NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17302 |
2c34   |
6794 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI (
(( segid " " and resid 92 and name HD2 ))
OR
(( segid " " and resid 92 and name HD1 ))
)(
(( segid " " and resid 92 and name HB2 ))
)
2.800 1.000 1.000 peak 3 weight 0.10000E+01 volume 0.65500E+00 ppm1 5.721 ppm2 2.219
ASSI (
(( segid " " and resid 92 and name HD2 ))
OR
(( segid " " and resid 92 and name HD1 ))
)(
(( segid " " and resid 92 and name HB3 ))
)
2.800 1.000 1.000 peak 4 weight 0.10000E+01 volume 0.62200E+00 ppm1 5.717 ppm2 -0.198
ASSI (
(( segid " " and resid 92 and name HE2 ))
OR
(( segid " " and resid 92 and name HE1 ))
)(
(( segid " " and resid 92 and name HD2 ))
OR
(( segid " " and resid 92 and name HD1 ))
)
2.400 0.700 0.700 peak 5 weight 0.10000E+01 volume 0.27410E+01 ppm1 6.093 ppm2 5.726
ASSI (
(( segid " " and resid 92 and name HE2 ))
OR
(( segid " " and resid 92 and name HE1 ))
)(
(( segid " " and resid 60 and name HA ))
OR
(( segid " " and resid 28 and name HA3 ))
)
3.500 1.500 1.500 peak 8 weight 0.10000E+01 volume 0.23900E+00 ppm1 6.090 ppm2 4.313
ASSI (
(( segid " " and resid 92 and name HE2 ))
OR
(( segid " " and resid 92 and name HE1 ))
)(
(( segid " " and resid 33 and name HA3 ))
OR
(( segid " " and resid 31 and name HA ))
OR
(( segid " " and resid 28 and name HA2 ))
)
3.300 1.400 1.400 peak 9 weight 0.10000E+01 volume 0.37700E+00 ppm1 6.088 ppm2 4.206
ASSI (
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)(
(( segid " " and resid 74 and name HA ))
OR
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 57 and name HA ))
)
3.400 1.400 1.400 peak 12 weight 0.10000E+01 volume 0.31400E+00 ppm1 6.163 ppm2 4.859
ASSI (
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)(
(( segid " " and resid 58 and name HA ))
)
2.900 1.100 1.100 peak 13 weight 0.10000E+01 volume 0.84800E+00 ppm1 6.166 ppm2 4.374
ASSI (
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)(
(( segid " " and resid 58 and name HB2 ))
)
2.600 0.800 0.800 peak 15 weight 0.10000E+01 volume 0.92600E+00 ppm1 6.162 ppm2 2.603
ASSI (
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)(
(( segid " " and resid 74 and name HB3 ))
OR
(( segid " " and resid 58 and name HB3 ))
)
2.700 0.900 0.900 peak 16 weight 0.10000E+01 volume 0.72500E+00 ppm1 6.158 ppm2 2.438
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
2.400 0.700 0.700 peak 19 weight 0.10000E+01 volume 0.27510E+01 ppm1 6.466 ppm2 6.163
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
2.100 0.600 0.600 peak 20 weight 0.10000E+01 volume 0.57440E+01 ppm1 6.488 ppm2 6.692
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 106 and name HB2 ))
OR
(( segid " " and resid 9 and name HB3 ))
)
3.000 1.100 1.100 peak 22 weight 0.10000E+01 volume 0.37200E+00 ppm1 6.486 ppm2 2.687
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 108 and name HB2 ))
OR
(( segid " " and resid 78 and name HB ))
OR
(( segid " " and resid 27 and name HB2 ))
OR
(( segid " " and resid 23 and name HG2 ))
OR
(( segid " " and resid 8 and name HB2 ))
)
3.000 1.100 1.100 peak 23 weight 0.10000E+01 volume 0.43000E+00 ppm1 6.492 ppm2 1.798
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
OR
(( segid " " and resid 12 and name HG2 ))
)
2.600 0.800 0.800 peak 24 weight 0.10000E+01 volume 0.91300E+00 ppm1 6.487 ppm2 1.254
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 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))
)
2.800 1.000 1.000 peak 25 weight 0.10000E+01 volume 0.11940E+01 ppm1 6.488 ppm2 0.857
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
3.200 1.300 1.300 peak 26 weight 0.10000E+01 volume 0.50900E+00 ppm1 6.486 ppm2 0.732
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 105 and name HD2 ))
OR
(( segid " " and resid 30 and name HD2 ))
)
3.000 1.100 1.100 peak 27 weight 0.10000E+01 volume 0.37700E+00 ppm1 6.476 ppm2 3.199
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 92 and name HA ))
OR
(( segid " " and resid 72 and name HA2 ))
OR
(( segid " " and resid 60 and name HA ))
OR
(( segid " " and resid 58 and name HA ))
)
3.000 1.100 1.100 peak 29 weight 0.10000E+01 volume 0.59400E+00 ppm1 6.465 ppm2 4.365
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 95 and name HD3 ))
OR
(( segid " " and resid 72 and name HA3 ))
OR
(( segid " " and resid 37 and name HB ))
)
2.900 1.100 1.100 peak 30 weight 0.10000E+01 volume 0.48700E+00 ppm1 6.467 ppm2 4.076
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 33 and name HA2 ))
OR
(( segid " " and resid 30 and name HD3 ))
)
3.200 1.300 1.300 peak 31 weight 0.10000E+01 volume 0.26800E+00 ppm1 6.466 ppm2 3.610
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 60 and name HB3 ))
)
3.000 1.100 1.100 peak 32 weight 0.10000E+01 volume 0.42600E+00 ppm1 6.470 ppm2 2.340
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
OR
(( segid " " and resid 36 and name HB3 ))
)
3.000 1.100 1.100 peak 33 weight 0.10000E+01 volume 0.44200E+00 ppm1 6.464 ppm2 2.000
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
3.500 1.500 1.500 peak 34 weight 0.10000E+01 volume 0.30700E+00 ppm1 6.483 ppm2 0.337
ASSI (
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
2.900 1.100 1.100 peak 35 weight 0.10000E+01 volume 0.10240E+01 ppm1 6.488 ppm2 0.532
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 73 and name H ))
OR
(( segid " " and resid 32 and name H ))
)
3.200 1.300 1.300 peak 37 weight 0.10000E+01 volume 0.25300E+00 ppm1 6.475 ppm2 7.765
ASSI (
(( segid " " and resid 34 and name HE2 ))
OR
(( segid " " and resid 34 and name HE1 ))
)(
(( segid " " and resid 34 and name HD2 ))
OR
(( segid " " and resid 34 and name HD1 ))
)
2.300 0.700 0.700 peak 39 weight 0.10000E+01 volume 0.34900E+01 ppm1 6.604 ppm2 6.351
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 10 and name HB2 ))
OR
(( segid " " and resid 8 and name HE3 ))
)
3.300 1.400 1.400 peak 49 weight 0.10000E+01 volume 0.22300E+00 ppm1 6.696 ppm2 3.005
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 10 and name HB3 ))
)
3.200 1.300 1.300 peak 50 weight 0.10000E+01 volume 0.25300E+00 ppm1 6.702 ppm2 2.858
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 106 and name HB2 ))
)
2.600 0.800 0.800 peak 51 weight 0.10000E+01 volume 0.10060E+01 ppm1 6.700 ppm2 2.674
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 90 and name HB3 ))
)
3.400 1.400 1.400 peak 53 weight 0.10000E+01 volume 0.19600E+00 ppm1 6.705 ppm2 2.228
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
OR
(( segid " " and resid 12 and name HG2 ))
)
3.100 1.200 1.200 peak 54 weight 0.10000E+01 volume 0.33100E+00 ppm1 6.707 ppm2 1.253
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
2.700 0.900 0.900 peak 55 weight 0.10000E+01 volume 0.14820E+01 ppm1 6.702 ppm2 0.552
ASSI (
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)
2.400 0.700 0.700 peak 58 weight 0.10000E+01 volume 0.27780E+01 ppm1 6.939 ppm2 7.190
ASSI (
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)(
(( segid " " and resid 74 and name HB2 ))
)
2.800 1.000 1.000 peak 60 weight 0.10000E+01 volume 0.63900E+00 ppm1 7.191 ppm2 2.761
ASSI (
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)(
(( segid " " and resid 36 and name HB3 ))
)
2.900 1.100 1.100 peak 61 weight 0.10000E+01 volume 0.52300E+00 ppm1 7.192 ppm2 1.953
ASSI (
(( segid " " and resid 36 and name HE3 ))
)(
(( segid " " and resid 92 and name HB2 ))
OR
(( segid " " and resid 90 and name HB3 ))
)
3.300 1.400 1.400 peak 64 weight 0.10000E+01 volume 0.22400E+00 ppm1 7.183 ppm2 2.244
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 41 and name HB2 ))
)
2.600 0.800 0.800 peak 71 weight 0.10000E+01 volume 0.10090E+01 ppm1 7.248 ppm2 2.972
ASSI (
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)(
(( segid " " and resid 96 and name H ))
)
3.000 1.100 1.100 peak 73 weight 0.10000E+01 volume 0.39200E+00 ppm1 7.162 ppm2 7.805
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
3.000 1.100 1.100 peak 74 weight 0.10000E+01 volume 0.43700E+00 ppm1 7.248 ppm2 8.625
ASSI (
(( segid " " and resid 36 and name HE3 ))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 36 and name HA ))
)
3.100 1.200 1.200 peak 77 weight 0.10000E+01 volume 0.51800E+00 ppm1 7.180 ppm2 5.171
ASSI (
(( segid " " and resid 86 and name HD2 ))
)(
(( segid " " and resid 82 and name HB2 ))
OR
(( segid " " and resid 80 and name HB2 ))
)
3.700 1.700 1.700 peak 89 weight 0.10000E+01 volume 0.11400E+00 ppm1 6.567 ppm2 1.971
ASSI (
(( segid " " and resid 86 and name HD2 ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)
2.800 1.000 1.000 peak 90 weight 0.10000E+01 volume 0.11610E+01 ppm1 6.574 ppm2 0.874
ASSI (
(( segid " " and resid 86 and name HD2 ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
3.400 1.400 1.400 peak 91 weight 0.10000E+01 volume 0.39800E+00 ppm1 6.573 ppm2 0.710
ASSI (
(( segid " " and resid 92 and name HE2 ))
OR
(( segid " " and resid 92 and name HE1 ))
)(
(( segid " " and resid 34 and name HB2 ))
)
2.800 1.000 1.000 peak 178 weight 0.10000E+01 volume 0.61700E+00 ppm1 6.094 ppm2 2.087
ASSI (
(( segid " " and resid 92 and name HE2 ))
OR
(( segid " " and resid 92 and name HE1 ))
)(
(( segid " " and resid 34 and name HB3 ))
)
3.500 1.500 1.500 peak 179 weight 0.10000E+01 volume 0.15500E+00 ppm1 6.091 ppm2 0.597
ASSI (
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)(
(( segid " " and resid 72 and name H ))
OR
(( segid " " and resid 35 and name H ))
OR
(( segid " " and resid 29 and name H ))
)
3.100 1.200 1.200 peak 181 weight 0.10000E+01 volume 0.34000E+00 ppm1 6.462 ppm2 8.269
ASSI (
(( segid " " and resid 25 and name HD2 ))
)(
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
3.200 1.300 1.300 peak 183 weight 0.10000E+01 volume 0.51900E+00 ppm1 6.899 ppm2 0.769
ASSI (
(( segid " " and resid 25 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))
OR
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)
3.200 1.300 1.300 peak 184 weight 0.10000E+01 volume 0.53500E+00 ppm1 6.896 ppm2 0.558
ASSI (
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)(
(( segid " " and resid 74 and name HB3 ))
OR
(( segid " " and resid 58 and name HB3 ))
OR
(( segid " " and resid 35 and name HG3 ))
)
2.900 1.100 1.100 peak 185 weight 0.10000E+01 volume 0.48500E+00 ppm1 6.940 ppm2 2.417
ASSI (
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)(
(( segid " " and resid 36 and name HB3 ))
OR
(( segid " " and resid 30 and name HB2 ))
)
3.000 1.100 1.100 peak 186 weight 0.10000E+01 volume 0.39400E+00 ppm1 6.947 ppm2 1.948
ASSI (
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)(
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 27 and name HA ))
)
2.900 1.100 1.100 peak 187 weight 0.10000E+01 volume 0.74900E+00 ppm1 6.936 ppm2 4.823
ASSI (
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)(
(( segid " " and resid 28 and name HA2 ))
)
3.000 1.100 1.100 peak 188 weight 0.10000E+01 volume 0.68500E+00 ppm1 6.934 ppm2 4.224
ASSI (
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)(
(( segid " " and resid 60 and name HA ))
OR
(( segid " " and resid 28 and name HA3 ))
)
3.200 1.300 1.300 peak 189 weight 0.10000E+01 volume 0.40400E+00 ppm1 6.940 ppm2 4.314
ASSI (
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
3.500 1.500 1.500 peak 191 weight 0.10000E+01 volume 0.30400E+00 ppm1 6.942 ppm2 6.143
ASSI (
(( segid " " and resid 36 and name HZ3 ))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 36 and name HA ))
)
3.700 1.700 1.700 peak 199 weight 0.10000E+01 volume 0.18300E+00 ppm1 6.567 ppm2 5.196
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 46 and name HB ))
OR
(( segid " " and resid 44 and name HB2 ))
)
3.200 1.300 1.300 peak 217 weight 0.10000E+01 volume 0.25700E+00 ppm1 7.247 ppm2 2.199
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 44 and name HD2 ))
)
3.400 1.400 1.400 peak 218 weight 0.10000E+01 volume 0.20700E+00 ppm1 7.260 ppm2 1.799
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 42 and name HB ))
OR
(( segid " " and resid 39 and name HB ))
OR
(( segid " " and resid 38 and name HG2 ))
)
3.000 1.100 1.100 peak 220 weight 0.10000E+01 volume 0.39600E+00 ppm1 7.248 ppm2 2.003
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 44 and name HD3 ))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.800 1.000 1.000 peak 221 weight 0.10000E+01 volume 0.62700E+00 ppm1 7.251 ppm2 1.643
ASSI (
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 99 and name HG13))
OR
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
OR
(( segid " " and resid 95 and name HG2 ))
)
2.900 1.100 1.100 peak 222 weight 0.10000E+01 volume 0.51100E+00 ppm1 7.250 ppm2 1.709
ASSI (
(( segid " " and resid 96 and name HE2 ))
OR
(( segid " " and resid 96 and name HE1 ))
OR
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 94 and name HB3 ))
OR
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
3.400 1.400 1.400 peak 223 weight 0.10000E+01 volume 0.35200E+00 ppm1 7.254 ppm2 0.902
ASSI (
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)(
(( segid " " and resid 74 and name H ))
)
3.000 1.100 1.100 peak 224 weight 0.10000E+01 volume 0.41500E+00 ppm1 7.192 ppm2 9.422
ASSI (
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)(
(( segid " " and resid 36 and name HD1 ))
)
3.100 1.200 1.200 peak 225 weight 0.10000E+01 volume 0.58300E+00 ppm1 7.186 ppm2 6.001
ASSI (
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)(
(( segid " " and resid 92 and name HD2 ))
OR
(( segid " " and resid 92 and name HD1 ))
)
4.000 2.000 2.000 peak 226 weight 0.10000E+01 volume 0.14000E+00 ppm1 7.191 ppm2 5.763
ASSI (
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)(
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 27 and name HA ))
)
2.700 0.900 0.900 peak 227 weight 0.10000E+01 volume 0.11020E+01 ppm1 7.189 ppm2 4.840
ASSI (
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
OR
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)
3.700 1.700 1.700 peak 230 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.195 ppm2 0.536
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 91 and name HB ))
OR
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 8 and name HB2 ))
)
3.200 1.300 1.300 peak 231 weight 0.10000E+01 volume 0.27800E+00 ppm1 6.714 ppm2 1.763
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 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))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
3.600 1.600 1.600 peak 232 weight 0.10000E+01 volume 0.24500E+00 ppm1 6.714 ppm2 0.787
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 107 and name H ))
OR
(( segid " " and resid 11 and name H ))
)
3.300 1.400 1.400 peak 233 weight 0.10000E+01 volume 0.25200E+00 ppm1 6.706 ppm2 7.966
ASSI (
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)(
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 10 and name HA ))
)
2.500 0.800 0.800 peak 234 weight 0.10000E+01 volume 0.18080E+01 ppm1 6.703 ppm2 4.726
ASSI (
(( segid " " and resid 34 and name HD2 ))
)(
(( segid " " and resid 94 and name H ))
OR
(( segid " " and resid 93 and name H ))
)
3.400 1.400 1.400 peak 236 weight 0.10000E+01 volume 0.20100E+00 ppm1 6.353 ppm2 8.225
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 89 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
2.900 1.100 1.100 peak 244 weight 0.10000E+01 volume 0.42800E+00 ppm1 5.671 ppm2 8.641
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
)
3.400 1.400 1.400 peak 246 weight 0.10000E+01 volume 0.30700E+00 ppm1 5.676 ppm2 0.541
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.400 0.700 0.700 peak 247 weight 0.10000E+01 volume 0.12050E+01 ppm1 5.669 ppm2 1.765
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
3.400 1.400 1.400 peak 250 weight 0.10000E+01 volume 0.29600E+00 ppm1 5.669 ppm2 0.896
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)
2.600 0.800 0.800 peak 251 weight 0.10000E+01 volume 0.16640E+01 ppm1 5.671 ppm2 0.683
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
OR
(( segid " " and resid 26 and name HB2 ))
)
3.100 1.200 1.200 peak 270 weight 0.10000E+01 volume 0.45200E+00 ppm1 5.560 ppm2 0.515
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)
2.600 0.800 0.800 peak 272 weight 0.10000E+01 volume 0.86400E+00 ppm1 5.505 ppm2 1.002
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
)
2.600 0.800 0.800 peak 282 weight 0.10000E+01 volume 0.15010E+01 ppm1 5.510 ppm2 0.802
ASSI (
(( segid " " and resid 15 and name HA ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 15 and name H ))
)
2.700 0.900 0.900 peak 285 weight 0.10000E+01 volume 0.62300E+00 ppm1 5.409 ppm2 8.748
ASSI (
(( segid " " and resid 15 and name HA ))
)(
(( segid " " and resid 15 and name HB3 ))
OR
(( segid " " and resid 15 and name HB2 ))
)
2.300 0.700 0.700 peak 287 weight 0.10000E+01 volume 0.18310E+01 ppm1 5.398 ppm2 2.701
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)
2.800 1.000 1.000 peak 291 weight 0.10000E+01 volume 0.52900E+00 ppm1 5.367 ppm2 3.171
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HB2 ))
)
2.300 0.700 0.700 peak 293 weight 0.10000E+01 volume 0.17930E+01 ppm1 5.369 ppm2 1.758
ASSI (
(( segid " " and resid 86 and name HA ))
OR
(( segid " " and resid 85 and name HA ))
)(
(( segid " " and resid 86 and name H ))
)
2.100 0.600 0.600 peak 297 weight 0.10000E+01 volume 0.27000E+01 ppm1 5.250 ppm2 8.783
ASSI (
(( segid " " and resid 85 and name HA ))
OR
(( segid " " and resid 23 and name HA ))
)(
(( segid " " and resid 84 and name H ))
OR
(( segid " " and resid 78 and name H ))
)
3.500 1.500 1.500 peak 298 weight 0.10000E+01 volume 0.12500E+00 ppm1 5.264 ppm2 8.986
ASSI (
(( segid " " and resid 86 and name HA ))
OR
(( segid " " and resid 85 and name HA ))
)(
(( segid " " and resid 86 and name HB2 ))
)
2.500 0.800 0.800 peak 301 weight 0.10000E+01 volume 0.91700E+00 ppm1 5.275 ppm2 2.516
ASSI (
(( segid " " and resid 23 and name HA ))
)(
(( segid " " and resid 23 and name HG2 ))
OR
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)
2.200 0.600 0.600 peak 303 weight 0.10000E+01 volume 0.19320E+01 ppm1 5.287 ppm2 1.783
ASSI (
(( segid " " and resid 23 and name HA ))
)(
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.600 0.800 0.800 peak 306 weight 0.10000E+01 volume 0.14540E+01 ppm1 5.285 ppm2 0.734
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
3.000 1.100 1.100 peak 310 weight 0.10000E+01 volume 0.33300E+00 ppm1 5.147 ppm2 2.012
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.600 0.800 0.800 peak 311 weight 0.10000E+01 volume 0.72700E+00 ppm1 5.153 ppm2 1.768
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)
2.600 0.800 0.800 peak 315 weight 0.10000E+01 volume 0.15640E+01 ppm1 5.150 ppm2 0.661
ASSI (
(( segid " " and resid 56 and name HA ))
)(
(( segid " " and resid 76 and name H ))
OR
(( segid " " and resid 56 and name H ))
)
3.000 1.100 1.100 peak 319 weight 0.10000E+01 volume 0.31700E+00 ppm1 5.352 ppm2 9.168
ASSI (
(( segid " " and resid 91 and name HA ))
)(
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 91 and name HB ))
OR
(( segid " " and resid 90 and name HB2 ))
)
2.400 0.700 0.700 peak 329 weight 0.10000E+01 volume 0.12960E+01 ppm1 5.191 ppm2 1.785
ASSI (
(( segid " " and resid 91 and name HA ))
)(
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)
2.500 0.800 0.800 peak 331 weight 0.10000E+01 volume 0.20110E+01 ppm1 5.191 ppm2 0.909
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))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
2.400 0.700 0.700 peak 333 weight 0.10000E+01 volume 0.23030E+01 ppm1 5.080 ppm2 0.785
ASSI (
(( segid " " and resid 77 and name HA ))
)(
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.600 0.800 0.800 peak 344 weight 0.10000E+01 volume 0.15080E+01 ppm1 5.027 ppm2 0.731
ASSI (
(( segid " " and resid 110 and name HA ))
)(
(( segid " " and resid 111 and name H ))
OR
(( segid " " and resid 110 and name H ))
)
2.200 0.600 0.600 peak 345 weight 0.10000E+01 volume 0.21310E+01 ppm1 4.961 ppm2 9.105
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 83 and name HB3 ))
)
2.400 0.700 0.700 peak 348 weight 0.10000E+01 volume 0.14490E+01 ppm1 3.952 ppm2 1.742
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
)
2.600 0.800 0.800 peak 350 weight 0.10000E+01 volume 0.16170E+01 ppm1 3.948 ppm2 0.810
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 34 and name HD2 ))
OR
(( segid " " and resid 34 and name HD1 ))
)
3.100 1.200 1.200 peak 356 weight 0.10000E+01 volume 0.49300E+00 ppm1 3.999 ppm2 6.341
ASSI (
(( segid " " and resid 53 and name HB3 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
OR
(( segid " " and resid 79 and name HB2 ))
)
2.300 0.700 0.700 peak 374 weight 0.10000E+01 volume 0.10890E+01 ppm1 2.169 ppm2 1.599
ASSI (
(( segid " " and resid 53 and name HB2 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
OR
(( segid " " and resid 79 and name HB3 ))
)
2.500 0.800 0.800 peak 375 weight 0.10000E+01 volume 0.72900E+00 ppm1 1.926 ppm2 1.588
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
2.400 0.700 0.700 peak 387 weight 0.10000E+01 volume 0.31680E+01 ppm1 -1.039 ppm2 0.550
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 26 and name HB3 ))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
2.300 0.700 0.700 peak 388 weight 0.10000E+01 volume 0.22350E+01 ppm1 -1.038 ppm2 0.354
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
3.900 1.900 1.900 peak 389 weight 0.10000E+01 volume 0.17700E+00 ppm1 -1.036 ppm2 0.728
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 88 and name HG ))
OR
(( segid " " and resid 24 and name HB ))
)
3.600 1.600 1.600 peak 390 weight 0.10000E+01 volume 0.14100E+00 ppm1 -1.036 ppm2 1.348
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 90 and name HB3 ))
)
3.600 1.600 1.600 peak 391 weight 0.10000E+01 volume 0.14700E+00 ppm1 -1.041 ppm2 2.277
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 57 and name HB3 ))
OR
(( segid " " and resid 38 and name HG2 ))
OR
(( segid " " and resid 27 and name HD3 ))
OR
(( segid " " and resid 27 and name HD2 ))
)
3.300 1.400 1.400 peak 392 weight 0.10000E+01 volume 0.26300E+00 ppm1 -1.035 ppm2 1.733
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 74 and name HB2 ))
)
3.400 1.400 1.400 peak 393 weight 0.10000E+01 volume 0.21400E+00 ppm1 -1.045 ppm2 2.758
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 36 and name HB2 ))
)
3.400 1.400 1.400 peak 394 weight 0.10000E+01 volume 0.20500E+00 ppm1 -1.044 ppm2 2.614
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 26 and name HA ))
)
3.800 1.800 1.800 peak 397 weight 0.10000E+01 volume 0.16600E+00 ppm1 -1.036 ppm2 4.489
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 74 and name HA ))
OR
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 57 and name HA ))
OR
(( segid " " and resid 27 and name HA ))
)
4.000 2.000 2.000 peak 398 weight 0.10000E+01 volume 0.11800E+00 ppm1 -1.043 ppm2 4.843
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
3.700 1.700 1.700 peak 399 weight 0.10000E+01 volume 0.21600E+00 ppm1 -1.037 ppm2 6.716
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
OR
(( segid " " and resid 36 and name HE3 ))
)
3.700 1.700 1.700 peak 400 weight 0.10000E+01 volume 0.21400E+00 ppm1 -1.036 ppm2 7.189
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 26 and name H ))
)
3.700 1.700 1.700 peak 402 weight 0.10000E+01 volume 0.11700E+00 ppm1 -1.045 ppm2 8.921
ASSI (
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 76 and name H ))
OR
(( segid " " and resid 36 and name HE1 ))
)
3.500 1.500 1.500 peak 403 weight 0.10000E+01 volume 0.19700E+00 ppm1 -1.040 ppm2 9.227
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
2.600 0.800 0.800 peak 404 weight 0.10000E+01 volume 0.20620E+01 ppm1 -0.350 ppm2 -1.044
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 24 and name HG13))
)
3.400 1.400 1.400 peak 405 weight 0.10000E+01 volume 0.20600E+00 ppm1 -0.347 ppm2 0.914
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 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))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
3.600 1.600 1.600 peak 406 weight 0.10000E+01 volume 0.25500E+00 ppm1 -0.352 ppm2 0.749
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 26 and name HG ))
OR
(( segid " " and resid 26 and name HB2 ))
)
2.200 0.600 0.600 peak 407 weight 0.10000E+01 volume 0.24500E+01 ppm1 -0.350 ppm2 0.461
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 26 and name HB3 ))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
2.400 0.700 0.700 peak 408 weight 0.10000E+01 volume 0.29280E+01 ppm1 -0.350 ppm2 0.338
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 27 and name HD3 ))
OR
(( segid " " and resid 27 and name HD2 ))
OR
(( segid " " and resid 12 and name HD3 ))
OR
(( segid " " and resid 12 and name HD2 ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
OR
(( segid " " and resid 8 and name HD3 ))
OR
(( segid " " and resid 8 and name HD2 ))
)
3.700 1.700 1.700 peak 410 weight 0.10000E+01 volume 0.12000E+00 ppm1 -0.351 ppm2 1.732
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 24 and name HB ))
)
3.500 1.500 1.500 peak 411 weight 0.10000E+01 volume 0.17000E+00 ppm1 -0.352 ppm2 1.372
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 106 and name HB2 ))
OR
(( segid " " and resid 9 and name HB3 ))
)
3.000 1.100 1.100 peak 412 weight 0.10000E+01 volume 0.45900E+00 ppm1 -0.353 ppm2 2.702
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 106 and name HB3 ))
)
3.200 1.300 1.300 peak 413 weight 0.10000E+01 volume 0.28400E+00 ppm1 -0.351 ppm2 2.541
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 36 and name HZ2 ))
)
3.900 1.900 1.900 peak 415 weight 0.10000E+01 volume 0.17100E+00 ppm1 -0.350 ppm2 7.104
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
3.100 1.200 1.200 peak 416 weight 0.10000E+01 volume 0.67700E+00 ppm1 -0.350 ppm2 6.709
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)
3.500 1.500 1.500 peak 417 weight 0.10000E+01 volume 0.31000E+00 ppm1 -0.350 ppm2 6.500
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 36 and name HE1 ))
OR
(( segid " " and resid 24 and name H ))
)
3.800 1.800 1.800 peak 418 weight 0.10000E+01 volume 0.13300E+00 ppm1 -0.350 ppm2 9.253
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 26 and name H ))
)
3.300 1.400 1.400 peak 419 weight 0.10000E+01 volume 0.23700E+00 ppm1 -0.358 ppm2 8.926
ASSI (
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)(
(( segid " " and resid 27 and name H ))
OR
(( segid " " and resid 25 and name H ))
)
2.800 1.000 1.000 peak 420 weight 0.10000E+01 volume 0.62500E+00 ppm1 -0.350 ppm2 8.717
ASSI (
(( segid " " and resid 92 and name HB3 ))
)(
(( segid " " and resid 104 and name HB3 ))
OR
(( segid " " and resid 104 and name HB2 ))
)
2.900 1.100 1.100 peak 422 weight 0.10000E+01 volume 0.28100E+00 ppm1 -0.203 ppm2 2.011
ASSI (
(( segid " " and resid 92 and name HB3 ))
)(
(( segid " " and resid 104 and name H ))
OR
(( segid " " and resid 36 and name HE1 ))
)
3.100 1.200 1.200 peak 427 weight 0.10000E+01 volume 0.19300E+00 ppm1 -0.211 ppm2 9.201
ASSI (
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
OR
(( segid " " and resid 79 and name HB3 ))
OR
(( segid " " and resid 54 and name HB ))
)
2.500 0.800 0.800 peak 430 weight 0.10000E+01 volume 0.65200E+00 ppm1 2.214 ppm2 1.570
ASSI (
(( segid " " and resid 92 and name HB2 ))
OR
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( 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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
3.200 1.300 1.300 peak 431 weight 0.10000E+01 volume 0.27900E+00 ppm1 2.210 ppm2 0.946
ASSI (
(( segid " " and resid 92 and name HB2 ))
OR
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 103 and name HB3 ))
OR
(( segid " " and resid 81 and name HD3 ))
)
3.200 1.300 1.300 peak 432 weight 0.10000E+01 volume 0.15700E+00 ppm1 2.215 ppm2 3.069
ASSI (
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 54 and name H ))
OR
(( segid " " and resid 53 and name H ))
)
2.500 0.800 0.800 peak 436 weight 0.10000E+01 volume 0.64100E+00 ppm1 2.215 ppm2 8.442
ASSI (
(( segid " " and resid 26 and name HG ))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
2.600 0.800 0.800 peak 455 weight 0.10000E+01 volume 0.91400E+00 ppm1 0.429 ppm2 -0.357
ASSI (
(( segid " " and resid 26 and name HG ))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
2.600 0.800 0.800 peak 456 weight 0.10000E+01 volume 0.11250E+01 ppm1 0.433 ppm2 -1.046
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
3.000 1.100 1.100 peak 459 weight 0.10000E+01 volume 0.90900E+00 ppm1 0.324 ppm2 -0.351
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
3.100 1.200 1.200 peak 460 weight 0.10000E+01 volume 0.63600E+00 ppm1 0.324 ppm2 -1.046
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 24 and name HA ))
)
2.900 1.100 1.100 peak 461 weight 0.10000E+01 volume 0.87900E+00 ppm1 0.325 ppm2 4.175
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
)(
(( segid " " and resid 86 and name HB3 ))
OR
(( segid " " and resid 25 and name HB3 ))
)
3.000 1.100 1.100 peak 464 weight 0.10000E+01 volume 0.43400E+00 ppm1 0.296 ppm2 3.124
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
OR
(( segid " " and resid 12 and name HE3 ))
OR
(( segid " " and resid 12 and name HE2 ))
)
3.400 1.400 1.400 peak 465 weight 0.10000E+01 volume 0.22000E+00 ppm1 0.304 ppm2 2.964
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 106 and name HB3 ))
OR
(( segid " " and resid 86 and name HB2 ))
)
3.200 1.300 1.300 peak 466 weight 0.10000E+01 volume 0.29400E+00 ppm1 0.297 ppm2 2.510
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 82 and name HB2 ))
OR
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 80 and name HB2 ))
)
3.100 1.200 1.200 peak 467 weight 0.10000E+01 volume 0.35000E+00 ppm1 0.298 ppm2 1.974
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 24 and name HB ))
)
2.500 0.800 0.800 peak 468 weight 0.10000E+01 volume 0.12970E+01 ppm1 0.328 ppm2 1.362
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 24 and name HG12))
OR
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)
2.600 0.800 0.800 peak 469 weight 0.10000E+01 volume 0.96100E+00 ppm1 0.327 ppm2 1.121
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 51 and name HG12))
OR
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)
2.700 0.900 0.900 peak 470 weight 0.10000E+01 volume 0.75900E+00 ppm1 0.296 ppm2 1.078
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)(
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
OR
(( segid " " and resid 82 and name HB3 ))
OR
(( segid " " and resid 52 and name HG ))
OR
(( segid " " and resid 51 and name HG13))
)
2.200 0.600 0.600 peak 471 weight 0.10000E+01 volume 0.26780E+01 ppm1 0.296 ppm2 1.481
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)(
(( segid " " and resid 82 and name HD2 ))
OR
(( segid " " and resid 51 and name HB ))
)
2.400 0.700 0.700 peak 472 weight 0.10000E+01 volume 0.16270E+01 ppm1 0.296 ppm2 1.757
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 24 and name HG13))
)
2.500 0.800 0.800 peak 474 weight 0.10000E+01 volume 0.11660E+01 ppm1 0.327 ppm2 0.907
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
OR
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
2.400 0.700 0.700 peak 475 weight 0.10000E+01 volume 0.28790E+01 ppm1 0.297 ppm2 0.733
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 26 and name HB2 ))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
2.500 0.800 0.800 peak 476 weight 0.10000E+01 volume 0.24020E+01 ppm1 0.326 ppm2 0.510
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)(
(( segid " " and resid 52 and name HA ))
)
3.600 1.600 1.600 peak 478 weight 0.10000E+01 volume 0.22300E+00 ppm1 0.297 ppm2 4.633
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
3.700 1.700 1.700 peak 479 weight 0.10000E+01 volume 0.22200E+00 ppm1 0.334 ppm2 6.697
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 86 and name HD2 ))
OR
(( segid " " and resid 36 and name HZ3 ))
)
4.200 2.200 1.800 peak 481 weight 0.10000E+01 volume 0.10500E+00 ppm1 0.291 ppm2 6.587
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)(
(( segid " " and resid 51 and name H ))
)
3.200 1.300 1.300 peak 482 weight 0.10000E+01 volume 0.27100E+00 ppm1 0.296 ppm2 7.591
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)(
(( segid " " and resid 82 and name H ))
)
3.300 1.400 1.400 peak 483 weight 0.10000E+01 volume 0.22100E+00 ppm1 0.298 ppm2 7.410
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)
4.200 2.200 1.800 peak 484 weight 0.10000E+01 volume 0.11100E+00 ppm1 0.308 ppm2 7.225
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)(
(( segid " " and resid 52 and name H ))
)
3.100 1.200 1.200 peak 486 weight 0.10000E+01 volume 0.34400E+00 ppm1 0.296 ppm2 8.283
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 27 and name H ))
OR
(( segid " " and resid 25 and name H ))
)
2.700 0.900 0.900 peak 488 weight 0.10000E+01 volume 0.79400E+00 ppm1 0.326 ppm2 8.738
ASSI (
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 24 and name H ))
)
3.100 1.200 1.200 peak 489 weight 0.10000E+01 volume 0.33900E+00 ppm1 0.323 ppm2 9.277
ASSI (
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 49 and name H ))
OR
(( segid " " and resid 26 and name H ))
)
3.500 1.500 1.500 peak 490 weight 0.10000E+01 volume 0.18100E+00 ppm1 0.324 ppm2 8.939
ASSI (
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)(
(( segid " " and resid 84 and name H ))
OR
(( segid " " and resid 81 and name H ))
OR
(( segid " " and resid 78 and name H ))
)
3.500 1.500 1.500 peak 491 weight 0.10000E+01 volume 0.17900E+00 ppm1 0.297 ppm2 8.983
ASSI (
(( segid " " and resid 26 and name HB2 ))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
3.100 1.200 1.200 peak 492 weight 0.10000E+01 volume 0.37600E+00 ppm1 0.489 ppm2 -0.345
ASSI (
(( segid " " and resid 26 and name HB3 ))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
2.900 1.100 1.100 peak 493 weight 0.10000E+01 volume 0.54700E+00 ppm1 0.357 ppm2 -0.350
ASSI (
(( segid " " and resid 26 and name HB2 ))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
2.900 1.100 1.100 peak 495 weight 0.10000E+01 volume 0.51500E+00 ppm1 0.486 ppm2 -1.036
ASSI (
(( segid " " and resid 26 and name HB3 ))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
3.000 1.100 1.100 peak 496 weight 0.10000E+01 volume 0.44800E+00 ppm1 0.356 ppm2 -1.025
ASSI (
(( segid " " and resid 34 and name HB3 ))
)(
(( segid " " and resid 34 and name HD2 ))
OR
(( segid " " and resid 34 and name HD1 ))
)
2.800 1.000 1.000 peak 511 weight 0.10000E+01 volume 0.56200E+00 ppm1 0.587 ppm2 6.331
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name HE2 ))
OR
(( segid " " and resid 34 and name HE1 ))
)
4.000 2.000 2.000 peak 514 weight 0.10000E+01 volume 0.77000E-01 ppm1 2.062 ppm2 6.592
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name HD2 ))
OR
(( segid " " and resid 34 and name HD1 ))
)
2.600 0.800 0.800 peak 515 weight 0.10000E+01 volume 0.92000E+00 ppm1 2.066 ppm2 6.343
ASSI (
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)(
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)
2.500 0.800 0.800 peak 518 weight 0.10000E+01 volume 0.24370E+01 ppm1 0.475 ppm2 0.670
ASSI (
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
)
2.700 0.900 0.900 peak 519 weight 0.10000E+01 volume 0.76100E+00 ppm1 0.476 ppm2 1.995
ASSI (
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)(
(( segid " " and resid 107 and name HA ))
)
2.700 0.900 0.900 peak 523 weight 0.10000E+01 volume 0.12640E+01 ppm1 0.476 ppm2 4.983
ASSI (
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)(
(( segid " " and resid 108 and name HA ))
OR
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 10 and name HA ))
)
3.500 1.500 1.500 peak 525 weight 0.10000E+01 volume 0.26100E+00 ppm1 0.475 ppm2 4.723
ASSI (
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)(
(( segid " " and resid 109 and name H ))
OR
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
)
3.000 1.100 1.100 peak 526 weight 0.10000E+01 volume 0.41200E+00 ppm1 0.476 ppm2 9.202
ASSI (
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)(
(( segid " " and resid 108 and name H ))
)
2.800 1.000 1.000 peak 527 weight 0.10000E+01 volume 0.68400E+00 ppm1 0.475 ppm2 8.723
ASSI (
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)(
(( segid " " and resid 107 and name H ))
)
3.200 1.300 1.300 peak 529 weight 0.10000E+01 volume 0.30000E+00 ppm1 0.477 ppm2 7.959
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( 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 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
2.800 1.000 1.000 peak 530 weight 0.10000E+01 volume 0.12150E+01 ppm1 0.556 ppm2 -1.047
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( 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 56 and name HB2 ))
OR
(( segid " " and resid 38 and name HD3 ))
OR
(( segid " " and resid 38 and name HD2 ))
)
2.500 0.800 0.800 peak 531 weight 0.10000E+01 volume 0.12890E+01 ppm1 0.554 ppm2 2.383
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 88 and name HG ))
OR
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
OR
(( segid " " and resid 24 and name HB ))
)
2.500 0.800 0.800 peak 533 weight 0.10000E+01 volume 0.11380E+01 ppm1 0.556 ppm2 1.354
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 55 and name HA ))
)
2.500 0.800 0.800 peak 534 weight 0.10000E+01 volume 0.17920E+01 ppm1 0.552 ppm2 4.293
ASSI (
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)(
(( segid " " and resid 54 and name HA ))
)
2.600 0.800 0.800 peak 535 weight 0.10000E+01 volume 0.16170E+01 ppm1 0.532 ppm2 4.837
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( 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 ))
)
2.300 0.700 0.700 peak 536 weight 0.10000E+01 volume 0.29880E+01 ppm1 0.563 ppm2 4.926
ASSI (
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 59 and name HB ))
)
3.100 1.200 1.200 peak 537 weight 0.10000E+01 volume 0.35700E+00 ppm1 0.552 ppm2 3.744
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 23 and name HG3 ))
)
2.900 1.100 1.100 peak 538 weight 0.10000E+01 volume 0.52200E+00 ppm1 0.551 ppm2 2.048
ASSI (
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 75 and name HB ))
)
2.200 0.600 0.600 peak 539 weight 0.10000E+01 volume 0.29200E+01 ppm1 0.552 ppm2 1.873
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 57 and name HB3 ))
)
2.000 0.500 0.500 peak 540 weight 0.10000E+01 volume 0.44710E+01 ppm1 0.562 ppm2 1.720
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( 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 56 and name HB3 ))
)
2.800 1.000 1.000 peak 541 weight 0.10000E+01 volume 0.64000E+00 ppm1 0.573 ppm2 2.985
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 74 and name HB2 ))
OR
(( segid " " and resid 25 and name HB2 ))
)
3.100 1.200 1.200 peak 543 weight 0.10000E+01 volume 0.36800E+00 ppm1 0.554 ppm2 2.778
ASSI (
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 25 and name HD2 ))
)
3.400 1.400 1.400 peak 544 weight 0.10000E+01 volume 0.40600E+00 ppm1 0.551 ppm2 6.893
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( 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 36 and name HZ3 ))
)
4.200 2.200 1.800 peak 545 weight 0.10000E+01 volume 0.98000E-01 ppm1 0.546 ppm2 6.535
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( 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 H ))
OR
(( segid " " and resid 26 and name H ))
)
2.700 0.900 0.900 peak 546 weight 0.10000E+01 volume 0.87100E+00 ppm1 0.582 ppm2 8.929
ASSI (
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)(
(( segid " " and resid 55 and name H ))
)
2.700 0.900 0.900 peak 547 weight 0.10000E+01 volume 0.84700E+00 ppm1 0.531 ppm2 8.614
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 55 and name H ))
)
3.200 1.300 1.300 peak 548 weight 0.10000E+01 volume 0.26900E+00 ppm1 0.580 ppm2 8.601
ASSI (
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
OR
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)(
(( segid " " and resid 59 and name H ))
OR
(( segid " " and resid 54 and name H ))
OR
(( segid " " and resid 53 and name H ))
)
3.300 1.400 1.400 peak 549 weight 0.10000E+01 volume 0.22900E+00 ppm1 0.536 ppm2 8.453
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
)(
(( segid " " and resid 76 and name H ))
)
2.300 0.700 0.700 peak 550 weight 0.10000E+01 volume 0.18690E+01 ppm1 0.554 ppm2 9.201
ASSI (
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 75 and name H ))
)
2.300 0.700 0.700 peak 551 weight 0.10000E+01 volume 0.19740E+01 ppm1 0.555 ppm2 8.874
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( 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 56 and name HA ))
)
2.700 0.900 0.900 peak 552 weight 0.10000E+01 volume 0.12240E+01 ppm1 0.560 ppm2 5.345
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 25 and name HA ))
)
3.300 1.400 1.400 peak 554 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.553 ppm2 5.569
ASSI (
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)(
(( segid " " and resid 77 and name HB3 ))
OR
(( segid " " and resid 73 and name HG13))
OR
(( segid " " and resid 38 and name HB3 ))
)
2.800 1.000 1.000 peak 555 weight 0.10000E+01 volume 0.58300E+00 ppm1 0.548 ppm2 1.180
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 54 and name HB ))
OR
(( segid " " and resid 52 and name HB2 ))
)
2.100 0.600 0.600 peak 558 weight 0.10000E+01 volume 0.33490E+01 ppm1 0.616 ppm2 1.570
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)(
(( segid " " and resid 90 and name HG ))
)
2.300 0.700 0.700 peak 559 weight 0.10000E+01 volume 0.18760E+01 ppm1 0.661 ppm2 1.560
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 51 and name HG12))
OR
(( segid " " and resid 47 and name HB2 ))
)
2.900 1.100 1.100 peak 560 weight 0.10000E+01 volume 0.50200E+00 ppm1 0.616 ppm2 1.091
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 38 and name HD3 ))
OR
(( segid " " and resid 38 and name HD2 ))
)
2.700 0.900 0.900 peak 561 weight 0.10000E+01 volume 0.86200E+00 ppm1 0.616 ppm2 2.386
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 78 and name HA ))
)
3.400 1.400 1.400 peak 562 weight 0.10000E+01 volume 0.29500E+00 ppm1 0.613 ppm2 5.083
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 54 and name HA ))
)
2.800 1.000 1.000 peak 563 weight 0.10000E+01 volume 0.10890E+01 ppm1 0.615 ppm2 4.835
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 53 and name HA ))
OR
(( segid " " and resid 48 and name HA ))
)
3.100 1.200 1.200 peak 564 weight 0.10000E+01 volume 0.54700E+00 ppm1 0.614 ppm2 4.573
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 79 and name H ))
OR
(( segid " " and resid 57 and name H ))
)
3.400 1.400 1.400 peak 566 weight 0.10000E+01 volume 0.19000E+00 ppm1 0.616 ppm2 9.056
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 77 and name H ))
OR
(( segid " " and resid 49 and name H ))
)
3.300 1.400 1.400 peak 567 weight 0.10000E+01 volume 0.23500E+00 ppm1 0.615 ppm2 8.901
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 55 and name H ))
)
3.200 1.300 1.300 peak 568 weight 0.10000E+01 volume 0.31600E+00 ppm1 0.618 ppm2 8.614
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 54 and name H ))
)
2.900 1.100 1.100 peak 569 weight 0.10000E+01 volume 0.52000E+00 ppm1 0.615 ppm2 8.447
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 52 and name H ))
)
3.700 1.700 1.700 peak 570 weight 0.10000E+01 volume 0.11300E+00 ppm1 0.610 ppm2 8.276
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 89 and name HG3 ))
OR
(( segid " " and resid 80 and name HB3 ))
OR
(( segid " " and resid 53 and name HG2 ))
OR
(( segid " " and resid 53 and name HB3 ))
OR
(( segid " " and resid 46 and name HB ))
)
3.400 1.400 1.400 peak 572 weight 0.10000E+01 volume 0.18500E+00 ppm1 0.615 ppm2 2.176
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 53 and name HG3 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
3.300 1.400 1.400 peak 573 weight 0.10000E+01 volume 0.24800E+00 ppm1 0.617 ppm2 1.969
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 80 and name HG2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 51 and name HB ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.900 1.100 1.100 peak 574 weight 0.10000E+01 volume 0.55300E+00 ppm1 0.618 ppm2 1.765
ASSI (
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)(
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 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))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
2.200 0.600 0.600 peak 575 weight 0.10000E+01 volume 0.51740E+01 ppm1 0.615 ppm2 0.786
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
OR
(( segid " " and resid 37 and name HG22))
)
2.200 0.600 0.600 peak 576 weight 0.10000E+01 volume 0.32780E+01 ppm1 0.649 ppm2 1.018
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG21))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.500 0.800 0.800 peak 577 weight 0.10000E+01 volume 0.24960E+01 ppm1 0.648 ppm2 0.836
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 95 and name HG3 ))
OR
(( segid " " and resid 35 and name HG2 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
2.800 1.000 1.000 peak 578 weight 0.10000E+01 volume 0.62200E+00 ppm1 0.648 ppm2 2.160
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 95 and name HB3 ))
OR
(( segid " " and resid 42 and name HB ))
)
2.200 0.600 0.600 peak 579 weight 0.10000E+01 volume 0.24540E+01 ppm1 0.648 ppm2 2.080
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 95 and name HB2 ))
OR
(( segid " " and resid 35 and name HB2 ))
)
3.200 1.300 1.300 peak 580 weight 0.10000E+01 volume 0.27400E+00 ppm1 0.651 ppm2 1.873
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 99 and name HG13))
OR
(( segid " " and resid 95 and name HG2 ))
)
2.800 1.000 1.000 peak 581 weight 0.10000E+01 volume 0.62600E+00 ppm1 0.650 ppm2 1.709
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 95 and name HD3 ))
OR
(( segid " " and resid 37 and name HB ))
)
2.900 1.100 1.100 peak 583 weight 0.10000E+01 volume 0.56100E+00 ppm1 0.648 ppm2 4.038
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 95 and name HD2 ))
)
2.800 1.000 1.000 peak 584 weight 0.10000E+01 volume 0.70800E+00 ppm1 0.648 ppm2 3.783
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 95 and name HA ))
)
3.300 1.400 1.400 peak 585 weight 0.10000E+01 volume 0.38700E+00 ppm1 0.652 ppm2 3.856
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 96 and name HA ))
OR
(( segid " " and resid 92 and name HA ))
)
3.600 1.600 1.600 peak 586 weight 0.10000E+01 volume 0.20500E+00 ppm1 0.647 ppm2 4.364
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 94 and name HA ))
)
3.300 1.400 1.400 peak 587 weight 0.10000E+01 volume 0.34700E+00 ppm1 0.651 ppm2 4.740
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 93 and name HA ))
OR
(( segid " " and resid 35 and name HA ))
)
3.400 1.400 1.400 peak 588 weight 0.10000E+01 volume 0.30100E+00 ppm1 0.650 ppm2 4.569
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
OR
(( segid " " and resid 36 and name HA ))
)
4.000 2.000 2.000 peak 589 weight 0.10000E+01 volume 0.12500E+00 ppm1 0.656 ppm2 5.167
ASSI (
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)(
(( segid " " and resid 94 and name H ))
OR
(( segid " " and resid 93 and name H ))
)
2.500 0.800 0.800 peak 590 weight 0.10000E+01 volume 0.13010E+01 ppm1 0.648 ppm2 8.200
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)
2.500 0.800 0.800 peak 591 weight 0.10000E+01 volume 0.25630E+01 ppm1 0.660 ppm2 0.508
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 73 and name HG12))
OR
(( segid " " and resid 59 and name HG23))
OR
(( segid " " and resid 59 and name HG22))
OR
(( segid " " and resid 59 and name HG21))
)
2.600 0.800 0.800 peak 592 weight 0.10000E+01 volume 0.10060E+01 ppm1 0.659 ppm2 0.955
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 73 and name HB ))
)
2.400 0.700 0.700 peak 596 weight 0.10000E+01 volume 0.18400E+01 ppm1 0.662 ppm2 1.577
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 27 and name HD3 ))
OR
(( segid " " and resid 27 and name HD2 ))
OR
(( segid " " and resid 23 and name HG2 ))
)
3.600 1.600 1.600 peak 597 weight 0.10000E+01 volume 0.15500E+00 ppm1 0.658 ppm2 1.761
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 75 and name HB ))
OR
(( segid " " and resid 27 and name HB2 ))
)
3.300 1.400 1.400 peak 598 weight 0.10000E+01 volume 0.23700E+00 ppm1 0.662 ppm2 1.900
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 30 and name HD2 ))
OR
(( segid " " and resid 25 and name HB3 ))
)
3.000 1.100 1.100 peak 599 weight 0.10000E+01 volume 0.41500E+00 ppm1 0.661 ppm2 3.147
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 74 and name HB2 ))
OR
(( segid " " and resid 25 and name HB2 ))
)
2.800 1.000 1.000 peak 600 weight 0.10000E+01 volume 0.60000E+00 ppm1 0.661 ppm2 2.744
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 73 and name HA ))
)
2.700 0.900 0.900 peak 601 weight 0.10000E+01 volume 0.13560E+01 ppm1 0.662 ppm2 4.833
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 59 and name HA ))
OR
(( segid " " and resid 26 and name HA ))
)
4.000 2.000 2.000 peak 602 weight 0.10000E+01 volume 0.11000E+00 ppm1 0.663 ppm2 4.444
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 60 and name HA ))
)
3.700 1.700 1.700 peak 603 weight 0.10000E+01 volume 0.19000E+00 ppm1 0.660 ppm2 4.325
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 25 and name HA ))
)
3.400 1.400 1.400 peak 604 weight 0.10000E+01 volume 0.29700E+00 ppm1 0.660 ppm2 5.563
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 74 and name H ))
)
3.200 1.300 1.300 peak 605 weight 0.10000E+01 volume 0.30900E+00 ppm1 0.661 ppm2 9.427
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 26 and name H ))
)
3.100 1.200 1.200 peak 606 weight 0.10000E+01 volume 0.33700E+00 ppm1 0.662 ppm2 8.910
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 73 and name H ))
)
3.400 1.400 1.400 peak 608 weight 0.10000E+01 volume 0.21100E+00 ppm1 0.662 ppm2 7.769
ASSI (
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)(
(( segid " " and resid 27 and name H ))
OR
(( segid " " and resid 25 and name H ))
)
3.800 1.800 1.800 peak 609 weight 0.10000E+01 volume 0.10200E+00 ppm1 0.665 ppm2 8.738
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
2.300 0.700 0.700 peak 611 weight 0.10000E+01 volume 0.29470E+01 ppm1 0.738 ppm2 1.029
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
2.100 0.600 0.600 peak 612 weight 0.10000E+01 volume 0.61350E+01 ppm1 0.739 ppm2 0.905
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 38 and name HB3 ))
)
3.600 1.600 1.600 peak 614 weight 0.10000E+01 volume 0.13800E+00 ppm1 0.740 ppm2 1.219
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 91 and name HB ))
)
2.200 0.600 0.600 peak 615 weight 0.10000E+01 volume 0.27460E+01 ppm1 0.739 ppm2 1.787
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 95 and name HG3 ))
OR
(( segid " " and resid 89 and name HG3 ))
OR
(( segid " " and resid 35 and name HG2 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
3.300 1.400 1.400 peak 616 weight 0.10000E+01 volume 0.22900E+00 ppm1 0.739 ppm2 2.163
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 104 and name HB3 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 42 and name HB ))
OR
(( segid " " and resid 39 and name HB ))
OR
(( segid " " and resid 38 and name HG2 ))
)
3.000 1.100 1.100 peak 617 weight 0.10000E+01 volume 0.46700E+00 ppm1 0.742 ppm2 2.018
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 93 and name HB ))
OR
(( segid " " and resid 39 and name HA ))
)
2.800 1.000 1.000 peak 618 weight 0.10000E+01 volume 0.96300E+00 ppm1 0.740 ppm2 3.463
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 90 and name HA ))
)
3.300 1.400 1.400 peak 620 weight 0.10000E+01 volume 0.33800E+00 ppm1 0.739 ppm2 5.665
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
)
3.000 1.100 1.100 peak 621 weight 0.10000E+01 volume 0.67900E+00 ppm1 0.739 ppm2 5.177
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 91 and name H ))
)
2.500 0.800 0.800 peak 622 weight 0.10000E+01 volume 0.11340E+01 ppm1 0.739 ppm2 9.417
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 37 and name H ))
)
3.400 1.400 1.400 peak 623 weight 0.10000E+01 volume 0.19300E+00 ppm1 0.740 ppm2 9.111
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
3.200 1.300 1.300 peak 624 weight 0.10000E+01 volume 0.30400E+00 ppm1 0.739 ppm2 8.662
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 40 and name H ))
)
3.500 1.500 1.500 peak 625 weight 0.10000E+01 volume 0.15700E+00 ppm1 0.738 ppm2 8.417
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 92 and name H ))
)
3.300 1.400 1.400 peak 626 weight 0.10000E+01 volume 0.22700E+00 ppm1 0.740 ppm2 8.114
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)(
(( segid " " and resid 103 and name HD22))
OR
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 42 and name H ))
)
3.300 1.400 1.400 peak 627 weight 0.10000E+01 volume 0.25400E+00 ppm1 0.754 ppm2 7.782
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
3.700 1.700 1.700 peak 629 weight 0.10000E+01 volume 0.22500E+00 ppm1 0.521 ppm2 -0.350
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
3.700 1.700 1.700 peak 630 weight 0.10000E+01 volume 0.24600E+00 ppm1 0.514 ppm2 -1.045
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
2.700 0.900 0.900 peak 631 weight 0.10000E+01 volume 0.15390E+01 ppm1 0.520 ppm2 0.328
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 24 and name HB ))
)
2.500 0.800 0.800 peak 632 weight 0.10000E+01 volume 0.13210E+01 ppm1 0.519 ppm2 1.358
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 24 and name HG12))
OR
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG21))
)
2.300 0.700 0.700 peak 633 weight 0.10000E+01 volume 0.20340E+01 ppm1 0.519 ppm2 1.127
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
)
2.300 0.700 0.700 peak 634 weight 0.10000E+01 volume 0.43040E+01 ppm1 0.518 ppm2 0.846
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 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))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
2.300 0.700 0.700 peak 635 weight 0.10000E+01 volume 0.36640E+01 ppm1 0.519 ppm2 0.731
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 24 and name HA ))
)
3.300 1.400 1.400 peak 636 weight 0.10000E+01 volume 0.35200E+00 ppm1 0.517 ppm2 4.177
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
3.500 1.500 1.500 peak 637 weight 0.10000E+01 volume 0.29000E+00 ppm1 0.518 ppm2 6.691
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)
3.200 1.300 1.300 peak 638 weight 0.10000E+01 volume 0.53000E+00 ppm1 0.521 ppm2 6.490
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 24 and name H ))
)
3.200 1.300 1.300 peak 639 weight 0.10000E+01 volume 0.29100E+00 ppm1 0.520 ppm2 9.289
ASSI (
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)(
(( segid " " and resid 108 and name H ))
OR
(( segid " " and resid 25 and name H ))
OR
(( segid " " and resid 23 and name H ))
)
3.400 1.400 1.400 peak 640 weight 0.10000E+01 volume 0.18900E+00 ppm1 0.521 ppm2 8.749
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 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)
2.400 0.700 0.700 peak 641 weight 0.10000E+01 volume 0.31950E+01 ppm1 0.927 ppm2 0.761
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 HG12))
OR
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)
2.200 0.600 0.600 peak 642 weight 0.10000E+01 volume 0.34140E+01 ppm1 0.927 ppm2 1.052
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 HG13))
)
2.100 0.600 0.600 peak 643 weight 0.10000E+01 volume 0.35160E+01 ppm1 0.927 ppm2 1.677
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 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
OR
(( segid " " and resid 44 and name HG3 ))
)
3.700 1.700 1.700 peak 644 weight 0.10000E+01 volume 0.12900E+00 ppm1 0.927 ppm2 1.425
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 42 and name HB ))
OR
(( segid " " and resid 39 and name HB ))
)
3.300 1.400 1.400 peak 646 weight 0.10000E+01 volume 0.24000E+00 ppm1 0.923 ppm2 2.042
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 HA ))
)
3.400 1.400 1.400 peak 647 weight 0.10000E+01 volume 0.30600E+00 ppm1 0.926 ppm2 3.960
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 39 and name HA ))
)
2.900 1.100 1.100 peak 648 weight 0.10000E+01 volume 0.82500E+00 ppm1 0.926 ppm2 3.466
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 H ))
)
3.100 1.200 1.200 peak 649 weight 0.10000E+01 volume 0.33900E+00 ppm1 0.926 ppm2 7.997
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 40 and name H ))
)
3.100 1.200 1.200 peak 650 weight 0.10000E+01 volume 0.32800E+00 ppm1 0.928 ppm2 8.398
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 94 and name H ))
OR
(( segid " " and resid 93 and name H ))
)
4.000 2.000 2.000 peak 651 weight 0.10000E+01 volume 0.78000E-01 ppm1 0.926 ppm2 8.196
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 100 and name H ))
OR
(( segid " " and resid 42 and name H ))
)
3.600 1.600 1.600 peak 652 weight 0.10000E+01 volume 0.14900E+00 ppm1 0.928 ppm2 7.766
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 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
3.900 1.900 1.900 peak 653 weight 0.10000E+01 volume 0.15300E+00 ppm1 0.925 ppm2 7.246
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 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
4.000 2.000 2.000 peak 654 weight 0.10000E+01 volume 0.81000E-01 ppm1 0.931 ppm2 8.663
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 26 and name HB3 ))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
3.200 1.300 1.300 peak 655 weight 0.10000E+01 volume 0.31200E+00 ppm1 0.503 ppm2 0.337
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 73 and name HG12))
)
2.600 0.800 0.800 peak 659 weight 0.10000E+01 volume 0.10360E+01 ppm1 0.503 ppm2 0.953
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 27 and name HG2 ))
)
3.400 1.400 1.400 peak 662 weight 0.10000E+01 volume 0.18900E+00 ppm1 0.504 ppm2 1.445
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 75 and name HB ))
OR
(( segid " " and resid 27 and name HB2 ))
)
3.800 1.800 1.800 peak 663 weight 0.10000E+01 volume 0.10200E+00 ppm1 0.505 ppm2 1.907
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 57 and name HB2 ))
OR
(( segid " " and resid 23 and name HG2 ))
)
3.700 1.700 1.700 peak 664 weight 0.10000E+01 volume 0.13000E+00 ppm1 0.502 ppm2 1.769
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 25 and name HB3 ))
)
3.500 1.500 1.500 peak 666 weight 0.10000E+01 volume 0.16700E+00 ppm1 0.500 ppm2 3.162
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 59 and name HB ))
)
3.700 1.700 1.700 peak 667 weight 0.10000E+01 volume 0.11600E+00 ppm1 0.502 ppm2 3.719
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 25 and name HB2 ))
)
3.000 1.100 1.100 peak 668 weight 0.10000E+01 volume 0.41100E+00 ppm1 0.504 ppm2 2.756
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 27 and name HA ))
)
3.100 1.200 1.200 peak 669 weight 0.10000E+01 volume 0.51700E+00 ppm1 0.501 ppm2 4.834
ASSI (
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)(
(( segid " " and resid 25 and name HA ))
)
3.600 1.600 1.600 peak 670 weight 0.10000E+01 volume 0.20400E+00 ppm1 0.498 ppm2 5.539
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
2.600 0.800 0.800 peak 671 weight 0.10000E+01 volume 0.19380E+01 ppm1 0.748 ppm2 0.292
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 51 and name HG12))
)
2.400 0.700 0.700 peak 673 weight 0.10000E+01 volume 0.16600E+01 ppm1 0.747 ppm2 1.072
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)
3.200 1.300 1.300 peak 675 weight 0.10000E+01 volume 0.31200E+00 ppm1 0.748 ppm2 2.293
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)
2.900 1.100 1.100 peak 676 weight 0.10000E+01 volume 0.52000E+00 ppm1 0.745 ppm2 1.997
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 82 and name HD2 ))
OR
(( segid " " and resid 51 and name HB ))
)
2.300 0.700 0.700 peak 677 weight 0.10000E+01 volume 0.20210E+01 ppm1 0.746 ppm2 1.743
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 51 and name HG13))
)
2.300 0.700 0.700 peak 678 weight 0.10000E+01 volume 0.23680E+01 ppm1 0.747 ppm2 1.476
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
)
3.200 1.300 1.300 peak 679 weight 0.10000E+01 volume 0.27700E+00 ppm1 0.749 ppm2 2.951
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 86 and name HB3 ))
OR
(( segid " " and resid 81 and name HD3 ))
)
3.600 1.600 1.600 peak 681 weight 0.10000E+01 volume 0.13800E+00 ppm1 0.747 ppm2 3.125
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 51 and name H ))
)
3.400 1.400 1.400 peak 682 weight 0.10000E+01 volume 0.19300E+00 ppm1 0.746 ppm2 7.592
ASSI (
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)(
(( segid " " and resid 82 and name H ))
OR
(( segid " " and resid 38 and name HE ))
)
4.000 2.000 2.000 peak 683 weight 0.10000E+01 volume 0.80000E-01 ppm1 0.747 ppm2 7.404
ASSI (
(( segid " " and resid 52 and name HB3 ))
OR
(( segid " " and resid 2 and name HD13))
OR
(( segid " " and resid 2 and name HD12))
OR
(( segid " " and resid 2 and name HD11))
)(
(( segid " " and resid 52 and name H ))
OR
(( segid " " and resid 2 and name H ))
)
3.300 1.400 1.400 peak 689 weight 0.10000E+01 volume 0.15900E+00 ppm1 0.864 ppm2 8.294
ASSI (
(( segid " " and resid 52 and name HB3 ))
)(
(( segid " " and resid 54 and name H ))
OR
(( segid " " and resid 53 and name H ))
)
2.900 1.100 1.100 peak 690 weight 0.10000E+01 volume 0.24500E+00 ppm1 0.867 ppm2 8.433
ASSI (
(( segid " " and resid 52 and name HB2 ))
)(
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
2.300 0.700 0.700 peak 692 weight 0.10000E+01 volume 0.19190E+01 ppm1 1.593 ppm2 0.662
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 109 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
)
3.100 1.200 1.200 peak 695 weight 0.10000E+01 volume 0.19200E+00 ppm1 1.260 ppm2 1.995
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.600 1.600 1.600 peak 698 weight 0.10000E+01 volume 0.14200E+00 ppm1 1.806 ppm2 0.529
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
)
1.900 0.500 0.500 peak 699 weight 0.10000E+01 volume 0.31690E+01 ppm1 1.806 ppm2 1.252
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 78 and name HG23))
)
2.400 0.700 0.700 peak 701 weight 0.10000E+01 volume 0.17140E+01 ppm1 1.807 ppm2 0.820
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.300 1.400 1.400 peak 705 weight 0.10000E+01 volume 0.25600E+00 ppm1 1.253 ppm2 0.534
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
)
2.200 0.600 0.600 peak 706 weight 0.10000E+01 volume 0.26560E+01 ppm1 1.254 ppm2 0.823
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)
3.100 1.200 1.200 peak 709 weight 0.10000E+01 volume 0.35500E+00 ppm1 1.255 ppm2 6.491
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)
3.400 1.400 1.400 peak 710 weight 0.10000E+01 volume 0.18700E+00 ppm1 1.812 ppm2 6.486
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
)
3.200 1.300 1.300 peak 711 weight 0.10000E+01 volume 0.14400E+00 ppm1 1.233 ppm2 9.223
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 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)
3.000 1.100 1.100 peak 715 weight 0.10000E+01 volume 0.90400E+00 ppm1 0.808 ppm2 0.639
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 HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)
2.400 0.700 0.700 peak 717 weight 0.10000E+01 volume 0.29270E+01 ppm1 0.808 ppm2 0.958
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 HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
)
3.200 1.300 1.300 peak 719 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.808 ppm2 1.444
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 HB ))
)
2.200 0.600 0.600 peak 720 weight 0.10000E+01 volume 0.26370E+01 ppm1 0.809 ppm2 1.613
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 103 and name HB2 ))
)
3.200 1.300 1.300 peak 721 weight 0.10000E+01 volume 0.29700E+00 ppm1 0.809 ppm2 2.583
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 105 and name HB3 ))
OR
(( segid " " and resid 104 and name HB3 ))
OR
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 42 and name HB ))
OR
(( segid " " and resid 34 and name HB2 ))
)
3.000 1.100 1.100 peak 722 weight 0.10000E+01 volume 0.39500E+00 ppm1 0.828 ppm2 2.080
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 103 and name HB3 ))
)
3.200 1.300 1.300 peak 724 weight 0.10000E+01 volume 0.28100E+00 ppm1 0.805 ppm2 3.102
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 93 and name HB ))
)
3.200 1.300 1.300 peak 725 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.808 ppm2 3.491
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 103 and name HA ))
OR
(( segid " " and resid 100 and name HA ))
)
3.600 1.600 1.600 peak 727 weight 0.10000E+01 volume 0.20300E+00 ppm1 0.810 ppm2 4.892
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 H ))
)
3.000 1.100 1.100 peak 728 weight 0.10000E+01 volume 0.41200E+00 ppm1 0.809 ppm2 7.988
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 103 and name H ))
OR
(( segid " " and resid 100 and name H ))
)
2.600 0.800 0.800 peak 729 weight 0.10000E+01 volume 0.92300E+00 ppm1 0.809 ppm2 7.742
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 34 and name HD2 ))
)
3.400 1.400 1.400 peak 732 weight 0.10000E+01 volume 0.34400E+00 ppm1 0.810 ppm2 6.343
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
OR
(( segid " " and resid 36 and name HE3 ))
)
4.100 2.100 1.900 peak 733 weight 0.10000E+01 volume 0.11400E+00 ppm1 0.564 ppm2 7.189
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 76 and name H ))
)
3.100 1.200 1.200 peak 734 weight 0.10000E+01 volume 0.37000E+00 ppm1 0.561 ppm2 9.195
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
3.100 1.200 1.200 peak 735 weight 0.10000E+01 volume 0.59100E+00 ppm1 0.562 ppm2 6.706
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)
3.800 1.800 1.800 peak 736 weight 0.10000E+01 volume 0.20400E+00 ppm1 0.560 ppm2 6.506
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 90 and name HA ))
)
3.900 1.900 1.900 peak 737 weight 0.10000E+01 volume 0.14500E+00 ppm1 0.563 ppm2 5.658
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 90 and name HG ))
)
2.500 0.800 0.800 peak 738 weight 0.10000E+01 volume 0.11930E+01 ppm1 0.561 ppm2 1.547
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 88 and name HG ))
OR
(( segid " " and resid 24 and name HB ))
)
3.100 1.200 1.200 peak 739 weight 0.10000E+01 volume 0.37600E+00 ppm1 0.562 ppm2 1.361
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 106 and name HB3 ))
OR
(( segid " " and resid 36 and name HB2 ))
)
2.900 1.100 1.100 peak 740 weight 0.10000E+01 volume 0.47500E+00 ppm1 0.560 ppm2 2.557
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 90 and name HB3 ))
)
2.800 1.000 1.000 peak 741 weight 0.10000E+01 volume 0.72000E+00 ppm1 0.561 ppm2 2.263
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
)
2.600 0.800 0.800 peak 742 weight 0.10000E+01 volume 0.94800E+00 ppm1 0.562 ppm2 1.742
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
4.100 2.100 1.900 peak 743 weight 0.10000E+01 volume 0.12800E+00 ppm1 0.561 ppm2 -0.385
ASSI (
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
2.900 1.100 1.100 peak 744 weight 0.10000E+01 volume 0.99100E+00 ppm1 0.562 ppm2 -1.045
ASSI (
(( segid " " and resid 91 and name HA ))
)(
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)
3.100 1.200 1.200 peak 752 weight 0.10000E+01 volume 0.50600E+00 ppm1 5.200 ppm2 0.753
ASSI (
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.200 1.300 1.300 peak 753 weight 0.10000E+01 volume 0.54100E+00 ppm1 1.086 ppm2 0.511
ASSI (
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
3.600 1.600 1.600 peak 754 weight 0.10000E+01 volume 0.28200E+00 ppm1 1.087 ppm2 0.317
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
OR
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 24 and name HG13))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
2.100 0.600 0.600 peak 755 weight 0.10000E+01 volume 0.46690E+01 ppm1 1.085 ppm2 0.895
ASSI (
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 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))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
2.400 0.700 0.700 peak 756 weight 0.10000E+01 volume 0.33880E+01 ppm1 1.083 ppm2 0.786
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
OR
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 108 and name HB2 ))
OR
(( segid " " and resid 80 and name HG2 ))
OR
(( segid " " and resid 44 and name HD2 ))
OR
(( segid " " and resid 23 and name HG2 ))
OR
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)
2.900 1.100 1.100 peak 757 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.090 ppm2 1.788
ASSI (
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
OR
(( segid " " and resid 12 and name HG2 ))
)
2.800 1.000 1.000 peak 758 weight 0.10000E+01 volume 0.66000E+00 ppm1 1.087 ppm2 1.265
ASSI (
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 22 and name HB ))
)
2.400 0.700 0.700 peak 759 weight 0.10000E+01 volume 0.17740E+01 ppm1 1.085 ppm2 3.687
ASSI (
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 23 and name H ))
)
2.700 0.900 0.900 peak 761 weight 0.10000E+01 volume 0.88100E+00 ppm1 1.086 ppm2 8.743
ASSI (
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)(
(( segid " " and resid 22 and name H ))
)
3.200 1.300 1.300 peak 762 weight 0.10000E+01 volume 0.26800E+00 ppm1 1.085 ppm2 9.502
ASSI (
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)(
(( segid " " and resid 47 and name H ))
)
2.700 0.900 0.900 peak 763 weight 0.10000E+01 volume 0.81400E+00 ppm1 1.144 ppm2 8.841
ASSI (
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)(
(( segid " " and resid 46 and name H ))
)
3.000 1.100 1.100 peak 764 weight 0.10000E+01 volume 0.40400E+00 ppm1 1.141 ppm2 7.622
ASSI (
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)(
(( segid " " and resid 48 and name H ))
)
2.400 0.700 0.700 peak 765 weight 0.10000E+01 volume 0.17830E+01 ppm1 1.143 ppm2 6.734
ASSI (
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)(
(( segid " " and resid 46 and name HB ))
)
2.200 0.600 0.600 peak 767 weight 0.10000E+01 volume 0.25980E+01 ppm1 1.143 ppm2 2.175
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
OR
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)(
(( segid " " and resid 72 and name HA3 ))
OR
(( segid " " and resid 71 and name HA2 ))
OR
(( segid " " and resid 48 and name HB3 ))
)
3.100 1.200 1.200 peak 768 weight 0.10000E+01 volume 0.37600E+00 ppm1 1.140 ppm2 4.067
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 HB ))
)
2.300 0.700 0.700 peak 769 weight 0.10000E+01 volume 0.20410E+01 ppm1 1.094 ppm2 3.905
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 112 and name HA ))
)
2.800 1.000 1.000 peak 770 weight 0.10000E+01 volume 0.10270E+01 ppm1 1.094 ppm2 3.750
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 H ))
OR
(( segid " " and resid 16 and name H ))
)
2.400 0.700 0.700 peak 771 weight 0.10000E+01 volume 0.18150E+01 ppm1 1.095 ppm2 8.856
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 113 and name H ))
OR
(( segid " " and resid 19 and name H ))
)
3.200 1.300 1.300 peak 772 weight 0.10000E+01 volume 0.31600E+00 ppm1 1.097 ppm2 8.355
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 111 and name H ))
OR
(( segid " " and resid 110 and name H ))
)
3.200 1.300 1.300 peak 773 weight 0.10000E+01 volume 0.27900E+00 ppm1 1.090 ppm2 9.101
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 79 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
3.300 1.400 1.400 peak 774 weight 0.10000E+01 volume 0.37100E+00 ppm1 1.096 ppm2 5.499
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 15 and name HA ))
)
3.600 1.600 1.600 peak 775 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.098 ppm2 5.396
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 80 and name HG3 ))
)
2.800 1.000 1.000 peak 776 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.094 ppm2 2.230
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 109 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 80 and name HB2 ))
)
3.000 1.100 1.100 peak 778 weight 0.10000E+01 volume 0.45000E+00 ppm1 1.096 ppm2 1.983
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 80 and name HG2 ))
)
2.600 0.800 0.800 peak 779 weight 0.10000E+01 volume 0.99300E+00 ppm1 1.095 ppm2 1.766
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 110 and name HB2 ))
OR
(( segid " " and resid 20 and name HB3 ))
)
2.900 1.100 1.100 peak 780 weight 0.10000E+01 volume 0.50000E+00 ppm1 1.091 ppm2 1.629
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 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
)
2.400 0.700 0.700 peak 782 weight 0.10000E+01 volume 0.29410E+01 ppm1 1.094 ppm2 0.754
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 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 14 and name HG12))
)
2.300 0.700 0.700 peak 783 weight 0.10000E+01 volume 0.37440E+01 ppm1 1.094 ppm2 0.894
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 HB ))
)
2.300 0.700 0.700 peak 789 weight 0.10000E+01 volume 0.19700E+01 ppm1 1.402 ppm2 4.621
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 29 and name HB2 ))
)
2.600 0.800 0.800 peak 791 weight 0.10000E+01 volume 0.99800E+00 ppm1 1.402 ppm2 3.060
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 H ))
OR
(( segid " " and resid 29 and name HD21))
)
2.600 0.800 0.800 peak 792 weight 0.10000E+01 volume 0.12520E+01 ppm1 1.402 ppm2 7.790
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 29 and name HD22))
)
3.700 1.700 1.700 peak 793 weight 0.10000E+01 volume 0.15600E+00 ppm1 1.407 ppm2 7.102
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 34 and name HD1 ))
)
3.800 1.800 1.800 peak 794 weight 0.10000E+01 volume 0.20400E+00 ppm1 1.399 ppm2 6.330
ASSI (
(( segid " " and resid 31 and name HG23))
OR
(( segid " " and resid 31 and name HG22))
OR
(( segid " " and resid 31 and name HG21))
)(
(( segid " " and resid 31 and name HB ))
)
2.200 0.600 0.600 peak 795 weight 0.10000E+01 volume 0.30870E+01 ppm1 1.320 ppm2 4.280
ASSI (
(( segid " " and resid 31 and name HG23))
OR
(( segid " " and resid 31 and name HG22))
OR
(( segid " " and resid 31 and name HG21))
)(
(( segid " " and resid 31 and name HA ))
)
2.300 0.700 0.700 peak 796 weight 0.10000E+01 volume 0.29390E+01 ppm1 1.319 ppm2 4.189
ASSI (
(( segid " " and resid 31 and name HG23))
OR
(( segid " " and resid 31 and name HG22))
OR
(( segid " " and resid 31 and name HG21))
)(
(( segid " " and resid 31 and name H ))
)
2.600 0.800 0.800 peak 797 weight 0.10000E+01 volume 0.94600E+00 ppm1 1.321 ppm2 8.002
ASSI (
(( segid " " and resid 31 and name HG23))
OR
(( segid " " and resid 31 and name HG22))
OR
(( segid " " and resid 31 and name HG21))
)(
(( segid " " and resid 32 and name H ))
OR
(( segid " " and resid 29 and name HD21))
)
3.500 1.500 1.500 peak 798 weight 0.10000E+01 volume 0.18500E+00 ppm1 1.319 ppm2 7.806
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 HB ))
)
2.300 0.700 0.700 peak 799 weight 0.10000E+01 volume 0.20440E+01 ppm1 1.177 ppm2 4.002
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 HD3 ))
)
2.900 1.100 1.100 peak 800 weight 0.10000E+01 volume 0.48500E+00 ppm1 1.177 ppm2 3.820
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
OR
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 48 and name HB2 ))
)
2.600 0.800 0.800 peak 801 weight 0.10000E+01 volume 0.10460E+01 ppm1 1.174 ppm2 3.647
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 HA ))
)
2.600 0.800 0.800 peak 803 weight 0.10000E+01 volume 0.15580E+01 ppm1 1.177 ppm2 4.449
ASSI (
(( segid " " and resid 65 and name HG23))
OR
(( segid " " and resid 65 and name HG22))
OR
(( segid " " and resid 65 and name HG21))
OR
(( segid " " and resid 46 and name HG22))
)(
(( segid " " and resid 65 and name HA ))
OR
(( segid " " and resid 49 and name HA ))
)
3.100 1.200 1.200 peak 805 weight 0.10000E+01 volume 0.58900E+00 ppm1 1.180 ppm2 4.710
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 71 and name H ))
OR
(( segid " " and resid 61 and name H ))
)
3.000 1.100 1.100 peak 806 weight 0.10000E+01 volume 0.41600E+00 ppm1 1.179 ppm2 8.588
ASSI (
(( segid " " and resid 65 and name HG23))
OR
(( segid " " and resid 65 and name HG22))
OR
(( segid " " and resid 65 and name HG21))
)(
(( segid " " and resid 65 and name H ))
)
3.300 1.400 1.400 peak 807 weight 0.10000E+01 volume 0.23800E+00 ppm1 1.179 ppm2 7.932
ASSI (
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
OR
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)(
(( segid " " and resid 62 and name HG2 ))
OR
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
OR
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)
3.200 1.300 1.300 peak 808 weight 0.10000E+01 volume 0.26600E+00 ppm1 1.179 ppm2 2.033
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 46 and name HB ))
)
2.300 0.700 0.700 peak 810 weight 0.10000E+01 volume 0.23580E+01 ppm1 1.053 ppm2 2.178
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 45 and name HB3 ))
)
3.000 1.100 1.100 peak 811 weight 0.10000E+01 volume 0.44000E+00 ppm1 1.054 ppm2 2.714
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 45 and name HB2 ))
)
3.000 1.100 1.100 peak 812 weight 0.10000E+01 volume 0.46600E+00 ppm1 1.053 ppm2 2.777
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 46 and name HA ))
)
2.600 0.800 0.800 peak 813 weight 0.10000E+01 volume 0.16190E+01 ppm1 1.054 ppm2 4.298
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 46 and name H ))
)
2.600 0.800 0.800 peak 814 weight 0.10000E+01 volume 0.11160E+01 ppm1 1.054 ppm2 7.622
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 48 and name H ))
)
3.100 1.200 1.200 peak 815 weight 0.10000E+01 volume 0.34900E+00 ppm1 1.065 ppm2 6.714
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 45 and name H ))
)
3.400 1.400 1.400 peak 818 weight 0.10000E+01 volume 0.19300E+00 ppm1 1.053 ppm2 8.506
ASSI (
(( segid " " and resid 46 and name HG13))
OR
(( segid " " and resid 46 and name HG12))
OR
(( segid " " and resid 46 and name HG11))
)(
(( segid " " and resid 47 and name H ))
)
2.700 0.900 0.900 peak 819 weight 0.10000E+01 volume 0.75900E+00 ppm1 1.052 ppm2 8.850
ASSI (
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
OR
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 70 and name HB ))
OR
(( segid " " and resid 7 and name HB ))
)
2.200 0.600 0.600 peak 820 weight 0.10000E+01 volume 0.26550E+01 ppm1 0.988 ppm2 2.170
ASSI (
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 35 and name HG2 ))
OR
(( segid " " and resid 7 and name HB ))
)
2.500 0.800 0.800 peak 821 weight 0.10000E+01 volume 0.11360E+01 ppm1 0.989 ppm2 2.147
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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)(
(( segid " " and resid 48 and name HB2 ))
OR
(( segid " " and resid 40 and name HA3 ))
)
3.400 1.400 1.400 peak 823 weight 0.10000E+01 volume 0.27500E+00 ppm1 0.952 ppm2 3.640
ASSI (
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)(
(( segid " " and resid 39 and name HA ))
)
2.700 0.900 0.900 peak 824 weight 0.10000E+01 volume 0.12070E+01 ppm1 0.953 ppm2 3.466
ASSI (
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)(
(( segid " " and resid 42 and name HA ))
)
2.400 0.700 0.700 peak 826 weight 0.10000E+01 volume 0.24470E+01 ppm1 0.991 ppm2 3.738
ASSI (
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)(
(( segid " " and resid 93 and name HB ))
OR
(( segid " " and resid 41 and name HB3 ))
OR
(( segid " " and resid 39 and name HA ))
)
3.100 1.200 1.200 peak 827 weight 0.10000E+01 volume 0.40500E+00 ppm1 1.018 ppm2 3.466
ASSI (
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
)(
(( segid " " and resid 60 and name HD3 ))
)
3.000 1.100 1.100 peak 828 weight 0.10000E+01 volume 0.39600E+00 ppm1 0.990 ppm2 3.415
ASSI (
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
OR
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 70 and name HA ))
OR
(( segid " " and resid 7 and name HA ))
)
2.800 1.000 1.000 peak 829 weight 0.10000E+01 volume 0.10880E+01 ppm1 0.991 ppm2 4.230
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 80 and name HD3 ))
OR
(( segid " " and resid 16 and name HB ))
)
2.500 0.800 0.800 peak 830 weight 0.10000E+01 volume 0.14100E+01 ppm1 0.888 ppm2 3.908
ASSI (
(( segid " " and resid 68 and name HG23))
OR
(( segid " " and resid 68 and name HG22))
OR
(( segid " " and resid 68 and name HG21))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
OR
(( segid " " and resid 68 and name HG11))
)(
(( segid " " and resid 68 and name HA ))
)
2.600 0.800 0.800 peak 832 weight 0.10000E+01 volume 0.14130E+01 ppm1 0.953 ppm2 4.102
ASSI (
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 7 and name HA ))
OR
(( segid " " and resid 6 and name HA ))
)
3.000 1.100 1.100 peak 833 weight 0.10000E+01 volume 0.70500E+00 ppm1 0.989 ppm2 4.218
ASSI (
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)(
(( segid " " and resid 37 and name HB ))
)
2.300 0.700 0.700 peak 834 weight 0.10000E+01 volume 0.18750E+01 ppm1 1.018 ppm2 4.071
ASSI (
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
)(
(( segid " " and resid 69 and name HA3 ))
OR
(( segid " " and resid 69 and name HA2 ))
OR
(( segid " " and resid 61 and name HB ))
)
3.100 1.200 1.200 peak 835 weight 0.10000E+01 volume 0.45400E+00 ppm1 0.940 ppm2 3.990
ASSI (
(( segid " " and resid 68 and name HG23))
OR
(( segid " " and resid 68 and name HG22))
OR
(( segid " " and resid 68 and name HG21))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
OR
(( segid " " and resid 68 and name HG11))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
OR
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 88 and name HA ))
OR
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 40 and name HA2 ))
OR
(( segid " " and resid 4 and name HA ))
)
3.000 1.100 1.100 peak 837 weight 0.10000E+01 volume 0.62400E+00 ppm1 0.958 ppm2 4.436
ASSI (
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)(
(( segid " " and resid 37 and name HA ))
OR
(( segid " " and resid 35 and name HA ))
)
3.000 1.100 1.100 peak 838 weight 0.10000E+01 volume 0.70500E+00 ppm1 1.020 ppm2 4.560
ASSI (
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
OR
(( segid " " and resid 37 and name HG21))
OR
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 61 and name HA ))
OR
(( segid " " and resid 59 and name HA ))
OR
(( segid " " and resid 40 and name HA2 ))
OR
(( segid " " and resid 4 and name HA ))
)
2.600 0.800 0.800 peak 839 weight 0.10000E+01 volume 0.14350E+01 ppm1 0.986 ppm2 4.444
ASSI (
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)(
(( segid " " and resid 40 and name H ))
)
2.700 0.900 0.900 peak 840 weight 0.10000E+01 volume 0.87000E+00 ppm1 0.953 ppm2 8.400
ASSI (
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 8 and name H ))
)
3.000 1.100 1.100 peak 841 weight 0.10000E+01 volume 0.41600E+00 ppm1 0.989 ppm2 8.465
ASSI (
(( segid " " and resid 68 and name HG23))
OR
(( segid " " and resid 68 and name HG22))
OR
(( segid " " and resid 68 and name HG21))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
OR
(( segid " " and resid 68 and name HG11))
)(
(( segid " " and resid 70 and name H ))
OR
(( segid " " and resid 68 and name H ))
)
2.600 0.800 0.800 peak 843 weight 0.10000E+01 volume 0.93400E+00 ppm1 0.958 ppm2 8.048
ASSI (
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
)(
(( segid " " and resid 70 and name H ))
)
2.500 0.800 0.800 peak 844 weight 0.10000E+01 volume 0.11370E+01 ppm1 0.942 ppm2 8.028
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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)(
(( segid " " and resid 57 and name HE3 ))
OR
(( segid " " and resid 57 and name HE2 ))
)
2.900 1.100 1.100 peak 846 weight 0.10000E+01 volume 0.49000E+00 ppm1 0.945 ppm2 2.875
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 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 HA ))
)
3.800 1.800 1.800 peak 847 weight 0.10000E+01 volume 0.15400E+00 ppm1 0.938 ppm2 5.361
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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)(
(( segid " " and resid 55 and name H ))
OR
(( segid " " and resid 41 and name H ))
)
2.600 0.800 0.800 peak 849 weight 0.10000E+01 volume 0.92200E+00 ppm1 0.928 ppm2 8.603
ASSI (
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
OR
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)(
(( segid " " and resid 39 and name H ))
OR
(( segid " " and resid 7 and name H ))
)
2.700 0.900 0.900 peak 850 weight 0.10000E+01 volume 0.84000E+00 ppm1 0.954 ppm2 8.659
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 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 H ))
)
2.400 0.700 0.700 peak 851 weight 0.10000E+01 volume 0.15160E+01 ppm1 0.946 ppm2 9.147
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 86 and name H ))
OR
(( segid " " and resid 15 and name H ))
)
2.100 0.600 0.600 peak 852 weight 0.10000E+01 volume 0.33260E+01 ppm1 0.887 ppm2 8.779
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)(
(( segid " " and resid 86 and name HD2 ))
)
3.000 1.100 1.100 peak 853 weight 0.10000E+01 volume 0.76400E+00 ppm1 0.887 ppm2 6.575
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)(
(( segid " " and resid 113 and name H ))
OR
(( segid " " and resid 19 and name H ))
)
3.300 1.400 1.400 peak 854 weight 0.10000E+01 volume 0.24200E+00 ppm1 0.887 ppm2 8.354
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 111 and name H ))
OR
(( segid " " and resid 110 and name H ))
OR
(( segid " " and resid 37 and name H ))
)
2.600 0.800 0.800 peak 855 weight 0.10000E+01 volume 0.96400E+00 ppm1 0.889 ppm2 9.084
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
OR
(( segid " " and resid 13 and name HA ))
)
3.600 1.600 1.600 peak 856 weight 0.10000E+01 volume 0.22700E+00 ppm1 0.901 ppm2 5.157
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 110 and name HA ))
)
3.000 1.100 1.100 peak 857 weight 0.10000E+01 volume 0.72200E+00 ppm1 0.885 ppm2 4.953
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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 110 and name HA ))
OR
(( segid " " and resid 107 and name HA ))
OR
(( segid " " and resid 76 and name HA ))
)
2.900 1.100 1.100 peak 858 weight 0.10000E+01 volume 0.77600E+00 ppm1 0.902 ppm2 4.952
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)(
(( segid " " and resid 112 and name HA ))
OR
(( segid " " and resid 43 and name HA3 ))
OR
(( segid " " and resid 42 and name HA ))
OR
(( segid " " and resid 22 and name HB ))
)
2.500 0.800 0.800 peak 859 weight 0.10000E+01 volume 0.18880E+01 ppm1 0.859 ppm2 3.715
ASSI (
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 41 and name HB2 ))
OR
(( segid " " and resid 12 and name HE3 ))
OR
(( segid " " and resid 12 and name HE2 ))
)
3.100 1.200 1.200 peak 860 weight 0.10000E+01 volume 0.37600E+00 ppm1 0.885 ppm2 2.934
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)(
(( segid " " and resid 112 and name HB ))
)
2.500 0.800 0.800 peak 861 weight 0.10000E+01 volume 0.12150E+01 ppm1 0.886 ppm2 2.656
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)(
(( segid " " and resid 80 and name HB3 ))
)
2.500 0.800 0.800 peak 862 weight 0.10000E+01 volume 0.13210E+01 ppm1 0.888 ppm2 2.202
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 99 and name HG13))
OR
(( segid " " and resid 95 and name HG2 ))
OR
(( segid " " and resid 12 and name HD3 ))
OR
(( segid " " and resid 12 and name HD2 ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)
2.300 0.700 0.700 peak 864 weight 0.10000E+01 volume 0.20860E+01 ppm1 0.885 ppm2 1.701
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 80 and name HG3 ))
OR
(( segid " " and resid 80 and name HB3 ))
)
3.200 1.300 1.300 peak 868 weight 0.10000E+01 volume 0.29700E+00 ppm1 0.828 ppm2 2.224
ASSI (
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 18 and name HB ))
)
2.000 0.500 0.500 peak 869 weight 0.10000E+01 volume 0.46880E+01 ppm1 0.826 ppm2 1.904
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 113 and name HB3 ))
OR
(( segid " " and resid 83 and name HG3 ))
OR
(( segid " " and resid 82 and name HB3 ))
OR
(( segid " " and resid 79 and name HB3 ))
OR
(( segid " " and resid 77 and name HG ))
OR
(( segid " " and resid 52 and name HG ))
)
2.600 0.800 0.800 peak 870 weight 0.10000E+01 volume 0.91100E+00 ppm1 0.822 ppm2 1.514
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 110 and name HB3 ))
OR
(( segid " " and resid 94 and name HB2 ))
OR
(( segid " " and resid 24 and name HG12))
)
2.800 1.000 1.000 peak 871 weight 0.10000E+01 volume 0.71800E+00 ppm1 0.825 ppm2 1.149
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 88 and name HA ))
OR
(( segid " " and resid 84 and name HA2 ))
OR
(( segid " " and resid 81 and name HA ))
)
2.600 0.800 0.800 peak 872 weight 0.10000E+01 volume 0.13770E+01 ppm1 0.828 ppm2 4.414
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 HA ))
)
2.800 1.000 1.000 peak 873 weight 0.10000E+01 volume 0.96400E+00 ppm1 0.825 ppm2 5.088
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 113 and name HG2 ))
OR
(( segid " " and resid 44 and name HG2 ))
OR
(( segid " " and resid 20 and name HD2 ))
)
3.200 1.300 1.300 peak 874 weight 0.10000E+01 volume 0.30200E+00 ppm1 0.826 ppm2 1.311
ASSI (
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 19 and name HA2 ))
)
3.300 1.400 1.400 peak 875 weight 0.10000E+01 volume 0.38200E+00 ppm1 0.828 ppm2 3.569
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)(
(( segid " " and resid 43 and name HA3 ))
OR
(( segid " " and resid 42 and name HA ))
OR
(( segid " " and resid 22 and name HB ))
)
2.000 0.500 0.500 peak 876 weight 0.10000E+01 volume 0.66460E+01 ppm1 0.828 ppm2 3.683
ASSI (
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)(
(( segid " " and resid 95 and name HA ))
OR
(( segid " " and resid 80 and name HD3 ))
)
3.100 1.200 1.200 peak 877 weight 0.10000E+01 volume 0.47200E+00 ppm1 0.829 ppm2 3.869
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 79 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
3.400 1.400 1.400 peak 878 weight 0.10000E+01 volume 0.29700E+00 ppm1 0.830 ppm2 5.503
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 113 and name H ))
OR
(( segid " " and resid 19 and name H ))
)
2.600 0.800 0.800 peak 879 weight 0.10000E+01 volume 0.10780E+01 ppm1 0.827 ppm2 8.375
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 18 and name H ))
)
2.900 1.100 1.100 peak 880 weight 0.10000E+01 volume 0.55200E+00 ppm1 0.828 ppm2 8.701
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( 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 84 and name H ))
OR
(( segid " " and resid 78 and name H ))
)
2.500 0.800 0.800 peak 881 weight 0.10000E+01 volume 0.13060E+01 ppm1 0.828 ppm2 9.029
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 22 and name H ))
)
3.500 1.500 1.500 peak 882 weight 0.10000E+01 volume 0.16700E+00 ppm1 0.831 ppm2 9.516
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)(
(( segid " " and resid 76 and name H ))
)
2.600 0.800 0.800 peak 884 weight 0.10000E+01 volume 0.92100E+00 ppm1 0.783 ppm2 9.200
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 84 and name H ))
OR
(( segid " " and resid 81 and name H ))
OR
(( segid " " and resid 57 and name H ))
)
3.400 1.400 1.400 peak 885 weight 0.10000E+01 volume 0.21300E+00 ppm1 0.785 ppm2 9.001
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 75 and name H ))
OR
(( segid " " and resid 17 and name H ))
)
3.100 1.200 1.200 peak 886 weight 0.10000E+01 volume 0.38100E+00 ppm1 0.784 ppm2 8.852
ASSI (
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)(
(( segid " " and resid 56 and name HA ))
OR
(( segid " " and resid 23 and name HA ))
)
3.700 1.700 1.700 peak 888 weight 0.10000E+01 volume 0.17400E+00 ppm1 0.784 ppm2 5.327
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 25 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
3.600 1.600 1.600 peak 889 weight 0.10000E+01 volume 0.20200E+00 ppm1 0.783 ppm2 5.548
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 19 and name HA3 ))
)
2.800 1.000 1.000 peak 890 weight 0.10000E+01 volume 0.10520E+01 ppm1 0.782 ppm2 4.292
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)(
(( segid " " and resid 57 and name HE3 ))
OR
(( segid " " and resid 57 and name HE2 ))
)
3.600 1.600 1.600 peak 891 weight 0.10000E+01 volume 0.14100E+00 ppm1 0.789 ppm2 2.870
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)(
(( segid " " and resid 23 and name HG3 ))
)
2.700 0.900 0.900 peak 892 weight 0.10000E+01 volume 0.83300E+00 ppm1 0.781 ppm2 2.057
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)(
(( segid " " and resid 75 and name HB ))
)
2.200 0.600 0.600 peak 893 weight 0.10000E+01 volume 0.26290E+01 ppm1 0.782 ppm2 1.866
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 83 and name HB3 ))
OR
(( segid " " and resid 81 and name HB2 ))
OR
(( segid " " and resid 80 and name HG2 ))
OR
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 23 and name HB3 ))
)
2.600 0.800 0.800 peak 894 weight 0.10000E+01 volume 0.11260E+01 ppm1 0.782 ppm2 1.744
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 113 and name HB3 ))
OR
(( segid " " and resid 83 and name HG3 ))
OR
(( segid " " and resid 82 and name HB3 ))
OR
(( segid " " and resid 79 and name HB3 ))
OR
(( segid " " and resid 77 and name HG ))
OR
(( segid " " and resid 52 and name HG ))
)
2.500 0.800 0.800 peak 895 weight 0.10000E+01 volume 0.12560E+01 ppm1 0.784 ppm2 1.512
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 18 and name HG22))
)(
(( segid " " and resid 113 and name HG2 ))
OR
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
OR
(( segid " " and resid 20 and name HD2 ))
)
3.300 1.400 1.400 peak 896 weight 0.10000E+01 volume 0.23300E+00 ppm1 0.786 ppm2 1.294
ASSI (
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)(
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)
2.200 0.600 0.600 peak 897 weight 0.10000E+01 volume 0.49370E+01 ppm1 0.782 ppm2 0.557
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
3.300 1.400 1.400 peak 898 weight 0.10000E+01 volume 0.50300E+00 ppm1 0.674 ppm2 0.299
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.000 1.100 1.100 peak 899 weight 0.10000E+01 volume 0.82000E+00 ppm1 0.669 ppm2 0.512
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 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))
)
2.300 0.700 0.700 peak 900 weight 0.10000E+01 volume 0.43500E+01 ppm1 0.671 ppm2 0.813
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 88 and name HB3 ))
OR
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)
2.500 0.800 0.800 peak 901 weight 0.10000E+01 volume 0.11540E+01 ppm1 0.672 ppm2 0.991
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 80 and name HB2 ))
)
2.900 1.100 1.100 peak 902 weight 0.10000E+01 volume 0.49500E+00 ppm1 0.673 ppm2 1.986
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 108 and name HB2 ))
OR
(( segid " " and resid 80 and name HG2 ))
OR
(( segid " " and resid 78 and name HB ))
OR
(( segid " " and resid 51 and name HB ))
)
3.100 1.200 1.200 peak 903 weight 0.10000E+01 volume 0.34200E+00 ppm1 0.673 ppm2 1.799
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 52 and name HG ))
)
2.400 0.700 0.700 peak 905 weight 0.10000E+01 volume 0.18110E+01 ppm1 0.672 ppm2 1.484
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 108 and name HG ))
)
3.200 1.300 1.300 peak 906 weight 0.10000E+01 volume 0.31100E+00 ppm1 0.666 ppm2 1.307
ASSI (
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 106 and name HB3 ))
OR
(( segid " " and resid 86 and name HB2 ))
)
3.300 1.400 1.400 peak 907 weight 0.10000E+01 volume 0.22100E+00 ppm1 0.673 ppm2 2.517
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 88 and name HA ))
OR
(( segid " " and resid 80 and name HD2 ))
)
3.200 1.300 1.300 peak 909 weight 0.10000E+01 volume 0.38100E+00 ppm1 0.674 ppm2 4.433
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
OR
(( segid " " and resid 48 and name H ))
OR
(( segid " " and resid 36 and name HH2 ))
)
3.400 1.400 1.400 peak 911 weight 0.10000E+01 volume 0.33200E+00 ppm1 0.673 ppm2 6.737
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)(
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
)
3.300 1.400 1.400 peak 912 weight 0.10000E+01 volume 0.22900E+00 ppm1 0.670 ppm2 9.199
ASSI (
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( 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 HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.300 0.700 0.700 peak 914 weight 0.10000E+01 volume 0.45080E+01 ppm1 0.742 ppm2 0.561
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 47 and name HB2 ))
OR
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)
4.300 2.300 1.700 peak 915 weight 0.10000E+01 volume 0.80000E-01 ppm1 0.714 ppm2 1.082
ASSI (
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( 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 HG ))
)
2.000 0.500 0.500 peak 917 weight 0.10000E+01 volume 0.45750E+01 ppm1 0.743 ppm2 1.347
ASSI (
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OR
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OR
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OR
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OR
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)(
(( segid " " and resid 110 and name HB3 ))
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ASSI (
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OR
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OR
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OR
(( segid " " and resid 88 and name HD13))
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OR
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OR
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ASSI (
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OR
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OR
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OR
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OR
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OR
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ASSI (
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OR
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OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
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OR
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)(
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ASSI (
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OR
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OR
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OR
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)(
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ASSI (
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OR
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OR
(( segid " " and resid 110 and name HD21))
OR
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OR
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OR
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)(
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ASSI (
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OR
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OR
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OR
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)(
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ASSI (
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OR
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OR
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OR
(( segid " " and resid 110 and name HD13))
OR
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OR
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)(
(( segid " " and resid 110 and name HA ))
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ASSI (
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OR
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OR
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OR
(( segid " " and resid 110 and name HD13))
OR
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OR
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OR
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OR
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OR
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OR
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OR
(( segid " " and resid 14 and name HA ))
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3.000 1.100 1.100 peak 928 weight 0.10000E+01 volume 0.70600E+00 ppm1 0.746 ppm2 4.574
ASSI (
(( segid " " and resid 88 and name HD23))
OR
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OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
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OR
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OR
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ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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2.900 1.100 1.100 peak 930 weight 0.10000E+01 volume 0.49900E+00 ppm1 0.750 ppm2 9.224
ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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ASSI (
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OR
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OR
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)(
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OR
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ASSI (
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OR
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OR
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)(
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OR
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OR
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ASSI (
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OR
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OR
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)(
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OR
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ASSI (
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OR
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OR
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)(
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OR
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ASSI (
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OR
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OR
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)(
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OR
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OR
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ASSI (
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OR
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OR
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)(
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OR
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ASSI (
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OR
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OR
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)(
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OR
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OR
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ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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2.300 0.700 0.700 peak 940 weight 0.10000E+01 volume 0.41810E+01 ppm1 0.739 ppm2 0.883
ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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2.600 0.800 0.800 peak 941 weight 0.10000E+01 volume 0.19420E+01 ppm1 0.738 ppm2 1.082
ASSI (
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OR
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OR
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OR
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OR
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ASSI (
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OR
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OR
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OR
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OR
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2.800 1.000 1.000 peak 945 weight 0.10000E+01 volume 0.68500E+00 ppm1 0.739 ppm2 2.019
ASSI (
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OR
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OR
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OR
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OR
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2.900 1.100 1.100 peak 946 weight 0.10000E+01 volume 0.57900E+00 ppm1 0.736 ppm2 1.802
ASSI (
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OR
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OR
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OR
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OR
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3.000 1.100 1.100 peak 948 weight 0.10000E+01 volume 0.41100E+00 ppm1 0.739 ppm2 3.876
ASSI (
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OR
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OR
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OR
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3.400 1.400 1.400 peak 949 weight 0.10000E+01 volume 0.20300E+00 ppm1 0.738 ppm2 3.692
ASSI (
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OR
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OR
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3.400 1.400 1.400 peak 950 weight 0.10000E+01 volume 0.32100E+00 ppm1 0.742 ppm2 4.524
ASSI (
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OR
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OR
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OR
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ASSI (
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)(
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OR
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OR
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2.600 0.800 0.800 peak 955 weight 0.10000E+01 volume 0.94700E+00 ppm1 0.936 ppm2 0.682
ASSI (
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OR
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OR
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OR
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2.200 0.600 0.600 peak 956 weight 0.10000E+01 volume 0.29450E+01 ppm1 0.924 ppm2 0.516
ASSI (
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OR
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OR
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3.400 1.400 1.400 peak 957 weight 0.10000E+01 volume 0.39300E+00 ppm1 0.744 ppm2 0.298
ASSI (
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ASSI (
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OR
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OR
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OR
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OR
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2.800 1.000 1.000 peak 968 weight 0.10000E+01 volume 0.34700E+00 ppm1 1.142 ppm2 1.717
ASSI (
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)(
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ASSI (
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)(
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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3.100 1.200 1.200 peak 984 weight 0.10000E+01 volume 0.32800E+00 ppm1 0.871 ppm2 1.189
ASSI (
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)(
(( segid " " and resid 47 and name HB2 ))
OR
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OR
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OR
(( segid " " and resid 37 and name HG21))
)
2.400 0.700 0.700 peak 985 weight 0.10000E+01 volume 0.17740E+01 ppm1 0.872 ppm2 1.055
ASSI (
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
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OR
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OR
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)
3.400 1.400 1.400 peak 986 weight 0.10000E+01 volume 0.20200E+00 ppm1 0.872 ppm2 1.973
ASSI (
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
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OR
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OR
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3.000 1.100 1.100 peak 987 weight 0.10000E+01 volume 0.68500E+00 ppm1 0.874 ppm2 4.565
ASSI (
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OR
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OR
(( segid " " and resid 47 and name HD21))
)(
(( segid " " and resid 56 and name H ))
)
3.000 1.100 1.100 peak 989 weight 0.10000E+01 volume 0.43100E+00 ppm1 0.874 ppm2 9.140
ASSI (
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OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
(( segid " " and resid 47 and name HD11))
)(
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OR
(( segid " " and resid 38 and name HD3 ))
)
2.700 0.900 0.900 peak 993 weight 0.10000E+01 volume 0.72700E+00 ppm1 0.874 ppm2 2.373
ASSI (
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OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
)(
(( segid " " and resid 77 and name HB3 ))
)
2.400 0.700 0.700 peak 997 weight 0.10000E+01 volume 0.15530E+01 ppm1 0.797 ppm2 1.167
ASSI (
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OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
)(
(( segid " " and resid 55 and name HB ))
)
2.700 0.900 0.900 peak 999 weight 0.10000E+01 volume 0.72900E+00 ppm1 0.796 ppm2 1.902
ASSI (
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OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
)(
(( segid " " and resid 77 and name HA ))
)
3.600 1.600 1.600 peak 1001 weight 0.10000E+01 volume 0.23700E+00 ppm1 0.796 ppm2 5.027
ASSI (
(( segid " " and resid 77 and name HD23))
OR
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OR
(( segid " " and resid 77 and name HD21))
)(
(( segid " " and resid 77 and name H ))
)
3.300 1.400 1.400 peak 1002 weight 0.10000E+01 volume 0.25300E+00 ppm1 0.799 ppm2 8.894
ASSI (
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 79 and name HB2 ))
)
2.100 0.600 0.600 peak 1003 weight 0.10000E+01 volume 0.17180E+01 ppm1 1.007 ppm2 1.609
ASSI (
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
)
1.800 0.400 0.400 peak 1004 weight 0.10000E+01 volume 0.41390E+01 ppm1 1.006 ppm2 1.503
ASSI (
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 79 and name HE3 ))
OR
(( segid " " and resid 79 and name HE2 ))
)
2.500 0.800 0.800 peak 1005 weight 0.10000E+01 volume 0.64000E+00 ppm1 1.005 ppm2 2.785
ASSI (
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 80 and name HD2 ))
)
2.700 0.900 0.900 peak 1006 weight 0.10000E+01 volume 0.40500E+00 ppm1 1.004 ppm2 4.486
ASSI (
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 19 and name HA2 ))
)
2.600 0.800 0.800 peak 1007 weight 0.10000E+01 volume 0.76200E+00 ppm1 1.006 ppm2 3.592
ASSI (
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OR
(( segid " " and resid 79 and name HG2 ))
)(
(( segid " " and resid 79 and name H ))
)
2.700 0.900 0.900 peak 1010 weight 0.10000E+01 volume 0.42700E+00 ppm1 1.005 ppm2 9.051
ASSI (
(( segid " " and resid 47 and name HD13))
OR
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OR
(( segid " " and resid 47 and name HD11))
)(
(( segid " " and resid 41 and name HB3 ))
)
2.500 0.800 0.800 peak 1012 weight 0.10000E+01 volume 0.11520E+01 ppm1 0.882 ppm2 3.472
ASSI (
(( segid " " and resid 47 and name HD23))
OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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OR
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2.600 0.800 0.800 peak 1013 weight 0.10000E+01 volume 0.94800E+00 ppm1 0.884 ppm2 2.971
ASSI (
(( segid " " and resid 47 and name HD23))
OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
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OR
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OR
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OR
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OR
(( segid " " and resid 35 and name HB3 ))
)
2.800 1.000 1.000 peak 1015 weight 0.10000E+01 volume 0.59200E+00 ppm1 0.883 ppm2 2.153
ASSI (
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
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OR
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OR
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OR
(( segid " " and resid 38 and name HG2 ))
)
3.000 1.100 1.100 peak 1016 weight 0.10000E+01 volume 0.39100E+00 ppm1 0.888 ppm2 2.021
ASSI (
(( segid " " and resid 47 and name HD23))
OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
(( segid " " and resid 47 and name HD11))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.200 0.600 0.600 peak 1017 weight 0.10000E+01 volume 0.26200E+01 ppm1 0.884 ppm2 1.648
ASSI (
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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OR
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)
3.000 1.100 1.100 peak 1018 weight 0.10000E+01 volume 0.71800E+00 ppm1 0.887 ppm2 4.557
ASSI (
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
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OR
(( segid " " and resid 37 and name HB ))
)
3.400 1.400 1.400 peak 1019 weight 0.10000E+01 volume 0.21500E+00 ppm1 0.880 ppm2 4.053
ASSI (
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OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
(( segid " " and resid 47 and name HA ))
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2.500 0.800 0.800 peak 1020 weight 0.10000E+01 volume 0.20590E+01 ppm1 0.884 ppm2 4.250
ASSI (
(( segid " " and resid 47 and name HD23))
OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
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OR
(( segid " " and resid 58 and name HD1 ))
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3.300 1.400 1.400 peak 1021 weight 0.10000E+01 volume 0.47900E+00 ppm1 0.882 ppm2 6.171
ASSI (
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OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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)(
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OR
(( segid " " and resid 41 and name HD1 ))
)
3.200 1.300 1.300 peak 1022 weight 0.10000E+01 volume 0.53400E+00 ppm1 0.884 ppm2 7.247
ASSI (
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OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
(( segid " " and resid 47 and name HD11))
)(
(( segid " " and resid 38 and name H ))
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2.600 0.800 0.800 peak 1023 weight 0.10000E+01 volume 0.10380E+01 ppm1 0.883 ppm2 8.025
ASSI (
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OR
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OR
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OR
(( segid " " and resid 47 and name HD13))
OR
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OR
(( segid " " and resid 47 and name HD11))
)(
(( segid " " and resid 46 and name H ))
)
3.600 1.600 1.600 peak 1024 weight 0.10000E+01 volume 0.14200E+00 ppm1 0.878 ppm2 7.633
ASSI (
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
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OR
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OR
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OR
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3.000 1.100 1.100 peak 1025 weight 0.10000E+01 volume 0.42800E+00 ppm1 0.885 ppm2 8.855
ASSI (
(( segid " " and resid 47 and name HD23))
OR
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OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
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OR
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OR
(( segid " " and resid 39 and name H ))
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3.400 1.400 1.400 peak 1026 weight 0.10000E+01 volume 0.18900E+00 ppm1 0.882 ppm2 8.653
ASSI (
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OR
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OR
(( segid " " and resid 108 and name HD21))
)(
(( segid " " and resid 108 and name HA ))
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2.700 0.900 0.900 peak 1027 weight 0.10000E+01 volume 0.12090E+01 ppm1 0.868 ppm2 4.712
ASSI (
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OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
)(
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OR
(( segid " " and resid 106 and name HE1 ))
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3.300 1.400 1.400 peak 1028 weight 0.10000E+01 volume 0.42700E+00 ppm1 0.869 ppm2 6.477
ASSI (
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OR
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OR
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OR
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OR
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)(
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OR
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2.600 0.800 0.800 peak 1029 weight 0.10000E+01 volume 0.10670E+01 ppm1 0.867 ppm2 9.167
ASSI (
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OR
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OR
(( segid " " and resid 108 and name HD21))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
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2.200 0.600 0.600 peak 1032 weight 0.10000E+01 volume 0.30660E+01 ppm1 0.868 ppm2 1.253
ASSI (
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OR
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OR
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OR
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)(
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OR
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OR
(( segid " " and resid 51 and name HG21))
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2.800 1.000 1.000 peak 1033 weight 0.10000E+01 volume 0.12500E+01 ppm1 0.701 ppm2 0.298
ASSI (
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
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OR
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)(
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
(( segid " " and resid 24 and name HD11))
)
3.000 1.100 1.100 peak 1034 weight 0.10000E+01 volume 0.89900E+00 ppm1 0.701 ppm2 0.531
ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
(( segid " " and resid 52 and name HB3 ))
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2.100 0.600 0.600 peak 1035 weight 0.10000E+01 volume 0.44180E+01 ppm1 0.701 ppm2 0.863
ASSI (
(( segid " " and resid 52 and name HD23))
OR
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OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
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2.600 0.800 0.800 peak 1036 weight 0.10000E+01 volume 0.10060E+01 ppm1 0.703 ppm2 2.178
ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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2.800 1.000 1.000 peak 1038 weight 0.10000E+01 volume 0.71600E+00 ppm1 0.699 ppm2 1.783
ASSI (
(( segid " " and resid 52 and name HD23))
OR
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OR
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OR
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OR
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3.700 1.700 1.700 peak 1041 weight 0.10000E+01 volume 0.20000E+00 ppm1 0.704 ppm2 3.828
ASSI (
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OR
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OR
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OR
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OR
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OR
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3.100 1.200 1.200 peak 1042 weight 0.10000E+01 volume 0.32900E+00 ppm1 0.702 ppm2 3.113
ASSI (
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OR
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OR
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OR
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OR
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3.000 1.100 1.100 peak 1043 weight 0.10000E+01 volume 0.45600E+00 ppm1 0.701 ppm2 2.515
ASSI (
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OR
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OR
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OR
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2.600 0.800 0.800 peak 1044 weight 0.10000E+01 volume 0.14250E+01 ppm1 0.701 ppm2 4.632
ASSI (
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OR
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OR
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OR
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OR
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3.000 1.100 1.100 peak 1046 weight 0.10000E+01 volume 0.38800E+00 ppm1 0.704 ppm2 8.437
ASSI (
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OR
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OR
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OR
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OR
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3.700 1.700 1.700 peak 1048 weight 0.10000E+01 volume 0.11500E+00 ppm1 0.703 ppm2 7.420
ASSI (
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OR
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OR
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OR
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3.700 1.700 1.700 peak 1049 weight 0.10000E+01 volume 0.23400E+00 ppm1 0.703 ppm2 6.580
ASSI (
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OR
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OR
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OR
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2.700 0.900 0.900 peak 1050 weight 0.10000E+01 volume 0.73100E+00 ppm1 0.699 ppm2 8.980
ASSI (
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OR
(( segid " " and resid 77 and name HD12))
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(( segid " " and resid 77 and name HD11))
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OR
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OR
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OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
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3.000 1.100 1.100 peak 1051 weight 0.10000E+01 volume 0.89400E+00 ppm1 0.722 ppm2 0.550
ASSI (
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)(
(( segid " " and resid 77 and name HB3 ))
)
2.500 0.800 0.800 peak 1053 weight 0.10000E+01 volume 0.13740E+01 ppm1 0.722 ppm2 1.196
ASSI (
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)(
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
2.500 0.800 0.800 peak 1054 weight 0.10000E+01 volume 0.24350E+01 ppm1 0.722 ppm2 1.042
ASSI (
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)(
(( segid " " and resid 77 and name HB2 ))
)
2.100 0.600 0.600 peak 1056 weight 0.10000E+01 volume 0.31580E+01 ppm1 0.722 ppm2 1.741
ASSI (
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)(
(( segid " " and resid 75 and name HA ))
)
3.800 1.800 1.800 peak 1058 weight 0.10000E+01 volume 0.15600E+00 ppm1 0.728 ppm2 4.323
ASSI (
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)(
(( segid " " and resid 21 and name HB ))
)
3.700 1.700 1.700 peak 1059 weight 0.10000E+01 volume 0.11600E+00 ppm1 0.721 ppm2 3.961
ASSI (
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)(
(( segid " " and resid 24 and name H ))
)
3.000 1.100 1.100 peak 1062 weight 0.10000E+01 volume 0.39400E+00 ppm1 0.723 ppm2 9.281
ASSI (
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)(
(( segid " " and resid 78 and name H ))
)
2.600 0.800 0.800 peak 1063 weight 0.10000E+01 volume 0.99800E+00 ppm1 0.721 ppm2 8.976
ASSI (
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)
2.400 0.700 0.700 peak 1064 weight 0.10000E+01 volume 0.34860E+01 ppm1 0.761 ppm2 0.582
ASSI (
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
3.000 1.100 1.100 peak 1066 weight 0.10000E+01 volume 0.79000E+00 ppm1 0.763 ppm2 1.081
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 104 and name HB3 ))
OR
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 42 and name HB ))
OR
(( segid " " and resid 39 and name HB ))
OR
(( segid " " and resid 38 and name HG2 ))
)
3.300 1.400 1.400 peak 1067 weight 0.10000E+01 volume 0.22800E+00 ppm1 0.760 ppm2 2.008
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 91 and name HB ))
OR
(( segid " " and resid 78 and name HB ))
)
2.400 0.700 0.700 peak 1068 weight 0.10000E+01 volume 0.17070E+01 ppm1 0.761 ppm2 1.828
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 99 and name HB ))
OR
(( segid " " and resid 90 and name HG ))
OR
(( segid " " and resid 79 and name HB3 ))
OR
(( segid " " and resid 54 and name HB ))
OR
(( segid " " and resid 52 and name HB2 ))
OR
(( segid " " and resid 47 and name HB3 ))
)
2.900 1.100 1.100 peak 1069 weight 0.10000E+01 volume 0.52400E+00 ppm1 0.762 ppm2 1.578
ASSI (
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 110 and name HG ))
OR
(( segid " " and resid 88 and name HG ))
OR
(( segid " " and resid 24 and name HB ))
)
3.200 1.300 1.300 peak 1070 weight 0.10000E+01 volume 0.28400E+00 ppm1 0.764 ppm2 1.376
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
OR
(( segid " " and resid 38 and name HB3 ))
)
3.000 1.100 1.100 peak 1071 weight 0.10000E+01 volume 0.42300E+00 ppm1 0.762 ppm2 1.243
ASSI (
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 22 and name HB ))
)
3.600 1.600 1.600 peak 1072 weight 0.10000E+01 volume 0.13500E+00 ppm1 0.760 ppm2 3.671
ASSI (
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 78 and name HA ))
)
2.800 1.000 1.000 peak 1073 weight 0.10000E+01 volume 0.92100E+00 ppm1 0.761 ppm2 5.077
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 103 and name HA ))
OR
(( segid " " and resid 54 and name HA ))
)
3.100 1.200 1.200 peak 1074 weight 0.10000E+01 volume 0.50900E+00 ppm1 0.757 ppm2 4.840
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 104 and name H ))
OR
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 24 and name H ))
)
3.500 1.500 1.500 peak 1075 weight 0.10000E+01 volume 0.16400E+00 ppm1 0.762 ppm2 9.246
ASSI (
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 78 and name H ))
)
2.500 0.800 0.800 peak 1076 weight 0.10000E+01 volume 0.11910E+01 ppm1 0.760 ppm2 9.028
ASSI (
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)(
(( segid " " and resid 55 and name H ))
OR
(( segid " " and resid 41 and name H ))
)
3.400 1.400 1.400 peak 1077 weight 0.10000E+01 volume 0.18600E+00 ppm1 0.765 ppm2 8.612
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)(
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.500 0.800 0.800 peak 1078 weight 0.10000E+01 volume 0.11910E+01 ppm1 0.662 ppm2 1.759
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)(
(( segid " " and resid 88 and name HG ))
)
2.600 0.800 0.800 peak 1079 weight 0.10000E+01 volume 0.93900E+00 ppm1 0.663 ppm2 1.334
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
)(
(( segid " " and resid 110 and name HB3 ))
OR
(( segid " " and resid 38 and name HB3 ))
)
2.800 1.000 1.000 peak 1080 weight 0.10000E+01 volume 0.70300E+00 ppm1 0.667 ppm2 1.174
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 88 and name HB3 ))
OR
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
2.600 0.800 0.800 peak 1081 weight 0.10000E+01 volume 0.10290E+01 ppm1 0.669 ppm2 0.998
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
)(
(( segid " " and resid 109 and name HB3 ))
OR
(( segid " " and resid 90 and name HB3 ))
)
2.900 1.100 1.100 peak 1082 weight 0.10000E+01 volume 0.56000E+00 ppm1 0.663 ppm2 2.238
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 105 and name HB3 ))
OR
(( segid " " and resid 89 and name HG3 ))
)
2.700 0.900 0.900 peak 1083 weight 0.10000E+01 volume 0.87700E+00 ppm1 0.682 ppm2 2.138
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 109 and name HB2 ))
OR
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.400 0.700 0.700 peak 1084 weight 0.10000E+01 volume 0.17220E+01 ppm1 0.676 ppm2 2.001
ASSI (
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 89 and name HA ))
OR
(( segid " " and resid 87 and name HA ))
)
2.700 0.900 0.900 peak 1086 weight 0.10000E+01 volume 0.11930E+01 ppm1 0.679 ppm2 4.855
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 109 and name HA ))
OR
(( segid " " and resid 37 and name HA ))
)
3.300 1.400 1.400 peak 1087 weight 0.10000E+01 volume 0.40400E+00 ppm1 0.677 ppm2 4.537
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 88 and name HA ))
)
3.300 1.400 1.400 peak 1088 weight 0.10000E+01 volume 0.35600E+00 ppm1 0.668 ppm2 4.423
ASSI (
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 108 and name HA ))
OR
(( segid " " and resid 106 and name HA ))
)
3.300 1.400 1.400 peak 1089 weight 0.10000E+01 volume 0.34000E+00 ppm1 0.682 ppm2 4.715
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)(
(( segid " " and resid 91 and name H ))
)
3.100 1.200 1.200 peak 1091 weight 0.10000E+01 volume 0.38600E+00 ppm1 0.661 ppm2 9.419
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)(
(( segid " " and resid 38 and name H ))
)
3.700 1.700 1.700 peak 1092 weight 0.10000E+01 volume 0.12900E+00 ppm1 0.654 ppm2 8.011
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
)
2.600 0.800 0.800 peak 1093 weight 0.10000E+01 volume 0.11070E+01 ppm1 0.678 ppm2 9.209
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 111 and name H ))
OR
(( segid " " and resid 110 and name H ))
OR
(( segid " " and resid 37 and name H ))
)
3.300 1.400 1.400 peak 1094 weight 0.10000E+01 volume 0.23700E+00 ppm1 0.672 ppm2 9.079
ASSI (
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG21))
)(
(( segid " " and resid 89 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
2.800 1.000 1.000 peak 1095 weight 0.10000E+01 volume 0.67000E+00 ppm1 0.669 ppm2 8.683
ASSI (
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 88 and name HA ))
OR
(( segid " " and resid 81 and name HA ))
OR
(( segid " " and resid 80 and name HD2 ))
)
2.500 0.800 0.800 peak 1098 weight 0.10000E+01 volume 0.20390E+01 ppm1 0.787 ppm2 4.440
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 113 and name HA ))
OR
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 55 and name HA ))
OR
(( segid " " and resid 19 and name HA3 ))
)
3.200 1.300 1.300 peak 1099 weight 0.10000E+01 volume 0.43700E+00 ppm1 0.802 ppm2 4.271
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 83 and name HA ))
OR
(( segid " " and resid 21 and name HB ))
)
2.500 0.800 0.800 peak 1100 weight 0.10000E+01 volume 0.18640E+01 ppm1 0.813 ppm2 3.945
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
OR
(( segid " " and resid 18 and name HA ))
)
2.400 0.700 0.700 peak 1102 weight 0.10000E+01 volume 0.25900E+01 ppm1 0.798 ppm2 3.251
ASSI (
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
)(
(( segid " " and resid 38 and name HD2 ))
)
2.500 0.800 0.800 peak 1103 weight 0.10000E+01 volume 0.11340E+01 ppm1 0.788 ppm2 2.392
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 80 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.200 0.600 0.600 peak 1104 weight 0.10000E+01 volume 0.25850E+01 ppm1 0.790 ppm2 1.991
ASSI (
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
)(
(( segid " " and resid 88 and name HB3 ))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
3.300 1.400 1.400 peak 1106 weight 0.10000E+01 volume 0.38700E+00 ppm1 0.824 ppm2 1.025
ASSI (
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
)(
(( segid " " and resid 88 and name HB3 ))
OR
(( segid " " and resid 55 and name HG23))
OR
(( segid " " and resid 55 and name HG22))
OR
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
2.300 0.700 0.700 peak 1107 weight 0.10000E+01 volume 0.25120E+01 ppm1 0.788 ppm2 0.976
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
)(
(( segid " " and resid 112 and name HB ))
)
2.400 0.700 0.700 peak 1108 weight 0.10000E+01 volume 0.17020E+01 ppm1 0.817 ppm2 2.657
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 80 and name HG3 ))
OR
(( segid " " and resid 80 and name HB3 ))
)
2.500 0.800 0.800 peak 1109 weight 0.10000E+01 volume 0.14050E+01 ppm1 0.813 ppm2 2.216
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 83 and name HB3 ))
OR
(( segid " " and resid 81 and name HB2 ))
OR
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)
2.200 0.600 0.600 peak 1111 weight 0.10000E+01 volume 0.30460E+01 ppm1 0.797 ppm2 1.732
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 83 and name HG3 ))
OR
(( segid " " and resid 77 and name HG ))
)
2.200 0.600 0.600 peak 1112 weight 0.10000E+01 volume 0.25680E+01 ppm1 0.798 ppm2 1.507
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
)(
(( segid " " and resid 24 and name HG12))
OR
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
OR
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
2.800 1.000 1.000 peak 1113 weight 0.10000E+01 volume 0.12040E+01 ppm1 0.810 ppm2 1.102
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 108 and name HA ))
OR
(( segid " " and resid 82 and name HA ))
OR
(( segid " " and resid 16 and name HA ))
)
2.900 1.100 1.100 peak 1115 weight 0.10000E+01 volume 0.76100E+00 ppm1 0.797 ppm2 4.726
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 79 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
2.800 1.000 1.000 peak 1116 weight 0.10000E+01 volume 0.10550E+01 ppm1 0.808 ppm2 5.509
ASSI (
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( 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 H ))
OR
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
OR
(( segid " " and resid 76 and name H ))
)
3.400 1.400 1.400 peak 1117 weight 0.10000E+01 volume 0.19400E+00 ppm1 0.788 ppm2 9.209
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 82 and name H ))
OR
(( segid " " and resid 38 and name HE ))
)
2.700 0.900 0.900 peak 1118 weight 0.10000E+01 volume 0.84400E+00 ppm1 0.789 ppm2 7.431
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 84 and name H ))
OR
(( segid " " and resid 81 and name H ))
OR
(( segid " " and resid 78 and name H ))
)
2.700 0.900 0.900 peak 1119 weight 0.10000E+01 volume 0.73100E+00 ppm1 0.813 ppm2 8.994
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 108 and name H ))
OR
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 18 and name H ))
)
2.100 0.600 0.600 peak 1120 weight 0.10000E+01 volume 0.37470E+01 ppm1 0.796 ppm2 8.697
ASSI (
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)(
(( segid " " and resid 113 and name H ))
OR
(( segid " " and resid 19 and name H ))
)
2.500 0.800 0.800 peak 1121 weight 0.10000E+01 volume 0.12890E+01 ppm1 0.808 ppm2 8.362
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 91 and name H ))
)
3.000 1.100 1.100 peak 1122 weight 0.10000E+01 volume 0.41100E+00 ppm1 0.894 ppm2 9.419
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 91 and name HA ))
)
2.700 0.900 0.900 peak 1123 weight 0.10000E+01 volume 0.13160E+01 ppm1 0.892 ppm2 5.191
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 39 and name HA ))
)
2.400 0.700 0.700 peak 1124 weight 0.10000E+01 volume 0.24160E+01 ppm1 0.897 ppm2 3.464
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 39 and name H ))
)
2.400 0.700 0.700 peak 1125 weight 0.10000E+01 volume 0.17560E+01 ppm1 0.902 ppm2 8.664
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 40 and name H ))
)
3.000 1.100 1.100 peak 1126 weight 0.10000E+01 volume 0.38800E+00 ppm1 0.902 ppm2 8.412
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 92 and name H ))
)
2.600 0.800 0.800 peak 1127 weight 0.10000E+01 volume 0.10580E+01 ppm1 0.894 ppm2 8.119
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 103 and name HD22))
OR
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 100 and name H ))
)
3.300 1.400 1.400 peak 1128 weight 0.10000E+01 volume 0.26500E+00 ppm1 0.891 ppm2 7.770
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 105 and name HE ))
)
3.200 1.300 1.300 peak 1129 weight 0.10000E+01 volume 0.28600E+00 ppm1 0.905 ppm2 7.189
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 90 and name HA ))
)
3.600 1.600 1.600 peak 1131 weight 0.10000E+01 volume 0.20300E+00 ppm1 0.903 ppm2 5.660
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 105 and name HA ))
)
3.400 1.400 1.400 peak 1132 weight 0.10000E+01 volume 0.31000E+00 ppm1 0.895 ppm2 5.371
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
)
2.500 0.800 0.800 peak 1133 weight 0.10000E+01 volume 0.17750E+01 ppm1 0.898 ppm2 5.165
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 103 and name HA ))
)
3.300 1.400 1.400 peak 1134 weight 0.10000E+01 volume 0.39400E+00 ppm1 0.891 ppm2 4.841
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 103 and name HB3 ))
)
2.300 0.700 0.700 peak 1135 weight 0.10000E+01 volume 0.21780E+01 ppm1 0.892 ppm2 3.100
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 103 and name HB2 ))
)
2.600 0.800 0.800 peak 1136 weight 0.10000E+01 volume 0.10930E+01 ppm1 0.893 ppm2 2.579
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 39 and name HB ))
)
2.100 0.600 0.600 peak 1137 weight 0.10000E+01 volume 0.41440E+01 ppm1 0.903 ppm2 2.025
ASSI (
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)(
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 91 and name HB ))
)
2.100 0.600 0.600 peak 1138 weight 0.10000E+01 volume 0.41440E+01 ppm1 0.892 ppm2 1.786
ASSI (
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)(
(( segid " " and resid 105 and name HB3 ))
OR
(( segid " " and resid 89 and name HG3 ))
)
2.500 0.800 0.800 peak 1139 weight 0.10000E+01 volume 0.12970E+01 ppm1 0.898 ppm2 2.132
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 79 and name HA ))
)
4.100 2.100 1.900 peak 1140 weight 0.10000E+01 volume 0.10000E+00 ppm1 1.049 ppm2 5.497
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 23 and name HA ))
)
3.800 1.800 1.800 peak 1141 weight 0.10000E+01 volume 0.15300E+00 ppm1 1.044 ppm2 5.289
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 22 and name HA ))
)
3.900 1.900 1.900 peak 1142 weight 0.10000E+01 volume 0.13800E+00 ppm1 1.050 ppm2 4.364
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 77 and name HA ))
)
3.100 1.200 1.200 peak 1143 weight 0.10000E+01 volume 0.52500E+00 ppm1 1.043 ppm2 5.029
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 21 and name HA ))
)
2.700 0.900 0.900 peak 1144 weight 0.10000E+01 volume 0.11170E+01 ppm1 1.047 ppm2 4.797
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 21 and name HB ))
)
2.400 0.700 0.700 peak 1145 weight 0.10000E+01 volume 0.15980E+01 ppm1 1.047 ppm2 3.977
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 77 and name HB2 ))
)
2.600 0.800 0.800 peak 1147 weight 0.10000E+01 volume 0.91200E+00 ppm1 1.047 ppm2 1.727
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 79 and name HB3 ))
OR
(( segid " " and resid 77 and name HG ))
)
2.900 1.100 1.100 peak 1148 weight 0.10000E+01 volume 0.49400E+00 ppm1 1.046 ppm2 1.532
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 77 and name HB3 ))
)
2.600 0.800 0.800 peak 1149 weight 0.10000E+01 volume 0.10220E+01 ppm1 1.048 ppm2 1.211
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 76 and name HG23))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.600 1.600 1.600 peak 1150 weight 0.10000E+01 volume 0.26100E+00 ppm1 1.049 ppm2 0.559
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 78 and name H ))
)
2.800 1.000 1.000 peak 1153 weight 0.10000E+01 volume 0.63000E+00 ppm1 1.046 ppm2 8.992
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 22 and name H ))
)
2.700 0.900 0.900 peak 1154 weight 0.10000E+01 volume 0.76600E+00 ppm1 1.047 ppm2 9.519
ASSI (
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)(
(( segid " " and resid 21 and name H ))
)
2.800 1.000 1.000 peak 1155 weight 0.10000E+01 volume 0.67100E+00 ppm1 1.048 ppm2 8.798
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 42 and name HA ))
)
2.700 0.900 0.900 peak 1156 weight 0.10000E+01 volume 0.11520E+01 ppm1 1.020 ppm2 3.717
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 93 and name HB ))
OR
(( segid " " and resid 39 and name HA ))
)
3.000 1.100 1.100 peak 1157 weight 0.10000E+01 volume 0.61500E+00 ppm1 1.019 ppm2 3.466
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 42 and name HB ))
)
2.300 0.700 0.700 peak 1158 weight 0.10000E+01 volume 0.19460E+01 ppm1 1.019 ppm2 2.033
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 99 and name HG13))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.800 1.000 1.000 peak 1159 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.018 ppm2 1.684
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.200 0.600 0.600 peak 1160 weight 0.10000E+01 volume 0.50440E+01 ppm1 1.019 ppm2 0.860
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)
2.800 1.000 1.000 peak 1161 weight 0.10000E+01 volume 0.13880E+01 ppm1 1.021 ppm2 0.679
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 43 and name H ))
)
3.300 1.400 1.400 peak 1162 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.019 ppm2 8.877
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 42 and name H ))
)
2.400 0.700 0.700 peak 1163 weight 0.10000E+01 volume 0.16010E+01 ppm1 1.018 ppm2 7.788
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
3.100 1.200 1.200 peak 1164 weight 0.10000E+01 volume 0.37900E+00 ppm1 1.019 ppm2 8.626
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 40 and name H ))
)
3.100 1.200 1.200 peak 1165 weight 0.10000E+01 volume 0.35200E+00 ppm1 1.020 ppm2 8.403
ASSI (
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
)(
(( segid " " and resid 99 and name H ))
OR
(( segid " " and resid 38 and name H ))
)
3.400 1.400 1.400 peak 1166 weight 0.10000E+01 volume 0.20000E+00 ppm1 1.017 ppm2 7.977
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 97 and name HG3 ))
OR
(( segid " " and resid 97 and name HG2 ))
OR
(( segid " " and resid 95 and name HB3 ))
OR
(( segid " " and resid 34 and name HB2 ))
)
2.600 0.800 0.800 peak 1177 weight 0.10000E+01 volume 0.55400E+00 ppm1 1.192 ppm2 2.071
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 97 and name HG3 ))
OR
(( segid " " and resid 97 and name HG2 ))
OR
(( segid " " and resid 95 and name HB3 ))
OR
(( segid " " and resid 34 and name HB2 ))
)
2.900 1.100 1.100 peak 1179 weight 0.10000E+01 volume 0.25200E+00 ppm1 0.947 ppm2 2.062
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
OR
(( segid " " and resid 95 and name HG2 ))
)
2.800 1.000 1.000 peak 1181 weight 0.10000E+01 volume 0.33900E+00 ppm1 0.933 ppm2 1.731
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 95 and name HD2 ))
OR
(( segid " " and resid 95 and name HA ))
)
3.400 1.400 1.400 peak 1186 weight 0.10000E+01 volume 0.11300E+00 ppm1 0.929 ppm2 3.802
ASSI (
(( segid " " and resid 99 and name HG13))
OR
(( segid " " and resid 44 and name HD3 ))
)(
(( segid " " and resid 98 and name HA3 ))
OR
(( segid " " and resid 93 and name HB ))
OR
(( segid " " and resid 41 and name HB3 ))
OR
(( segid " " and resid 39 and name HA ))
)
2.900 1.100 1.100 peak 1196 weight 0.10000E+01 volume 0.34700E+00 ppm1 1.681 ppm2 3.500
ASSI (
(( segid " " and resid 99 and name HG12))
)(
(( segid " " and resid 98 and name HA3 ))
OR
(( segid " " and resid 93 and name HB ))
)
3.300 1.400 1.400 peak 1197 weight 0.10000E+01 volume 0.13800E+00 ppm1 1.028 ppm2 3.473
ASSI (
(( segid " " and resid 51 and name HG12))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
2.700 0.900 0.900 peak 1201 weight 0.10000E+01 volume 0.80300E+00 ppm1 1.068 ppm2 0.292
ASSI (
(( segid " " and resid 51 and name HG12))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
)
3.200 1.300 1.300 peak 1204 weight 0.10000E+01 volume 0.15300E+00 ppm1 1.074 ppm2 2.949
ASSI (
(( segid " " and resid 51 and name HG12))
)(
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)
3.200 1.300 1.300 peak 1205 weight 0.10000E+01 volume 0.16400E+00 ppm1 1.065 ppm2 2.298
ASSI (
(( segid " " and resid 110 and name HG ))
OR
(( segid " " and resid 88 and name HG ))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
)
3.000 1.100 1.100 peak 1211 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.347 ppm2 9.223
ASSI (
(( segid " " and resid 108 and name HG ))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
)
3.100 1.200 1.200 peak 1212 weight 0.10000E+01 volume 0.18900E+00 ppm1 1.267 ppm2 9.223
ASSI (
(( segid " " and resid 110 and name HG ))
)(
(( segid " " and resid 111 and name H ))
OR
(( segid " " and resid 110 and name H ))
)
2.800 1.000 1.000 peak 1213 weight 0.10000E+01 volume 0.37100E+00 ppm1 1.373 ppm2 9.101
ASSI (
(( segid " " and resid 88 and name HG ))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.600 0.800 0.800 peak 1216 weight 0.10000E+01 volume 0.52400E+00 ppm1 1.356 ppm2 2.021
ASSI (
(( segid " " and resid 77 and name HG ))
OR
(( segid " " and resid 30 and name HG3 ))
)(
(( segid " " and resid 55 and name HB ))
OR
(( segid " " and resid 30 and name HB2 ))
)
2.400 0.700 0.700 peak 1224 weight 0.10000E+01 volume 0.82300E+00 ppm1 1.500 ppm2 1.924
ASSI (
(( segid " " and resid 2 and name HG13))
)(
(( segid " " and resid 2 and name HD13))
OR
(( segid " " and resid 2 and name HD12))
OR
(( segid " " and resid 2 and name HD11))
)
3.800 1.800 1.800 peak 1226 weight 0.10000E+01 volume 0.10400E+00 ppm1 1.454 ppm2 0.832
ASSI (
(( segid " " and resid 77 and name HG ))
)(
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.200 0.600 0.600 peak 1227 weight 0.10000E+01 volume 0.29900E+01 ppm1 1.513 ppm2 0.754
ASSI (
(( segid " " and resid 52 and name HG ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 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))
)
2.800 1.000 1.000 peak 1228 weight 0.10000E+01 volume 0.64500E+00 ppm1 1.479 ppm2 0.833
ASSI (
(( segid " " and resid 52 and name HG ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 52 and name HB3 ))
)
2.900 1.100 1.100 peak 1229 weight 0.10000E+01 volume 0.32300E+00 ppm1 1.497 ppm2 0.852
ASSI (
(( segid " " and resid 52 and name HG ))
)(
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
2.200 0.600 0.600 peak 1230 weight 0.10000E+01 volume 0.25430E+01 ppm1 1.480 ppm2 0.687
ASSI (
(( segid " " and resid 52 and name HG ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
2.700 0.900 0.900 peak 1231 weight 0.10000E+01 volume 0.88500E+00 ppm1 1.481 ppm2 0.294
ASSI (
(( segid " " and resid 52 and name HG ))
OR
(( segid " " and resid 30 and name HG3 ))
)(
(( segid " " and resid 86 and name HA ))
OR
(( segid " " and resid 29 and name HA ))
)
3.300 1.400 1.400 peak 1233 weight 0.10000E+01 volume 0.18500E+00 ppm1 1.493 ppm2 5.265
ASSI (
(( segid " " and resid 38 and name HB2 ))
)(
(( segid " " and resid 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
3.400 1.400 1.400 peak 1243 weight 0.10000E+01 volume 0.99000E-01 ppm1 1.658 ppm2 8.662
ASSI (
(( segid " " and resid 38 and name HB3 ))
)(
(( segid " " and resid 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
3.100 1.200 1.200 peak 1244 weight 0.10000E+01 volume 0.17600E+00 ppm1 1.211 ppm2 8.663
ASSI (
(( segid " " and resid 38 and name HB3 ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
2.700 0.900 0.900 peak 1251 weight 0.10000E+01 volume 0.82000E+00 ppm1 1.199 ppm2 0.884
ASSI (
(( segid " " and resid 38 and name HB3 ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)
3.000 1.100 1.100 peak 1252 weight 0.10000E+01 volume 0.45900E+00 ppm1 1.212 ppm2 0.662
ASSI (
(( segid " " and resid 38 and name HB2 ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.700 0.900 0.900 peak 1255 weight 0.10000E+01 volume 0.73200E+00 ppm1 1.645 ppm2 0.891
ASSI (
(( segid " " and resid 38 and name HB2 ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)
2.900 1.100 1.100 peak 1256 weight 0.10000E+01 volume 0.49900E+00 ppm1 1.635 ppm2 0.636
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.300 0.700 0.700 peak 1264 weight 0.10000E+01 volume 0.31050E+01 ppm1 3.260 ppm2 0.806
ASSI (
(( segid " " and resid 39 and name HA ))
)(
(( segid " " and resid 42 and name HB ))
OR
(( segid " " and resid 39 and name HB ))
)
2.600 0.800 0.800 peak 1268 weight 0.10000E+01 volume 0.85900E+00 ppm1 3.463 ppm2 2.032
ASSI (
(( segid " " and resid 39 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))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)
2.300 0.700 0.700 peak 1269 weight 0.10000E+01 volume 0.34650E+01 ppm1 3.463 ppm2 0.927
ASSI (
(( segid " " and resid 39 and name HA ))
)(
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)
3.000 1.100 1.100 peak 1270 weight 0.10000E+01 volume 0.62600E+00 ppm1 3.463 ppm2 0.744
ASSI (
(( segid " " and resid 39 and name HA ))
)(
(( segid " " and resid 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
2.800 1.000 1.000 peak 1273 weight 0.10000E+01 volume 0.54700E+00 ppm1 3.466 ppm2 8.644
ASSI (
(( segid " " and resid 93 and name HB ))
)(
(( segid " " and resid 94 and name H ))
OR
(( segid " " and resid 93 and name H ))
)
2.700 0.900 0.900 peak 1277 weight 0.10000E+01 volume 0.42300E+00 ppm1 3.461 ppm2 8.215
ASSI (
(( segid " " and resid 93 and name HB ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)
2.500 0.800 0.800 peak 1278 weight 0.10000E+01 volume 0.11440E+01 ppm1 3.463 ppm2 0.902
ASSI (
(( segid " " and resid 93 and name HB ))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)
2.200 0.600 0.600 peak 1279 weight 0.10000E+01 volume 0.25480E+01 ppm1 3.465 ppm2 0.652
ASSI (
(( segid " " and resid 93 and name HB ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 42 and name HG23))
)
3.000 1.100 1.100 peak 1280 weight 0.10000E+01 volume 0.20300E+00 ppm1 3.463 ppm2 1.041
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
2.700 0.900 0.900 peak 1289 weight 0.10000E+01 volume 0.74000E+00 ppm1 3.156 ppm2 7.170
ASSI (
(( segid " " and resid 96 and name HB3 ))
)(
(( segid " " and resid 96 and name HD2 ))
OR
(( segid " " and resid 96 and name HD1 ))
)
2.600 0.800 0.800 peak 1290 weight 0.10000E+01 volume 0.10220E+01 ppm1 3.041 ppm2 7.177
ASSI (
(( segid " " and resid 17 and name HB3 ))
)(
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HB3 ))
)
2.900 1.100 1.100 peak 1303 weight 0.10000E+01 volume 0.28300E+00 ppm1 2.755 ppm2 1.693
ASSI (
(( segid " " and resid 17 and name HB3 ))
)(
(( segid " " and resid 113 and name HB3 ))
OR
(( segid " " and resid 20 and name HD3 ))
)
2.800 1.000 1.000 peak 1304 weight 0.10000E+01 volume 0.36800E+00 ppm1 2.759 ppm2 1.455
ASSI (
(( segid " " and resid 17 and name HB3 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
3.700 1.700 1.700 peak 1306 weight 0.10000E+01 volume 0.12100E+00 ppm1 2.784 ppm2 0.810
ASSI (
(( segid " " and resid 17 and name HB2 ))
)(
(( segid " " and resid 113 and name HB2 ))
OR
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 18 and name HB ))
)
3.300 1.400 1.400 peak 1307 weight 0.10000E+01 volume 0.12600E+00 ppm1 3.354 ppm2 1.901
ASSI (
(( segid " " and resid 17 and name HB2 ))
)(
(( segid " " and resid 20 and name HG3 ))
OR
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HB3 ))
)
3.100 1.200 1.200 peak 1308 weight 0.10000E+01 volume 0.17800E+00 ppm1 3.354 ppm2 1.692
ASSI (
(( segid " " and resid 17 and name HB2 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
3.000 1.100 1.100 peak 1310 weight 0.10000E+01 volume 0.42600E+00 ppm1 3.351 ppm2 0.826
ASSI (
(( segid " " and resid 17 and name HB2 ))
)(
(( segid " " and resid 113 and name HB3 ))
OR
(( segid " " and resid 83 and name HG3 ))
OR
(( segid " " and resid 20 and name HD3 ))
)
2.800 1.000 1.000 peak 1311 weight 0.10000E+01 volume 0.31800E+00 ppm1 3.360 ppm2 1.472
ASSI (
(( segid " " and resid 25 and name HB3 ))
OR
(( segid " " and resid 13 and name HB2 ))
)(
(( segid " " and resid 26 and name H ))
OR
(( segid " " and resid 13 and name H ))
)
2.300 0.700 0.700 peak 1312 weight 0.10000E+01 volume 0.11100E+01 ppm1 3.172 ppm2 8.939
ASSI (
(( segid " " and resid 25 and name HB3 ))
)(
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)
3.300 1.400 1.400 peak 1322 weight 0.10000E+01 volume 0.23400E+00 ppm1 3.146 ppm2 0.651
ASSI (
(( segid " " and resid 25 and name HB2 ))
)(
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)
2.900 1.100 1.100 peak 1323 weight 0.10000E+01 volume 0.47500E+00 ppm1 2.752 ppm2 0.664
ASSI (
(( segid " " and resid 25 and name HB3 ))
)(
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
OR
(( segid " " and resid 26 and name HB2 ))
)
2.900 1.100 1.100 peak 1324 weight 0.10000E+01 volume 0.46400E+00 ppm1 3.148 ppm2 0.505
ASSI (
(( segid " " and resid 85 and name HB3 ))
OR
(( segid " " and resid 85 and name HB2 ))
)(
(( segid " " and resid 85 and name HA ))
)
2.400 0.700 0.700 peak 1333 weight 0.10000E+01 volume 0.12390E+01 ppm1 3.017 ppm2 5.250
ASSI (
(( segid " " and resid 56 and name HB3 ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
)
2.700 0.900 0.900 peak 1336 weight 0.10000E+01 volume 0.76600E+00 ppm1 2.988 ppm2 0.877
ASSI (
(( segid " " and resid 56 and name HB3 ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.900 1.100 1.100 peak 1337 weight 0.10000E+01 volume 0.50300E+00 ppm1 2.988 ppm2 0.558
ASSI (
(( segid " " and resid 85 and name HB3 ))
OR
(( segid " " and resid 85 and name HB2 ))
)(
(( segid " " and resid 85 and name HD2 ))
)
3.400 1.400 1.400 peak 1338 weight 0.10000E+01 volume 0.18500E+00 ppm1 2.998 ppm2 7.007
ASSI (
(( segid " " and resid 85 and name HB3 ))
OR
(( segid " " and resid 85 and name HB2 ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 86 and name H ))
)
2.800 1.000 1.000 peak 1341 weight 0.10000E+01 volume 0.32600E+00 ppm1 3.016 ppm2 8.787
ASSI (
(( segid " " and resid 85 and name HB3 ))
OR
(( segid " " and resid 85 and name HB2 ))
)(
(( segid " " and resid 85 and name H ))
)
2.300 0.700 0.700 peak 1342 weight 0.10000E+01 volume 0.12100E+01 ppm1 3.009 ppm2 8.295
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
)
2.900 1.100 1.100 peak 1346 weight 0.10000E+01 volume 0.57400E+00 ppm1 2.376 ppm2 0.877
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.700 0.900 0.900 peak 1347 weight 0.10000E+01 volume 0.82700E+00 ppm1 2.375 ppm2 0.559
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 37 and name HA ))
OR
(( segid " " and resid 35 and name HA ))
)
3.300 1.400 1.400 peak 1350 weight 0.10000E+01 volume 0.18600E+00 ppm1 2.410 ppm2 4.543
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 43 and name HA3 ))
OR
(( segid " " and resid 42 and name HA ))
)
3.500 1.500 1.500 peak 1354 weight 0.10000E+01 volume 0.12900E+00 ppm1 2.419 ppm2 3.722
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 58 and name HB2 ))
OR
(( segid " " and resid 36 and name HB2 ))
)
3.100 1.200 1.200 peak 1357 weight 0.10000E+01 volume 0.19900E+00 ppm1 2.411 ppm2 2.609
ASSI (
(( segid " " and resid 53 and name HB3 ))
)(
(( segid " " and resid 53 and name HG3 ))
OR
(( segid " " and resid 53 and name HB2 ))
)
1.800 0.400 0.400 peak 1358 weight 0.10000E+01 volume 0.51070E+01 ppm1 2.171 ppm2 1.933
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)
3.400 1.400 1.400 peak 1363 weight 0.10000E+01 volume 0.18500E+00 ppm1 2.159 ppm2 0.659
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
OR
(( segid " " and resid 90 and name HD23))
)
3.400 1.400 1.400 peak 1364 weight 0.10000E+01 volume 0.18700E+00 ppm1 2.415 ppm2 0.641
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
3.600 1.600 1.600 peak 1365 weight 0.10000E+01 volume 0.15500E+00 ppm1 2.411 ppm2 1.023
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
3.300 1.400 1.400 peak 1366 weight 0.10000E+01 volume 0.22500E+00 ppm1 2.159 ppm2 1.024
ASSI (
(( segid " " and resid 36 and name HB2 ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
OR
(( segid " " and resid 36 and name HE3 ))
)
3.200 1.300 1.300 peak 1371 weight 0.10000E+01 volume 0.26400E+00 ppm1 2.591 ppm2 7.191
ASSI (
(( segid " " and resid 36 and name HB2 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 34 and name HB3 ))
)
2.900 1.100 1.100 peak 1374 weight 0.10000E+01 volume 0.49100E+00 ppm1 2.590 ppm2 0.560
ASSI (
(( segid " " and resid 36 and name HB3 ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
OR
(( segid " " and resid 36 and name HE3 ))
)
3.200 1.300 1.300 peak 1375 weight 0.10000E+01 volume 0.28700E+00 ppm1 1.996 ppm2 7.179
ASSI (
(( segid " " and resid 112 and name HB ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
)
1.900 0.500 0.500 peak 1379 weight 0.10000E+01 volume 0.68620E+01 ppm1 2.655 ppm2 0.853
ASSI (
(( segid " " and resid 112 and name HB ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 86 and name H ))
)
2.500 0.800 0.800 peak 1382 weight 0.10000E+01 volume 0.66000E+00 ppm1 2.650 ppm2 8.777
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
)
2.800 1.000 1.000 peak 1387 weight 0.10000E+01 volume 0.36100E+00 ppm1 2.521 ppm2 9.180
ASSI (
(( segid " " and resid 86 and name HB3 ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 86 and name H ))
)
3.000 1.100 1.100 peak 1388 weight 0.10000E+01 volume 0.21300E+00 ppm1 3.128 ppm2 8.805
ASSI (
(( segid " " and resid 86 and name HB3 ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 82 and name HD3 ))
)
3.200 1.300 1.300 peak 1392 weight 0.10000E+01 volume 0.14000E+00 ppm1 3.110 ppm2 1.653
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)
3.400 1.400 1.400 peak 1393 weight 0.10000E+01 volume 0.19100E+00 ppm1 2.537 ppm2 0.877
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 110 and name HB2 ))
OR
(( segid " " and resid 82 and name HD3 ))
)
2.800 1.000 1.000 peak 1394 weight 0.10000E+01 volume 0.30300E+00 ppm1 2.534 ppm2 1.678
ASSI (
(( segid " " and resid 86 and name HB3 ))
)(
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
OR
(( segid " " and resid 51 and name HD12))
)
2.700 0.900 0.900 peak 1396 weight 0.10000E+01 volume 0.88100E+00 ppm1 3.122 ppm2 0.716
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
2.500 0.800 0.800 peak 1397 weight 0.10000E+01 volume 0.12640E+01 ppm1 2.526 ppm2 0.716
ASSI (
(( segid " " and resid 86 and name HB3 ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
3.100 1.200 1.200 peak 1398 weight 0.10000E+01 volume 0.34600E+00 ppm1 3.121 ppm2 0.299
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
3.500 1.500 1.500 peak 1399 weight 0.10000E+01 volume 0.17500E+00 ppm1 2.530 ppm2 0.300
ASSI (
(( segid " " and resid 104 and name HG2 ))
)(
(( segid " " and resid 104 and name H ))
OR
(( segid " " and resid 36 and name HE1 ))
)
2.800 1.000 1.000 peak 1406 weight 0.10000E+01 volume 0.35400E+00 ppm1 2.444 ppm2 9.220
ASSI (
(( segid " " and resid 104 and name HG3 ))
)(
(( segid " " and resid 104 and name H ))
OR
(( segid " " and resid 36 and name HE1 ))
)
2.900 1.100 1.100 peak 1407 weight 0.10000E+01 volume 0.29300E+00 ppm1 2.493 ppm2 9.207
ASSI (
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
)(
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 101 and name HA ))
)
2.400 0.700 0.700 peak 1410 weight 0.10000E+01 volume 0.14060E+01 ppm1 2.281 ppm2 4.217
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 50 and name HA ))
)
2.600 0.800 0.800 peak 1411 weight 0.10000E+01 volume 0.77200E+00 ppm1 2.283 ppm2 4.016
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 49 and name HB2 ))
)
3.000 1.100 1.100 peak 1412 weight 0.10000E+01 volume 0.20900E+00 ppm1 2.285 ppm2 3.274
ASSI (
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
OR
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 103 and name HB3 ))
OR
(( segid " " and resid 81 and name HD3 ))
)
3.100 1.200 1.200 peak 1413 weight 0.10000E+01 volume 0.18800E+00 ppm1 2.282 ppm2 3.069
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
)
2.600 0.800 0.800 peak 1414 weight 0.10000E+01 volume 0.48700E+00 ppm1 2.286 ppm2 2.948
ASSI (
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
OR
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)
1.300 0.200 0.900 peak 1418 weight 0.10000E+01 volume 0.27054E+02 ppm1 2.285 ppm2 2.052
ASSI (
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
OR
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
OR
(( segid " " and resid 100 and name HB3 ))
OR
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
OR
(( segid " " and resid 51 and name HG13))
)
2.500 0.800 0.800 peak 1419 weight 0.10000E+01 volume 0.60900E+00 ppm1 2.284 ppm2 1.479
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 51 and name HG12))
)
3.100 1.200 1.200 peak 1420 weight 0.10000E+01 volume 0.19200E+00 ppm1 2.281 ppm2 1.073
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
3.400 1.400 1.400 peak 1421 weight 0.10000E+01 volume 0.19700E+00 ppm1 2.286 ppm2 0.737
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 82 and name HA ))
OR
(( segid " " and resid 49 and name HA ))
)
3.400 1.400 1.400 peak 1422 weight 0.10000E+01 volume 0.16200E+00 ppm1 2.287 ppm2 4.704
ASSI (
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
)(
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 100 and name H ))
)
2.900 1.100 1.100 peak 1423 weight 0.10000E+01 volume 0.27000E+00 ppm1 2.286 ppm2 7.779
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 51 and name H ))
)
3.000 1.100 1.100 peak 1424 weight 0.10000E+01 volume 0.21500E+00 ppm1 2.289 ppm2 7.592
ASSI (
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
)(
(( segid " " and resid 102 and name H ))
)
2.400 0.700 0.700 peak 1425 weight 0.10000E+01 volume 0.76900E+00 ppm1 2.282 ppm2 8.852
ASSI (
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)(
(( segid " " and resid 50 and name H ))
)
2.600 0.800 0.800 peak 1426 weight 0.10000E+01 volume 0.58000E+00 ppm1 2.283 ppm2 8.597
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 82 and name HG2 ))
OR
(( segid " " and resid 82 and name HB3 ))
)
1.700 0.400 0.500 peak 1429 weight 0.10000E+01 volume 0.79180E+01 ppm1 1.954 ppm2 1.509
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
3.200 1.300 1.300 peak 1430 weight 0.10000E+01 volume 0.27500E+00 ppm1 1.961 ppm2 0.780
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
3.400 1.400 1.400 peak 1431 weight 0.10000E+01 volume 0.20300E+00 ppm1 1.964 ppm2 0.298
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
3.300 1.400 1.400 peak 1443 weight 0.10000E+01 volume 0.23600E+00 ppm1 1.515 ppm2 0.742
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
3.300 1.400 1.400 peak 1444 weight 0.10000E+01 volume 0.23500E+00 ppm1 1.511 ppm2 0.306
ASSI (
(( segid " " and resid 99 and name HB ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
)
2.300 0.700 0.700 peak 1445 weight 0.10000E+01 volume 0.22470E+01 ppm1 1.613 ppm2 0.937
ASSI (
(( segid " " and resid 51 and name HB ))
)(
(( segid " " and resid 52 and name HG ))
OR
(( segid " " and resid 51 and name HG13))
)
2.200 0.600 0.600 peak 1451 weight 0.10000E+01 volume 0.12720E+01 ppm1 1.763 ppm2 1.468
ASSI (
(( segid " " and resid 51 and name HB ))
)(
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
OR
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
2.500 0.800 0.800 peak 1453 weight 0.10000E+01 volume 0.12960E+01 ppm1 1.765 ppm2 0.723
ASSI (
(( segid " " and resid 51 and name HB ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
2.300 0.700 0.700 peak 1454 weight 0.10000E+01 volume 0.21230E+01 ppm1 1.766 ppm2 0.297
ASSI (
(( segid " " and resid 48 and name HB2 ))
)(
(( segid " " and resid 53 and name HA ))
OR
(( segid " " and resid 48 and name HA ))
)
2.500 0.800 0.800 peak 1471 weight 0.10000E+01 volume 0.90200E+00 ppm1 3.640 ppm2 4.563
ASSI (
(( segid " " and resid 48 and name HB3 ))
)(
(( segid " " and resid 53 and name HA ))
OR
(( segid " " and resid 48 and name HA ))
)
2.400 0.700 0.700 peak 1472 weight 0.10000E+01 volume 0.13630E+01 ppm1 4.068 ppm2 4.563
ASSI (
(( segid " " and resid 48 and name HB2 ))
)(
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)
3.000 1.100 1.100 peak 1475 weight 0.10000E+01 volume 0.40900E+00 ppm1 3.639 ppm2 1.145
ASSI (
(( segid " " and resid 48 and name HB3 ))
)(
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)
3.400 1.400 1.400 peak 1476 weight 0.10000E+01 volume 0.21700E+00 ppm1 4.071 ppm2 1.147
ASSI (
(( segid " " and resid 42 and name HA ))
)(
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
OR
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
2.500 0.800 0.800 peak 1483 weight 0.10000E+01 volume 0.20570E+01 ppm1 3.722 ppm2 1.020
ASSI (
(( segid " " and resid 42 and name HA ))
)(
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.600 0.800 0.800 peak 1484 weight 0.10000E+01 volume 0.17020E+01 ppm1 3.722 ppm2 0.857
ASSI (
(( segid " " and resid 95 and name HA ))
)(
(( segid " " and resid 99 and name HG13))
OR
(( segid " " and resid 97 and name HB2 ))
OR
(( segid " " and resid 95 and name HG2 ))
)
2.900 1.100 1.100 peak 1488 weight 0.10000E+01 volume 0.45600E+00 ppm1 3.834 ppm2 1.715
ASSI (
(( segid " " and resid 95 and name HA ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
OR
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
3.600 1.600 1.600 peak 1489 weight 0.10000E+01 volume 0.21200E+00 ppm1 3.830 ppm2 1.025
ASSI (
(( segid " " and resid 95 and name HA ))
)(
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.800 1.000 1.000 peak 1490 weight 0.10000E+01 volume 0.10530E+01 ppm1 3.828 ppm2 0.858
ASSI (
(( segid " " and resid 63 and name HB3 ))
)(
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
OR
(( segid " " and resid 68 and name HG11))
)
3.700 1.700 1.700 peak 1496 weight 0.10000E+01 volume 0.13000E+00 ppm1 3.930 ppm2 0.954
ASSI (
(( segid " " and resid 63 and name HB2 ))
)(
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
)
3.400 1.400 1.400 peak 1497 weight 0.10000E+01 volume 0.19700E+00 ppm1 3.815 ppm2 0.951
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 66 and name HG3 ))
OR
(( segid " " and resid 66 and name HB2 ))
)
2.500 0.800 0.800 peak 1507 weight 0.10000E+01 volume 0.96800E+00 ppm1 4.375 ppm2 1.947
ASSI (
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)(
(( segid " " and resid 62 and name HB3 ))
OR
(( segid " " and resid 4 and name HB3 ))
)
2.300 0.700 0.700 peak 1510 weight 0.10000E+01 volume 0.16330E+01 ppm1 4.415 ppm2 2.262
ASSI (
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)(
(( segid " " and resid 62 and name HB2 ))
OR
(( segid " " and resid 4 and name HB2 ))
)
2.200 0.600 0.600 peak 1511 weight 0.10000E+01 volume 0.19450E+01 ppm1 4.416 ppm2 1.921
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 23 and name HG2 ))
OR
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)
2.800 1.000 1.000 peak 1515 weight 0.10000E+01 volume 0.47800E+00 ppm1 4.365 ppm2 1.778
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
)
2.600 0.800 0.800 peak 1516 weight 0.10000E+01 volume 0.14040E+01 ppm1 4.368 ppm2 1.082
ASSI (
(( segid " " and resid 4 and name HA ))
)(
(( segid " " and resid 8 and name HD3 ))
OR
(( segid " " and resid 8 and name HD2 ))
)
3.200 1.300 1.300 peak 1517 weight 0.10000E+01 volume 0.22900E+00 ppm1 4.385 ppm2 1.739
ASSI (
(( segid " " and resid 32 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))
)
2.600 0.800 0.800 peak 1518 weight 0.10000E+01 volume 0.16830E+01 ppm1 4.365 ppm2 1.398
ASSI (
(( segid " " and resid 22 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)(
(( segid " " and resid 22 and name HB ))
OR
(( segid " " and resid 4 and name HD2 ))
)
3.200 1.300 1.300 peak 1520 weight 0.10000E+01 volume 0.21200E+00 ppm1 4.374 ppm2 3.669
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))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)
2.900 1.100 1.100 peak 1524 weight 0.10000E+01 volume 0.85800E+00 ppm1 4.204 ppm2 0.983
ASSI (
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 60 and name HA ))
)(
(( segid " " and resid 75 and name HB ))
OR
(( segid " " and resid 60 and name HB2 ))
)
2.400 0.700 0.700 peak 1527 weight 0.10000E+01 volume 0.11960E+01 ppm1 4.324 ppm2 1.851
ASSI (
(( segid " " and resid 60 and name HA ))
)(
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)
2.900 1.100 1.100 peak 1528 weight 0.10000E+01 volume 0.44900E+00 ppm1 4.334 ppm2 2.005
ASSI (
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 75 and name H ))
OR
(( segid " " and resid 47 and name H ))
)
2.100 0.600 0.600 peak 1531 weight 0.10000E+01 volume 0.27860E+01 ppm1 4.303 ppm2 8.839
ASSI (
(( segid " " and resid 70 and name HA ))
OR
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 70 and name HB ))
OR
(( segid " " and resid 46 and name HB ))
)
2.500 0.800 0.800 peak 1539 weight 0.10000E+01 volume 0.10060E+01 ppm1 4.302 ppm2 2.177
ASSI (
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 57 and name HB3 ))
OR
(( segid " " and resid 47 and name HG ))
)
2.600 0.800 0.800 peak 1540 weight 0.10000E+01 volume 0.80900E+00 ppm1 4.297 ppm2 1.680
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)
2.200 0.600 0.600 peak 1541 weight 0.10000E+01 volume 0.41010E+01 ppm1 4.302 ppm2 1.116
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
)
2.600 0.800 0.800 peak 1542 weight 0.10000E+01 volume 0.16750E+01 ppm1 4.260 ppm2 0.961
ASSI (
(( segid " " and resid 75 and name HA ))
)(
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
2.700 0.900 0.900 peak 1543 weight 0.10000E+01 volume 0.12870E+01 ppm1 4.293 ppm2 0.762
ASSI (
(( segid " " and resid 75 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))
OR
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)
2.500 0.800 0.800 peak 1544 weight 0.10000E+01 volume 0.17940E+01 ppm1 4.293 ppm2 0.556
ASSI (
(( segid " " and resid 6 and name HB3 ))
OR
(( segid " " and resid 6 and name HB2 ))
)(
(( segid " " and resid 6 and name HA ))
)
2.300 0.700 0.700 peak 1552 weight 0.10000E+01 volume 0.17320E+01 ppm1 4.018 ppm2 4.223
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 100 and name HD3 ))
OR
(( segid " " and resid 99 and name HB ))
)
2.300 0.700 0.700 peak 1557 weight 0.10000E+01 volume 0.16880E+01 ppm1 3.964 ppm2 1.627
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))
)
2.600 0.800 0.800 peak 1559 weight 0.10000E+01 volume 0.16070E+01 ppm1 3.965 ppm2 0.810
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 82 and name HB2 ))
OR
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)
2.600 0.800 0.800 peak 1566 weight 0.10000E+01 volume 0.71700E+00 ppm1 3.808 ppm2 1.988
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 82 and name HD2 ))
OR
(( segid " " and resid 81 and name HB2 ))
OR
(( segid " " and resid 51 and name HB ))
)
2.200 0.600 0.600 peak 1567 weight 0.10000E+01 volume 0.21390E+01 ppm1 3.810 ppm2 1.731
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
OR
(( segid " " and resid 82 and name HB3 ))
OR
(( segid " " and resid 51 and name HG13))
)
2.300 0.700 0.700 peak 1568 weight 0.10000E+01 volume 0.19000E+01 ppm1 3.812 ppm2 1.506
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
2.800 1.000 1.000 peak 1570 weight 0.10000E+01 volume 0.94100E+00 ppm1 3.808 ppm2 0.739
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
2.700 0.900 0.900 peak 1571 weight 0.10000E+01 volume 0.11650E+01 ppm1 3.813 ppm2 0.294
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
)
2.500 0.800 0.800 peak 1575 weight 0.10000E+01 volume 0.21240E+01 ppm1 3.753 ppm2 0.848
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 17 and name H ))
OR
(( segid " " and resid 16 and name H ))
)
2.800 1.000 1.000 peak 1576 weight 0.10000E+01 volume 0.55300E+00 ppm1 3.749 ppm2 8.839
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))
OR
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
2.300 0.700 0.700 peak 1583 weight 0.10000E+01 volume 0.28340E+01 ppm1 4.263 ppm2 0.929
ASSI (
(( segid " " and resid 55 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))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.900 1.100 1.100 peak 1584 weight 0.10000E+01 volume 0.84300E+00 ppm1 4.264 ppm2 0.547
ASSI (
(( segid " " and resid 24 and name HA ))
)(
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 12 and name HD3 ))
OR
(( segid " " and resid 12 and name HD2 ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)
3.500 1.500 1.500 peak 1589 weight 0.10000E+01 volume 0.14100E+00 ppm1 4.182 ppm2 1.738
ASSI (
(( segid " " and resid 24 and name HA ))
)(
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG11))
OR
(( segid " " and resid 26 and name HB2 ))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.400 1.400 1.400 peak 1591 weight 0.10000E+01 volume 0.28600E+00 ppm1 4.183 ppm2 0.521
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
)
2.900 1.100 1.100 peak 1595 weight 0.10000E+01 volume 0.41800E+00 ppm1 4.008 ppm2 2.977
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)
2.100 0.600 0.600 peak 1597 weight 0.10000E+01 volume 0.28800E+01 ppm1 4.014 ppm2 2.010
ASSI (
(( segid " " and resid 61 and name HA ))
)(
(( segid " " and resid 62 and name HG2 ))
OR
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)
2.800 1.000 1.000 peak 1604 weight 0.10000E+01 volume 0.48000E+00 ppm1 4.449 ppm2 1.996
ASSI (
(( segid " " and resid 93 and name HA ))
OR
(( segid " " and resid 14 and name HA ))
)(
(( segid " " and resid 94 and name HB3 ))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
2.500 0.800 0.800 peak 1612 weight 0.10000E+01 volume 0.17910E+01 ppm1 4.560 ppm2 0.893
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 94 and name H ))
OR
(( segid " " and resid 93 and name H ))
)
2.500 0.800 0.800 peak 1615 weight 0.10000E+01 volume 0.96400E+00 ppm1 4.559 ppm2 8.204
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
3.300 1.400 1.400 peak 1620 weight 0.10000E+01 volume 0.37600E+00 ppm1 4.559 ppm2 6.178
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
3.000 1.100 1.100 peak 1622 weight 0.10000E+01 volume 0.59400E+00 ppm1 4.570 ppm2 1.023
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.800 1.000 1.000 peak 1623 weight 0.10000E+01 volume 0.95100E+00 ppm1 4.566 ppm2 0.881
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 54 and name H ))
OR
(( segid " " and resid 53 and name H ))
)
3.100 1.200 1.200 peak 1625 weight 0.10000E+01 volume 0.29100E+00 ppm1 4.572 ppm2 8.469
ASSI (
(( segid " " and resid 59 and name HA ))
)(
(( segid " " and resid 59 and name HG23))
OR
(( segid " " and resid 59 and name HG22))
OR
(( segid " " and resid 59 and name HG21))
)
2.700 0.900 0.900 peak 1635 weight 0.10000E+01 volume 0.11350E+01 ppm1 4.453 ppm2 0.988
ASSI (
(( segid " " and resid 59 and name HA ))
)(
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)
2.800 1.000 1.000 peak 1636 weight 0.10000E+01 volume 0.51800E+00 ppm1 4.444 ppm2 1.997
ASSI (
(( segid " " and resid 41 and name HA ))
)(
(( segid " " and resid 44 and name HE3 ))
OR
(( segid " " and resid 44 and name HE2 ))
OR
(( segid " " and resid 41 and name HB2 ))
)
2.700 0.900 0.900 peak 1645 weight 0.10000E+01 volume 0.60000E+00 ppm1 4.505 ppm2 2.978
ASSI (
(( segid " " and resid 41 and name HA ))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 44 and name HD3 ))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.900 1.100 1.100 peak 1646 weight 0.10000E+01 volume 0.39900E+00 ppm1 4.490 ppm2 1.656
ASSI (
(( segid " " and resid 41 and name HA ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
3.000 1.100 1.100 peak 1648 weight 0.10000E+01 volume 0.65600E+00 ppm1 4.504 ppm2 7.265
ASSI (
(( segid " " and resid 58 and name HA ))
)(
(( segid " " and resid 74 and name HA ))
OR
(( segid " " and resid 57 and name HA ))
)
2.600 0.800 0.800 peak 1650 weight 0.10000E+01 volume 0.11230E+01 ppm1 4.377 ppm2 4.871
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name HG3 ))
OR
(( segid " " and resid 113 and name HG2 ))
)
2.400 0.700 0.700 peak 1661 weight 0.10000E+01 volume 0.13350E+01 ppm1 4.266 ppm2 1.327
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
)
3.200 1.300 1.300 peak 1663 weight 0.10000E+01 volume 0.40700E+00 ppm1 4.271 ppm2 0.811
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 18 and name H ))
)
3.900 1.900 1.900 peak 1666 weight 0.10000E+01 volume 0.73000E-01 ppm1 4.268 ppm2 8.730
ASSI (
(( segid " " and resid 104 and name HA ))
OR
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 103 and name H ))
)
3.300 1.400 1.400 peak 1672 weight 0.10000E+01 volume 0.20300E+00 ppm1 4.223 ppm2 7.782
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HB2 ))
)
3.200 1.300 1.300 peak 1674 weight 0.10000E+01 volume 0.23700E+00 ppm1 4.186 ppm2 1.747
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 104 and name HG3 ))
OR
(( segid " " and resid 104 and name HG2 ))
)
2.700 0.900 0.900 peak 1675 weight 0.10000E+01 volume 0.62500E+00 ppm1 4.187 ppm2 2.462
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
)
2.300 0.700 0.700 peak 1676 weight 0.10000E+01 volume 0.16630E+01 ppm1 4.222 ppm2 2.280
ASSI (
(( segid " " and resid 104 and name HA ))
OR
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 104 and name HB3 ))
OR
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
)
2.000 0.500 0.500 peak 1677 weight 0.10000E+01 volume 0.39970E+01 ppm1 4.219 ppm2 2.070
ASSI (
(( segid " " and resid 81 and name HA ))
)(
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.700 0.900 0.900 peak 1678 weight 0.10000E+01 volume 0.12610E+01 ppm1 4.410 ppm2 0.813
ASSI (
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 1 and name HA ))
)(
(( segid " " and resid 67 and name H ))
OR
(( segid " " and resid 3 and name H ))
)
2.700 0.900 0.900 peak 1690 weight 0.10000E+01 volume 0.63500E+00 ppm1 4.457 ppm2 8.342
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.400 0.700 0.700 peak 1695 weight 0.10000E+01 volume 0.13600E+01 ppm1 4.251 ppm2 1.644
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 47 and name HB2 ))
OR
(( segid " " and resid 46 and name HG13))
)
2.200 0.600 0.600 peak 1697 weight 0.10000E+01 volume 0.20800E+01 ppm1 4.247 ppm2 1.056
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.400 0.700 0.700 peak 1698 weight 0.10000E+01 volume 0.26880E+01 ppm1 4.248 ppm2 0.884
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
2.800 1.000 1.000 peak 1701 weight 0.10000E+01 volume 0.85000E+00 ppm1 4.249 ppm2 7.245
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 35 and name HG2 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
2.400 0.700 0.700 peak 1710 weight 0.10000E+01 volume 0.14580E+01 ppm1 4.549 ppm2 2.154
ASSI (
(( segid " " and resid 35 and name HA ))
OR
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 35 and name HB2 ))
OR
(( segid " " and resid 20 and name HB2 ))
)
2.000 0.500 0.500 peak 1711 weight 0.10000E+01 volume 0.33250E+01 ppm1 4.542 ppm2 1.889
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 20 and name HG3 ))
OR
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HB3 ))
)
2.300 0.700 0.700 peak 1712 weight 0.10000E+01 volume 0.16400E+01 ppm1 4.536 ppm2 1.681
ASSI (
(( segid " " and resid 53 and name HA ))
)(
(( segid " " and resid 53 and name HG3 ))
OR
(( segid " " and resid 53 and name HB2 ))
)
2.800 1.000 1.000 peak 1721 weight 0.10000E+01 volume 0.55900E+00 ppm1 4.556 ppm2 1.940
ASSI (
(( segid " " and resid 53 and name HA ))
)(
(( segid " " and resid 53 and name HG2 ))
OR
(( segid " " and resid 53 and name HB3 ))
)
2.600 0.800 0.800 peak 1722 weight 0.10000E+01 volume 0.79800E+00 ppm1 4.549 ppm2 2.191
ASSI (
(( segid " " and resid 53 and name HA ))
)(
(( segid " " and resid 54 and name H ))
OR
(( segid " " and resid 53 and name H ))
)
2.300 0.700 0.700 peak 1723 weight 0.10000E+01 volume 0.18850E+01 ppm1 4.542 ppm2 8.461
ASSI (
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
)(
(( segid " " and resid 100 and name HE3 ))
OR
(( segid " " and resid 100 and name HE2 ))
)
2.500 0.800 0.800 peak 1727 weight 0.10000E+01 volume 0.67600E+00 ppm1 1.438 ppm2 2.833
ASSI (
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
)(
(( segid " " and resid 100 and name HD3 ))
OR
(( segid " " and resid 100 and name HD2 ))
)
1.900 0.500 0.500 peak 1728 weight 0.10000E+01 volume 0.36650E+01 ppm1 1.437 ppm2 1.608
ASSI (
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
)(
(( segid " " and resid 101 and name HD2 ))
)
3.000 1.100 1.100 peak 1729 weight 0.10000E+01 volume 0.23500E+00 ppm1 1.438 ppm2 3.809
ASSI (
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
)(
(( segid " " and resid 100 and name HA ))
)
2.700 0.900 0.900 peak 1730 weight 0.10000E+01 volume 0.69400E+00 ppm1 1.438 ppm2 4.875
ASSI (
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
)(
(( segid " " and resid 103 and name HD22))
OR
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 100 and name H ))
)
2.500 0.800 0.800 peak 1731 weight 0.10000E+01 volume 0.63200E+00 ppm1 1.442 ppm2 7.755
ASSI (
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)(
(( segid " " and resid 57 and name H ))
)
2.600 0.800 0.800 peak 1732 weight 0.10000E+01 volume 0.49000E+00 ppm1 1.345 ppm2 9.034
ASSI (
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)(
(( segid " " and resid 57 and name HA ))
)
2.800 1.000 1.000 peak 1733 weight 0.10000E+01 volume 0.49400E+00 ppm1 1.343 ppm2 4.865
ASSI (
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)(
(( segid " " and resid 57 and name HE3 ))
OR
(( segid " " and resid 57 and name HE2 ))
)
2.500 0.800 0.800 peak 1734 weight 0.10000E+01 volume 0.63800E+00 ppm1 1.343 ppm2 2.873
ASSI (
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)(
(( segid " " and resid 57 and name HB2 ))
)
2.100 0.600 0.600 peak 1735 weight 0.10000E+01 volume 0.20870E+01 ppm1 1.344 ppm2 1.791
ASSI (
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)(
(( segid " " and resid 57 and name HD3 ))
OR
(( segid " " and resid 57 and name HD2 ))
)
1.900 0.500 0.500 peak 1736 weight 0.10000E+01 volume 0.34270E+01 ppm1 1.343 ppm2 1.631
ASSI (
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)(
(( 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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
2.500 0.800 0.800 peak 1738 weight 0.10000E+01 volume 0.13460E+01 ppm1 1.344 ppm2 0.962
ASSI (
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)
3.200 1.300 1.300 peak 1739 weight 0.10000E+01 volume 0.30000E+00 ppm1 1.336 ppm2 0.559
ASSI (
(( segid " " and resid 12 and name HG2 ))
)(
(( segid " " and resid 12 and name HD3 ))
OR
(( segid " " and resid 12 and name HD2 ))
)
2.000 0.500 0.500 peak 1740 weight 0.10000E+01 volume 0.22230E+01 ppm1 1.226 ppm2 1.670
ASSI (
(( segid " " and resid 12 and name HG2 ))
)(
(( segid " " and resid 12 and name HE3 ))
OR
(( segid " " and resid 12 and name HE2 ))
)
2.800 1.000 1.000 peak 1742 weight 0.10000E+01 volume 0.36000E+00 ppm1 1.218 ppm2 2.933
ASSI (
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
)(
(( segid " " and resid 83 and name H ))
)
3.000 1.100 1.100 peak 1747 weight 0.10000E+01 volume 0.22100E+00 ppm1 1.513 ppm2 8.711
ASSI (
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
)(
(( segid " " and resid 82 and name HA ))
)
2.500 0.800 0.800 peak 1748 weight 0.10000E+01 volume 0.98300E+00 ppm1 1.511 ppm2 4.709
ASSI (
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
)(
(( segid " " and resid 51 and name HA ))
)
2.500 0.800 0.800 peak 1749 weight 0.10000E+01 volume 0.94400E+00 ppm1 1.515 ppm2 3.804
ASSI (
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
)
2.400 0.700 0.700 peak 1750 weight 0.10000E+01 volume 0.94400E+00 ppm1 1.511 ppm2 2.953
ASSI (
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
)(
(( segid " " and resid 82 and name HB2 ))
)
2.000 0.500 0.500 peak 1751 weight 0.10000E+01 volume 0.26700E+01 ppm1 1.513 ppm2 1.958
ASSI (
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
2.900 1.100 1.100 peak 1753 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.512 ppm2 0.299
ASSI (
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
)(
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.600 0.800 0.800 peak 1754 weight 0.10000E+01 volume 0.10750E+01 ppm1 1.512 ppm2 0.768
ASSI (
(( segid " " and resid 44 and name HG3 ))
OR
(( segid " " and resid 20 and name HD3 ))
)(
(( segid " " and resid 46 and name H ))
OR
(( segid " " and resid 20 and name H ))
)
3.000 1.100 1.100 peak 1756 weight 0.10000E+01 volume 0.23300E+00 ppm1 1.453 ppm2 7.612
ASSI (
(( segid " " and resid 44 and name HG3 ))
OR
(( segid " " and resid 20 and name HD3 ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
OR
(( segid " " and resid 17 and name HD2 ))
)
3.400 1.400 1.400 peak 1757 weight 0.10000E+01 volume 0.20800E+00 ppm1 1.449 ppm2 7.251
ASSI (
(( segid " " and resid 27 and name HG3 ))
)(
(( segid " " and resid 27 and name HD3 ))
OR
(( segid " " and resid 27 and name HD2 ))
)
1.900 0.500 0.500 peak 1761 weight 0.10000E+01 volume 0.38110E+01 ppm1 1.571 ppm2 1.735
ASSI (
(( segid " " and resid 27 and name HG3 ))
)(
(( segid " " and resid 27 and name HE3 ))
OR
(( segid " " and resid 27 and name HE2 ))
)
3.100 1.200 1.200 peak 1762 weight 0.10000E+01 volume 0.19700E+00 ppm1 1.571 ppm2 3.006
ASSI (
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 106 and name H ))
OR
(( segid " " and resid 105 and name H ))
)
2.800 1.000 1.000 peak 1763 weight 0.10000E+01 volume 0.30800E+00 ppm1 1.713 ppm2 8.489
ASSI (
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 27 and name HD3 ))
OR
(( segid " " and resid 27 and name HD2 ))
)(
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 27 and name H ))
)
2.300 0.700 0.700 peak 1765 weight 0.10000E+01 volume 0.99500E+00 ppm1 1.729 ppm2 8.715
ASSI (
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 105 and name HE ))
)
2.900 1.100 1.100 peak 1766 weight 0.10000E+01 volume 0.24700E+00 ppm1 1.718 ppm2 7.195
ASSI (
(( segid " " and resid 44 and name HG2 ))
OR
(( segid " " and resid 20 and name HD2 ))
)(
(( segid " " and resid 46 and name H ))
OR
(( segid " " and resid 20 and name H ))
)
2.700 0.900 0.900 peak 1768 weight 0.10000E+01 volume 0.39200E+00 ppm1 1.292 ppm2 7.616
ASSI (
(( segid " " and resid 113 and name HG2 ))
OR
(( segid " " and resid 20 and name HD2 ))
)(
(( segid " " and resid 113 and name H ))
OR
(( segid " " and resid 19 and name H ))
)
2.700 0.900 0.900 peak 1771 weight 0.10000E+01 volume 0.39100E+00 ppm1 1.314 ppm2 8.351
ASSI (
(( segid " " and resid 113 and name HG2 ))
OR
(( segid " " and resid 44 and name HG2 ))
OR
(( segid " " and resid 20 and name HD2 ))
)(
(( segid " " and resid 43 and name H ))
OR
(( segid " " and resid 17 and name H ))
OR
(( segid " " and resid 16 and name H ))
)
2.700 0.900 0.900 peak 1772 weight 0.10000E+01 volume 0.41200E+00 ppm1 1.301 ppm2 8.842
ASSI (
(( segid " " and resid 88 and name HB3 ))
)(
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG12))
)
2.200 0.600 0.600 peak 1777 weight 0.10000E+01 volume 0.31300E+01 ppm1 0.997 ppm2 0.760
ASSI (
(( segid " " and resid 88 and name HB2 ))
)(
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
2.300 0.700 0.700 peak 1782 weight 0.10000E+01 volume 0.18960E+01 ppm1 1.989 ppm2 0.762
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 111 and name H ))
OR
(( segid " " and resid 110 and name H ))
)
2.600 0.800 0.800 peak 1786 weight 0.10000E+01 volume 0.54000E+00 ppm1 1.671 ppm2 9.099
ASSI (
(( segid " " and resid 110 and name HB3 ))
)(
(( segid " " and resid 111 and name H ))
OR
(( segid " " and resid 110 and name H ))
)
2.600 0.800 0.800 peak 1787 weight 0.10000E+01 volume 0.50300E+00 ppm1 1.192 ppm2 9.100
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)
2.700 0.900 0.900 peak 1794 weight 0.10000E+01 volume 0.82300E+00 ppm1 1.671 ppm2 0.880
ASSI (
(( segid " " and resid 110 and name HB3 ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 108 and name HD23))
)
2.500 0.800 0.800 peak 1796 weight 0.10000E+01 volume 0.11730E+01 ppm1 1.192 ppm2 0.881
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
)
2.800 1.000 1.000 peak 1800 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.757 ppm2 0.677
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)
2.600 0.800 0.800 peak 1801 weight 0.10000E+01 volume 0.11060E+01 ppm1 1.756 ppm2 0.561
ASSI (
(( segid " " and resid 90 and name HB3 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
)
2.500 0.800 0.800 peak 1802 weight 0.10000E+01 volume 0.14250E+01 ppm1 2.257 ppm2 0.559
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
OR
(( segid " " and resid 36 and name HA ))
)
3.600 1.600 1.600 peak 1807 weight 0.10000E+01 volume 0.11200E+00 ppm1 1.765 ppm2 5.176
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.600 0.800 0.800 peak 1821 weight 0.10000E+01 volume 0.47600E+00 ppm1 2.357 ppm2 1.654
ASSI (
(( segid " " and resid 38 and name HD2 ))
)(
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 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))
)
3.000 1.100 1.100 peak 1825 weight 0.10000E+01 volume 0.42400E+00 ppm1 2.415 ppm2 0.827
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 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))
)
3.100 1.200 1.200 peak 1826 weight 0.10000E+01 volume 0.36600E+00 ppm1 2.353 ppm2 0.809
ASSI (
(( segid " " and resid 38 and name HD2 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG11))
OR
(( segid " " and resid 54 and name HG23))
OR
(( segid " " and resid 54 and name HG22))
OR
(( segid " " and resid 54 and name HG21))
)
2.800 1.000 1.000 peak 1828 weight 0.10000E+01 volume 0.65100E+00 ppm1 2.414 ppm2 0.586
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.900 1.100 1.100 peak 1830 weight 0.10000E+01 volume 0.51800E+00 ppm1 2.359 ppm2 0.565
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
3.100 1.200 1.200 peak 1835 weight 0.10000E+01 volume 0.33400E+00 ppm1 2.341 ppm2 7.271
ASSI (
(( segid " " and resid 38 and name HD2 ))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 48 and name H ))
)
3.200 1.300 1.300 peak 1836 weight 0.10000E+01 volume 0.15100E+00 ppm1 2.426 ppm2 6.738
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 48 and name H ))
)
3.100 1.200 1.200 peak 1837 weight 0.10000E+01 volume 0.17400E+00 ppm1 2.362 ppm2 6.717
ASSI (
(( segid " " and resid 94 and name HD3 ))
)(
(( segid " " and resid 34 and name HE2 ))
OR
(( segid " " and resid 34 and name HE1 ))
)
3.000 1.100 1.100 peak 1850 weight 0.10000E+01 volume 0.43400E+00 ppm1 2.694 ppm2 6.621
ASSI (
(( segid " " and resid 94 and name HD2 ))
)(
(( segid " " and resid 34 and name HE2 ))
OR
(( segid " " and resid 34 and name HE1 ))
)
2.900 1.100 1.100 peak 1851 weight 0.10000E+01 volume 0.46000E+00 ppm1 2.572 ppm2 6.613
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)(
(( segid " " and resid 11 and name HA ))
)
2.800 1.000 1.000 peak 1853 weight 0.10000E+01 volume 0.55600E+00 ppm1 2.498 ppm2 4.926
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)(
(( segid " " and resid 109 and name HD2 ))
)
3.400 1.400 1.400 peak 1856 weight 0.10000E+01 volume 0.18100E+00 ppm1 2.494 ppm2 5.982
ASSI (
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)(
(( segid " " and resid 107 and name H ))
OR
(( segid " " and resid 11 and name H ))
)
2.600 0.800 0.800 peak 1858 weight 0.10000E+01 volume 0.56000E+00 ppm1 2.496 ppm2 7.947
ASSI (
(( segid " " and resid 11 and name HB3 ))
)(
(( segid " " and resid 107 and name H ))
OR
(( segid " " and resid 11 and name H ))
)
2.500 0.800 0.800 peak 1859 weight 0.10000E+01 volume 0.59400E+00 ppm1 2.438 ppm2 7.950
ASSI (
(( segid " " and resid 106 and name HB3 ))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
2.200 0.600 0.600 peak 1865 weight 0.10000E+01 volume 0.27320E+01 ppm1 2.538 ppm2 6.711
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)
3.600 1.600 1.600 peak 1866 weight 0.10000E+01 volume 0.13800E+00 ppm1 2.685 ppm2 6.525
ASSI (
(( segid " " and resid 106 and name HB3 ))
)(
(( segid " " and resid 106 and name HE2 ))
OR
(( segid " " and resid 106 and name HE1 ))
)
3.400 1.400 1.400 peak 1867 weight 0.10000E+01 volume 0.18100E+00 ppm1 2.543 ppm2 6.522
ASSI (
(( segid " " and resid 106 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)(
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 12 and name HA ))
)
3.100 1.200 1.200 peak 1868 weight 0.10000E+01 volume 0.28900E+00 ppm1 2.522 ppm2 4.709
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 92 and name HB2 ))
OR
(( segid " " and resid 90 and name HB3 ))
)
3.000 1.100 1.100 peak 1872 weight 0.10000E+01 volume 0.20100E+00 ppm1 2.696 ppm2 2.226
ASSI (
(( segid " " and resid 106 and name HB3 ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 90 and name HB2 ))
)
3.100 1.200 1.200 peak 1873 weight 0.10000E+01 volume 0.16700E+00 ppm1 2.562 ppm2 1.757
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)
3.400 1.400 1.400 peak 1874 weight 0.10000E+01 volume 0.11000E+00 ppm1 2.668 ppm2 1.734
ASSI (
(( segid " " and resid 106 and name HB3 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
3.300 1.400 1.400 peak 1875 weight 0.10000E+01 volume 0.26200E+00 ppm1 2.532 ppm2 0.563
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
)
3.800 1.800 1.800 peak 1876 weight 0.10000E+01 volume 0.10100E+00 ppm1 2.663 ppm2 0.587
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
3.400 1.400 1.400 peak 1878 weight 0.10000E+01 volume 0.20100E+00 ppm1 2.667 ppm2 -0.339
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
3.600 1.600 1.600 peak 1880 weight 0.10000E+01 volume 0.13800E+00 ppm1 2.669 ppm2 -1.033
ASSI (
(( segid " " and resid 106 and name HB3 ))
)(
(( segid " " and resid 26 and name HD13))
OR
(( segid " " and resid 26 and name HD12))
OR
(( segid " " and resid 26 and name HD11))
)
3.400 1.400 1.400 peak 1881 weight 0.10000E+01 volume 0.19500E+00 ppm1 2.547 ppm2 -1.028
ASSI (
(( segid " " and resid 44 and name HE3 ))
OR
(( segid " " and resid 44 and name HE2 ))
OR
(( segid " " and resid 27 and name HE3 ))
OR
(( segid " " and resid 27 and name HE2 ))
OR
(( segid " " and resid 20 and name HE3 ))
OR
(( segid " " and resid 20 and name HE2 ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
OR
(( segid " " and resid 17 and name HD2 ))
)
3.600 1.600 1.600 peak 1886 weight 0.10000E+01 volume 0.14400E+00 ppm1 3.009 ppm2 7.229
ASSI (
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
3.000 1.100 1.100 peak 1896 weight 0.10000E+01 volume 0.45400E+00 ppm1 3.227 ppm2 0.808
ASSI (
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)(
(( segid " " and resid 83 and name HB2 ))
)
2.200 0.600 0.600 peak 1897 weight 0.10000E+01 volume 0.16210E+01 ppm1 3.228 ppm2 1.846
ASSI (
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)(
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 83 and name HB3 ))
)
1.900 0.500 0.500 peak 1898 weight 0.10000E+01 volume 0.34260E+01 ppm1 3.227 ppm2 1.729
ASSI (
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)(
(( segid " " and resid 83 and name HG3 ))
)
2.200 0.600 0.600 peak 1899 weight 0.10000E+01 volume 0.14580E+01 ppm1 3.228 ppm2 1.505
ASSI (
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)(
(( segid " " and resid 83 and name HA ))
)
3.200 1.300 1.300 peak 1900 weight 0.10000E+01 volume 0.24500E+00 ppm1 3.229 ppm2 3.920
ASSI (
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)(
(( segid " " and resid 83 and name HE ))
)
2.700 0.900 0.900 peak 1902 weight 0.10000E+01 volume 0.46200E+00 ppm1 3.227 ppm2 7.349
ASSI (
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)(
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 18 and name H ))
)
2.800 1.000 1.000 peak 1903 weight 0.10000E+01 volume 0.30700E+00 ppm1 3.229 ppm2 8.727
ASSI (
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)(
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
2.600 0.800 0.800 peak 1905 weight 0.10000E+01 volume 0.10380E+01 ppm1 3.170 ppm2 0.899
ASSI (
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HB2 ))
)
1.900 0.500 0.500 peak 1906 weight 0.10000E+01 volume 0.31700E+01 ppm1 3.168 ppm2 1.755
ASSI (
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)(
(( segid " " and resid 105 and name HB3 ))
)
2.400 0.700 0.700 peak 1907 weight 0.10000E+01 volume 0.85100E+00 ppm1 3.173 ppm2 2.120
ASSI (
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)(
(( segid " " and resid 91 and name HG13))
OR
(( segid " " and resid 91 and name HG12))
OR
(( segid " " and resid 91 and name HG11))
)
3.200 1.300 1.300 peak 1908 weight 0.10000E+01 volume 0.29800E+00 ppm1 3.150 ppm2 0.728
ASSI (
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
)
3.100 1.200 1.200 peak 1910 weight 0.10000E+01 volume 0.29500E+00 ppm1 3.169 ppm2 5.187
ASSI (
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)(
(( segid " " and resid 105 and name HE ))
)
2.200 0.600 0.600 peak 1912 weight 0.10000E+01 volume 0.16120E+01 ppm1 3.169 ppm2 7.178
ASSI (
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)(
(( segid " " and resid 106 and name H ))
OR
(( segid " " and resid 105 and name H ))
)
2.900 1.100 1.100 peak 1914 weight 0.10000E+01 volume 0.27000E+00 ppm1 3.166 ppm2 8.470
ASSI (
(( segid " " and resid 81 and name HD2 ))
)(
(( segid " " and resid 53 and name HG2 ))
OR
(( segid " " and resid 53 and name HB3 ))
)
2.800 1.000 1.000 peak 1915 weight 0.10000E+01 volume 0.30400E+00 ppm1 3.014 ppm2 2.189
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 53 and name HG3 ))
)
2.400 0.700 0.700 peak 1917 weight 0.10000E+01 volume 0.79900E+00 ppm1 3.096 ppm2 1.992
ASSI (
(( segid " " and resid 81 and name HD2 ))
)(
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 53 and name HG3 ))
)
2.300 0.700 0.700 peak 1918 weight 0.10000E+01 volume 0.11550E+01 ppm1 3.016 ppm2 1.998
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)
2.100 0.600 0.600 peak 1921 weight 0.10000E+01 volume 0.17160E+01 ppm1 3.096 ppm2 1.565
ASSI (
(( segid " " and resid 74 and name HB3 ))
OR
(( segid " " and resid 58 and name HB3 ))
)(
(( segid " " and resid 58 and name HA ))
)
2.800 1.000 1.000 peak 1933 weight 0.10000E+01 volume 0.47700E+00 ppm1 2.443 ppm2 4.358
ASSI (
(( segid " " and resid 74 and name HB3 ))
OR
(( segid " " and resid 58 and name HB3 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)
3.000 1.100 1.100 peak 1940 weight 0.10000E+01 volume 0.45000E+00 ppm1 2.417 ppm2 0.556
ASSI (
(( segid " " and resid 74 and name HB2 ))
)(
(( segid " " and resid 26 and name HG ))
OR
(( segid " " and resid 26 and name HB2 ))
)
2.500 0.800 0.800 peak 1941 weight 0.10000E+01 volume 0.63900E+00 ppm1 2.766 ppm2 0.473
ASSI (
(( segid " " and resid 58 and name HB2 ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
2.900 1.100 1.100 peak 1943 weight 0.10000E+01 volume 0.54600E+00 ppm1 2.605 ppm2 6.167
ASSI (
(( segid " " and resid 58 and name HB3 ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
2.800 1.000 1.000 peak 1944 weight 0.10000E+01 volume 0.59100E+00 ppm1 2.446 ppm2 6.171
ASSI (
(( segid " " and resid 74 and name HB3 ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
)
2.600 0.800 0.800 peak 1946 weight 0.10000E+01 volume 0.86800E+00 ppm1 2.427 ppm2 7.184
ASSI (
(( segid " " and resid 10 and name HB3 ))
)(
(( segid " " and resid 106 and name HB2 ))
OR
(( segid " " and resid 9 and name HB3 ))
)
2.400 0.700 0.700 peak 1955 weight 0.10000E+01 volume 0.75300E+00 ppm1 2.846 ppm2 2.688
ASSI (
(( segid " " and resid 10 and name HB3 ))
)(
(( segid " " and resid 107 and name H ))
OR
(( segid " " and resid 11 and name H ))
)
3.300 1.400 1.400 peak 1958 weight 0.10000E+01 volume 0.13300E+00 ppm1 2.860 ppm2 7.952
ASSI (
(( segid " " and resid 10 and name HB2 ))
)(
(( segid " " and resid 107 and name H ))
OR
(( segid " " and resid 11 and name H ))
)
3.200 1.300 1.300 peak 1959 weight 0.10000E+01 volume 0.15300E+00 ppm1 3.005 ppm2 7.980
ASSI (
(( segid " " and resid 10 and name HB2 ))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
)
3.300 1.400 1.400 peak 1964 weight 0.10000E+01 volume 0.24200E+00 ppm1 3.005 ppm2 6.709
ASSI (
(( segid " " and resid 41 and name HB3 ))
)(
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.500 0.800 0.800 peak 1970 weight 0.10000E+01 volume 0.13690E+01 ppm1 3.471 ppm2 0.878
ASSI (
(( segid " " and resid 41 and name HB2 ))
)(
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.600 0.800 0.800 peak 1972 weight 0.10000E+01 volume 0.11110E+01 ppm1 2.972 ppm2 0.878
ASSI (
(( segid " " and resid 41 and name HB3 ))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 44 and name HD3 ))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.600 0.800 0.800 peak 1978 weight 0.10000E+01 volume 0.57800E+00 ppm1 3.474 ppm2 1.637
ASSI (
(( segid " " and resid 41 and name HB3 ))
)(
(( segid " " and resid 46 and name HB ))
OR
(( segid " " and resid 44 and name HB2 ))
)
3.100 1.200 1.200 peak 1979 weight 0.10000E+01 volume 0.19800E+00 ppm1 3.472 ppm2 2.178
ASSI (
(( segid " " and resid 41 and name HB2 ))
OR
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 47 and name HA ))
OR
(( segid " " and resid 28 and name HA3 ))
)
2.800 1.000 1.000 peak 1983 weight 0.10000E+01 volume 0.47000E+00 ppm1 2.968 ppm2 4.253
ASSI (
(( segid " " and resid 41 and name HB3 ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
2.300 0.700 0.700 peak 1989 weight 0.10000E+01 volume 0.20470E+01 ppm1 3.472 ppm2 7.254
ASSI (
(( segid " " and resid 41 and name HB2 ))
OR
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 42 and name H ))
OR
(( segid " " and resid 29 and name HD21))
)
2.500 0.800 0.800 peak 1994 weight 0.10000E+01 volume 0.86100E+00 ppm1 2.985 ppm2 7.810
ASSI (
(( segid " " and resid 103 and name HB3 ))
OR
(( segid " " and resid 29 and name HB2 ))
)(
(( segid " " and resid 103 and name HD22))
OR
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 29 and name HD21))
)
2.300 0.700 0.700 peak 1995 weight 0.10000E+01 volume 0.15470E+01 ppm1 3.075 ppm2 7.783
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 103 and name HD22))
OR
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 100 and name H ))
)
2.400 0.700 0.700 peak 2000 weight 0.10000E+01 volume 0.95700E+00 ppm1 2.583 ppm2 7.779
ASSI (
(( segid " " and resid 79 and name HE3 ))
OR
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
)
2.300 0.700 0.700 peak 2005 weight 0.10000E+01 volume 0.12310E+01 ppm1 2.788 ppm2 1.012
ASSI (
(( segid " " and resid 79 and name HE3 ))
OR
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 79 and name HB2 ))
)
2.500 0.800 0.800 peak 2006 weight 0.10000E+01 volume 0.60200E+00 ppm1 2.788 ppm2 1.648
ASSI (
(( segid " " and resid 79 and name HE3 ))
OR
(( segid " " and resid 79 and name HE2 ))
)(
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
)
1.900 0.500 0.500 peak 2007 weight 0.10000E+01 volume 0.30880E+01 ppm1 2.788 ppm2 1.508
ASSI (
(( segid " " and resid 15 and name HB3 ))
OR
(( segid " " and resid 15 and name HB2 ))
)(
(( segid " " and resid 15 and name H ))
)
2.100 0.600 0.600 peak 2017 weight 0.10000E+01 volume 0.20460E+01 ppm1 2.664 ppm2 8.751
ASSI (
(( segid " " and resid 113 and name HE3 ))
OR
(( segid " " and resid 113 and name HE2 ))
)(
(( segid " " and resid 111 and name HD22))
)
3.200 1.300 1.300 peak 2026 weight 0.10000E+01 volume 0.21000E+00 ppm1 2.912 ppm2 6.687
ASSI (
(( segid " " and resid 113 and name HE3 ))
OR
(( segid " " and resid 113 and name HE2 ))
)(
(( segid " " and resid 111 and name HD21))
)
3.400 1.400 1.400 peak 2027 weight 0.10000E+01 volume 0.13600E+00 ppm1 2.922 ppm2 7.680
ASSI (
(( segid " " and resid 100 and name HE3 ))
OR
(( segid " " and resid 100 and name HE2 ))
)(
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 100 and name HB2 ))
)
2.400 0.700 0.700 peak 2028 weight 0.10000E+01 volume 0.78000E+00 ppm1 2.840 ppm2 2.071
ASSI (
(( segid " " and resid 47 and name HB2 ))
)(
(( segid " " and resid 56 and name HB2 ))
OR
(( segid " " and resid 38 and name HD3 ))
)
3.200 1.300 1.300 peak 2033 weight 0.10000E+01 volume 0.15800E+00 ppm1 1.078 ppm2 2.372
ASSI (
(( segid " " and resid 47 and name HB2 ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
)
3.500 1.500 1.500 peak 2035 weight 0.10000E+01 volume 0.16000E+00 ppm1 1.080 ppm2 0.684
ASSI (
(( segid " " and resid 47 and name HB2 ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.500 0.800 0.800 peak 2036 weight 0.10000E+01 volume 0.11880E+01 ppm1 1.077 ppm2 0.877
ASSI (
(( segid " " and resid 47 and name HB2 ))
)(
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
3.100 1.200 1.200 peak 2037 weight 0.10000E+01 volume 0.33500E+00 ppm1 1.077 ppm2 0.541
ASSI (
(( segid " " and resid 73 and name HB ))
)(
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)
2.400 0.700 0.700 peak 2038 weight 0.10000E+01 volume 0.17390E+01 ppm1 1.575 ppm2 0.660
ASSI (
(( segid " " and resid 73 and name HB ))
)(
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)
2.700 0.900 0.900 peak 2039 weight 0.10000E+01 volume 0.78700E+00 ppm1 1.576 ppm2 0.495
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
3.300 1.400 1.400 peak 2046 weight 0.10000E+01 volume 0.22600E+00 ppm1 1.373 ppm2 0.762
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
2.200 0.600 0.600 peak 2047 weight 0.10000E+01 volume 0.26270E+01 ppm1 1.364 ppm2 0.537
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 25 and name H ))
OR
(( segid " " and resid 23 and name H ))
)
3.000 1.100 1.100 peak 2054 weight 0.10000E+01 volume 0.21300E+00 ppm1 1.358 ppm2 8.743
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)
2.400 0.700 0.700 peak 2056 weight 0.10000E+01 volume 0.77800E+00 ppm1 1.714 ppm2 1.001
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
)
2.500 0.800 0.800 peak 2057 weight 0.10000E+01 volume 0.14320E+01 ppm1 1.716 ppm2 0.776
ASSI (
(( segid " " and resid 77 and name HB3 ))
)(
(( segid " " and resid 79 and name HG2 ))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
2.700 0.900 0.900 peak 2058 weight 0.10000E+01 volume 0.82600E+00 ppm1 1.199 ppm2 1.026
ASSI (
(( segid " " and resid 77 and name HB3 ))
)(
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.300 0.700 0.700 peak 2059 weight 0.10000E+01 volume 0.20110E+01 ppm1 1.196 ppm2 0.761
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 77 and name HG ))
)
2.400 0.700 0.700 peak 2063 weight 0.10000E+01 volume 0.78800E+00 ppm1 1.711 ppm2 1.520
ASSI (
(( segid " " and resid 79 and name HB3 ))
)(
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)
2.400 0.700 0.700 peak 2077 weight 0.10000E+01 volume 0.93500E+00 ppm1 1.550 ppm2 1.002
ASSI (
(( segid " " and resid 79 and name HB3 ))
)(
(( segid " " and resid 80 and name HB2 ))
OR
(( segid " " and resid 53 and name HG3 ))
)
3.000 1.100 1.100 peak 2079 weight 0.10000E+01 volume 0.21600E+00 ppm1 1.551 ppm2 1.967
ASSI (
(( segid " " and resid 79 and name HB3 ))
)(
(( segid " " and resid 79 and name HE3 ))
OR
(( segid " " and resid 79 and name HE2 ))
)
3.000 1.100 1.100 peak 2085 weight 0.10000E+01 volume 0.22200E+00 ppm1 1.551 ppm2 2.788
ASSI (
(( segid " " and resid 79 and name HB3 ))
)(
(( segid " " and resid 54 and name H ))
OR
(( segid " " and resid 53 and name H ))
)
3.200 1.300 1.300 peak 2091 weight 0.10000E+01 volume 0.16400E+00 ppm1 1.543 ppm2 8.421
ASSI (
(( segid " " and resid 57 and name HB3 ))
)(
(( segid " " and resid 57 and name HG3 ))
OR
(( segid " " and resid 57 and name HG2 ))
)
2.300 0.700 0.700 peak 2093 weight 0.10000E+01 volume 0.10690E+01 ppm1 1.698 ppm2 1.341
ASSI (
(( segid " " and resid 57 and name HB3 ))
)(
(( segid " " and resid 74 and name HA ))
OR
(( segid " " and resid 57 and name HA ))
)
2.600 0.800 0.800 peak 2095 weight 0.10000E+01 volume 0.86300E+00 ppm1 1.698 ppm2 4.875
ASSI (
(( segid " " and resid 23 and name HG2 ))
)(
(( segid " " and resid 25 and name H ))
OR
(( segid " " and resid 23 and name H ))
)
2.600 0.800 0.800 peak 2097 weight 0.10000E+01 volume 0.55300E+00 ppm1 1.801 ppm2 8.754
ASSI (
(( segid " " and resid 57 and name HB2 ))
)(
(( segid " " and resid 58 and name H ))
OR
(( segid " " and resid 57 and name H ))
)
2.500 0.800 0.800 peak 2098 weight 0.10000E+01 volume 0.73900E+00 ppm1 1.789 ppm2 9.048
ASSI (
(( segid " " and resid 89 and name HG2 ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)
2.900 1.100 1.100 peak 2102 weight 0.10000E+01 volume 0.54100E+00 ppm1 2.009 ppm2 0.681
ASSI (
(( segid " " and resid 23 and name HG3 ))
)(
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.400 0.700 0.700 peak 2103 weight 0.10000E+01 volume 0.17300E+01 ppm1 2.058 ppm2 0.741
ASSI (
(( segid " " and resid 91 and name HB ))
)(
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
)
2.100 0.600 0.600 peak 2105 weight 0.10000E+01 volume 0.34770E+01 ppm1 1.795 ppm2 0.897
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)
2.500 0.800 0.800 peak 2108 weight 0.10000E+01 volume 0.68500E+00 ppm1 1.766 ppm2 3.169
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)(
(( segid " " and resid 12 and name H ))
)
2.100 0.600 0.600 peak 2109 weight 0.10000E+01 volume 0.17270E+01 ppm1 1.760 ppm2 8.138
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))
OR
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
2.100 0.600 0.600 peak 2111 weight 0.10000E+01 volume 0.33730E+01 ppm1 1.916 ppm2 0.936
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
2.900 1.100 1.100 peak 2112 weight 0.10000E+01 volume 0.56500E+00 ppm1 1.917 ppm2 0.773
ASSI (
(( segid " " and resid 55 and name HB ))
OR
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 95 and name HG2 ))
OR
(( segid " " and resid 77 and name HB2 ))
)
2.100 0.600 0.600 peak 2114 weight 0.10000E+01 volume 0.19580E+01 ppm1 1.918 ppm2 1.716
ASSI (
(( segid " " and resid 55 and name HB ))
OR
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 56 and name H ))
OR
(( segid " " and resid 37 and name H ))
)
2.900 1.100 1.100 peak 2121 weight 0.10000E+01 volume 0.28600E+00 ppm1 1.910 ppm2 9.128
ASSI (
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 35 and name HG2 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
1.900 0.500 0.500 peak 2129 weight 0.10000E+01 volume 0.36220E+01 ppm1 1.889 ppm2 2.163
ASSI (
(( segid " " and resid 89 and name HG3 ))
)(
(( segid " " and resid 108 and name H ))
OR
(( segid " " and resid 89 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
2.600 0.800 0.800 peak 2134 weight 0.10000E+01 volume 0.54000E+00 ppm1 2.144 ppm2 8.689
ASSI (
(( segid " " and resid 89 and name HG3 ))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
)
3.100 1.200 1.200 peak 2136 weight 0.10000E+01 volume 0.18800E+00 ppm1 2.147 ppm2 9.194
ASSI (
(( segid " " and resid 89 and name HG2 ))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
)
3.000 1.100 1.100 peak 2137 weight 0.10000E+01 volume 0.20100E+00 ppm1 2.010 ppm2 9.192
ASSI (
(( segid " " and resid 89 and name HG3 ))
)(
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
3.000 1.100 1.100 peak 2139 weight 0.10000E+01 volume 0.41400E+00 ppm1 2.144 ppm2 0.902
ASSI (
(( segid " " and resid 89 and name HG3 ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)
2.700 0.900 0.900 peak 2140 weight 0.10000E+01 volume 0.72200E+00 ppm1 2.149 ppm2 0.688
ASSI (
(( segid " " and resid 89 and name HG2 ))
)(
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)
3.000 1.100 1.100 peak 2141 weight 0.10000E+01 volume 0.46800E+00 ppm1 2.009 ppm2 0.482
ASSI (
(( segid " " and resid 89 and name HG3 ))
)(
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)
3.000 1.100 1.100 peak 2142 weight 0.10000E+01 volume 0.43100E+00 ppm1 2.149 ppm2 0.471
ASSI (
(( segid " " and resid 53 and name HG3 ))
)(
(( segid " " and resid 54 and name H ))
OR
(( segid " " and resid 53 and name H ))
)
2.700 0.900 0.900 peak 2144 weight 0.10000E+01 volume 0.44500E+00 ppm1 1.969 ppm2 8.441
ASSI (
(( segid " " and resid 53 and name HG3 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
OR
(( segid " " and resid 79 and name HB2 ))
)
2.800 1.000 1.000 peak 2145 weight 0.10000E+01 volume 0.32700E+00 ppm1 1.969 ppm2 1.604
ASSI (
(( segid " " and resid 53 and name HG3 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
OR
(( segid " " and resid 79 and name HB3 ))
)
2.800 1.000 1.000 peak 2146 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.971 ppm2 1.563
ASSI (
(( segid " " and resid 14 and name HB ))
)(
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
2.100 0.600 0.600 peak 2149 weight 0.10000E+01 volume 0.33040E+01 ppm1 2.023 ppm2 0.892
ASSI (
(( segid " " and resid 14 and name HB ))
)(
(( segid " " and resid 15 and name H ))
OR
(( segid " " and resid 14 and name H ))
)
2.300 0.700 0.700 peak 2150 weight 0.10000E+01 volume 0.99100E+00 ppm1 2.024 ppm2 8.793
ASSI (
(( segid " " and resid 105 and name HB3 ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HB2 ))
)
1.800 0.400 0.400 peak 2151 weight 0.10000E+01 volume 0.47950E+01 ppm1 2.114 ppm2 1.758
ASSI (
(( segid " " and resid 105 and name HB3 ))
)(
(( segid " " and resid 106 and name H ))
OR
(( segid " " and resid 105 and name H ))
)
2.600 0.800 0.800 peak 2154 weight 0.10000E+01 volume 0.53000E+00 ppm1 2.114 ppm2 8.487
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 106 and name H ))
OR
(( segid " " and resid 105 and name H ))
)
2.400 0.700 0.700 peak 2155 weight 0.10000E+01 volume 0.77900E+00 ppm1 1.767 ppm2 8.492
ASSI (
(( segid " " and resid 15 and name HB3 ))
OR
(( segid " " and resid 15 and name HB2 ))
)(
(( segid " " and resid 16 and name H ))
)
1.800 0.400 0.400 peak 2158 weight 0.10000E+01 volume 0.54720E+01 ppm1 2.653 ppm2 8.874
ASSI (
(( segid " " and resid 36 and name HE3 ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 34 and name HB3 ))
)
3.600 1.600 1.600 peak 2160 weight 0.10000E+01 volume 0.26300E+00 ppm1 7.187 ppm2 0.566
ASSI (
(( segid " " and resid 30 and name HD2 ))
)(
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)
3.200 1.300 1.300 peak 2163 weight 0.10000E+01 volume 0.26700E+00 ppm1 3.156 ppm2 6.495
ASSI (
(( segid " " and resid 30 and name HD3 ))
)(
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)
3.300 1.400 1.400 peak 2164 weight 0.10000E+01 volume 0.24600E+00 ppm1 3.590 ppm2 6.473
ASSI (
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 60 and name HD2 ))
)(
(( segid " " and resid 61 and name HA ))
OR
(( segid " " and resid 59 and name HA ))
)
2.000 0.500 0.500 peak 2171 weight 0.10000E+01 volume 0.34580E+01 ppm1 3.651 ppm2 4.448
ASSI (
(( segid " " and resid 60 and name HD3 ))
)(
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)
2.100 0.600 0.600 peak 2173 weight 0.10000E+01 volume 0.16370E+01 ppm1 3.411 ppm2 1.994
ASSI (
(( segid " " and resid 60 and name HD3 ))
)(
(( segid " " and resid 59 and name HG23))
OR
(( segid " " and resid 59 and name HG22))
OR
(( segid " " and resid 59 and name HG21))
)
3.000 1.100 1.100 peak 2174 weight 0.10000E+01 volume 0.38900E+00 ppm1 3.420 ppm2 0.994
ASSI (
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 60 and name HD2 ))
)(
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
OR
(( segid " " and resid 59 and name HG23))
OR
(( segid " " and resid 59 and name HG22))
OR
(( segid " " and resid 59 and name HG21))
)
2.800 1.000 1.000 peak 2175 weight 0.10000E+01 volume 0.60300E+00 ppm1 3.653 ppm2 0.979
ASSI (
(( segid " " and resid 66 and name HD3 ))
OR
(( segid " " and resid 62 and name HD3 ))
)(
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 62 and name HD2 ))
)
1.800 0.400 0.400 peak 2176 weight 0.10000E+01 volume 0.43650E+01 ppm1 3.826 ppm2 3.646
ASSI (
(( segid " " and resid 66 and name HD3 ))
OR
(( segid " " and resid 62 and name HD3 ))
)(
(( segid " " and resid 65 and name HG23))
OR
(( segid " " and resid 65 and name HG22))
OR
(( segid " " and resid 65 and name HG21))
OR
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
3.000 1.100 1.100 peak 2178 weight 0.10000E+01 volume 0.42400E+00 ppm1 3.823 ppm2 1.178
ASSI (
(( segid " " and resid 95 and name HD2 ))
OR
(( segid " " and resid 66 and name HD3 ))
)(
(( segid " " and resid 94 and name HB2 ))
OR
(( segid " " and resid 65 and name HG23))
OR
(( segid " " and resid 65 and name HG22))
OR
(( segid " " and resid 65 and name HG21))
)
3.200 1.300 1.300 peak 2179 weight 0.10000E+01 volume 0.24900E+00 ppm1 3.781 ppm2 1.175
ASSI (
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 62 and name HD2 ))
)(
(( segid " " and resid 65 and name HG23))
OR
(( segid " " and resid 65 and name HG22))
OR
(( segid " " and resid 65 and name HG21))
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 0.900 0.900 peak 2180 weight 0.10000E+01 volume 0.72200E+00 ppm1 3.649 ppm2 1.174
ASSI (
(( segid " " and resid 62 and name HD3 ))
)(
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 61 and name HA ))
)
2.200 0.600 0.600 peak 2181 weight 0.10000E+01 volume 0.21050E+01 ppm1 3.825 ppm2 4.447
ASSI (
(( segid " " and resid 95 and name HD2 ))
OR
(( segid " " and resid 66 and name HD3 ))
)(
(( segid " " and resid 94 and name HA ))
OR
(( segid " " and resid 65 and name HA ))
)
2.400 0.700 0.700 peak 2182 weight 0.10000E+01 volume 0.12960E+01 ppm1 3.777 ppm2 4.716
ASSI (
(( segid " " and resid 101 and name HD2 ))
OR
(( segid " " and resid 4 and name HD3 ))
)(
(( segid " " and resid 100 and name HB3 ))
OR
(( segid " " and resid 2 and name HG13))
)
2.600 0.800 0.800 peak 2186 weight 0.10000E+01 volume 0.57800E+00 ppm1 3.804 ppm2 1.486
ASSI (
(( segid " " and resid 101 and name HD3 ))
)(
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
OR
(( segid " " and resid 100 and name HB3 ))
)
2.900 1.100 1.100 peak 2187 weight 0.10000E+01 volume 0.27000E+00 ppm1 3.871 ppm2 1.464
ASSI (
(( segid " " and resid 80 and name HD3 ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
)
3.000 1.100 1.100 peak 2195 weight 0.10000E+01 volume 0.41900E+00 ppm1 3.863 ppm2 0.762
ASSI (
(( segid " " and resid 80 and name HD2 ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
3.300 1.400 1.400 peak 2196 weight 0.10000E+01 volume 0.23200E+00 ppm1 4.472 ppm2 0.776
ASSI (
(( segid " " and resid 95 and name HD3 ))
)(
(( segid " " and resid 95 and name HG3 ))
OR
(( segid " " and resid 95 and name HB3 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
2.300 0.700 0.700 peak 2201 weight 0.10000E+01 volume 0.10970E+01 ppm1 4.065 ppm2 2.132
ASSI (
(( segid " " and resid 95 and name HD3 ))
)(
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
3.200 1.300 1.300 peak 2203 weight 0.10000E+01 volume 0.29400E+00 ppm1 4.047 ppm2 0.881
ASSI (
(( segid " " and resid 95 and name HD3 ))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
OR
(( segid " " and resid 34 and name HB3 ))
)
3.000 1.100 1.100 peak 2204 weight 0.10000E+01 volume 0.31700E+00 ppm1 4.062 ppm2 0.637
ASSI (
(( segid " " and resid 95 and name HD2 ))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)
3.600 1.600 1.600 peak 2205 weight 0.10000E+01 volume 0.13300E+00 ppm1 3.774 ppm2 0.642
ASSI (
(( segid " " and resid 95 and name HD2 ))
)(
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
3.400 1.400 1.400 peak 2206 weight 0.10000E+01 volume 0.21900E+00 ppm1 3.759 ppm2 0.870
ASSI (
(( segid " " and resid 101 and name HD2 ))
OR
(( segid " " and resid 95 and name HD2 ))
)(
(( segid " " and resid 100 and name HB2 ))
OR
(( segid " " and resid 95 and name HG3 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
2.000 0.500 0.500 peak 2208 weight 0.10000E+01 volume 0.23130E+01 ppm1 3.760 ppm2 2.124
ASSI (
(( segid " " and resid 26 and name HA ))
)(
(( segid " " and resid 26 and name HB3 ))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
2.300 0.700 0.700 peak 2211 weight 0.10000E+01 volume 0.18720E+01 ppm1 4.476 ppm2 0.341
ASSI (
(( segid " " and resid 26 and name HA ))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
2.400 0.700 0.700 peak 2212 weight 0.10000E+01 volume 0.22610E+01 ppm1 4.477 ppm2 -0.344
ASSI (
(( segid " " and resid 88 and name HA ))
OR
(( segid " " and resid 26 and name HA ))
)(
(( segid " " and resid 89 and name H ))
OR
(( segid " " and resid 27 and name H ))
)
2.100 0.600 0.600 peak 2213 weight 0.10000E+01 volume 0.26530E+01 ppm1 4.477 ppm2 8.715
ASSI (
(( segid " " and resid 88 and name HA ))
)(
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
)
2.700 0.900 0.900 peak 2215 weight 0.10000E+01 volume 0.61600E+00 ppm1 4.435 ppm2 9.225
ASSI (
(( segid " " and resid 88 and name HA ))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 88 and name HB2 ))
)
2.600 0.800 0.800 peak 2216 weight 0.10000E+01 volume 0.78300E+00 ppm1 4.447 ppm2 2.000
ASSI (
(( segid " " and resid 88 and name HA ))
)(
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
)
2.400 0.700 0.700 peak 2218 weight 0.10000E+01 volume 0.24780E+01 ppm1 4.436 ppm2 0.779
ASSI (
(( segid " " and resid 37 and name HB ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
2.500 0.800 0.800 peak 2221 weight 0.10000E+01 volume 0.12140E+01 ppm1 4.078 ppm2 6.172
ASSI (
(( segid " " and resid 37 and name HB ))
)(
(( segid " " and resid 35 and name HG2 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
2.500 0.800 0.800 peak 2223 weight 0.10000E+01 volume 0.60500E+00 ppm1 4.072 ppm2 2.144
ASSI (
(( segid " " and resid 37 and name HB ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.900 1.100 1.100 peak 2225 weight 0.10000E+01 volume 0.49400E+00 ppm1 4.074 ppm2 0.872
ASSI (
(( segid " " and resid 31 and name HB ))
)(
(( segid " " and resid 32 and name H ))
OR
(( segid " " and resid 29 and name HD21))
)
3.300 1.400 1.400 peak 2227 weight 0.10000E+01 volume 0.12200E+00 ppm1 4.271 ppm2 7.785
ASSI (
(( segid " " and resid 31 and name HB ))
)(
(( segid " " and resid 31 and name HG23))
OR
(( segid " " and resid 31 and name HG22))
OR
(( segid " " and resid 31 and name HG21))
)
2.400 0.700 0.700 peak 2229 weight 0.10000E+01 volume 0.16220E+01 ppm1 4.273 ppm2 1.320
ASSI (
(( segid " " and resid 65 and name HB ))
)(
(( segid " " and resid 65 and name HG23))
OR
(( segid " " and resid 65 and name HG22))
OR
(( segid " " and resid 65 and name HG21))
)
2.400 0.700 0.700 peak 2233 weight 0.10000E+01 volume 0.15790E+01 ppm1 4.216 ppm2 1.179
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))
)
2.500 0.800 0.800 peak 2235 weight 0.10000E+01 volume 0.13890E+01 ppm1 3.907 ppm2 1.095
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
2.800 1.000 1.000 peak 2236 weight 0.10000E+01 volume 0.70700E+00 ppm1 3.910 ppm2 0.896
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
)
3.200 1.300 1.300 peak 2237 weight 0.10000E+01 volume 0.27000E+00 ppm1 3.902 ppm2 0.738
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 17 and name H ))
OR
(( segid " " and resid 16 and name H ))
)
2.900 1.100 1.100 peak 2239 weight 0.10000E+01 volume 0.25300E+00 ppm1 3.912 ppm2 8.858
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))
)
2.200 0.600 0.600 peak 2240 weight 0.10000E+01 volume 0.24680E+01 ppm1 4.005 ppm2 1.177
ASSI (
(( segid " " and resid 87 and name HB ))
)(
(( segid " " and resid 88 and name H ))
OR
(( segid " " and resid 87 and name H ))
)
2.300 0.700 0.700 peak 2246 weight 0.10000E+01 volume 0.10640E+01 ppm1 3.866 ppm2 9.203
ASSI (
(( segid " " and resid 87 and name HB ))
)(
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)
2.300 0.700 0.700 peak 2248 weight 0.10000E+01 volume 0.22080E+01 ppm1 3.870 ppm2 0.680
ASSI (
(( segid " " and resid 87 and name HB ))
)(
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)
3.200 1.300 1.300 peak 2249 weight 0.10000E+01 volume 0.26500E+00 ppm1 3.871 ppm2 0.465
ASSI (
(( segid " " and resid 107 and name HB ))
)(
(( segid " " and resid 107 and name HG23))
OR
(( segid " " and resid 107 and name HG22))
OR
(( segid " " and resid 107 and name HG21))
)
2.300 0.700 0.700 peak 2253 weight 0.10000E+01 volume 0.19960E+01 ppm1 3.719 ppm2 0.469
ASSI (
(( segid " " and resid 22 and name HB ))
)(
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 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))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
2.300 0.700 0.700 peak 2264 weight 0.10000E+01 volume 0.23300E+01 ppm1 3.690 ppm2 0.785
ASSI (
(( segid " " and resid 22 and name HB ))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 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))
)
2.500 0.800 0.800 peak 2265 weight 0.10000E+01 volume 0.13210E+01 ppm1 3.692 ppm2 0.833
ASSI (
(( segid " " and resid 59 and name HB ))
)(
(( segid " " and resid 59 and name HG23))
OR
(( segid " " and resid 59 and name HG22))
OR
(( segid " " and resid 59 and name HG21))
)
2.200 0.600 0.600 peak 2266 weight 0.10000E+01 volume 0.24410E+01 ppm1 3.746 ppm2 0.985
ASSI (
(( segid " " and resid 59 and name HB ))
)(
(( segid " " and resid 73 and name HG13))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
2.900 1.100 1.100 peak 2267 weight 0.10000E+01 volume 0.26800E+00 ppm1 3.744 ppm2 1.182
ASSI (
(( segid " " and resid 59 and name HB ))
)(
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
OR
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
)
2.900 1.100 1.100 peak 2268 weight 0.10000E+01 volume 0.47900E+00 ppm1 3.745 ppm2 0.542
ASSI (
(( segid " " and resid 98 and name HA3 ))
)(
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
3.500 1.500 1.500 peak 2284 weight 0.10000E+01 volume 0.25500E+00 ppm1 3.502 ppm2 0.864
ASSI (
(( segid " " and resid 98 and name HA2 ))
)(
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
4.400 2.400 1.600 peak 2287 weight 0.10000E+01 volume 0.62000E-01 ppm1 4.176 ppm2 0.864
ASSI (
(( segid " " and resid 40 and name HA3 ))
OR
(( segid " " and resid 33 and name HA2 ))
)(
(( segid " " and resid 41 and name HD1 ))
OR
(( segid " " and resid 34 and name H ))
)
3.000 1.100 1.100 peak 2294 weight 0.10000E+01 volume 0.36400E+00 ppm1 3.627 ppm2 7.272
ASSI (
(( segid " " and resid 69 and name HA3 ))
OR
(( segid " " and resid 69 and name HA2 ))
)(
(( segid " " and resid 69 and name H ))
)
2.000 0.500 0.500 peak 2307 weight 0.10000E+01 volume 0.39200E+01 ppm1 3.992 ppm2 8.518
ASSI (
(( segid " " and resid 69 and name HA3 ))
OR
(( segid " " and resid 69 and name HA2 ))
)(
(( segid " " and resid 70 and name H ))
)
2.100 0.600 0.600 peak 2312 weight 0.10000E+01 volume 0.33210E+01 ppm1 3.993 ppm2 8.032
ASSI (
(( segid " " and resid 72 and name HA3 ))
)(
(( segid " " and resid 71 and name H ))
OR
(( segid " " and resid 61 and name H ))
)
3.100 1.200 1.200 peak 2320 weight 0.10000E+01 volume 0.28900E+00 ppm1 4.098 ppm2 8.588
ASSI (
(( segid " " and resid 72 and name HA2 ))
)(
(( segid " " and resid 71 and name H ))
OR
(( segid " " and resid 61 and name H ))
)
3.000 1.100 1.100 peak 2323 weight 0.10000E+01 volume 0.32400E+00 ppm1 4.381 ppm2 8.578
ASSI (
(( segid " " and resid 19 and name HA2 ))
)(
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
)
2.800 1.000 1.000 peak 2325 weight 0.10000E+01 volume 0.52700E+00 ppm1 3.587 ppm2 1.507
ASSI (
(( segid " " and resid 19 and name HA2 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
3.200 1.300 1.300 peak 2326 weight 0.10000E+01 volume 0.43300E+00 ppm1 3.591 ppm2 0.809
ASSI (
(( segid " " and resid 19 and name HA3 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
3.600 1.600 1.600 peak 2328 weight 0.10000E+01 volume 0.23100E+00 ppm1 4.304 ppm2 0.809
ASSI (
(( segid " " and resid 19 and name HA3 ))
)(
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
)
2.600 0.800 0.800 peak 2329 weight 0.10000E+01 volume 0.73200E+00 ppm1 4.293 ppm2 0.998
ASSI (
(( segid " " and resid 19 and name HA3 ))
)(
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 20 and name HD3 ))
)
3.100 1.200 1.200 peak 2330 weight 0.10000E+01 volume 0.30400E+00 ppm1 4.288 ppm2 1.497
ASSI (
(( segid " " and resid 28 and name HA2 ))
)(
(( segid " " and resid 92 and name HE2 ))
OR
(( segid " " and resid 92 and name HE1 ))
)
3.700 1.700 1.700 peak 2335 weight 0.10000E+01 volume 0.18700E+00 ppm1 4.192 ppm2 6.082
ASSI (
(( segid " " and resid 28 and name HA3 ))
)(
(( segid " " and resid 92 and name HE2 ))
OR
(( segid " " and resid 92 and name HE1 ))
)
3.500 1.500 1.500 peak 2336 weight 0.10000E+01 volume 0.26100E+00 ppm1 4.278 ppm2 6.081
ASSI (
(( segid " " and resid 28 and name HA3 ))
)(
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)
3.800 1.800 1.800 peak 2339 weight 0.10000E+01 volume 0.16000E+00 ppm1 4.298 ppm2 6.934
ASSI (
(( segid " " and resid 28 and name HA3 ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
OR
(( segid " " and resid 36 and name HE3 ))
)
3.800 1.800 1.800 peak 2341 weight 0.10000E+01 volume 0.15100E+00 ppm1 4.293 ppm2 7.187
ASSI (
(( segid " " and resid 28 and name HA2 ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
OR
(( segid " " and resid 36 and name HE3 ))
)
3.500 1.500 1.500 peak 2342 weight 0.10000E+01 volume 0.23800E+00 ppm1 4.196 ppm2 7.196
ASSI (
(( segid " " and resid 109 and name HB2 ))
OR
(( segid " " and resid 101 and name HG2 ))
)(
(( segid " " and resid 102 and name H ))
OR
(( segid " " and resid 14 and name H ))
)
3.000 1.100 1.100 peak 2361 weight 0.10000E+01 volume 0.23200E+00 ppm1 2.013 ppm2 8.857
ASSI (
(( segid " " and resid 109 and name HB2 ))
OR
(( segid " " and resid 101 and name HG2 ))
)(
(( segid " " and resid 100 and name HA ))
OR
(( segid " " and resid 87 and name HA ))
)
3.100 1.200 1.200 peak 2363 weight 0.10000E+01 volume 0.29200E+00 ppm1 2.012 ppm2 4.904
ASSI (
(( segid " " and resid 101 and name HG3 ))
)(
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 101 and name HA ))
)
3.000 1.100 1.100 peak 2365 weight 0.10000E+01 volume 0.32800E+00 ppm1 2.184 ppm2 4.242
ASSI (
(( segid " " and resid 101 and name HG2 ))
OR
(( segid " " and resid 66 and name HG2 ))
OR
(( segid " " and resid 62 and name HG2 ))
)(
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 101 and name HA ))
OR
(( segid " " and resid 70 and name HA ))
OR
(( segid " " and resid 65 and name HB ))
)
2.700 0.900 0.900 peak 2366 weight 0.10000E+01 volume 0.59800E+00 ppm1 2.011 ppm2 4.242
ASSI (
(( segid " " and resid 101 and name HG2 ))
OR
(( segid " " and resid 66 and name HG2 ))
OR
(( segid " " and resid 62 and name HG2 ))
OR
(( segid " " and resid 4 and name HG3 ))
OR
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 101 and name HD2 ))
OR
(( segid " " and resid 66 and name HD3 ))
OR
(( segid " " and resid 62 and name HD3 ))
OR
(( segid " " and resid 4 and name HD3 ))
)
1.900 0.500 0.500 peak 2371 weight 0.10000E+01 volume 0.38640E+01 ppm1 2.018 ppm2 3.826
ASSI (
(( segid " " and resid 62 and name HG2 ))
OR
(( segid " " and resid 4 and name HG3 ))
OR
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 4 and name HD2 ))
)
2.000 0.500 0.500 peak 2372 weight 0.10000E+01 volume 0.25340E+01 ppm1 2.020 ppm2 3.658
ASSI (
(( segid " " and resid 66 and name HG3 ))
OR
(( segid " " and resid 62 and name HG3 ))
)(
(( segid " " and resid 66 and name HD3 ))
OR
(( segid " " and resid 62 and name HD3 ))
)
2.300 0.700 0.700 peak 2375 weight 0.10000E+01 volume 0.95800E+00 ppm1 1.933 ppm2 3.826
ASSI (
(( segid " " and resid 66 and name HG3 ))
OR
(( segid " " and resid 62 and name HG3 ))
)(
(( segid " " and resid 66 and name HD2 ))
OR
(( segid " " and resid 62 and name HD2 ))
)
2.500 0.800 0.800 peak 2376 weight 0.10000E+01 volume 0.74000E+00 ppm1 1.932 ppm2 3.651
ASSI (
(( segid " " and resid 66 and name HG3 ))
OR
(( segid " " and resid 62 and name HG3 ))
)(
(( segid " " and resid 66 and name HA ))
OR
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 61 and name HA ))
)
3.000 1.100 1.100 peak 2377 weight 0.10000E+01 volume 0.36000E+00 ppm1 1.935 ppm2 4.423
ASSI (
(( segid " " and resid 66 and name HG2 ))
OR
(( segid " " and resid 62 and name HG2 ))
OR
(( segid " " and resid 4 and name HG3 ))
OR
(( segid " " and resid 4 and name HG2 ))
)(
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 66 and name HA ))
OR
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 61 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
2.300 0.700 0.700 peak 2379 weight 0.10000E+01 volume 0.14670E+01 ppm1 2.027 ppm2 4.425
ASSI (
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)(
(( segid " " and resid 61 and name HA ))
OR
(( segid " " and resid 59 and name HA ))
)
2.600 0.800 0.800 peak 2380 weight 0.10000E+01 volume 0.87400E+00 ppm1 1.997 ppm2 4.468
ASSI (
(( segid " " and resid 95 and name HG3 ))
)(
(( segid " " and resid 95 and name HB2 ))
OR
(( segid " " and resid 35 and name HB2 ))
)
2.100 0.600 0.600 peak 2382 weight 0.10000E+01 volume 0.17600E+01 ppm1 2.139 ppm2 1.884
ASSI (
(( segid " " and resid 95 and name HG2 ))
)(
(( segid " " and resid 95 and name HG3 ))
OR
(( segid " " and resid 95 and name HB3 ))
)
1.600 0.300 0.600 peak 2383 weight 0.10000E+01 volume 0.81970E+01 ppm1 1.716 ppm2 2.127
ASSI (
(( segid " " and resid 95 and name HG3 ))
)(
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
3.400 1.400 1.400 peak 2384 weight 0.10000E+01 volume 0.21700E+00 ppm1 2.144 ppm2 0.855
ASSI (
(( segid " " and resid 95 and name HG2 ))
)(
(( segid " " and resid 95 and name HD2 ))
OR
(( segid " " and resid 95 and name HA ))
)
2.300 0.700 0.700 peak 2386 weight 0.10000E+01 volume 0.12040E+01 ppm1 1.714 ppm2 3.802
ASSI (
(( segid " " and resid 95 and name HG2 ))
)(
(( segid " " and resid 95 and name HB2 ))
OR
(( segid " " and resid 35 and name HB2 ))
)
2.100 0.600 0.600 peak 2389 weight 0.10000E+01 volume 0.16350E+01 ppm1 1.717 ppm2 1.880
ASSI (
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)(
(( segid " " and resid 60 and name HD2 ))
)
2.000 0.500 0.500 peak 2390 weight 0.10000E+01 volume 0.23490E+01 ppm1 1.995 ppm2 3.654
ASSI (
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)(
(( segid " " and resid 60 and name HB3 ))
)
2.000 0.500 0.500 peak 2392 weight 0.10000E+01 volume 0.26310E+01 ppm1 1.997 ppm2 2.315
ASSI (
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)(
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)
3.000 1.100 1.100 peak 2393 weight 0.10000E+01 volume 0.44200E+00 ppm1 1.991 ppm2 6.469
ASSI (
(( segid " " and resid 60 and name HG3 ))
OR
(( segid " " and resid 60 and name HG2 ))
)(
(( segid " " and resid 60 and name HA ))
)
2.800 1.000 1.000 peak 2394 weight 0.10000E+01 volume 0.48500E+00 ppm1 1.994 ppm2 4.342
ASSI (
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
)(
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
)
2.000 0.500 0.500 peak 2395 weight 0.10000E+01 volume 0.27510E+01 ppm1 2.084 ppm2 2.276
ASSI (
(( segid " " and resid 38 and name HG2 ))
)(
(( segid " " and resid 38 and name HD3 ))
OR
(( segid " " and resid 38 and name HD2 ))
)
2.500 0.800 0.800 peak 2401 weight 0.10000E+01 volume 0.73500E+00 ppm1 1.756 ppm2 2.391
ASSI (
(( segid " " and resid 38 and name HG2 ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
2.900 1.100 1.100 peak 2412 weight 0.10000E+01 volume 0.46500E+00 ppm1 1.990 ppm2 7.245
ASSI (
(( segid " " and resid 38 and name HG2 ))
)(
(( segid " " and resid 89 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
3.000 1.100 1.100 peak 2414 weight 0.10000E+01 volume 0.21400E+00 ppm1 1.993 ppm2 8.666
ASSI (
(( segid " " and resid 80 and name HG3 ))
)(
(( 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 0.900 0.900 peak 2424 weight 0.10000E+01 volume 0.74900E+00 ppm1 2.242 ppm2 1.093
ASSI (
(( segid " " and resid 80 and name HG3 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.300 0.700 0.700 peak 2425 weight 0.10000E+01 volume 0.23590E+01 ppm1 2.245 ppm2 0.842
ASSI (
(( segid " " and resid 80 and name HG3 ))
)(
(( segid " " and resid 79 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
3.300 1.400 1.400 peak 2429 weight 0.10000E+01 volume 0.19600E+00 ppm1 2.241 ppm2 5.493
ASSI (
(( segid " " and resid 80 and name HG2 ))
)(
(( segid " " and resid 79 and name HA ))
OR
(( segid " " and resid 17 and name HA ))
)
3.100 1.200 1.200 peak 2431 weight 0.10000E+01 volume 0.27500E+00 ppm1 1.772 ppm2 5.494
ASSI (
(( segid " " and resid 105 and name HG3 ))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
)
3.200 1.300 1.300 peak 2432 weight 0.10000E+01 volume 0.22900E+00 ppm1 1.772 ppm2 5.175
ASSI (
(( segid " " and resid 105 and name HG3 ))
)(
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)
2.200 0.600 0.600 peak 2435 weight 0.10000E+01 volume 0.15010E+01 ppm1 1.763 ppm2 3.162
ASSI (
(( segid " " and resid 80 and name HG2 ))
)(
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
2.500 0.800 0.800 peak 2438 weight 0.10000E+01 volume 0.13760E+01 ppm1 1.780 ppm2 1.088
ASSI (
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 80 and name HG2 ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
)
2.400 0.700 0.700 peak 2439 weight 0.10000E+01 volume 0.16360E+01 ppm1 1.777 ppm2 0.876
ASSI (
(( segid " " and resid 80 and name HG2 ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
)
2.500 0.800 0.800 peak 2440 weight 0.10000E+01 volume 0.14160E+01 ppm1 1.776 ppm2 0.738
ASSI (
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
)(
(( segid " " and resid 102 and name H ))
)
2.200 0.600 0.600 peak 2443 weight 0.10000E+01 volume 0.12510E+01 ppm1 2.057 ppm2 8.857
ASSI (
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)(
(( segid " " and resid 49 and name HB2 ))
)
2.600 0.800 0.800 peak 2445 weight 0.10000E+01 volume 0.51500E+00 ppm1 2.019 ppm2 3.296
ASSI (
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
)
2.900 1.100 1.100 peak 2446 weight 0.10000E+01 volume 0.29800E+00 ppm1 2.016 ppm2 2.956
ASSI (
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)(
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)
1.900 0.500 0.500 peak 2447 weight 0.10000E+01 volume 0.30030E+01 ppm1 2.016 ppm2 2.284
ASSI (
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)(
(( segid " " and resid 50 and name H ))
)
2.200 0.600 0.600 peak 2448 weight 0.10000E+01 volume 0.13320E+01 ppm1 2.016 ppm2 8.599
ASSI (
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)(
(( segid " " and resid 51 and name H ))
)
2.700 0.900 0.900 peak 2449 weight 0.10000E+01 volume 0.37900E+00 ppm1 2.018 ppm2 7.589
ASSI (
(( segid " " and resid 83 and name HG2 ))
)(
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)
2.200 0.600 0.600 peak 2450 weight 0.10000E+01 volume 0.15270E+01 ppm1 1.725 ppm2 3.227
ASSI (
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
)(
(( segid " " and resid 19 and name HA3 ))
)
2.800 1.000 1.000 peak 2453 weight 0.10000E+01 volume 0.46300E+00 ppm1 1.501 ppm2 4.261
ASSI (
(( segid " " and resid 83 and name HG3 ))
)(
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 18 and name H ))
)
2.800 1.000 1.000 peak 2454 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.503 ppm2 8.719
ASSI (
(( segid " " and resid 83 and name HG3 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.500 0.800 0.800 peak 2457 weight 0.10000E+01 volume 0.12000E+01 ppm1 1.505 ppm2 0.794
ASSI (
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 82 and name HD2 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.600 0.800 0.800 peak 2458 weight 0.10000E+01 volume 0.11210E+01 ppm1 1.727 ppm2 0.788
ASSI (
(( segid " " and resid 113 and name HD3 ))
OR
(( segid " " and resid 113 and name HD2 ))
)(
(( segid " " and resid 113 and name HA ))
)
2.500 0.800 0.800 peak 2463 weight 0.10000E+01 volume 0.95400E+00 ppm1 1.631 ppm2 4.269
ASSI (
(( segid " " and resid 51 and name HG13))
)(
(( segid " " and resid 51 and name HG23))
OR
(( segid " " and resid 51 and name HG22))
OR
(( segid " " and resid 51 and name HG21))
)
2.600 0.800 0.800 peak 2465 weight 0.10000E+01 volume 0.11250E+01 ppm1 1.475 ppm2 0.292
ASSI (
(( segid " " and resid 51 and name HG13))
)(
(( segid " " and resid 50 and name HG3 ))
OR
(( segid " " and resid 50 and name HG2 ))
)
2.700 0.900 0.900 peak 2469 weight 0.10000E+01 volume 0.37300E+00 ppm1 1.478 ppm2 2.292
ASSI (
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)(
(( segid " " and resid 81 and name HD2 ))
)
1.900 0.500 0.500 peak 2471 weight 0.10000E+01 volume 0.35790E+01 ppm1 1.574 ppm2 3.048
ASSI (
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)(
(( segid " " and resid 81 and name HA ))
)
2.400 0.700 0.700 peak 2472 weight 0.10000E+01 volume 0.11650E+01 ppm1 1.575 ppm2 4.417
ASSI (
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)(
(( segid " " and resid 81 and name HE ))
)
2.900 1.100 1.100 peak 2473 weight 0.10000E+01 volume 0.26000E+00 ppm1 1.573 ppm2 7.248
ASSI (
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)(
(( segid " " and resid 53 and name H ))
)
2.800 1.000 1.000 peak 2474 weight 0.10000E+01 volume 0.30800E+00 ppm1 1.573 ppm2 8.436
ASSI (
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)(
(( segid " " and resid 81 and name H ))
)
2.500 0.800 0.800 peak 2475 weight 0.10000E+01 volume 0.69400E+00 ppm1 1.577 ppm2 8.979
ASSI (
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)(
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 53 and name HG3 ))
)
2.000 0.500 0.500 peak 2478 weight 0.10000E+01 volume 0.22610E+01 ppm1 1.574 ppm2 1.986
ASSI (
(( segid " " and resid 47 and name HG ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.400 0.700 0.700 peak 2484 weight 0.10000E+01 volume 0.15830E+01 ppm1 1.667 ppm2 0.880
ASSI (
(( segid " " and resid 104 and name HB2 ))
OR
(( segid " " and resid 36 and name HB3 ))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
OR
(( segid " " and resid 36 and name HH2 ))
)
3.400 1.400 1.400 peak 2488 weight 0.10000E+01 volume 0.18400E+00 ppm1 1.974 ppm2 6.729
ASSI (
(( segid " " and resid 104 and name HB2 ))
OR
(( segid " " and resid 53 and name HB2 ))
OR
(( segid " " and resid 36 and name HB3 ))
)(
(( segid " " and resid 106 and name HD2 ))
OR
(( segid " " and resid 106 and name HD1 ))
OR
(( segid " " and resid 48 and name H ))
OR
(( segid " " and resid 36 and name HH2 ))
)
3.700 1.700 1.700 peak 2490 weight 0.10000E+01 volume 0.10400E+00 ppm1 1.954 ppm2 6.719
ASSI (
(( segid " " and resid 104 and name HB2 ))
OR
(( segid " " and resid 36 and name HB3 ))
)(
(( segid " " and resid 92 and name H ))
)
3.000 1.100 1.100 peak 2494 weight 0.10000E+01 volume 0.21900E+00 ppm1 1.974 ppm2 8.112
ASSI (
(( segid " " and resid 104 and name HB2 ))
OR
(( segid " " and resid 36 and name HB3 ))
)(
(( segid " " and resid 104 and name HG3 ))
OR
(( segid " " and resid 104 and name HG2 ))
OR
(( segid " " and resid 74 and name HB3 ))
)
2.300 0.700 0.700 peak 2499 weight 0.10000E+01 volume 0.96700E+00 ppm1 1.975 ppm2 2.447
ASSI (
(( segid " " and resid 104 and name HB3 ))
)(
(( segid " " and resid 104 and name HG3 ))
OR
(( segid " " and resid 104 and name HG2 ))
)
2.300 0.700 0.700 peak 2500 weight 0.10000E+01 volume 0.10180E+01 ppm1 2.045 ppm2 2.461
ASSI (
(( segid " " and resid 53 and name HB2 ))
)(
(( segid " " and resid 53 and name HG2 ))
OR
(( segid " " and resid 53 and name HB3 ))
)
1.900 0.500 0.500 peak 2503 weight 0.10000E+01 volume 0.33430E+01 ppm1 1.921 ppm2 2.187
ASSI (
(( segid " " and resid 42 and name HB ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
OR
(( segid " " and resid 37 and name HG22))
)
2.300 0.700 0.700 peak 2505 weight 0.10000E+01 volume 0.19040E+01 ppm1 2.037 ppm2 1.021
ASSI (
(( segid " " and resid 42 and name HB ))
)(
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.200 0.600 0.600 peak 2506 weight 0.10000E+01 volume 0.28260E+01 ppm1 2.038 ppm2 0.859
ASSI (
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HA ))
)
2.200 0.600 0.600 peak 2511 weight 0.10000E+01 volume 0.19970E+01 ppm1 1.733 ppm2 4.259
ASSI (
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 100 and name HE3 ))
OR
(( segid " " and resid 100 and name HE2 ))
)
2.700 0.900 0.900 peak 2512 weight 0.10000E+01 volume 0.38200E+00 ppm1 1.735 ppm2 2.839
ASSI (
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name HG3 ))
OR
(( segid " " and resid 97 and name HG2 ))
)
1.900 0.500 0.500 peak 2513 weight 0.10000E+01 volume 0.30860E+01 ppm1 1.734 ppm2 2.074
ASSI (
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 94 and name HB2 ))
)
2.500 0.800 0.800 peak 2514 weight 0.10000E+01 volume 0.73700E+00 ppm1 1.734 ppm2 1.176
ASSI (
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 94 and name HB3 ))
)
2.600 0.800 0.800 peak 2515 weight 0.10000E+01 volume 0.48600E+00 ppm1 1.727 ppm2 0.947
ASSI (
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 98 and name H ))
)
2.600 0.800 0.800 peak 2516 weight 0.10000E+01 volume 0.54800E+00 ppm1 1.735 ppm2 7.388
ASSI (
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
)(
(( segid " " and resid 97 and name H ))
)
2.300 0.700 0.700 peak 2517 weight 0.10000E+01 volume 0.11550E+01 ppm1 1.732 ppm2 7.057
ASSI (
(( segid " " and resid 83 and name HB3 ))
)(
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
)
2.500 0.800 0.800 peak 2521 weight 0.10000E+01 volume 0.69500E+00 ppm1 1.750 ppm2 3.224
ASSI (
(( segid " " and resid 83 and name HB3 ))
OR
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 84 and name H ))
OR
(( segid " " and resid 81 and name H ))
)
2.300 0.700 0.700 peak 2523 weight 0.10000E+01 volume 0.10930E+01 ppm1 1.731 ppm2 8.988
ASSI (
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)
2.000 0.500 0.500 peak 2529 weight 0.10000E+01 volume 0.25200E+01 ppm1 1.709 ppm2 1.565
ASSI (
(( segid " " and resid 81 and name HB3 ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
)
2.100 0.600 0.600 peak 2532 weight 0.10000E+01 volume 0.18100E+01 ppm1 1.999 ppm2 1.563
ASSI (
(( segid " " and resid 66 and name HB2 ))
OR
(( segid " " and resid 62 and name HB2 ))
OR
(( segid " " and resid 4 and name HB2 ))
)(
(( segid " " and resid 66 and name HA ))
OR
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
2.300 0.700 0.700 peak 2536 weight 0.10000E+01 volume 0.15800E+01 ppm1 1.917 ppm2 4.408
ASSI (
(( segid " " and resid 66 and name HB3 ))
OR
(( segid " " and resid 62 and name HB3 ))
)(
(( segid " " and resid 67 and name H ))
OR
(( segid " " and resid 63 and name H ))
)
2.800 1.000 1.000 peak 2540 weight 0.10000E+01 volume 0.36200E+00 ppm1 2.293 ppm2 8.368
ASSI (
(( segid " " and resid 66 and name HB2 ))
OR
(( segid " " and resid 62 and name HB2 ))
OR
(( segid " " and resid 18 and name HB ))
)(
(( segid " " and resid 67 and name H ))
OR
(( segid " " and resid 63 and name H ))
OR
(( segid " " and resid 19 and name H ))
)
2.600 0.800 0.800 peak 2543 weight 0.10000E+01 volume 0.51000E+00 ppm1 1.918 ppm2 8.370
ASSI (
(( segid " " and resid 62 and name HB3 ))
OR
(( segid " " and resid 4 and name HB3 ))
)(
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
2.200 0.600 0.600 peak 2549 weight 0.10000E+01 volume 0.20040E+01 ppm1 2.259 ppm2 4.416
ASSI (
(( segid " " and resid 66 and name HB3 ))
OR
(( segid " " and resid 62 and name HB3 ))
OR
(( segid " " and resid 4 and name HB3 ))
)(
(( segid " " and resid 66 and name HA ))
OR
(( segid " " and resid 62 and name HA ))
OR
(( segid " " and resid 4 and name HA ))
)
2.200 0.600 0.600 peak 2550 weight 0.10000E+01 volume 0.24020E+01 ppm1 2.290 ppm2 4.391
ASSI (
(( segid " " and resid 62 and name HB3 ))
OR
(( segid " " and resid 4 and name HB3 ))
)(
(( segid " " and resid 62 and name HD3 ))
OR
(( segid " " and resid 4 and name HD3 ))
)
2.600 0.800 0.800 peak 2553 weight 0.10000E+01 volume 0.54400E+00 ppm1 2.261 ppm2 3.830
ASSI (
(( segid " " and resid 39 and name HB ))
)(
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)
2.100 0.600 0.600 peak 2556 weight 0.10000E+01 volume 0.34200E+01 ppm1 2.027 ppm2 0.928
ASSI (
(( segid " " and resid 95 and name HB3 ))
)(
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
2.800 1.000 1.000 peak 2558 weight 0.10000E+01 volume 0.60700E+00 ppm1 2.086 ppm2 0.855
ASSI (
(( segid " " and resid 101 and name HB2 ))
OR
(( segid " " and resid 95 and name HB2 ))
)(
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 96 and name H ))
)
2.800 1.000 1.000 peak 2561 weight 0.10000E+01 volume 0.32100E+00 ppm1 1.884 ppm2 7.802
ASSI (
(( segid " " and resid 95 and name HB3 ))
)(
(( segid " " and resid 96 and name H ))
OR
(( segid " " and resid 42 and name H ))
)
2.900 1.100 1.100 peak 2562 weight 0.10000E+01 volume 0.27200E+00 ppm1 2.089 ppm2 7.793
ASSI (
(( segid " " and resid 39 and name HB ))
)(
(( segid " " and resid 41 and name H ))
OR
(( segid " " and resid 39 and name H ))
)
2.200 0.600 0.600 peak 2563 weight 0.10000E+01 volume 0.12850E+01 ppm1 2.029 ppm2 8.666
ASSI (
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)(
(( segid " " and resid 23 and name HA ))
)
2.500 0.800 0.800 peak 2565 weight 0.10000E+01 volume 0.10230E+01 ppm1 1.771 ppm2 5.283
ASSI (
(( segid " " and resid 83 and name HB3 ))
OR
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)(
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 23 and name H ))
)
2.100 0.600 0.600 peak 2568 weight 0.10000E+01 volume 0.20590E+01 ppm1 1.760 ppm2 8.726
ASSI (
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)(
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.200 0.600 0.600 peak 2569 weight 0.10000E+01 volume 0.24400E+01 ppm1 1.786 ppm2 0.730
ASSI (
(( segid " " and resid 95 and name HB2 ))
OR
(( segid " " and resid 60 and name HB2 ))
)(
(( segid " " and resid 94 and name HE ))
OR
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)
3.400 1.400 1.400 peak 2570 weight 0.10000E+01 volume 0.16600E+00 ppm1 1.849 ppm2 6.450
ASSI (
(( segid " " and resid 60 and name HB3 ))
)(
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)
3.200 1.300 1.300 peak 2571 weight 0.10000E+01 volume 0.28100E+00 ppm1 2.318 ppm2 6.466
ASSI (
(( segid " " and resid 75 and name HB ))
OR
(( segid " " and resid 60 and name HB2 ))
)(
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 60 and name HA ))
)
2.400 0.700 0.700 peak 2572 weight 0.10000E+01 volume 0.13750E+01 ppm1 1.860 ppm2 4.313
ASSI (
(( segid " " and resid 60 and name HB2 ))
)(
(( segid " " and resid 62 and name HD2 ))
OR
(( segid " " and resid 60 and name HD2 ))
)
2.600 0.800 0.800 peak 2576 weight 0.10000E+01 volume 0.51600E+00 ppm1 1.858 ppm2 3.660
ASSI (
(( segid " " and resid 67 and name HG2 ))
OR
(( segid " " and resid 1 and name HG3 ))
OR
(( segid " " and resid 1 and name HG2 ))
)(
(( segid " " and resid 67 and name HA ))
OR
(( segid " " and resid 1 and name HA ))
)
3.200 1.300 1.300 peak 2579 weight 0.10000E+01 volume 0.23500E+00 ppm1 2.515 ppm2 4.463
ASSI (
(( segid " " and resid 1 and name HG3 ))
OR
(( segid " " and resid 1 and name HG2 ))
)(
(( segid " " and resid 0 and name H ))
OR
(( segid " " and resid -1 and name H ))
)
3.700 1.700 1.700 peak 2581 weight 0.10000E+01 volume 0.67000E-01 ppm1 2.573 ppm2 8.675
ASSI (
(( segid " " and resid 80 and name HB3 ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 52 and name HA ))
OR
(( segid " " and resid 45 and name HA ))
OR
(( segid " " and resid 44 and name HA ))
)
2.500 0.800 0.800 peak 2583 weight 0.10000E+01 volume 0.89900E+00 ppm1 2.186 ppm2 4.603
ASSI (
(( segid " " and resid 46 and name HB ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 45 and name H ))
)
2.600 0.800 0.800 peak 2588 weight 0.10000E+01 volume 0.49000E+00 ppm1 2.186 ppm2 8.515
ASSI (
(( segid " " and resid 46 and name HB ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 47 and name H ))
OR
(( segid " " and resid 43 and name H ))
)
3.100 1.200 1.200 peak 2590 weight 0.10000E+01 volume 0.19300E+00 ppm1 2.185 ppm2 8.865
ASSI (
(( segid " " and resid 46 and name HB ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 44 and name HE3 ))
OR
(( segid " " and resid 44 and name HE2 ))
OR
(( segid " " and resid 41 and name HB2 ))
)
3.000 1.100 1.100 peak 2594 weight 0.10000E+01 volume 0.21300E+00 ppm1 2.197 ppm2 2.972
ASSI (
(( segid " " and resid 44 and name HB3 ))
)(
(( segid " " and resid 44 and name HE3 ))
OR
(( segid " " and resid 44 and name HE2 ))
)
3.000 1.100 1.100 peak 2595 weight 0.10000E+01 volume 0.23100E+00 ppm1 2.094 ppm2 2.976
ASSI (
(( segid " " and resid 46 and name HB ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 46 and name H ))
)
2.100 0.600 0.600 peak 2596 weight 0.10000E+01 volume 0.18130E+01 ppm1 2.177 ppm2 7.627
ASSI (
(( segid " " and resid 70 and name HB ))
)(
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
)
2.100 0.600 0.600 peak 2600 weight 0.10000E+01 volume 0.36370E+01 ppm1 2.189 ppm2 0.966
ASSI (
(( segid " " and resid 80 and name HB3 ))
)(
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
2.600 0.800 0.800 peak 2601 weight 0.10000E+01 volume 0.10550E+01 ppm1 2.176 ppm2 0.730
ASSI (
(( segid " " and resid 80 and name HB3 ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD11))
)
2.400 0.700 0.700 peak 2602 weight 0.10000E+01 volume 0.15230E+01 ppm1 2.178 ppm2 0.854
ASSI (
(( segid " " and resid 80 and name HB3 ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 80 and name HG2 ))
OR
(( segid " " and resid 44 and name HD2 ))
)
2.300 0.700 0.700 peak 2603 weight 0.10000E+01 volume 0.10220E+01 ppm1 2.179 ppm2 1.779
ASSI (
(( segid " " and resid 80 and name HB2 ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.400 0.700 0.700 peak 2607 weight 0.10000E+01 volume 0.15660E+01 ppm1 1.991 ppm2 0.847
ASSI (
(( segid " " and resid 80 and name HB3 ))
OR
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 80 and name HD2 ))
OR
(( segid " " and resid 41 and name HA ))
)
2.900 1.100 1.100 peak 2610 weight 0.10000E+01 volume 0.31900E+00 ppm1 2.183 ppm2 4.475
ASSI (
(( segid " " and resid 113 and name HB2 ))
)(
(( segid " " and resid 113 and name HE3 ))
OR
(( segid " " and resid 113 and name HE2 ))
)
3.000 1.100 1.100 peak 2620 weight 0.10000E+01 volume 0.21700E+00 ppm1 1.902 ppm2 2.897
ASSI (
(( segid " " and resid 113 and name HB3 ))
)(
(( segid " " and resid 113 and name HE3 ))
OR
(( segid " " and resid 113 and name HE2 ))
)
3.300 1.400 1.400 peak 2621 weight 0.10000E+01 volume 0.13500E+00 ppm1 1.475 ppm2 2.907
ASSI (
(( segid " " and resid 113 and name HB3 ))
)(
(( segid " " and resid 113 and name HG3 ))
OR
(( segid " " and resid 113 and name HG2 ))
)
2.000 0.500 0.500 peak 2626 weight 0.10000E+01 volume 0.23700E+01 ppm1 1.475 ppm2 1.322
ASSI (
(( segid " " and resid 113 and name HB2 ))
OR
(( segid " " and resid 27 and name HB2 ))
)(
(( segid " " and resid 113 and name H ))
OR
(( segid " " and resid 28 and name H ))
)
2.300 0.700 0.700 peak 2628 weight 0.10000E+01 volume 0.11230E+01 ppm1 1.902 ppm2 8.357
ASSI (
(( segid " " and resid 70 and name HB ))
OR
(( segid " " and resid 7 and name HB ))
)(
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 70 and name HG12))
OR
(( segid " " and resid 70 and name HG11))
OR
(( segid " " and resid 7 and name HG23))
OR
(( segid " " and resid 7 and name HG22))
OR
(( segid " " and resid 7 and name HG21))
OR
(( segid " " and resid 7 and name HG13))
OR
(( segid " " and resid 7 and name HG12))
OR
(( segid " " and resid 7 and name HG11))
)
2.300 0.700 0.700 peak 2632 weight 0.10000E+01 volume 0.21500E+01 ppm1 2.151 ppm2 0.992
ASSI (
(( segid " " and resid 68 and name HB ))
)(
(( segid " " and resid 68 and name HG23))
OR
(( segid " " and resid 68 and name HG22))
OR
(( segid " " and resid 68 and name HG21))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
OR
(( segid " " and resid 68 and name HG11))
)
2.200 0.600 0.600 peak 2635 weight 0.10000E+01 volume 0.28950E+01 ppm1 2.070 ppm2 0.952
ASSI (
(( segid " " and resid 1 and name HB3 ))
OR
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 1 and name HA ))
)
2.600 0.800 0.800 peak 2638 weight 0.10000E+01 volume 0.77300E+00 ppm1 2.094 ppm2 4.442
ASSI (
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 8 and name HB3 ))
)(
(( segid " " and resid 20 and name HD3 ))
OR
(( segid " " and resid 8 and name HG3 ))
OR
(( segid " " and resid 8 and name HG2 ))
)
2.200 0.600 0.600 peak 2640 weight 0.10000E+01 volume 0.15110E+01 ppm1 1.891 ppm2 1.459
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 8 and name HG3 ))
OR
(( segid " " and resid 8 and name HG2 ))
)
2.400 0.700 0.700 peak 2641 weight 0.10000E+01 volume 0.90600E+00 ppm1 1.790 ppm2 1.459
ASSI (
(( segid " " and resid 20 and name HB2 ))
OR
(( segid " " and resid 8 and name HB3 ))
)(
(( segid " " and resid 17 and name HB3 ))
OR
(( segid " " and resid 9 and name HB2 ))
)
3.200 1.300 1.300 peak 2642 weight 0.10000E+01 volume 0.14600E+00 ppm1 1.886 ppm2 2.749
ASSI (
(( segid " " and resid 75 and name HB ))
OR
(( segid " " and resid 20 and name HB2 ))
)(
(( segid " " and resid 74 and name HB2 ))
OR
(( segid " " and resid 25 and name HB2 ))
OR
(( segid " " and resid 17 and name HB3 ))
)
3.200 1.300 1.300 peak 2644 weight 0.10000E+01 volume 0.16400E+00 ppm1 1.904 ppm2 2.753
ASSI (
(( segid " " and resid 75 and name HB ))
OR
(( segid " " and resid 20 and name HB2 ))
)(
(( segid " " and resid 75 and name H ))
OR
(( segid " " and resid 17 and name H ))
)
2.300 0.700 0.700 peak 2663 weight 0.10000E+01 volume 0.11550E+01 ppm1 1.879 ppm2 8.838
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))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 76 and name HG12))
OR
(( segid " " and resid 76 and name HG11))
)
2.100 0.600 0.600 peak 2665 weight 0.10000E+01 volume 0.38200E+01 ppm1 1.727 ppm2 0.561
ASSI (
(( segid " " and resid 100 and name HB2 ))
)(
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
OR
(( segid " " and resid 100 and name HB3 ))
)
1.800 0.400 0.400 peak 2673 weight 0.10000E+01 volume 0.41660E+01 ppm1 2.088 ppm2 1.464
ASSI (
(( segid " " and resid 100 and name HB2 ))
)(
(( segid " " and resid 101 and name HD3 ))
OR
(( segid " " and resid 101 and name HD2 ))
)
2.300 0.700 0.700 peak 2675 weight 0.10000E+01 volume 0.10500E+01 ppm1 2.081 ppm2 3.832
ASSI (
(( segid " " and resid 100 and name HB3 ))
)(
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 100 and name H ))
)
2.400 0.700 0.700 peak 2682 weight 0.10000E+01 volume 0.93000E+00 ppm1 1.513 ppm2 7.741
ASSI (
(( segid " " and resid 100 and name HB2 ))
)(
(( segid " " and resid 103 and name HD22))
OR
(( segid " " and resid 103 and name H ))
OR
(( segid " " and resid 100 and name H ))
)
2.700 0.900 0.900 peak 2683 weight 0.10000E+01 volume 0.44200E+00 ppm1 2.085 ppm2 7.761
ASSI (
(( segid " " and resid 1 and name HB3 ))
OR
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 2 and name H ))
)
2.900 1.100 1.100 peak 2684 weight 0.10000E+01 volume 0.29500E+00 ppm1 2.077 ppm2 8.298
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG21))
OR
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
3.100 1.200 1.200 peak 2688 weight 0.10000E+01 volume 0.32700E+00 ppm1 1.834 ppm2 1.075
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
)
2.000 0.500 0.500 peak 2689 weight 0.10000E+01 volume 0.53760E+01 ppm1 1.830 ppm2 0.775
ASSI (
(( segid " " and resid 78 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))
OR
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
2.900 1.100 1.100 peak 2690 weight 0.10000E+01 volume 0.54000E+00 ppm1 1.828 ppm2 0.556
ASSI (
(( segid " " and resid 54 and name HB ))
)(
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.000 0.500 0.500 peak 2693 weight 0.10000E+01 volume 0.45850E+01 ppm1 1.563 ppm2 0.559
ASSI (
(( segid " " and resid 54 and name HB ))
)(
(( segid " " and resid 52 and name HB3 ))
OR
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.800 1.000 1.000 peak 2695 weight 0.10000E+01 volume 0.59200E+00 ppm1 1.559 ppm2 0.864
ASSI (
(( segid " " and resid 54 and name HB ))
)(
(( segid " " and resid 53 and name HA ))
OR
(( segid " " and resid 48 and name HA ))
OR
(( segid " " and resid 37 and name HA ))
)
3.200 1.300 1.300 peak 2696 weight 0.10000E+01 volume 0.23700E+00 ppm1 1.557 ppm2 4.562
ASSI (
(( segid " " and resid 54 and name HB ))
)(
(( segid " " and resid 55 and name HA ))
OR
(( segid " " and resid 47 and name HA ))
)
3.200 1.300 1.300 peak 2697 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.551 ppm2 4.264
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)(
(( segid " " and resid 12 and name HG3 ))
)
2.300 0.700 0.700 peak 2700 weight 0.10000E+01 volume 0.96500E+00 ppm1 1.753 ppm2 1.442
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)(
(( segid " " and resid 12 and name HG2 ))
)
2.400 0.700 0.700 peak 2703 weight 0.10000E+01 volume 0.90500E+00 ppm1 1.706 ppm2 1.222
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)(
(( segid " " and resid 108 and name HA ))
OR
(( segid " " and resid 12 and name HA ))
)
2.500 0.800 0.800 peak 2704 weight 0.10000E+01 volume 0.10230E+01 ppm1 1.754 ppm2 4.687
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)(
(( segid " " and resid 12 and name HA ))
)
2.500 0.800 0.800 peak 2705 weight 0.10000E+01 volume 0.97800E+00 ppm1 1.710 ppm2 4.686
ASSI (
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
2.700 0.900 0.900 peak 2708 weight 0.10000E+01 volume 0.79700E+00 ppm1 1.710 ppm2 0.871
ASSI (
(( segid " " and resid 41 and name HB2 ))
)(
(( segid " " and resid 95 and name HG3 ))
OR
(( segid " " and resid 46 and name HB ))
OR
(( segid " " and resid 44 and name HB2 ))
OR
(( segid " " and resid 35 and name HG2 ))
)
3.100 1.200 1.200 peak 2709 weight 0.10000E+01 volume 0.19300E+00 ppm1 2.974 ppm2 2.173
ASSI (
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)(
(( segid " " and resid 96 and name H ))
OR
(( segid " " and resid 42 and name H ))
)
3.000 1.100 1.100 peak 2710 weight 0.10000E+01 volume 0.43700E+00 ppm1 0.858 ppm2 7.789
ASSI (
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)(
(( segid " " and resid 43 and name H ))
OR
(( segid " " and resid 16 and name H ))
)
2.700 0.900 0.900 peak 2711 weight 0.10000E+01 volume 0.75500E+00 ppm1 0.858 ppm2 8.870
ASSI (
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)(
(( segid " " and resid 98 and name HA3 ))
OR
(( segid " " and resid 93 and name HB ))
OR
(( segid " " and resid 41 and name HB3 ))
OR
(( segid " " and resid 39 and name HA ))
)
3.200 1.300 1.300 peak 2712 weight 0.10000E+01 volume 0.33700E+00 ppm1 0.857 ppm2 3.492
ASSI (
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)(
(( segid " " and resid 98 and name HA2 ))
OR
(( segid " " and resid 43 and name HA2 ))
)
3.400 1.400 1.400 peak 2713 weight 0.10000E+01 volume 0.31600E+00 ppm1 0.860 ppm2 4.190
ASSI (
(( segid " " and resid 82 and name HD2 ))
OR
(( segid " " and resid 44 and name HD2 ))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
OR
(( segid " " and resid 44 and name HE3 ))
OR
(( segid " " and resid 44 and name HE2 ))
)
2.500 0.800 0.800 peak 2716 weight 0.10000E+01 volume 0.67800E+00 ppm1 1.772 ppm2 3.000
ASSI (
(( segid " " and resid 27 and name HD3 ))
OR
(( segid " " and resid 27 and name HD2 ))
OR
(( segid " " and resid 8 and name HD3 ))
OR
(( segid " " and resid 8 and name HD2 ))
)(
(( segid " " and resid 27 and name HE3 ))
OR
(( segid " " and resid 27 and name HE2 ))
OR
(( segid " " and resid 8 and name HE3 ))
OR
(( segid " " and resid 8 and name HE2 ))
)
1.900 0.500 0.500 peak 2718 weight 0.10000E+01 volume 0.37110E+01 ppm1 1.710 ppm2 3.006
ASSI (
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 10 and name HB2 ))
)
2.100 0.600 0.600 peak 2719 weight 0.10000E+01 volume 0.19850E+01 ppm1 1.724 ppm2 3.001
ASSI (
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 105 and name HD3 ))
OR
(( segid " " and resid 105 and name HD2 ))
)
2.300 0.700 0.700 peak 2724 weight 0.10000E+01 volume 0.10830E+01 ppm1 1.718 ppm2 3.164
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 82 and name HE3 ))
OR
(( segid " " and resid 82 and name HE2 ))
)
3.200 1.300 1.300 peak 2730 weight 0.10000E+01 volume 0.21100E+00 ppm1 3.818 ppm2 2.996
ASSI (
(( segid " " and resid 111 and name HB2 ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 86 and name H ))
OR
(( segid " " and resid 15 and name H ))
OR
(( segid " " and resid 14 and name H ))
)
3.000 1.100 1.100 peak 2736 weight 0.10000E+01 volume 0.22300E+00 ppm1 2.749 ppm2 8.789
ASSI (
(( segid " " and resid 111 and name HB3 ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 15 and name H ))
)
3.200 1.300 1.300 peak 2744 weight 0.10000E+01 volume 0.14700E+00 ppm1 3.371 ppm2 8.742
ASSI (
(( segid " " and resid 12 and name HG2 ))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
2.800 1.000 1.000 peak 2752 weight 0.10000E+01 volume 0.69000E+00 ppm1 1.229 ppm2 0.856
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 38 and name HD3 ))
OR
(( segid " " and resid 38 and name HD2 ))
)
3.000 1.100 1.100 peak 2757 weight 0.10000E+01 volume 0.42900E+00 ppm1 7.252 ppm2 2.387
ASSI (
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)(
(( segid " " and resid 38 and name HB3 ))
)
3.200 1.300 1.300 peak 2758 weight 0.10000E+01 volume 0.28800E+00 ppm1 7.257 ppm2 1.201
ASSI (
(( segid " " and resid 15 and name HB3 ))
OR
(( segid " " and resid 15 and name HB2 ))
)(
(( segid " " and resid 14 and name HA ))
)
2.900 1.100 1.100 peak 2762 weight 0.10000E+01 volume 0.39300E+00 ppm1 2.664 ppm2 4.583
ASSI (
(( segid " " and resid 92 and name HD2 ))
)(
(( segid " " and resid 92 and name HA ))
)
2.800 1.000 1.000 peak 1 weight 0.10000E+01 volume 0.91900E+00 ppm1 5.720 ppm2 4.379
ASSI (
(( segid " " and resid 92 and name HE2 ))
)(
(( segid " " and resid 35 and name HA ))
)
2.800 1.000 1.000 peak 6 weight 0.10000E+01 volume 0.86800E+00 ppm1 6.085 ppm2 4.565
ASSI (
(( segid " " and resid 34 and name HE2 ))
)(
(( segid " " and resid 93 and name HA ))
)
2.800 1.000 1.000 peak 44 weight 0.10000E+01 volume 0.95200E+00 ppm1 6.600 ppm2 4.568
ASSI (
(( segid " " and resid 36 and name HE3 ))
)(
(( segid " " and resid 36 and name HB2 ))
)
3.000 1.100 1.100 peak 62 weight 0.10000E+01 volume 0.44700E+00 ppm1 7.179 ppm2 2.596
ASSI (
(( segid " " and resid 85 and name HD2 ))
)(
(( segid " " and resid 111 and name HA ))
)
3.500 1.500 1.500 peak 67 weight 0.10000E+01 volume 0.23700E+00 ppm1 7.005 ppm2 4.783
ASSI (
(( segid " " and resid 85 and name HD2 ))
)(
(( segid " " and resid 85 and name HA ))
)
3.800 1.800 1.800 peak 68 weight 0.10000E+01 volume 0.15600E+00 ppm1 7.012 ppm2 5.273
ASSI (
(( segid " " and resid 36 and name HE3 ))
)(
(( segid " " and resid 90 and name HB2 ))
)
2.600 0.800 0.800 peak 76 weight 0.10000E+01 volume 0.90300E+00 ppm1 7.187 ppm2 1.733
ASSI (
(( segid " " and resid 36 and name HE3 ))
)(
(( segid " " and resid 91 and name H ))
)
3.400 1.400 1.400 peak 79 weight 0.10000E+01 volume 0.20000E+00 ppm1 7.181 ppm2 9.433
ASSI (
(( segid " " and resid 36 and name HE3 ))
)(
(( segid " " and resid 37 and name H ))
)
3.200 1.300 1.300 peak 80 weight 0.10000E+01 volume 0.25400E+00 ppm1 7.183 ppm2 9.084
ASSI (
(( segid " " and resid 25 and name HD2 ))
)(
(( segid " " and resid 75 and name HA ))
)
3.200 1.300 1.300 peak 84 weight 0.10000E+01 volume 0.41900E+00 ppm1 6.900 ppm2 4.311
ASSI (
(( segid " " and resid 25 and name HD2 ))
)(
(( segid " " and resid 23 and name HG2 ))
)
2.600 0.800 0.800 peak 86 weight 0.10000E+01 volume 0.97800E+00 ppm1 6.904 ppm2 1.803
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 25 and name HD2 ))
)
3.200 1.300 1.300 peak 87 weight 0.10000E+01 volume 0.44000E+00 ppm1 5.565 ppm2 6.901
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 21 and name HA ))
)
2.700 0.900 0.900 peak 171 weight 0.10000E+01 volume 0.89000E+00 ppm1 5.501 ppm2 4.791
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 75 and name HA ))
)
3.100 1.200 1.200 peak 173 weight 0.10000E+01 volume 0.44600E+00 ppm1 5.570 ppm2 4.298
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 25 and name HB3 ))
)
2.700 0.900 0.900 peak 174 weight 0.10000E+01 volume 0.63600E+00 ppm1 5.564 ppm2 3.130
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 25 and name HB2 ))
)
2.700 0.900 0.900 peak 175 weight 0.10000E+01 volume 0.68400E+00 ppm1 5.561 ppm2 2.753
ASSI (
(( segid " " and resid 34 and name HE2 ))
)(
(( segid " " and resid 103 and name HD21))
)
2.900 1.100 1.100 peak 180 weight 0.10000E+01 volume 0.63300E+00 ppm1 6.606 ppm2 8.300
ASSI (
(( segid " " and resid 34 and name HE2 ))
)(
(( segid " " and resid 103 and name HD22))
)
2.500 0.800 0.800 peak 182 weight 0.10000E+01 volume 0.16440E+01 ppm1 6.608 ppm2 7.769
ASSI (
(( segid " " and resid 36 and name HZ3 ))
)(
(( segid " " and resid 92 and name H ))
)
3.600 1.600 1.600 peak 195 weight 0.10000E+01 volume 0.13700E+00 ppm1 6.579 ppm2 8.125
ASSI (
(( segid " " and resid 36 and name HZ3 ))
)(
(( segid " " and resid 36 and name HE3 ))
)
3.000 1.100 1.100 peak 196 weight 0.10000E+01 volume 0.80900E+00 ppm1 6.562 ppm2 7.144
ASSI (
(( segid " " and resid 36 and name HZ3 ))
)(
(( segid " " and resid 105 and name HA ))
)
3.500 1.500 1.500 peak 198 weight 0.10000E+01 volume 0.24500E+00 ppm1 6.571 ppm2 5.367
ASSI (
(( segid " " and resid 36 and name HH2 ))
)(
(( segid " " and resid 36 and name HZ2 ))
)
2.600 0.800 0.800 peak 200 weight 0.10000E+01 volume 0.17850E+01 ppm1 6.758 ppm2 7.099
ASSI (
(( segid " " and resid 36 and name HH2 ))
)(
(( segid " " and resid 36 and name HZ3 ))
)
2.700 0.900 0.900 peak 201 weight 0.10000E+01 volume 0.14060E+01 ppm1 6.758 ppm2 6.568
ASSI (
(( segid " " and resid 13 and name HH2 ))
)(
(( segid " " and resid 13 and name HE3 ))
)
3.500 1.500 1.500 peak 206 weight 0.10000E+01 volume 0.30200E+00 ppm1 6.864 ppm2 7.489
ASSI (
(( segid " " and resid 36 and name HD1 ))
)(
(( segid " " and resid 29 and name H ))
)
3.600 1.600 1.600 peak 208 weight 0.10000E+01 volume 0.14200E+00 ppm1 5.990 ppm2 8.251
ASSI (
(( segid " " and resid 36 and name HD1 ))
)(
(( segid " " and resid 36 and name HB3 ))
)
3.000 1.100 1.100 peak 212 weight 0.10000E+01 volume 0.40200E+00 ppm1 5.996 ppm2 1.959
ASSI (
(( segid " " and resid 13 and name HD1 ))
)(
(( segid " " and resid 12 and name HA ))
)
3.400 1.400 1.400 peak 215 weight 0.10000E+01 volume 0.32000E+00 ppm1 7.163 ppm2 4.689
ASSI (
(( segid " " and resid 13 and name HD1 ))
)(
(( segid " " and resid 13 and name HB3 ))
)
3.200 1.300 1.300 peak 216 weight 0.10000E+01 volume 0.26900E+00 ppm1 7.160 ppm2 3.058
ASSI (
(( segid " " and resid 92 and name HD2 ))
)(
(( segid " " and resid 36 and name HA ))
)
3.400 1.400 1.400 peak 237 weight 0.10000E+01 volume 0.29000E+00 ppm1 5.729 ppm2 5.146
ASSI (
(( segid " " and resid 36 and name HZ2 ))
)(
(( segid " " and resid 36 and name HE1 ))
)
2.400 0.700 0.700 peak 238 weight 0.10000E+01 volume 0.19030E+01 ppm1 7.094 ppm2 9.236
ASSI (
(( segid " " and resid 13 and name HZ2 ))
)(
(( segid " " and resid 13 and name HH2 ))
)
2.500 0.800 0.800 peak 241 weight 0.10000E+01 volume 0.21070E+01 ppm1 7.003 ppm2 6.857
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 91 and name H ))
)
2.300 0.700 0.700 peak 242 weight 0.10000E+01 volume 0.16670E+01 ppm1 5.671 ppm2 9.421
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 38 and name HA ))
)
2.700 0.900 0.900 peak 245 weight 0.10000E+01 volume 0.88800E+00 ppm1 5.667 ppm2 5.156
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HB3 ))
)
3.000 1.100 1.100 peak 252 weight 0.10000E+01 volume 0.32700E+00 ppm1 5.655 ppm2 2.253
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name HG ))
)
2.800 1.000 1.000 peak 254 weight 0.10000E+01 volume 0.50400E+00 ppm1 5.668 ppm2 1.549
ASSI (
(( segid " " and resid 90 and name HA ))
)(
(( segid " " and resid 90 and name H ))
)
3.000 1.100 1.100 peak 255 weight 0.10000E+01 volume 0.36100E+00 ppm1 5.659 ppm2 9.215
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 76 and name H ))
)
3.200 1.300 1.300 peak 261 weight 0.10000E+01 volume 0.24300E+00 ppm1 5.570 ppm2 9.156
ASSI (
(( segid " " and resid 25 and name HA ))
)(
(( segid " " and resid 26 and name H ))
)
2.300 0.700 0.700 peak 262 weight 0.10000E+01 volume 0.16770E+01 ppm1 5.560 ppm2 8.924
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name H ))
)
2.700 0.900 0.900 peak 264 weight 0.10000E+01 volume 0.67100E+00 ppm1 5.497 ppm2 9.082
ASSI (
(( segid " " and resid 79 and name HA ))
)(
(( segid " " and resid 79 and name HB3 ))
)
2.300 0.700 0.700 peak 268 weight 0.10000E+01 volume 0.18190E+01 ppm1 5.500 ppm2 1.590
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 39 and name H ))
)
2.300 0.700 0.700 peak 275 weight 0.10000E+01 volume 0.17250E+01 ppm1 5.150 ppm2 8.664
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 18 and name H ))
)
2.400 0.700 0.700 peak 277 weight 0.10000E+01 volume 0.13350E+01 ppm1 5.512 ppm2 8.694
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 113 and name H ))
)
2.600 0.800 0.800 peak 278 weight 0.10000E+01 volume 0.71900E+00 ppm1 5.509 ppm2 8.345
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 112 and name HA ))
)
3.300 1.400 1.400 peak 279 weight 0.10000E+01 volume 0.27600E+00 ppm1 5.516 ppm2 3.737
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 17 and name HB2 ))
)
2.600 0.800 0.800 peak 280 weight 0.10000E+01 volume 0.81600E+00 ppm1 5.514 ppm2 3.363
ASSI (
(( segid " " and resid 17 and name HA ))
)(
(( segid " " and resid 17 and name HB3 ))
)
2.400 0.700 0.700 peak 281 weight 0.10000E+01 volume 0.12120E+01 ppm1 5.510 ppm2 2.737
ASSI (
(( segid " " and resid 15 and name HA ))
)(
(( segid " " and resid 111 and name H ))
)
2.800 1.000 1.000 peak 283 weight 0.10000E+01 volume 0.52000E+00 ppm1 5.409 ppm2 9.101
ASSI (
(( segid " " and resid 15 and name HA ))
)(
(( segid " " and resid 16 and name H ))
)
2.300 0.700 0.700 peak 284 weight 0.10000E+01 volume 0.19010E+01 ppm1 5.404 ppm2 8.879
ASSI (
(( segid " " and resid 15 and name HA ))
)(
(( segid " " and resid 111 and name HB3 ))
)
2.500 0.800 0.800 peak 286 weight 0.10000E+01 volume 0.92300E+00 ppm1 5.408 ppm2 3.363
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 106 and name H ))
)
2.200 0.600 0.600 peak 288 weight 0.10000E+01 volume 0.21400E+01 ppm1 5.371 ppm2 8.462
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 92 and name H ))
)
3.100 1.200 1.200 peak 289 weight 0.10000E+01 volume 0.29400E+00 ppm1 5.364 ppm2 8.111
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 91 and name HA ))
)
2.500 0.800 0.800 peak 290 weight 0.10000E+01 volume 0.13930E+01 ppm1 5.369 ppm2 5.198
ASSI (
(( segid " " and resid 105 and name HA ))
)(
(( segid " " and resid 105 and name HB3 ))
)
2.400 0.700 0.700 peak 292 weight 0.10000E+01 volume 0.11830E+01 ppm1 5.368 ppm2 2.099
ASSI (
(( segid " " and resid 23 and name HA ))
)(
(( segid " " and resid 24 and name H ))
)
2.000 0.500 0.500 peak 294 weight 0.10000E+01 volume 0.36640E+01 ppm1 5.286 ppm2 9.272
ASSI (
(( segid " " and resid 86 and name HA ))
)(
(( segid " " and resid 86 and name HB3 ))
)
2.300 0.700 0.700 peak 299 weight 0.10000E+01 volume 0.18820E+01 ppm1 5.278 ppm2 3.116
ASSI (
(( segid " " and resid 23 and name HA ))
)(
(( segid " " and resid 23 and name HG3 ))
)
2.700 0.900 0.900 peak 302 weight 0.10000E+01 volume 0.64500E+00 ppm1 5.286 ppm2 2.053
ASSI (
(( segid " " and resid 38 and name HA ))
)(
(( segid " " and resid 38 and name HB3 ))
)
3.000 1.100 1.100 peak 314 weight 0.10000E+01 volume 0.34800E+00 ppm1 5.150 ppm2 1.200
ASSI (
(( segid " " and resid 56 and name HA ))
)(
(( segid " " and resid 76 and name HA ))
)
2.700 0.900 0.900 peak 316 weight 0.10000E+01 volume 0.98400E+00 ppm1 5.356 ppm2 4.931
ASSI (
(( segid " " and resid 56 and name HA ))
)(
(( segid " " and resid 57 and name H ))
)
2.200 0.600 0.600 peak 320 weight 0.10000E+01 volume 0.22820E+01 ppm1 5.352 ppm2 9.027
ASSI (
(( segid " " and resid 36 and name HA ))
)(
(( segid " " and resid 37 and name H ))
)
2.200 0.600 0.600 peak 321 weight 0.10000E+01 volume 0.21450E+01 ppm1 5.169 ppm2 9.103
ASSI (
(( segid " " and resid 13 and name HA ))
)(
(( segid " " and resid 109 and name H ))
)
2.800 1.000 1.000 peak 322 weight 0.10000E+01 volume 0.51100E+00 ppm1 5.140 ppm2 9.156
ASSI (
(( segid " " and resid 13 and name HA ))
)(
(( segid " " and resid 14 and name H ))
)
2.200 0.600 0.600 peak 323 weight 0.10000E+01 volume 0.20440E+01 ppm1 5.144 ppm2 8.830
ASSI (
(( segid " " and resid 91 and name HA ))
)(
(( segid " " and resid 92 and name H ))
)
2.300 0.700 0.700 peak 326 weight 0.10000E+01 volume 0.16420E+01 ppm1 5.192 ppm2 8.115
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 79 and name H ))
)
2.100 0.600 0.600 peak 327 weight 0.10000E+01 volume 0.30400E+01 ppm1 5.086 ppm2 9.056
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 54 and name HA ))
)
3.000 1.100 1.100 peak 328 weight 0.10000E+01 volume 0.54900E+00 ppm1 5.093 ppm2 4.837
ASSI (
(( segid " " and resid 78 and name HA ))
)(
(( segid " " and resid 78 and name HB ))
)
2.500 0.800 0.800 peak 334 weight 0.10000E+01 volume 0.98900E+00 ppm1 5.081 ppm2 1.829
ASSI (
(( segid " " and resid 29 and name HA ))
)(
(( segid " " and resid 30 and name HD3 ))
)
2.400 0.700 0.700 peak 337 weight 0.10000E+01 volume 0.12180E+01 ppm1 5.265 ppm2 3.605
ASSI (
(( segid " " and resid 29 and name HA ))
)(
(( segid " " and resid 30 and name HD2 ))
)
2.300 0.700 0.700 peak 339 weight 0.10000E+01 volume 0.15180E+01 ppm1 5.259 ppm2 3.169
ASSI (
(( segid " " and resid 29 and name HA ))
)(
(( segid " " and resid 29 and name HB2 ))
)
2.700 0.900 0.900 peak 340 weight 0.10000E+01 volume 0.70700E+00 ppm1 5.261 ppm2 3.019
ASSI (
(( segid " " and resid 77 and name HA ))
)(
(( segid " " and resid 78 and name H ))
)
2.200 0.600 0.600 peak 343 weight 0.10000E+01 volume 0.24310E+01 ppm1 5.031 ppm2 9.001
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 112 and name HB ))
)
2.300 0.700 0.700 peak 346 weight 0.10000E+01 volume 0.18890E+01 ppm1 3.948 ppm2 2.650
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 83 and name HB2 ))
)
2.300 0.700 0.700 peak 347 weight 0.10000E+01 volume 0.15890E+01 ppm1 3.949 ppm2 1.828
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 83 and name HG3 ))
)
2.700 0.900 0.900 peak 349 weight 0.10000E+01 volume 0.62100E+00 ppm1 3.951 ppm2 1.489
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 84 and name H ))
)
2.500 0.800 0.800 peak 351 weight 0.10000E+01 volume 0.10000E+01 ppm1 3.951 ppm2 8.992
ASSI (
(( segid " " and resid 83 and name HA ))
)(
(( segid " " and resid 83 and name H ))
)
2.800 1.000 1.000 peak 352 weight 0.10000E+01 volume 0.49800E+00 ppm1 3.954 ppm2 8.739
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 35 and name H ))
)
2.300 0.700 0.700 peak 353 weight 0.10000E+01 volume 0.15940E+01 ppm1 3.993 ppm2 8.297
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 94 and name HA ))
)
3.000 1.100 1.100 peak 357 weight 0.10000E+01 volume 0.47400E+00 ppm1 4.000 ppm2 4.745
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 34 and name HB2 ))
)
2.700 0.900 0.900 peak 358 weight 0.10000E+01 volume 0.62600E+00 ppm1 3.989 ppm2 2.080
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 34 and name HB3 ))
)
2.800 1.000 1.000 peak 359 weight 0.10000E+01 volume 0.54400E+00 ppm1 3.999 ppm2 0.598
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 94 and name HG2 ))
)
3.000 1.100 1.100 peak 360 weight 0.10000E+01 volume 0.32300E+00 ppm1 3.992 ppm2 0.293
ASSI (
(( segid " " and resid 34 and name HA ))
)(
(( segid " " and resid 94 and name HG3 ))
)
3.100 1.200 1.200 peak 361 weight 0.10000E+01 volume 0.25300E+00 ppm1 4.002 ppm2 0.125
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 35 and name HA ))
)
2.700 0.900 0.900 peak 364 weight 0.10000E+01 volume 0.66900E+00 ppm1 2.160 ppm2 4.554
ASSI (
(( segid " " and resid 53 and name HB2 ))
)(
(( segid " " and resid 53 and name HA ))
)
2.500 0.800 0.800 peak 366 weight 0.10000E+01 volume 0.11200E+01 ppm1 1.927 ppm2 4.534
ASSI (
(( segid " " and resid 53 and name HB3 ))
)(
(( segid " " and resid 53 and name H ))
)
2.600 0.800 0.800 peak 369 weight 0.10000E+01 volume 0.47900E+00 ppm1 2.170 ppm2 8.427
ASSI (
(( segid " " and resid 53 and name HB2 ))
)(
(( segid " " and resid 53 and name H ))
)
2.600 0.800 0.800 peak 370 weight 0.10000E+01 volume 0.52000E+00 ppm1 1.921 ppm2 8.428
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 35 and name H ))
)
3.100 1.200 1.200 peak 371 weight 0.10000E+01 volume 0.19500E+00 ppm1 2.162 ppm2 8.306
ASSI (
(( segid " " and resid 30 and name HG3 ))
)(
(( segid " " and resid 30 and name HD3 ))
)
2.500 0.800 0.800 peak 376 weight 0.10000E+01 volume 0.61800E+00 ppm1 1.489 ppm2 3.606
ASSI (
(( segid " " and resid 30 and name HG2 ))
)(
(( segid " " and resid 30 and name HD3 ))
)
2.500 0.800 0.800 peak 377 weight 0.10000E+01 volume 0.65200E+00 ppm1 1.302 ppm2 3.596
ASSI (
(( segid " " and resid 30 and name HG3 ))
)(
(( segid " " and resid 30 and name HD2 ))
)
2.600 0.800 0.800 peak 378 weight 0.10000E+01 volume 0.57400E+00 ppm1 1.490 ppm2 3.170
ASSI (
(( segid " " and resid 30 and name HG2 ))
)(
(( segid " " and resid 30 and name HD2 ))
)
2.600 0.800 0.800 peak 379 weight 0.10000E+01 volume 0.57400E+00 ppm1 1.298 ppm2 3.173
ASSI (
(( segid " " and resid 101 and name HD2 ))
)(
(( segid " " and resid 100 and name HA ))
)
2.600 0.800 0.800 peak 382 weight 0.10000E+01 volume 0.72200E+00 ppm1 3.796 ppm2 4.885
ASSI (
(( segid " " and resid 101 and name HD3 ))
)(
(( segid " " and resid 100 and name HA ))
)
2.500 0.800 0.800 peak 383 weight 0.10000E+01 volume 0.94300E+00 ppm1 3.877 ppm2 4.888
ASSI (
(( segid " " and resid 92 and name HB3 ))
)(
(( segid " " and resid 92 and name HB2 ))
)
2.100 0.600 0.600 peak 421 weight 0.10000E+01 volume 0.20330E+01 ppm1 -0.201 ppm2 2.215
ASSI (
(( segid " " and resid 92 and name HB3 ))
)(
(( segid " " and resid 92 and name HA ))
)
3.100 1.200 1.200 peak 428 weight 0.10000E+01 volume 0.25700E+00 ppm1 -0.208 ppm2 4.358
ASSI (
(( segid " " and resid 53 and name HG2 ))
)(
(( segid " " and resid 53 and name HA ))
)
2.700 0.900 0.900 peak 433 weight 0.10000E+01 volume 0.61700E+00 ppm1 2.211 ppm2 4.565
ASSI (
(( segid " " and resid 92 and name HB2 ))
)(
(( segid " " and resid 92 and name H ))
)
2.500 0.800 0.800 peak 437 weight 0.10000E+01 volume 0.73500E+00 ppm1 2.213 ppm2 8.120
ASSI (
(( segid " " and resid 94 and name HG3 ))
)(
(( segid " " and resid 94 and name HB3 ))
)
2.900 1.100 1.100 peak 439 weight 0.10000E+01 volume 0.27600E+00 ppm1 0.162 ppm2 0.941
ASSI (
(( segid " " and resid 94 and name HG2 ))
)(
(( segid " " and resid 94 and name HB2 ))
)
3.000 1.100 1.100 peak 440 weight 0.10000E+01 volume 0.21500E+00 ppm1 0.292 ppm2 1.175
ASSI (
(( segid " " and resid 94 and name HG3 ))
)(
(( segid " " and resid 94 and name HB2 ))
)
2.600 0.800 0.800 peak 441 weight 0.10000E+01 volume 0.48100E+00 ppm1 0.157 ppm2 1.171
ASSI (
(( segid " " and resid 94 and name HG3 ))
)(
(( segid " " and resid 94 and name HD3 ))
)
2.600 0.800 0.800 peak 444 weight 0.10000E+01 volume 0.47500E+00 ppm1 0.163 ppm2 2.687
ASSI (
(( segid " " and resid 94 and name HG2 ))
)(
(( segid " " and resid 94 and name HD2 ))
)
2.500 0.800 0.800 peak 445 weight 0.10000E+01 volume 0.64200E+00 ppm1 0.301 ppm2 2.556
ASSI (
(( segid " " and resid 94 and name HG3 ))
)(
(( segid " " and resid 94 and name HD2 ))
)
2.600 0.800 0.800 peak 446 weight 0.10000E+01 volume 0.51300E+00 ppm1 0.163 ppm2 2.563
ASSI (
(( segid " " and resid 94 and name HG2 ))
)(
(( segid " " and resid 94 and name HA ))
)
2.800 1.000 1.000 peak 447 weight 0.10000E+01 volume 0.51400E+00 ppm1 0.297 ppm2 4.738
ASSI (
(( segid " " and resid 94 and name HG3 ))
)(
(( segid " " and resid 94 and name HA ))
)
3.000 1.100 1.100 peak 448 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.153 ppm2 4.735
ASSI (
(( segid " " and resid 94 and name HG2 ))
)(
(( segid " " and resid 94 and name HE ))
)
3.000 1.100 1.100 peak 451 weight 0.10000E+01 volume 0.24300E+00 ppm1 0.297 ppm2 6.394
ASSI (
(( segid " " and resid 94 and name HG3 ))
)(
(( segid " " and resid 94 and name HE ))
)
2.900 1.100 1.100 peak 452 weight 0.10000E+01 volume 0.29500E+00 ppm1 0.151 ppm2 6.413
ASSI (
(( segid " " and resid 94 and name HG2 ))
)(
(( segid " " and resid 94 and name H ))
)
3.100 1.200 1.200 peak 453 weight 0.10000E+01 volume 0.18400E+00 ppm1 0.299 ppm2 8.178
ASSI (
(( segid " " and resid 94 and name HG3 ))
)(
(( segid " " and resid 94 and name H ))
)
3.000 1.100 1.100 peak 454 weight 0.10000E+01 volume 0.22700E+00 ppm1 0.150 ppm2 8.184
ASSI (
(( segid " " and resid 26 and name HG ))
)(
(( segid " " and resid 26 and name HA ))
)
3.000 1.100 1.100 peak 457 weight 0.10000E+01 volume 0.36700E+00 ppm1 0.433 ppm2 4.485
ASSI (
(( segid " " and resid 26 and name HG ))
)(
(( segid " " and resid 26 and name H ))
)
2.900 1.100 1.100 peak 458 weight 0.10000E+01 volume 0.29100E+00 ppm1 0.431 ppm2 8.920
ASSI (
(( segid " " and resid 26 and name HB3 ))
)(
(( segid " " and resid 26 and name HA ))
)
2.800 1.000 1.000 peak 498 weight 0.10000E+01 volume 0.52800E+00 ppm1 0.353 ppm2 4.470
ASSI (
(( segid " " and resid 26 and name HB2 ))
)(
(( segid " " and resid 74 and name HB2 ))
)
2.900 1.100 1.100 peak 500 weight 0.10000E+01 volume 0.25300E+00 ppm1 0.483 ppm2 2.752
ASSI (
(( segid " " and resid 26 and name HB2 ))
)(
(( segid " " and resid 36 and name HE1 ))
)
3.300 1.400 1.400 peak 502 weight 0.10000E+01 volume 0.15500E+00 ppm1 0.493 ppm2 9.242
ASSI (
(( segid " " and resid 26 and name HB2 ))
)(
(( segid " " and resid 26 and name H ))
)
3.000 1.100 1.100 peak 503 weight 0.10000E+01 volume 0.21200E+00 ppm1 0.489 ppm2 8.917
ASSI (
(( segid " " and resid 26 and name HB3 ))
)(
(( segid " " and resid 26 and name H ))
)
3.100 1.200 1.200 peak 504 weight 0.10000E+01 volume 0.18900E+00 ppm1 0.355 ppm2 8.909
ASSI (
(( segid " " and resid 26 and name HB3 ))
)(
(( segid " " and resid 27 and name H ))
)
3.000 1.100 1.100 peak 506 weight 0.10000E+01 volume 0.21900E+00 ppm1 0.368 ppm2 8.717
ASSI (
(( segid " " and resid 26 and name HB2 ))
)(
(( segid " " and resid 26 and name HB3 ))
)
2.000 0.500 0.500 peak 507 weight 0.10000E+01 volume 0.26420E+01 ppm1 0.489 ppm2 0.348
ASSI (
(( segid " " and resid 34 and name HB3 ))
)(
(( segid " " and resid 34 and name H ))
)
2.800 1.000 1.000 peak 510 weight 0.10000E+01 volume 0.31200E+00 ppm1 0.587 ppm2 7.297
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name H ))
)
2.600 0.800 0.800 peak 513 weight 0.10000E+01 volume 0.52500E+00 ppm1 2.070 ppm2 7.298
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 34 and name HB3 ))
)
2.000 0.500 0.500 peak 517 weight 0.10000E+01 volume 0.21930E+01 ppm1 2.072 ppm2 0.591
ASSI (
(( segid " " and resid 52 and name HB3 ))
)(
(( segid " " and resid 52 and name HB2 ))
)
2.100 0.600 0.600 peak 687 weight 0.10000E+01 volume 0.19890E+01 ppm1 0.878 ppm2 1.586
ASSI (
(( segid " " and resid 52 and name HB3 ))
)(
(( segid " " and resid 52 and name HA ))
)
2.900 1.100 1.100 peak 688 weight 0.10000E+01 volume 0.45200E+00 ppm1 0.880 ppm2 4.638
ASSI (
(( segid " " and resid 52 and name HB2 ))
)(
(( segid " " and resid 52 and name HA ))
)
3.100 1.200 1.200 peak 693 weight 0.10000E+01 volume 0.25300E+00 ppm1 1.595 ppm2 4.631
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 108 and name HB2 ))
)
2.000 0.500 0.500 peak 696 weight 0.10000E+01 volume 0.21900E+01 ppm1 1.254 ppm2 1.807
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 88 and name HB2 ))
)
2.700 0.900 0.900 peak 697 weight 0.10000E+01 volume 0.45900E+00 ppm1 1.809 ppm2 1.993
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 88 and name HB3 ))
)
3.000 1.100 1.100 peak 700 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.807 ppm2 1.008
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name HA ))
)
3.100 1.200 1.200 peak 707 weight 0.10000E+01 volume 0.26000E+00 ppm1 1.816 ppm2 4.699
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 108 and name HA ))
)
2.600 0.800 0.800 peak 708 weight 0.10000E+01 volume 0.81800E+00 ppm1 1.263 ppm2 4.733
ASSI (
(( segid " " and resid 108 and name HB3 ))
)(
(( segid " " and resid 108 and name H ))
)
2.800 1.000 1.000 peak 712 weight 0.10000E+01 volume 0.35400E+00 ppm1 1.254 ppm2 8.736
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 88 and name H ))
)
3.000 1.100 1.100 peak 713 weight 0.10000E+01 volume 0.22200E+00 ppm1 1.821 ppm2 9.222
ASSI (
(( segid " " and resid 108 and name HB2 ))
)(
(( segid " " and resid 108 and name H ))
)
2.700 0.900 0.900 peak 714 weight 0.10000E+01 volume 0.44900E+00 ppm1 1.809 ppm2 8.731
ASSI (
(( segid " " and resid 25 and name HD2 ))
)(
(( segid " " and resid 76 and name H ))
)
3.400 1.400 1.400 peak 748 weight 0.10000E+01 volume 0.20000E+00 ppm1 6.896 ppm2 9.192
ASSI (
(( segid " " and resid 23 and name HG3 ))
)(
(( segid " " and resid 25 and name HD2 ))
)
3.200 1.300 1.300 peak 750 weight 0.10000E+01 volume 0.25600E+00 ppm1 2.065 ppm2 6.869
ASSI (
(( segid " " and resid 73 and name HG12))
)(
(( segid " " and resid 73 and name HB ))
)
2.400 0.700 0.700 peak 959 weight 0.10000E+01 volume 0.78000E+00 ppm1 0.924 ppm2 1.555
ASSI (
(( segid " " and resid 73 and name HG12))
)(
(( segid " " and resid 73 and name HA ))
)
3.000 1.100 1.100 peak 961 weight 0.10000E+01 volume 0.33000E+00 ppm1 0.931 ppm2 4.830
ASSI (
(( segid " " and resid 24 and name HG13))
)(
(( segid " " and resid 24 and name H ))
)
2.800 1.000 1.000 peak 963 weight 0.10000E+01 volume 0.37100E+00 ppm1 0.915 ppm2 9.296
ASSI (
(( segid " " and resid 24 and name HG12))
)(
(( segid " " and resid 24 and name HA ))
)
2.900 1.100 1.100 peak 965 weight 0.10000E+01 volume 0.43900E+00 ppm1 1.137 ppm2 4.178
ASSI (
(( segid " " and resid 24 and name HG12))
)(
(( segid " " and resid 24 and name H ))
)
2.700 0.900 0.900 peak 967 weight 0.10000E+01 volume 0.46100E+00 ppm1 1.136 ppm2 9.297
ASSI (
(( segid " " and resid 24 and name HG12))
)(
(( segid " " and resid 24 and name HG13))
)
1.900 0.500 0.500 peak 970 weight 0.10000E+01 volume 0.36600E+01 ppm1 1.136 ppm2 0.914
ASSI (
(( segid " " and resid 73 and name HG13))
)(
(( segid " " and resid 73 and name HG12))
)
1.800 0.400 0.400 peak 976 weight 0.10000E+01 volume 0.45680E+01 ppm1 1.194 ppm2 0.931
ASSI (
(( segid " " and resid 73 and name HG13))
)(
(( segid " " and resid 73 and name H ))
)
3.100 1.200 1.200 peak 978 weight 0.10000E+01 volume 0.17800E+00 ppm1 1.194 ppm2 7.777
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 94 and name HG2 ))
)
2.700 0.900 0.900 peak 1168 weight 0.10000E+01 volume 0.40000E+00 ppm1 0.932 ppm2 0.306
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name HB3 ))
)
2.000 0.500 0.500 peak 1171 weight 0.10000E+01 volume 0.28300E+01 ppm1 1.183 ppm2 0.933
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 94 and name HD2 ))
)
2.900 1.100 1.100 peak 1176 weight 0.10000E+01 volume 0.25900E+00 ppm1 0.933 ppm2 2.560
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name HA ))
)
3.000 1.100 1.100 peak 1184 weight 0.10000E+01 volume 0.32500E+00 ppm1 1.182 ppm2 4.737
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 94 and name HA ))
)
3.000 1.100 1.100 peak 1185 weight 0.10000E+01 volume 0.37400E+00 ppm1 0.931 ppm2 4.740
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name H ))
)
2.700 0.900 0.900 peak 1188 weight 0.10000E+01 volume 0.37600E+00 ppm1 1.182 ppm2 8.204
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 94 and name H ))
)
3.000 1.100 1.100 peak 1189 weight 0.10000E+01 volume 0.20800E+00 ppm1 0.937 ppm2 8.202
ASSI (
(( segid " " and resid 94 and name HB2 ))
)(
(( segid " " and resid 94 and name HE ))
)
3.000 1.100 1.100 peak 1190 weight 0.10000E+01 volume 0.22600E+00 ppm1 1.181 ppm2 6.410
ASSI (
(( segid " " and resid 94 and name HB3 ))
)(
(( segid " " and resid 94 and name HE ))
)
3.200 1.300 1.300 peak 1191 weight 0.10000E+01 volume 0.16300E+00 ppm1 0.939 ppm2 6.419
ASSI (
(( segid " " and resid 99 and name HG13))
)(
(( segid " " and resid 99 and name HA ))
)
2.800 1.000 1.000 peak 1192 weight 0.10000E+01 volume 0.50600E+00 ppm1 1.687 ppm2 3.959
ASSI (
(( segid " " and resid 99 and name HG12))
)(
(( segid " " and resid 99 and name H ))
)
2.600 0.800 0.800 peak 1194 weight 0.10000E+01 volume 0.49400E+00 ppm1 1.028 ppm2 8.003
ASSI (
(( segid " " and resid 99 and name HG13))
)(
(( segid " " and resid 99 and name H ))
)
2.300 0.700 0.700 peak 1195 weight 0.10000E+01 volume 0.12410E+01 ppm1 1.690 ppm2 7.989
ASSI (
(( segid " " and resid 99 and name HG13))
)(
(( segid " " and resid 99 and name HG12))
)
1.800 0.400 0.400 peak 1199 weight 0.10000E+01 volume 0.45490E+01 ppm1 1.687 ppm2 1.024
ASSI (
(( segid " " and resid 51 and name HG12))
)(
(( segid " " and resid 51 and name HB ))
)
2.400 0.700 0.700 peak 1202 weight 0.10000E+01 volume 0.80700E+00 ppm1 1.068 ppm2 1.764
ASSI (
(( segid " " and resid 51 and name HG12))
)(
(( segid " " and resid 51 and name HG13))
)
1.800 0.400 0.400 peak 1203 weight 0.10000E+01 volume 0.51790E+01 ppm1 1.069 ppm2 1.470
ASSI (
(( segid " " and resid 51 and name HG12))
)(
(( segid " " and resid 52 and name H ))
)
3.300 1.400 1.400 peak 1207 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.073 ppm2 8.295
ASSI (
(( segid " " and resid 51 and name HG12))
)(
(( segid " " and resid 51 and name H ))
)
2.500 0.800 0.800 peak 1208 weight 0.10000E+01 volume 0.62500E+00 ppm1 1.068 ppm2 7.591
ASSI (
(( segid " " and resid 108 and name HG ))
)(
(( segid " " and resid 108 and name HB2 ))
)
2.400 0.700 0.700 peak 1210 weight 0.10000E+01 volume 0.84900E+00 ppm1 1.272 ppm2 1.806
ASSI (
(( segid " " and resid 110 and name HG ))
)(
(( segid " " and resid 110 and name HA ))
)
2.900 1.100 1.100 peak 1214 weight 0.10000E+01 volume 0.44900E+00 ppm1 1.373 ppm2 4.953
ASSI (
(( segid " " and resid 88 and name HG ))
)(
(( segid " " and resid 88 and name HA ))
)
3.100 1.200 1.200 peak 1215 weight 0.10000E+01 volume 0.29500E+00 ppm1 1.356 ppm2 4.449
ASSI (
(( segid " " and resid 30 and name HG2 ))
)(
(( segid " " and resid 30 and name HG3 ))
)
1.900 0.500 0.500 peak 1220 weight 0.10000E+01 volume 0.36710E+01 ppm1 1.298 ppm2 1.487
ASSI (
(( segid " " and resid 30 and name HG3 ))
)(
(( segid " " and resid 30 and name HB3 ))
)
2.700 0.900 0.900 peak 1221 weight 0.10000E+01 volume 0.41600E+00 ppm1 1.486 ppm2 2.274
ASSI (
(( segid " " and resid 30 and name HG2 ))
)(
(( segid " " and resid 30 and name HB3 ))
)
2.700 0.900 0.900 peak 1222 weight 0.10000E+01 volume 0.45800E+00 ppm1 1.296 ppm2 2.270
ASSI (
(( segid " " and resid 30 and name HG2 ))
)(
(( segid " " and resid 30 and name HB2 ))
)
2.500 0.800 0.800 peak 1223 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.296 ppm2 1.945
ASSI (
(( segid " " and resid 77 and name HG ))
)(
(( segid " " and resid 77 and name HA ))
)
3.300 1.400 1.400 peak 1232 weight 0.10000E+01 volume 0.20500E+00 ppm1 1.519 ppm2 5.029
ASSI (
(( segid " " and resid 30 and name HG2 ))
)(
(( segid " " and resid 29 and name HA ))
)
3.500 1.500 1.500 peak 1234 weight 0.10000E+01 volume 0.14200E+00 ppm1 1.308 ppm2 5.244
ASSI (
(( segid " " and resid 52 and name HG ))
)(
(( segid " " and resid 52 and name HA ))
)
3.300 1.400 1.400 peak 1237 weight 0.10000E+01 volume 0.19100E+00 ppm1 1.485 ppm2 4.626
ASSI (
(( segid " " and resid 77 and name HG ))
)(
(( segid " " and resid 77 and name H ))
)
2.300 0.700 0.700 peak 1238 weight 0.10000E+01 volume 0.10650E+01 ppm1 1.512 ppm2 8.932
ASSI (
(( segid " " and resid 38 and name HB2 ))
)(
(( segid " " and resid 38 and name HA ))
)
3.200 1.300 1.300 peak 1239 weight 0.10000E+01 volume 0.23200E+00 ppm1 1.636 ppm2 5.173
ASSI (
(( segid " " and resid 38 and name HB2 ))
)(
(( segid " " and resid 38 and name H ))
)
2.600 0.800 0.800 peak 1241 weight 0.10000E+01 volume 0.50700E+00 ppm1 1.645 ppm2 8.025
ASSI (
(( segid " " and resid 38 and name HB3 ))
)(
(( segid " " and resid 38 and name H ))
)
2.600 0.800 0.800 peak 1242 weight 0.10000E+01 volume 0.52700E+00 ppm1 1.209 ppm2 8.028
ASSI (
(( segid " " and resid 38 and name HB3 ))
)(
(( segid " " and resid 38 and name HD2 ))
)
2.500 0.800 0.800 peak 1246 weight 0.10000E+01 volume 0.72300E+00 ppm1 1.196 ppm2 2.412
ASSI (
(( segid " " and resid 38 and name HB2 ))
)(
(( segid " " and resid 38 and name HD2 ))
)
2.600 0.800 0.800 peak 1247 weight 0.10000E+01 volume 0.53700E+00 ppm1 1.641 ppm2 2.400
ASSI (
(( segid " " and resid 38 and name HB3 ))
)(
(( segid " " and resid 38 and name HG2 ))
)
2.600 0.800 0.800 peak 1248 weight 0.10000E+01 volume 0.56400E+00 ppm1 1.206 ppm2 2.003
ASSI (
(( segid " " and resid 38 and name HB3 ))
)(
(( segid " " and resid 38 and name HB2 ))
)
2.100 0.600 0.600 peak 1249 weight 0.10000E+01 volume 0.17410E+01 ppm1 1.201 ppm2 1.633
ASSI (
(( segid " " and resid 38 and name HB2 ))
)(
(( segid " " and resid 38 and name HG2 ))
)
2.600 0.800 0.800 peak 1253 weight 0.10000E+01 volume 0.52200E+00 ppm1 1.644 ppm2 1.999
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 18 and name HB ))
)
2.800 1.000 1.000 peak 1260 weight 0.10000E+01 volume 0.50500E+00 ppm1 3.258 ppm2 1.940
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 80 and name HG3 ))
)
2.600 0.800 0.800 peak 1261 weight 0.10000E+01 volume 0.72100E+00 ppm1 3.258 ppm2 2.230
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 80 and name HB2 ))
)
2.800 1.000 1.000 peak 1262 weight 0.10000E+01 volume 0.51000E+00 ppm1 3.261 ppm2 1.974
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 80 and name HG2 ))
)
3.200 1.300 1.300 peak 1263 weight 0.10000E+01 volume 0.22400E+00 ppm1 3.257 ppm2 1.807
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 18 and name H ))
)
2.800 1.000 1.000 peak 1265 weight 0.10000E+01 volume 0.52300E+00 ppm1 3.256 ppm2 8.695
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 19 and name H ))
)
2.300 0.700 0.700 peak 1266 weight 0.10000E+01 volume 0.16920E+01 ppm1 3.258 ppm2 8.371
ASSI (
(( segid " " and resid 18 and name HA ))
)(
(( segid " " and resid 19 and name HA2 ))
)
3.100 1.200 1.200 peak 1267 weight 0.10000E+01 volume 0.45900E+00 ppm1 3.257 ppm2 3.604
ASSI (
(( segid " " and resid 39 and name HA ))
)(
(( segid " " and resid 40 and name HA3 ))
)
3.400 1.400 1.400 peak 1271 weight 0.10000E+01 volume 0.25800E+00 ppm1 3.463 ppm2 3.635
ASSI (
(( segid " " and resid 39 and name HA ))
)(
(( segid " " and resid 40 and name H ))
)
2.300 0.700 0.700 peak 1274 weight 0.10000E+01 volume 0.17350E+01 ppm1 3.464 ppm2 8.404
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 96 and name HB3 ))
)
1.700 0.400 0.500 peak 1281 weight 0.10000E+01 volume 0.62740E+01 ppm1 3.157 ppm2 3.032
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 96 and name HA ))
)
2.300 0.700 0.700 peak 1287 weight 0.10000E+01 volume 0.16740E+01 ppm1 3.157 ppm2 4.367
ASSI (
(( segid " " and resid 96 and name HB3 ))
)(
(( segid " " and resid 96 and name HA ))
)
2.300 0.700 0.700 peak 1288 weight 0.10000E+01 volume 0.18280E+01 ppm1 3.040 ppm2 4.366
ASSI (
(( segid " " and resid 96 and name HB2 ))
)(
(( segid " " and resid 96 and name H ))
)
2.400 0.700 0.700 peak 1291 weight 0.10000E+01 volume 0.75300E+00 ppm1 3.159 ppm2 7.808
ASSI (
(( segid " " and resid 96 and name HB3 ))
)(
(( segid " " and resid 96 and name H ))
)
2.400 0.700 0.700 peak 1292 weight 0.10000E+01 volume 0.94500E+00 ppm1 3.036 ppm2 7.799
ASSI (
(( segid " " and resid 17 and name HB3 ))
)(
(( segid " " and resid 17 and name HB2 ))
)
1.800 0.400 0.400 peak 1295 weight 0.10000E+01 volume 0.45100E+01 ppm1 2.760 ppm2 3.352
ASSI (
(( segid " " and resid 17 and name HB2 ))
)(
(( segid " " and resid 17 and name H ))
)
3.000 1.100 1.100 peak 1299 weight 0.10000E+01 volume 0.21100E+00 ppm1 3.358 ppm2 8.832
ASSI (
(( segid " " and resid 17 and name HB3 ))
)(
(( segid " " and resid 17 and name H ))
)
2.800 1.000 1.000 peak 1300 weight 0.10000E+01 volume 0.35800E+00 ppm1 2.762 ppm2 8.836
ASSI (
(( segid " " and resid 17 and name HB3 ))
)(
(( segid " " and resid 18 and name H ))
)
2.500 0.800 0.800 peak 1301 weight 0.10000E+01 volume 0.64300E+00 ppm1 2.760 ppm2 8.705
ASSI (
(( segid " " and resid 17 and name HB2 ))
)(
(( segid " " and resid 18 and name H ))
)
2.400 0.700 0.700 peak 1302 weight 0.10000E+01 volume 0.78200E+00 ppm1 3.352 ppm2 8.691
ASSI (
(( segid " " and resid 17 and name HB3 ))
)(
(( segid " " and resid 20 and name HD2 ))
)
2.700 0.900 0.900 peak 1305 weight 0.10000E+01 volume 0.40200E+00 ppm1 2.761 ppm2 1.274
ASSI (
(( segid " " and resid 17 and name HB2 ))
)(
(( segid " " and resid 20 and name HD2 ))
)
2.900 1.100 1.100 peak 1309 weight 0.10000E+01 volume 0.28600E+00 ppm1 3.350 ppm2 1.287
ASSI (
(( segid " " and resid 13 and name HB3 ))
)(
(( segid " " and resid 13 and name H ))
)
2.200 0.600 0.600 peak 1313 weight 0.10000E+01 volume 0.15310E+01 ppm1 3.047 ppm2 8.940
ASSI (
(( segid " " and resid 25 and name HB3 ))
)(
(( segid " " and resid 25 and name H ))
)
2.300 0.700 0.700 peak 1314 weight 0.10000E+01 volume 0.98100E+00 ppm1 3.158 ppm2 8.753
ASSI (
(( segid " " and resid 13 and name HB3 ))
)(
(( segid " " and resid 13 and name HE3 ))
)
3.100 1.200 1.200 peak 1315 weight 0.10000E+01 volume 0.36900E+00 ppm1 3.049 ppm2 7.490
ASSI (
(( segid " " and resid 13 and name HB2 ))
)(
(( segid " " and resid 13 and name HE3 ))
)
3.000 1.100 1.100 peak 1316 weight 0.10000E+01 volume 0.43800E+00 ppm1 3.173 ppm2 7.479
ASSI (
(( segid " " and resid 13 and name HB2 ))
)(
(( segid " " and resid 13 and name HD1 ))
)
3.600 1.600 1.600 peak 1317 weight 0.10000E+01 volume 0.14100E+00 ppm1 3.172 ppm2 7.151
ASSI (
(( segid " " and resid 25 and name HB2 ))
)(
(( segid " " and resid 26 and name H ))
)
3.100 1.200 1.200 peak 1328 weight 0.10000E+01 volume 0.17800E+00 ppm1 2.759 ppm2 8.921
ASSI (
(( segid " " and resid 25 and name HB2 ))
)(
(( segid " " and resid 25 and name H ))
)
2.700 0.900 0.900 peak 1329 weight 0.10000E+01 volume 0.44800E+00 ppm1 2.754 ppm2 8.736
ASSI (
(( segid " " and resid 13 and name HB2 ))
)(
(( segid " " and resid 13 and name HA ))
)
2.800 1.000 1.000 peak 1330 weight 0.10000E+01 volume 0.46300E+00 ppm1 3.172 ppm2 5.142
ASSI (
(( segid " " and resid 13 and name HB3 ))
)(
(( segid " " and resid 13 and name HA ))
)
2.900 1.100 1.100 peak 1331 weight 0.10000E+01 volume 0.45500E+00 ppm1 3.048 ppm2 5.142
ASSI (
(( segid " " and resid 56 and name HB3 ))
)(
(( segid " " and resid 56 and name HA ))
)
2.700 0.900 0.900 peak 1332 weight 0.10000E+01 volume 0.63800E+00 ppm1 2.985 ppm2 5.347
ASSI (
(( segid " " and resid 56 and name HB3 ))
)(
(( segid " " and resid 56 and name HB2 ))
)
1.800 0.400 0.400 peak 1334 weight 0.10000E+01 volume 0.49960E+01 ppm1 2.988 ppm2 2.370
ASSI (
(( segid " " and resid 56 and name HB3 ))
)(
(( segid " " and resid 56 and name H ))
)
2.400 0.700 0.700 peak 1340 weight 0.10000E+01 volume 0.79800E+00 ppm1 2.987 ppm2 9.139
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 56 and name HA ))
)
2.700 0.900 0.900 peak 1343 weight 0.10000E+01 volume 0.59300E+00 ppm1 2.373 ppm2 5.351
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 56 and name H ))
)
2.600 0.800 0.800 peak 1348 weight 0.10000E+01 volume 0.48000E+00 ppm1 2.374 ppm2 9.142
ASSI (
(( segid " " and resid 56 and name HB2 ))
)(
(( segid " " and resid 57 and name H ))
)
3.000 1.100 1.100 peak 1349 weight 0.10000E+01 volume 0.20500E+00 ppm1 2.374 ppm2 9.002
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 37 and name HB ))
)
2.600 0.800 0.800 peak 1351 weight 0.10000E+01 volume 0.56900E+00 ppm1 2.158 ppm2 4.056
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 37 and name HB ))
)
2.700 0.900 0.900 peak 1352 weight 0.10000E+01 volume 0.43500E+00 ppm1 2.409 ppm2 4.049
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 35 and name HG3 ))
)
1.900 0.500 0.500 peak 1355 weight 0.10000E+01 volume 0.29870E+01 ppm1 2.159 ppm2 2.412
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 58 and name HB2 ))
)
3.400 1.400 1.400 peak 1356 weight 0.10000E+01 volume 0.11300E+00 ppm1 2.155 ppm2 2.632
ASSI (
(( segid " " and resid 35 and name HG2 ))
)(
(( segid " " and resid 35 and name HB2 ))
)
2.000 0.500 0.500 peak 1359 weight 0.10000E+01 volume 0.28310E+01 ppm1 2.157 ppm2 1.891
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 95 and name HG2 ))
)
3.200 1.300 1.300 peak 1362 weight 0.10000E+01 volume 0.14000E+00 ppm1 2.407 ppm2 1.710
ASSI (
(( segid " " and resid 35 and name HG3 ))
)(
(( segid " " and resid 35 and name H ))
)
2.800 1.000 1.000 peak 1367 weight 0.10000E+01 volume 0.36700E+00 ppm1 2.410 ppm2 8.302
ASSI (
(( segid " " and resid 36 and name HB2 ))
)(
(( segid " " and resid 36 and name HB3 ))
)
2.000 0.500 0.500 peak 1368 weight 0.10000E+01 volume 0.27560E+01 ppm1 2.584 ppm2 1.985
ASSI (
(( segid " " and resid 36 and name HB2 ))
)(
(( segid " " and resid 36 and name H ))
)
2.600 0.800 0.800 peak 1369 weight 0.10000E+01 volume 0.47400E+00 ppm1 2.590 ppm2 5.807
ASSI (
(( segid " " and resid 36 and name HB2 ))
)(
(( segid " " and resid 36 and name HA ))
)
2.800 1.000 1.000 peak 1370 weight 0.10000E+01 volume 0.46200E+00 ppm1 2.587 ppm2 5.174
ASSI (
(( segid " " and resid 36 and name HB2 ))
)(
(( segid " " and resid 37 and name H ))
)
3.100 1.200 1.200 peak 1372 weight 0.10000E+01 volume 0.19400E+00 ppm1 2.589 ppm2 9.092
ASSI (
(( segid " " and resid 36 and name HB3 ))
)(
(( segid " " and resid 36 and name HA ))
)
2.900 1.100 1.100 peak 1377 weight 0.10000E+01 volume 0.40300E+00 ppm1 1.988 ppm2 5.178
ASSI (
(( segid " " and resid 112 and name HB ))
)(
(( segid " " and resid 84 and name H ))
)
2.300 0.700 0.700 peak 1381 weight 0.10000E+01 volume 0.11440E+01 ppm1 2.657 ppm2 8.998
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 86 and name HD2 ))
)
3.100 1.200 1.200 peak 1385 weight 0.10000E+01 volume 0.33000E+00 ppm1 2.522 ppm2 6.551
ASSI (
(( segid " " and resid 86 and name HB3 ))
)(
(( segid " " and resid 87 and name H ))
)
2.800 1.000 1.000 peak 1386 weight 0.10000E+01 volume 0.34800E+00 ppm1 3.123 ppm2 9.199
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 86 and name H ))
)
2.900 1.100 1.100 peak 1389 weight 0.10000E+01 volume 0.26500E+00 ppm1 2.514 ppm2 8.777
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 86 and name HB3 ))
)
2.000 0.500 0.500 peak 1390 weight 0.10000E+01 volume 0.28660E+01 ppm1 2.521 ppm2 3.121
ASSI (
(( segid " " and resid 86 and name HB2 ))
)(
(( segid " " and resid 110 and name HB3 ))
)
3.000 1.100 1.100 peak 1395 weight 0.10000E+01 volume 0.21000E+00 ppm1 2.516 ppm2 1.151
ASSI (
(( segid " " and resid 104 and name HG3 ))
)(
(( segid " " and resid 104 and name HA ))
)
2.600 0.800 0.800 peak 1401 weight 0.10000E+01 volume 0.73400E+00 ppm1 2.498 ppm2 4.189
ASSI (
(( segid " " and resid 104 and name HG2 ))
)(
(( segid " " and resid 104 and name HA ))
)
3.000 1.100 1.100 peak 1402 weight 0.10000E+01 volume 0.36300E+00 ppm1 2.439 ppm2 4.188
ASSI (
(( segid " " and resid 104 and name HG3 ))
)(
(( segid " " and resid 36 and name HH2 ))
)
3.700 1.700 1.700 peak 1403 weight 0.10000E+01 volume 0.11700E+00 ppm1 2.504 ppm2 6.782
ASSI (
(( segid " " and resid 104 and name HG3 ))
)(
(( segid " " and resid 105 and name H ))
)
2.900 1.100 1.100 peak 1404 weight 0.10000E+01 volume 0.29500E+00 ppm1 2.498 ppm2 8.516
ASSI (
(( segid " " and resid 104 and name HG2 ))
)(
(( segid " " and resid 105 and name H ))
)
2.600 0.800 0.800 peak 1405 weight 0.10000E+01 volume 0.47100E+00 ppm1 2.435 ppm2 8.520
ASSI (
(( segid " " and resid 104 and name HG3 ))
)(
(( segid " " and resid 104 and name HB3 ))
)
2.400 0.700 0.700 peak 1408 weight 0.10000E+01 volume 0.76400E+00 ppm1 2.493 ppm2 2.039
ASSI (
(( segid " " and resid 104 and name HG2 ))
)(
(( segid " " and resid 104 and name HB3 ))
)
2.300 0.700 0.700 peak 1409 weight 0.10000E+01 volume 0.10440E+01 ppm1 2.442 ppm2 2.027
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 82 and name HD2 ))
)
2.300 0.700 0.700 peak 1428 weight 0.10000E+01 volume 0.10980E+01 ppm1 1.958 ppm2 1.703
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 82 and name HA ))
)
2.600 0.800 0.800 peak 1432 weight 0.10000E+01 volume 0.84900E+00 ppm1 1.954 ppm2 4.711
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 83 and name H ))
)
2.700 0.900 0.900 peak 1433 weight 0.10000E+01 volume 0.45700E+00 ppm1 1.954 ppm2 8.724
ASSI (
(( segid " " and resid 82 and name HB2 ))
)(
(( segid " " and resid 82 and name H ))
)
2.800 1.000 1.000 peak 1434 weight 0.10000E+01 volume 0.30700E+00 ppm1 1.959 ppm2 7.402
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 83 and name H ))
)
3.000 1.100 1.100 peak 1435 weight 0.10000E+01 volume 0.22300E+00 ppm1 1.514 ppm2 8.737
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 82 and name H ))
)
2.700 0.900 0.900 peak 1436 weight 0.10000E+01 volume 0.43600E+00 ppm1 1.512 ppm2 7.409
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 82 and name HA ))
)
2.800 1.000 1.000 peak 1437 weight 0.10000E+01 volume 0.53300E+00 ppm1 1.513 ppm2 4.710
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 51 and name HA ))
)
3.100 1.200 1.200 peak 1438 weight 0.10000E+01 volume 0.28000E+00 ppm1 1.516 ppm2 3.827
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 82 and name HB2 ))
)
1.800 0.400 0.400 peak 1439 weight 0.10000E+01 volume 0.49250E+01 ppm1 1.512 ppm2 1.955
ASSI (
(( segid " " and resid 82 and name HB3 ))
)(
(( segid " " and resid 82 and name HD3 ))
)
2.400 0.700 0.700 peak 1440 weight 0.10000E+01 volume 0.93100E+00 ppm1 1.516 ppm2 1.684
ASSI (
(( segid " " and resid 99 and name HB ))
)(
(( segid " " and resid 99 and name HA ))
)
3.000 1.100 1.100 peak 1447 weight 0.10000E+01 volume 0.32500E+00 ppm1 1.615 ppm2 3.976
ASSI (
(( segid " " and resid 99 and name HB ))
)(
(( segid " " and resid 98 and name HA3 ))
)
3.500 1.500 1.500 peak 1448 weight 0.10000E+01 volume 0.13000E+00 ppm1 1.611 ppm2 3.516
ASSI (
(( segid " " and resid 99 and name HB ))
)(
(( segid " " and resid 99 and name H ))
)
2.200 0.600 0.600 peak 1449 weight 0.10000E+01 volume 0.13130E+01 ppm1 1.611 ppm2 7.986
ASSI (
(( segid " " and resid 99 and name HB ))
)(
(( segid " " and resid 100 and name H ))
)
3.000 1.100 1.100 peak 1450 weight 0.10000E+01 volume 0.21600E+00 ppm1 1.616 ppm2 7.761
ASSI (
(( segid " " and resid 51 and name HB ))
)(
(( segid " " and resid 51 and name HA ))
)
2.800 1.000 1.000 peak 1455 weight 0.10000E+01 volume 0.51000E+00 ppm1 1.768 ppm2 3.807
ASSI (
(( segid " " and resid 51 and name HB ))
)(
(( segid " " and resid 52 and name H ))
)
2.400 0.700 0.700 peak 1456 weight 0.10000E+01 volume 0.78800E+00 ppm1 1.764 ppm2 8.292
ASSI (
(( segid " " and resid 51 and name HB ))
)(
(( segid " " and resid 51 and name H ))
)
2.300 0.700 0.700 peak 1457 weight 0.10000E+01 volume 0.11600E+01 ppm1 1.770 ppm2 7.591
ASSI (
(( segid " " and resid 23 and name HA ))
)(
(( segid " " and resid 77 and name HA ))
)
2.800 1.000 1.000 peak 1462 weight 0.10000E+01 volume 0.79600E+00 ppm1 5.286 ppm2 5.030
ASSI (
(( segid " " and resid 48 and name HB2 ))
)(
(( segid " " and resid 48 and name H ))
)
2.400 0.700 0.700 peak 1463 weight 0.10000E+01 volume 0.92800E+00 ppm1 3.643 ppm2 6.734
ASSI (
(( segid " " and resid 48 and name HB3 ))
)(
(( segid " " and resid 48 and name H ))
)
2.500 0.800 0.800 peak 1466 weight 0.10000E+01 volume 0.63700E+00 ppm1 4.068 ppm2 6.730
ASSI (
(( segid " " and resid 48 and name HB2 ))
)(
(( segid " " and resid 49 and name H ))
)
2.800 1.000 1.000 peak 1467 weight 0.10000E+01 volume 0.30200E+00 ppm1 3.643 ppm2 8.898
ASSI (
(( segid " " and resid 48 and name HB3 ))
)(
(( segid " " and resid 49 and name H ))
)
2.500 0.800 0.800 peak 1468 weight 0.10000E+01 volume 0.71700E+00 ppm1 4.071 ppm2 8.903
ASSI (
(( segid " " and resid 48 and name HB2 ))
)(
(( segid " " and resid 54 and name H ))
)
3.200 1.300 1.300 peak 1469 weight 0.10000E+01 volume 0.14000E+00 ppm1 3.638 ppm2 8.440
ASSI (
(( segid " " and resid 48 and name HB3 ))
)(
(( segid " " and resid 54 and name H ))
)
2.900 1.100 1.100 peak 1470 weight 0.10000E+01 volume 0.28800E+00 ppm1 4.075 ppm2 8.445
ASSI (
(( segid " " and resid 48 and name HB2 ))
)(
(( segid " " and resid 48 and name HB3 ))
)
2.100 0.600 0.600 peak 1473 weight 0.10000E+01 volume 0.19350E+01 ppm1 3.644 ppm2 4.062
ASSI (
(( segid " " and resid 42 and name HA ))
)(
(( segid " " and resid 43 and name H ))
)
2.200 0.600 0.600 peak 1477 weight 0.10000E+01 volume 0.23820E+01 ppm1 3.721 ppm2 8.872
ASSI (
(( segid " " and resid 42 and name HA ))
)(
(( segid " " and resid 41 and name H ))
)
3.700 1.700 1.700 peak 1478 weight 0.10000E+01 volume 0.94000E-01 ppm1 3.725 ppm2 8.594
ASSI (
(( segid " " and resid 42 and name HA ))
)(
(( segid " " and resid 44 and name H ))
)
3.100 1.200 1.200 peak 1479 weight 0.10000E+01 volume 0.30100E+00 ppm1 3.724 ppm2 8.096
ASSI (
(( segid " " and resid 42 and name HA ))
)(
(( segid " " and resid 42 and name H ))
)
2.700 0.900 0.900 peak 1480 weight 0.10000E+01 volume 0.66200E+00 ppm1 3.722 ppm2 7.788
ASSI (
(( segid " " and resid 95 and name HA ))
)(
(( segid " " and resid 95 and name HB3 ))
)
2.300 0.700 0.700 peak 1486 weight 0.10000E+01 volume 0.18580E+01 ppm1 3.834 ppm2 2.082
ASSI (
(( segid " " and resid 95 and name HA ))
)(
(( segid " " and resid 95 and name HB2 ))
)
2.500 0.800 0.800 peak 1487 weight 0.10000E+01 volume 0.93200E+00 ppm1 3.821 ppm2 1.899
ASSI (
(( segid " " and resid 95 and name HA ))
)(
(( segid " " and resid 97 and name H ))
)
3.600 1.600 1.600 peak 1493 weight 0.10000E+01 volume 0.11800E+00 ppm1 3.827 ppm2 7.053
ASSI (
(( segid " " and resid 63 and name HB2 ))
)(
(( segid " " and resid 63 and name H ))
)
2.500 0.800 0.800 peak 1495 weight 0.10000E+01 volume 0.59900E+00 ppm1 3.821 ppm2 8.392
ASSI (
(( segid " " and resid 63 and name HB3 ))
)(
(( segid " " and resid 64 and name H ))
)
3.100 1.200 1.200 peak 1498 weight 0.10000E+01 volume 0.18500E+00 ppm1 3.934 ppm2 8.522
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 101 and name HD3 ))
)
3.200 1.300 1.300 peak 1500 weight 0.10000E+01 volume 0.24800E+00 ppm1 4.236 ppm2 3.837
ASSI (
(( segid " " and resid 101 and name HA ))
)(
(( segid " " and resid 101 and name HB3 ))
)
2.300 0.700 0.700 peak 1502 weight 0.10000E+01 volume 0.16700E+01 ppm1 4.242 ppm2 2.386
ASSI (
(( segid " " and resid 31 and name HA ))
)(
(( segid " " and resid 32 and name H ))
)
3.300 1.400 1.400 peak 1505 weight 0.10000E+01 volume 0.20600E+00 ppm1 4.178 ppm2 7.814
ASSI (
(( segid " " and resid 66 and name HA ))
)(
(( segid " " and resid 66 and name HB3 ))
)
2.400 0.700 0.700 peak 1506 weight 0.10000E+01 volume 0.13520E+01 ppm1 4.378 ppm2 2.294
ASSI (
(( segid " " and resid 62 and name HA ))
)(
(( segid " " and resid 62 and name HG2 ))
)
2.900 1.100 1.100 peak 1509 weight 0.10000E+01 volume 0.40200E+00 ppm1 4.425 ppm2 2.054
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 23 and name H ))
)
2.100 0.600 0.600 peak 1514 weight 0.10000E+01 volume 0.29820E+01 ppm1 4.367 ppm2 8.739
ASSI (
(( segid " " and resid 32 and name HA ))
)(
(( segid " " and resid 32 and name HB ))
)
2.300 0.700 0.700 peak 1519 weight 0.10000E+01 volume 0.15740E+01 ppm1 4.365 ppm2 4.631
ASSI (
(( segid " " and resid 22 and name HA ))
)(
(( segid " " and resid 22 and name H ))
)
3.000 1.100 1.100 peak 1521 weight 0.10000E+01 volume 0.31700E+00 ppm1 4.360 ppm2 9.519
ASSI (
(( segid " " and resid 32 and name HA ))
)(
(( segid " " and resid 29 and name HD21))
)
3.100 1.200 1.200 peak 1522 weight 0.10000E+01 volume 0.39600E+00 ppm1 4.361 ppm2 7.824
ASSI (
(( segid " " and resid 7 and name HA ))
)(
(( segid " " and resid 7 and name HB ))
)
2.700 0.900 0.900 peak 1523 weight 0.10000E+01 volume 0.64000E+00 ppm1 4.207 ppm2 2.155
ASSI (
(( segid " " and resid 7 and name HA ))
)(
(( segid " " and resid 8 and name H ))
)
2.400 0.700 0.700 peak 1525 weight 0.10000E+01 volume 0.13930E+01 ppm1 4.205 ppm2 8.469
ASSI (
(( segid " " and resid 60 and name HA ))
)(
(( segid " " and resid 61 and name H ))
)
2.300 0.700 0.700 peak 1529 weight 0.10000E+01 volume 0.14940E+01 ppm1 4.328 ppm2 8.596
ASSI (
(( segid " " and resid 75 and name HA ))
)(
(( segid " " and resid 76 and name H ))
)
2.100 0.600 0.600 peak 1530 weight 0.10000E+01 volume 0.25510E+01 ppm1 4.297 ppm2 9.198
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 71 and name H ))
)
2.400 0.700 0.700 peak 1532 weight 0.10000E+01 volume 0.12880E+01 ppm1 4.258 ppm2 8.569
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 46 and name H ))
)
2.900 1.100 1.100 peak 1533 weight 0.10000E+01 volume 0.37600E+00 ppm1 4.301 ppm2 7.625
ASSI (
(( segid " " and resid 46 and name HA ))
)(
(( segid " " and resid 48 and name H ))
)
3.000 1.100 1.100 peak 1536 weight 0.10000E+01 volume 0.34800E+00 ppm1 4.309 ppm2 6.730
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 70 and name HB ))
)
2.500 0.800 0.800 peak 1538 weight 0.10000E+01 volume 0.93000E+00 ppm1 4.258 ppm2 2.191
ASSI (
(( segid " " and resid 70 and name HA ))
)(
(( segid " " and resid 70 and name H ))
)
3.000 1.100 1.100 peak 1546 weight 0.10000E+01 volume 0.37400E+00 ppm1 4.260 ppm2 8.026
ASSI (
(( segid " " and resid 64 and name HB2 ))
)(
(( segid " " and resid 64 and name HA ))
)
2.600 0.800 0.800 peak 1553 weight 0.10000E+01 volume 0.72200E+00 ppm1 3.989 ppm2 4.423
ASSI (
(( segid " " and resid 64 and name HB3 ))
)(
(( segid " " and resid 64 and name HA ))
)
2.600 0.800 0.800 peak 1554 weight 0.10000E+01 volume 0.82300E+00 ppm1 3.895 ppm2 4.417
ASSI (
(( segid " " and resid 64 and name HB2 ))
)(
(( segid " " and resid 64 and name H ))
)
3.100 1.200 1.200 peak 1555 weight 0.10000E+01 volume 0.17500E+00 ppm1 3.985 ppm2 8.514
ASSI (
(( segid " " and resid 64 and name HB3 ))
)(
(( segid " " and resid 64 and name H ))
)
3.400 1.400 1.400 peak 1556 weight 0.10000E+01 volume 0.11000E+00 ppm1 3.895 ppm2 8.507
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name HG12))
)
2.500 0.800 0.800 peak 1558 weight 0.10000E+01 volume 0.90400E+00 ppm1 3.963 ppm2 1.005
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 99 and name H ))
)
2.800 1.000 1.000 peak 1560 weight 0.10000E+01 volume 0.48400E+00 ppm1 3.967 ppm2 7.997
ASSI (
(( segid " " and resid 99 and name HA ))
)(
(( segid " " and resid 100 and name H ))
)
2.200 0.600 0.600 peak 1561 weight 0.10000E+01 volume 0.22600E+01 ppm1 3.965 ppm2 7.739
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 52 and name H ))
)
3.300 1.400 1.400 peak 1563 weight 0.10000E+01 volume 0.19600E+00 ppm1 3.810 ppm2 8.295
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 51 and name H ))
)
2.800 1.000 1.000 peak 1564 weight 0.10000E+01 volume 0.47400E+00 ppm1 3.808 ppm2 7.589
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 113 and name H ))
)
2.100 0.600 0.600 peak 1565 weight 0.10000E+01 volume 0.25610E+01 ppm1 3.750 ppm2 8.351
ASSI (
(( segid " " and resid 51 and name HA ))
)(
(( segid " " and resid 51 and name HG12))
)
2.600 0.800 0.800 peak 1569 weight 0.10000E+01 volume 0.74400E+00 ppm1 3.808 ppm2 1.082
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 112 and name HB ))
)
3.200 1.300 1.300 peak 1573 weight 0.10000E+01 volume 0.23800E+00 ppm1 3.744 ppm2 2.666
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 112 and name H ))
)
2.900 1.100 1.100 peak 1577 weight 0.10000E+01 volume 0.40200E+00 ppm1 3.744 ppm2 8.741
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 16 and name HB ))
)
3.000 1.100 1.100 peak 1578 weight 0.10000E+01 volume 0.34000E+00 ppm1 3.754 ppm2 3.915
ASSI (
(( segid " " and resid 112 and name HA ))
)(
(( segid " " and resid 113 and name HA ))
)
3.600 1.600 1.600 peak 1579 weight 0.10000E+01 volume 0.16900E+00 ppm1 3.750 ppm2 4.246
ASSI (
(( segid " " and resid 55 and name HA ))
)(
(( segid " " and resid 56 and name H ))
)
2.100 0.600 0.600 peak 1580 weight 0.10000E+01 volume 0.28190E+01 ppm1 4.262 ppm2 9.142
ASSI (
(( segid " " and resid 55 and name HA ))
)(
(( segid " " and resid 55 and name H ))
)
2.600 0.800 0.800 peak 1581 weight 0.10000E+01 volume 0.74700E+00 ppm1 4.267 ppm2 8.601
ASSI (
(( segid " " and resid 55 and name HA ))
)(
(( segid " " and resid 55 and name HB ))
)
2.700 0.900 0.900 peak 1582 weight 0.10000E+01 volume 0.70500E+00 ppm1 4.264 ppm2 1.927
ASSI (
(( segid " " and resid 24 and name HA ))
)(
(( segid " " and resid 24 and name H ))
)
3.000 1.100 1.100 peak 1585 weight 0.10000E+01 volume 0.31000E+00 ppm1 4.182 ppm2 9.274
ASSI (
(( segid " " and resid 24 and name HA ))
)(
(( segid " " and resid 25 and name H ))
)
2.100 0.600 0.600 peak 1586 weight 0.10000E+01 volume 0.26150E+01 ppm1 4.182 ppm2 8.740
ASSI (
(( segid " " and resid 24 and name HA ))
)(
(( segid " " and resid 24 and name HG13))
)
2.800 1.000 1.000 peak 1588 weight 0.10000E+01 volume 0.48800E+00 ppm1 4.188 ppm2 0.922
ASSI (
(( segid " " and resid 24 and name HA ))
)(
(( segid " " and resid 25 and name HB3 ))
)
3.400 1.400 1.400 peak 1593 weight 0.10000E+01 volume 0.17100E+00 ppm1 4.184 ppm2 3.172
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 49 and name HB2 ))
)
3.600 1.600 1.600 peak 1594 weight 0.10000E+01 volume 0.11900E+00 ppm1 4.012 ppm2 3.309
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 50 and name H ))
)
2.800 1.000 1.000 peak 1600 weight 0.10000E+01 volume 0.50100E+00 ppm1 4.014 ppm2 8.606
ASSI (
(( segid " " and resid 50 and name HA ))
)(
(( segid " " and resid 51 and name H ))
)
3.000 1.100 1.100 peak 1601 weight 0.10000E+01 volume 0.35600E+00 ppm1 4.015 ppm2 7.593
ASSI (
(( segid " " and resid 61 and name HA ))
)(
(( segid " " and resid 62 and name HD3 ))
)
2.300 0.700 0.700 peak 1607 weight 0.10000E+01 volume 0.16600E+01 ppm1 4.451 ppm2 3.822
ASSI (
(( segid " " and resid 61 and name HA ))
)(
(( segid " " and resid 62 and name HD2 ))
)
2.300 0.700 0.700 peak 1608 weight 0.10000E+01 volume 0.15940E+01 ppm1 4.448 ppm2 3.641
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 93 and name HB ))
)
2.700 0.900 0.900 peak 1609 weight 0.10000E+01 volume 0.61200E+00 ppm1 4.566 ppm2 3.466
ASSI (
(( segid " " and resid 14 and name HA ))
)(
(( segid " " and resid 14 and name HB ))
)
2.600 0.800 0.800 peak 1611 weight 0.10000E+01 volume 0.77800E+00 ppm1 4.561 ppm2 2.025
ASSI (
(( segid " " and resid 14 and name HA ))
)(
(( segid " " and resid 15 and name H ))
)
2.100 0.600 0.600 peak 1616 weight 0.10000E+01 volume 0.30660E+01 ppm1 4.561 ppm2 8.754
ASSI (
(( segid " " and resid 93 and name HA ))
)(
(( segid " " and resid 34 and name HD2 ))
)
3.000 1.100 1.100 peak 1617 weight 0.10000E+01 volume 0.57400E+00 ppm1 4.566 ppm2 6.329
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 37 and name H ))
)
2.700 0.900 0.900 peak 1618 weight 0.10000E+01 volume 0.66000E+00 ppm1 4.559 ppm2 9.100
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 38 and name H ))
)
2.500 0.800 0.800 peak 1619 weight 0.10000E+01 volume 0.11010E+01 ppm1 4.571 ppm2 8.011
ASSI (
(( segid " " and resid 37 and name HA ))
)(
(( segid " " and resid 37 and name HB ))
)
2.400 0.700 0.700 peak 1621 weight 0.10000E+01 volume 0.12380E+01 ppm1 4.567 ppm2 4.076
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 49 and name H ))
)
2.200 0.600 0.600 peak 1624 weight 0.10000E+01 volume 0.19040E+01 ppm1 4.576 ppm2 8.902
ASSI (
(( segid " " and resid 48 and name HA ))
)(
(( segid " " and resid 48 and name H ))
)
2.600 0.800 0.800 peak 1626 weight 0.10000E+01 volume 0.72100E+00 ppm1 4.585 ppm2 6.731
ASSI (
(( segid " " and resid 64 and name HA ))
)(
(( segid " " and resid 65 and name H ))
)
2.800 1.000 1.000 peak 1628 weight 0.10000E+01 volume 0.53900E+00 ppm1 4.432 ppm2 7.931
ASSI (
(( segid " " and resid 64 and name HA ))
)(
(( segid " " and resid 64 and name H ))
)
3.200 1.300 1.300 peak 1629 weight 0.10000E+01 volume 0.22100E+00 ppm1 4.432 ppm2 8.495
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 96 and name H ))
)
2.500 0.800 0.800 peak 1633 weight 0.10000E+01 volume 0.10920E+01 ppm1 4.367 ppm2 7.809
ASSI (
(( segid " " and resid 96 and name HA ))
)(
(( segid " " and resid 97 and name H ))
)
2.900 1.100 1.100 peak 1634 weight 0.10000E+01 volume 0.38700E+00 ppm1 4.372 ppm2 7.079
ASSI (
(( segid " " and resid 59 and name HA ))
)(
(( segid " " and resid 60 and name HD3 ))
)
2.300 0.700 0.700 peak 1637 weight 0.10000E+01 volume 0.18740E+01 ppm1 4.447 ppm2 3.415
ASSI (
(( segid " " and resid 59 and name HA ))
)(
(( segid " " and resid 60 and name HD2 ))
)
2.200 0.600 0.600 peak 1638 weight 0.10000E+01 volume 0.21440E+01 ppm1 4.449 ppm2 3.649
ASSI (
(( segid " " and resid 59 and name HA ))
)(
(( segid " " and resid 59 and name H ))
)
2.900 1.100 1.100 peak 1639 weight 0.10000E+01 volume 0.46000E+00 ppm1 4.449 ppm2 8.444
ASSI (
(( segid " " and resid 63 and name HA ))
)(
(( segid " " and resid 63 and name HB3 ))
)
2.600 0.800 0.800 peak 1640 weight 0.10000E+01 volume 0.77100E+00 ppm1 4.509 ppm2 3.950
ASSI (
(( segid " " and resid 63 and name HA ))
)(
(( segid " " and resid 63 and name HB2 ))
)
2.500 0.800 0.800 peak 1641 weight 0.10000E+01 volume 0.95500E+00 ppm1 4.511 ppm2 3.828
ASSI (
(( segid " " and resid 63 and name HA ))
)(
(( segid " " and resid 63 and name H ))
)
2.800 1.000 1.000 peak 1643 weight 0.10000E+01 volume 0.53200E+00 ppm1 4.506 ppm2 8.390
ASSI (
(( segid " " and resid 41 and name HA ))
)(
(( segid " " and resid 41 and name HB3 ))
)
2.600 0.800 0.800 peak 1644 weight 0.10000E+01 volume 0.78500E+00 ppm1 4.498 ppm2 3.471
ASSI (
(( segid " " and resid 41 and name HA ))
)(
(( segid " " and resid 42 and name H ))
)
2.900 1.100 1.100 peak 1647 weight 0.10000E+01 volume 0.44000E+00 ppm1 4.501 ppm2 7.788
ASSI (
(( segid " " and resid 58 and name HA ))
)(
(( segid " " and resid 75 and name H ))
)
3.400 1.400 1.400 peak 1655 weight 0.10000E+01 volume 0.15800E+00 ppm1 4.379 ppm2 8.849
ASSI (
(( segid " " and resid 58 and name HA ))
)(
(( segid " " and resid 58 and name H ))
)
3.200 1.300 1.300 peak 1656 weight 0.10000E+01 volume 0.21200E+00 ppm1 4.376 ppm2 9.101
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name HB2 ))
)
2.300 0.700 0.700 peak 1659 weight 0.10000E+01 volume 0.14800E+01 ppm1 4.261 ppm2 1.903
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name HB3 ))
)
2.300 0.700 0.700 peak 1660 weight 0.10000E+01 volume 0.15270E+01 ppm1 4.262 ppm2 1.467
ASSI (
(( segid " " and resid 113 and name HA ))
)(
(( segid " " and resid 113 and name H ))
)
2.800 1.000 1.000 peak 1664 weight 0.10000E+01 volume 0.55300E+00 ppm1 4.267 ppm2 8.353
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 104 and name H ))
)
2.800 1.000 1.000 peak 1665 weight 0.10000E+01 volume 0.54300E+00 ppm1 4.192 ppm2 9.231
ASSI (
(( segid " " and resid 104 and name HA ))
)(
(( segid " " and resid 105 and name H ))
)
2.100 0.600 0.600 peak 1667 weight 0.10000E+01 volume 0.25570E+01 ppm1 4.192 ppm2 8.515
ASSI (
(( segid " " and resid 102 and name HA ))
)(
(( segid " " and resid 102 and name H ))
)
2.500 0.800 0.800 peak 1669 weight 0.10000E+01 volume 0.98500E+00 ppm1 4.223 ppm2 8.859
ASSI (
(( segid " " and resid 6 and name HA ))
)(
(( segid " " and resid 7 and name H ))
)
3.000 1.100 1.100 peak 1670 weight 0.10000E+01 volume 0.32200E+00 ppm1 4.207 ppm2 8.684
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 8 and name H ))
)
2.800 1.000 1.000 peak 1685 weight 0.10000E+01 volume 0.48900E+00 ppm1 4.379 ppm2 8.470
ASSI (
(( segid " " and resid 81 and name HA ))
)(
(( segid " " and resid 53 and name H ))
)
3.100 1.200 1.200 peak 1686 weight 0.10000E+01 volume 0.27800E+00 ppm1 4.427 ppm2 8.420
ASSI (
(( segid " " and resid 8 and name HA ))
)(
(( segid " " and resid 9 and name H ))
)
2.400 0.700 0.700 peak 1687 weight 0.10000E+01 volume 0.12810E+01 ppm1 4.382 ppm2 8.286
ASSI (
(( segid " " and resid 67 and name HA ))
)(
(( segid " " and resid 68 and name H ))
)
2.500 0.800 0.800 peak 1691 weight 0.10000E+01 volume 0.10620E+01 ppm1 4.455 ppm2 8.052
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 98 and name H ))
)
2.900 1.100 1.100 peak 1692 weight 0.10000E+01 volume 0.42000E+00 ppm1 4.260 ppm2 7.396
ASSI (
(( segid " " and resid 97 and name HA ))
)(
(( segid " " and resid 97 and name H ))
)
2.600 0.800 0.800 peak 1694 weight 0.10000E+01 volume 0.85500E+00 ppm1 4.264 ppm2 7.056
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 47 and name HB3 ))
)
2.400 0.700 0.700 peak 1696 weight 0.10000E+01 volume 0.14280E+01 ppm1 4.247 ppm2 1.557
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 41 and name HB3 ))
)
3.000 1.100 1.100 peak 1699 weight 0.10000E+01 volume 0.36100E+00 ppm1 4.243 ppm2 3.449
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 48 and name H ))
)
3.100 1.200 1.200 peak 1700 weight 0.10000E+01 volume 0.25400E+00 ppm1 4.237 ppm2 6.715
ASSI (
(( segid " " and resid 47 and name HA ))
)(
(( segid " " and resid 47 and name H ))
)
2.700 0.900 0.900 peak 1702 weight 0.10000E+01 volume 0.58800E+00 ppm1 4.246 ppm2 8.850
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 93 and name H ))
)
2.200 0.600 0.600 peak 1707 weight 0.10000E+01 volume 0.20440E+01 ppm1 4.379 ppm2 8.203
ASSI (
(( segid " " and resid 92 and name HA ))
)(
(( segid " " and resid 92 and name HB2 ))
)
3.100 1.200 1.200 peak 1708 weight 0.10000E+01 volume 0.28000E+00 ppm1 4.370 ppm2 2.227
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 20 and name HD3 ))
)
3.000 1.100 1.100 peak 1713 weight 0.10000E+01 volume 0.32600E+00 ppm1 4.536 ppm2 1.445
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 20 and name HD2 ))
)
2.800 1.000 1.000 peak 1714 weight 0.10000E+01 volume 0.52400E+00 ppm1 4.547 ppm2 1.271
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 36 and name H ))
)
2.500 0.800 0.800 peak 1715 weight 0.10000E+01 volume 0.10620E+01 ppm1 4.547 ppm2 5.827
ASSI (
(( segid " " and resid 35 and name HA ))
)(
(( segid " " and resid 35 and name H ))
)
2.900 1.100 1.100 peak 1717 weight 0.10000E+01 volume 0.37800E+00 ppm1 4.558 ppm2 8.298
ASSI (
(( segid " " and resid 20 and name HA ))
)(
(( segid " " and resid 21 and name H ))
)
2.200 0.600 0.600 peak 1718 weight 0.10000E+01 volume 0.21140E+01 ppm1 4.532 ppm2 8.801
ASSI (
(( segid " " and resid 109 and name HA ))
)(
(( segid " " and resid 110 and name H ))
)
2.400 0.700 0.700 peak 1720 weight 0.10000E+01 volume 0.12900E+01 ppm1 4.516 ppm2 9.090
ASSI (
(( segid " " and resid 12 and name HG2 ))
)(
(( segid " " and resid 12 and name HG3 ))
)
1.900 0.500 0.500 peak 1741 weight 0.10000E+01 volume 0.36930E+01 ppm1 1.226 ppm2 1.440
ASSI (
(( segid " " and resid 12 and name HG2 ))
)(
(( segid " " and resid 12 and name HA ))
)
3.100 1.200 1.200 peak 1743 weight 0.10000E+01 volume 0.27100E+00 ppm1 1.223 ppm2 4.674
ASSI (
(( segid " " and resid 12 and name HG2 ))
)(
(( segid " " and resid 12 and name H ))
)
2.900 1.100 1.100 peak 1744 weight 0.10000E+01 volume 0.25200E+00 ppm1 1.224 ppm2 8.147
ASSI (
(( segid " " and resid 12 and name HG2 ))
)(
(( segid " " and resid 13 and name H ))
)
3.200 1.300 1.300 peak 1745 weight 0.10000E+01 volume 0.15800E+00 ppm1 1.228 ppm2 8.916
ASSI (
(( segid " " and resid 44 and name HG3 ))
)(
(( segid " " and resid 44 and name H ))
)
2.500 0.800 0.800 peak 1755 weight 0.10000E+01 volume 0.67400E+00 ppm1 1.444 ppm2 8.099
ASSI (
(( segid " " and resid 27 and name HG2 ))
)(
(( segid " " and resid 27 and name H ))
)
2.500 0.800 0.800 peak 1758 weight 0.10000E+01 volume 0.61900E+00 ppm1 1.459 ppm2 8.742
ASSI (
(( segid " " and resid 27 and name HG3 ))
)(
(( segid " " and resid 27 and name H ))
)
2.800 1.000 1.000 peak 1759 weight 0.10000E+01 volume 0.34600E+00 ppm1 1.571 ppm2 8.715
ASSI (
(( segid " " and resid 27 and name HG3 ))
)(
(( segid " " and resid 27 and name HB2 ))
)
2.400 0.700 0.700 peak 1760 weight 0.10000E+01 volume 0.92800E+00 ppm1 1.567 ppm2 1.892
ASSI (
(( segid " " and resid 105 and name HG3 ))
)(
(( segid " " and resid 106 and name H ))
)
2.600 0.800 0.800 peak 1764 weight 0.10000E+01 volume 0.47800E+00 ppm1 1.770 ppm2 8.489
ASSI (
(( segid " " and resid 105 and name HG3 ))
)(
(( segid " " and resid 105 and name HE ))
)
2.800 1.000 1.000 peak 1767 weight 0.10000E+01 volume 0.32000E+00 ppm1 1.767 ppm2 7.193
ASSI (
(( segid " " and resid 44 and name HG2 ))
)(
(( segid " " and resid 44 and name H ))
)
2.600 0.800 0.800 peak 1769 weight 0.10000E+01 volume 0.53500E+00 ppm1 1.322 ppm2 8.095
ASSI (
(( segid " " and resid 113 and name HG3 ))
)(
(( segid " " and resid 113 and name H ))
)
3.000 1.100 1.100 peak 1770 weight 0.10000E+01 volume 0.23100E+00 ppm1 1.377 ppm2 8.348
ASSI (
(( segid " " and resid 88 and name HB3 ))
)(
(( segid " " and resid 88 and name HB2 ))
)
2.200 0.600 0.600 peak 1773 weight 0.10000E+01 volume 0.14200E+01 ppm1 0.999 ppm2 1.990
ASSI (
(( segid " " and resid 88 and name HB3 ))
)(
(( segid " " and resid 88 and name HG ))
)
2.400 0.700 0.700 peak 1775 weight 0.10000E+01 volume 0.75100E+00 ppm1 1.002 ppm2 1.353
ASSI (
(( segid " " and resid 88 and name HB3 ))
)(
(( segid " " and resid 88 and name H ))
)
2.800 1.000 1.000 peak 1779 weight 0.10000E+01 volume 0.30900E+00 ppm1 0.997 ppm2 9.207
ASSI (
(( segid " " and resid 88 and name HB2 ))
)(
(( segid " " and resid 88 and name HG ))
)
2.500 0.800 0.800 peak 1780 weight 0.10000E+01 volume 0.67600E+00 ppm1 1.983 ppm2 1.345
ASSI (
(( segid " " and resid 88 and name HB2 ))
)(
(( segid " " and resid 88 and name HA ))
)
3.000 1.100 1.100 peak 1784 weight 0.10000E+01 volume 0.37200E+00 ppm1 1.986 ppm2 4.439
ASSI (
(( segid " " and resid 88 and name HB2 ))
)(
(( segid " " and resid 88 and name H ))
)
2.700 0.900 0.900 peak 1785 weight 0.10000E+01 volume 0.38300E+00 ppm1 1.989 ppm2 9.224
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 110 and name HA ))
)
3.000 1.100 1.100 peak 1788 weight 0.10000E+01 volume 0.34400E+00 ppm1 1.677 ppm2 4.949
ASSI (
(( segid " " and resid 110 and name HB3 ))
)(
(( segid " " and resid 110 and name HA ))
)
2.800 1.000 1.000 peak 1789 weight 0.10000E+01 volume 0.53400E+00 ppm1 1.191 ppm2 4.948
ASSI (
(( segid " " and resid 110 and name HB3 ))
)(
(( segid " " and resid 110 and name HB2 ))
)
2.000 0.500 0.500 peak 1790 weight 0.10000E+01 volume 0.23400E+01 ppm1 1.187 ppm2 1.671
ASSI (
(( segid " " and resid 110 and name HB3 ))
)(
(( segid " " and resid 110 and name HG ))
)
2.400 0.700 0.700 peak 1791 weight 0.10000E+01 volume 0.77800E+00 ppm1 1.188 ppm2 1.374
ASSI (
(( segid " " and resid 110 and name HB2 ))
)(
(( segid " " and resid 110 and name HG ))
)
2.400 0.700 0.700 peak 1792 weight 0.10000E+01 volume 0.80200E+00 ppm1 1.673 ppm2 1.372
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 90 and name HG ))
)
2.400 0.700 0.700 peak 1798 weight 0.10000E+01 volume 0.83700E+00 ppm1 1.748 ppm2 1.547
ASSI (
(( segid " " and resid 90 and name HB3 ))
)(
(( segid " " and resid 90 and name HG ))
)
2.300 0.700 0.700 peak 1799 weight 0.10000E+01 volume 0.96800E+00 ppm1 2.263 ppm2 1.544
ASSI (
(( segid " " and resid 90 and name HB3 ))
)(
(( segid " " and resid 90 and name HB2 ))
)
2.200 0.600 0.600 peak 1803 weight 0.10000E+01 volume 0.15730E+01 ppm1 2.261 ppm2 1.753
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 106 and name HB3 ))
)
2.700 0.900 0.900 peak 1805 weight 0.10000E+01 volume 0.41100E+00 ppm1 1.753 ppm2 2.563
ASSI (
(( segid " " and resid 90 and name HB3 ))
)(
(( segid " " and resid 106 and name HB3 ))
)
2.600 0.800 0.800 peak 1806 weight 0.10000E+01 volume 0.46900E+00 ppm1 2.262 ppm2 2.549
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 90 and name HA ))
)
3.000 1.100 1.100 peak 1809 weight 0.10000E+01 volume 0.33800E+00 ppm1 1.753 ppm2 5.665
ASSI (
(( segid " " and resid 90 and name HB3 ))
)(
(( segid " " and resid 36 and name HE3 ))
)
2.900 1.100 1.100 peak 1810 weight 0.10000E+01 volume 0.50800E+00 ppm1 2.263 ppm2 7.171
ASSI (
(( segid " " and resid 90 and name HB3 ))
)(
(( segid " " and resid 91 and name H ))
)
3.200 1.300 1.300 peak 1812 weight 0.10000E+01 volume 0.16300E+00 ppm1 2.255 ppm2 9.398
ASSI (
(( segid " " and resid 90 and name HB3 ))
)(
(( segid " " and resid 90 and name H ))
)
2.800 1.000 1.000 peak 1813 weight 0.10000E+01 volume 0.35500E+00 ppm1 2.258 ppm2 9.198
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 91 and name H ))
)
3.000 1.100 1.100 peak 1814 weight 0.10000E+01 volume 0.24400E+00 ppm1 1.754 ppm2 9.405
ASSI (
(( segid " " and resid 90 and name HB2 ))
)(
(( segid " " and resid 90 and name H ))
)
2.900 1.100 1.100 peak 1815 weight 0.10000E+01 volume 0.27700E+00 ppm1 1.752 ppm2 9.199
ASSI (
(( segid " " and resid 38 and name HD2 ))
)(
(( segid " " and resid 38 and name HG2 ))
)
2.700 0.900 0.900 peak 1818 weight 0.10000E+01 volume 0.43400E+00 ppm1 2.414 ppm2 1.762
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 38 and name HG2 ))
)
2.700 0.900 0.900 peak 1819 weight 0.10000E+01 volume 0.45400E+00 ppm1 2.351 ppm2 1.756
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 38 and name HB3 ))
)
3.100 1.200 1.200 peak 1824 weight 0.10000E+01 volume 0.17400E+00 ppm1 2.344 ppm2 1.204
ASSI (
(( segid " " and resid 38 and name HD2 ))
)(
(( segid " " and resid 38 and name HE ))
)
2.700 0.900 0.900 peak 1832 weight 0.10000E+01 volume 0.43100E+00 ppm1 2.422 ppm2 7.431
ASSI (
(( segid " " and resid 38 and name HD3 ))
)(
(( segid " " and resid 38 and name HE ))
)
2.700 0.900 0.900 peak 1833 weight 0.10000E+01 volume 0.39600E+00 ppm1 2.367 ppm2 7.422
ASSI (
(( segid " " and resid 94 and name HD3 ))
)(
(( segid " " and resid 94 and name HB2 ))
)
2.800 1.000 1.000 peak 1838 weight 0.10000E+01 volume 0.32200E+00 ppm1 2.689 ppm2 1.167
ASSI (
(( segid " " and resid 94 and name HD2 ))
)(
(( segid " " and resid 94 and name HB2 ))
)
2.800 1.000 1.000 peak 1839 weight 0.10000E+01 volume 0.31500E+00 ppm1 2.574 ppm2 1.175
ASSI (
(( segid " " and resid 94 and name HD3 ))
)(
(( segid " " and resid 94 and name HB3 ))
)
2.700 0.900 0.900 peak 1840 weight 0.10000E+01 volume 0.46400E+00 ppm1 2.688 ppm2 0.934
ASSI (
(( segid " " and resid 94 and name HD3 ))
)(
(( segid " " and resid 94 and name HG2 ))
)
2.600 0.800 0.800 peak 1842 weight 0.10000E+01 volume 0.50400E+00 ppm1 2.691 ppm2 0.297
ASSI (
(( segid " " and resid 94 and name HD3 ))
)(
(( segid " " and resid 94 and name HE ))
)
2.700 0.900 0.900 peak 1846 weight 0.10000E+01 volume 0.44800E+00 ppm1 2.690 ppm2 6.398
ASSI (
(( segid " " and resid 94 and name HD2 ))
)(
(( segid " " and resid 94 and name HE ))
)
2.600 0.800 0.800 peak 1852 weight 0.10000E+01 volume 0.51100E+00 ppm1 2.574 ppm2 6.399
ASSI (
(( segid " " and resid 11 and name HB3 ))
)(
(( segid " " and resid 11 and name HA ))
)
2.800 1.000 1.000 peak 1854 weight 0.10000E+01 volume 0.53500E+00 ppm1 2.439 ppm2 4.926
ASSI (
(( segid " " and resid 11 and name HB3 ))
)(
(( segid " " and resid 109 and name HD2 ))
)
3.300 1.400 1.400 peak 1855 weight 0.10000E+01 volume 0.21100E+00 ppm1 2.439 ppm2 5.999
ASSI (
(( segid " " and resid 11 and name HB3 ))
)(
(( segid " " and resid 12 and name H ))
)
3.000 1.100 1.100 peak 1861 weight 0.10000E+01 volume 0.22100E+00 ppm1 2.438 ppm2 8.146
ASSI (
(( segid " " and resid 106 and name HB3 ))
)(
(( segid " " and resid 106 and name H ))
)
3.000 1.100 1.100 peak 1863 weight 0.10000E+01 volume 0.24300E+00 ppm1 2.543 ppm2 8.467
ASSI (
(( segid " " and resid 106 and name HB2 ))
)(
(( segid " " and resid 106 and name HA ))
)
3.000 1.100 1.100 peak 1869 weight 0.10000E+01 volume 0.33000E+00 ppm1 2.674 ppm2 4.700
ASSI (
(( segid " " and resid 49 and name HB2 ))
)(
(( segid " " and resid 50 and name H ))
)
2.300 0.700 0.700 peak 1882 weight 0.10000E+01 volume 0.11490E+01 ppm1 3.308 ppm2 8.600
ASSI (
(( segid " " and resid 49 and name HB3 ))
)(
(( segid " " and resid 50 and name H ))
)
2.400 0.700 0.700 peak 1883 weight 0.10000E+01 volume 0.86600E+00 ppm1 2.872 ppm2 8.603
ASSI (
(( segid " " and resid 49 and name HB3 ))
)(
(( segid " " and resid 51 and name H ))
)
3.500 1.500 1.500 peak 1887 weight 0.10000E+01 volume 0.94000E-01 ppm1 2.850 ppm2 7.605
ASSI (
(( segid " " and resid 49 and name HB2 ))
)(
(( segid " " and resid 51 and name H ))
)
3.100 1.200 1.200 peak 1888 weight 0.10000E+01 volume 0.19300E+00 ppm1 3.313 ppm2 7.586
ASSI (
(( segid " " and resid 49 and name HB3 ))
)(
(( segid " " and resid 49 and name HA ))
)
2.700 0.900 0.900 peak 1889 weight 0.10000E+01 volume 0.62100E+00 ppm1 2.865 ppm2 4.720
ASSI (
(( segid " " and resid 49 and name HB2 ))
)(
(( segid " " and resid 49 and name HA ))
)
2.700 0.900 0.900 peak 1890 weight 0.10000E+01 volume 0.61100E+00 ppm1 3.304 ppm2 4.720
ASSI (
(( segid " " and resid 49 and name HB3 ))
)(
(( segid " " and resid 49 and name HB2 ))
)
2.100 0.600 0.600 peak 1894 weight 0.10000E+01 volume 0.18020E+01 ppm1 2.871 ppm2 3.305
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 53 and name HB3 ))
)
2.800 1.000 1.000 peak 1916 weight 0.10000E+01 volume 0.36100E+00 ppm1 3.093 ppm2 2.173
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 81 and name HB2 ))
)
2.500 0.800 0.800 peak 1919 weight 0.10000E+01 volume 0.74400E+00 ppm1 3.096 ppm2 1.702
ASSI (
(( segid " " and resid 81 and name HD2 ))
)(
(( segid " " and resid 81 and name HB2 ))
)
2.400 0.700 0.700 peak 1920 weight 0.10000E+01 volume 0.82500E+00 ppm1 3.015 ppm2 1.714
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 81 and name HA ))
)
3.100 1.200 1.200 peak 1925 weight 0.10000E+01 volume 0.29500E+00 ppm1 3.093 ppm2 4.419
ASSI (
(( segid " " and resid 81 and name HD2 ))
)(
(( segid " " and resid 81 and name HA ))
)
3.300 1.400 1.400 peak 1926 weight 0.10000E+01 volume 0.18300E+00 ppm1 3.008 ppm2 4.419
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 50 and name HA ))
)
3.100 1.200 1.200 peak 1927 weight 0.10000E+01 volume 0.26600E+00 ppm1 3.098 ppm2 4.027
ASSI (
(( segid " " and resid 81 and name HD2 ))
)(
(( segid " " and resid 50 and name HA ))
)
3.300 1.400 1.400 peak 1928 weight 0.10000E+01 volume 0.20700E+00 ppm1 3.019 ppm2 4.024
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 81 and name HE ))
)
2.700 0.900 0.900 peak 1929 weight 0.10000E+01 volume 0.39700E+00 ppm1 3.096 ppm2 7.257
ASSI (
(( segid " " and resid 81 and name HD2 ))
)(
(( segid " " and resid 81 and name HE ))
)
3.100 1.200 1.200 peak 1930 weight 0.10000E+01 volume 0.18200E+00 ppm1 3.013 ppm2 7.251
ASSI (
(( segid " " and resid 81 and name HD3 ))
)(
(( segid " " and resid 49 and name H ))
)
3.200 1.300 1.300 peak 1931 weight 0.10000E+01 volume 0.15000E+00 ppm1 3.099 ppm2 8.936
ASSI (
(( segid " " and resid 58 and name HB2 ))
)(
(( segid " " and resid 58 and name HA ))
)
2.400 0.700 0.700 peak 1935 weight 0.10000E+01 volume 0.12530E+01 ppm1 2.601 ppm2 4.367
ASSI (
(( segid " " and resid 58 and name HB2 ))
)(
(( segid " " and resid 58 and name HB3 ))
)
2.000 0.500 0.500 peak 1938 weight 0.10000E+01 volume 0.22490E+01 ppm1 2.597 ppm2 2.441
ASSI (
(( segid " " and resid 74 and name HB2 ))
)(
(( segid " " and resid 74 and name HB3 ))
)
2.000 0.500 0.500 peak 1939 weight 0.10000E+01 volume 0.23450E+01 ppm1 2.758 ppm2 2.420
ASSI (
(( segid " " and resid 74 and name HB2 ))
)(
(( segid " " and resid 26 and name HB3 ))
)
3.000 1.100 1.100 peak 1942 weight 0.10000E+01 volume 0.20900E+00 ppm1 2.757 ppm2 0.317
ASSI (
(( segid " " and resid 58 and name HB2 ))
)(
(( segid " " and resid 58 and name H ))
)
2.500 0.800 0.800 peak 1947 weight 0.10000E+01 volume 0.71000E+00 ppm1 2.595 ppm2 9.081
ASSI (
(( segid " " and resid 58 and name HB3 ))
)(
(( segid " " and resid 58 and name H ))
)
2.500 0.800 0.800 peak 1948 weight 0.10000E+01 volume 0.64800E+00 ppm1 2.443 ppm2 9.087
ASSI (
(( segid " " and resid 74 and name HB2 ))
)(
(( segid " " and resid 74 and name H ))
)
2.800 1.000 1.000 peak 1949 weight 0.10000E+01 volume 0.37100E+00 ppm1 2.760 ppm2 9.424
ASSI (
(( segid " " and resid 74 and name HB3 ))
)(
(( segid " " and resid 74 and name H ))
)
2.900 1.100 1.100 peak 1950 weight 0.10000E+01 volume 0.29100E+00 ppm1 2.425 ppm2 9.428
ASSI (
(( segid " " and resid 74 and name HB2 ))
)(
(( segid " " and resid 26 and name H ))
)
2.900 1.100 1.100 peak 1951 weight 0.10000E+01 volume 0.24700E+00 ppm1 2.753 ppm2 8.911
ASSI (
(( segid " " and resid 10 and name HB2 ))
)(
(( segid " " and resid 10 and name HB3 ))
)
1.800 0.400 0.400 peak 1952 weight 0.10000E+01 volume 0.50740E+01 ppm1 2.999 ppm2 2.839
ASSI (
(( segid " " and resid 10 and name HB2 ))
)(
(( segid " " and resid 106 and name HB2 ))
)
2.900 1.100 1.100 peak 1954 weight 0.10000E+01 volume 0.27100E+00 ppm1 2.999 ppm2 2.676
ASSI (
(( segid " " and resid 10 and name HB3 ))
)(
(( segid " " and resid 10 and name HD21))
)
2.700 0.900 0.900 peak 1960 weight 0.10000E+01 volume 0.57800E+00 ppm1 2.851 ppm2 7.669
ASSI (
(( segid " " and resid 10 and name HB2 ))
)(
(( segid " " and resid 10 and name HD21))
)
2.500 0.800 0.800 peak 1961 weight 0.10000E+01 volume 0.80200E+00 ppm1 2.999 ppm2 7.672
ASSI (
(( segid " " and resid 10 and name HB3 ))
)(
(( segid " " and resid 10 and name HD22))
)
3.100 1.200 1.200 peak 1963 weight 0.10000E+01 volume 0.24700E+00 ppm1 2.846 ppm2 6.935
ASSI (
(( segid " " and resid 41 and name HB2 ))
)(
(( segid " " and resid 41 and name HB3 ))
)
2.000 0.500 0.500 peak 1968 weight 0.10000E+01 volume 0.25930E+01 ppm1 2.971 ppm2 3.470
ASSI (
(( segid " " and resid 103 and name HB3 ))
)(
(( segid " " and resid 103 and name HB2 ))
)
2.000 0.500 0.500 peak 1969 weight 0.10000E+01 volume 0.28180E+01 ppm1 3.074 ppm2 2.585
ASSI (
(( segid " " and resid 41 and name HB2 ))
)(
(( segid " " and resid 38 and name HB2 ))
)
2.500 0.800 0.800 peak 1975 weight 0.10000E+01 volume 0.66300E+00 ppm1 2.970 ppm2 1.642
ASSI (
(( segid " " and resid 41 and name HB2 ))
)(
(( segid " " and resid 41 and name HA ))
)
2.600 0.800 0.800 peak 1985 weight 0.10000E+01 volume 0.74200E+00 ppm1 2.969 ppm2 4.500
ASSI (
(( segid " " and resid 103 and name HB3 ))
)(
(( segid " " and resid 103 and name HA ))
)
2.600 0.800 0.800 peak 1988 weight 0.10000E+01 volume 0.79700E+00 ppm1 3.069 ppm2 4.852
ASSI (
(( segid " " and resid 41 and name HB2 ))
)(
(( segid " " and resid 41 and name H ))
)
2.600 0.800 0.800 peak 1996 weight 0.10000E+01 volume 0.52800E+00 ppm1 2.965 ppm2 8.634
ASSI (
(( segid " " and resid 41 and name HB3 ))
)(
(( segid " " and resid 41 and name H ))
)
2.800 1.000 1.000 peak 1997 weight 0.10000E+01 volume 0.31500E+00 ppm1 3.477 ppm2 8.619
ASSI (
(( segid " " and resid 103 and name HB3 ))
)(
(( segid " " and resid 104 and name H ))
)
3.000 1.100 1.100 peak 1998 weight 0.10000E+01 volume 0.22700E+00 ppm1 3.069 ppm2 9.228
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 104 and name H ))
)
3.000 1.100 1.100 peak 1999 weight 0.10000E+01 volume 0.21000E+00 ppm1 2.575 ppm2 9.223
ASSI (
(( segid " " and resid 103 and name HB2 ))
)(
(( segid " " and resid 103 and name HA ))
)
2.800 1.000 1.000 peak 2001 weight 0.10000E+01 volume 0.56400E+00 ppm1 2.584 ppm2 4.842
ASSI (
(( segid " " and resid 45 and name HB2 ))
)(
(( segid " " and resid 46 and name H ))
)
2.700 0.900 0.900 peak 2011 weight 0.10000E+01 volume 0.40200E+00 ppm1 2.792 ppm2 7.628
ASSI (
(( segid " " and resid 45 and name HB3 ))
)(
(( segid " " and resid 46 and name H ))
)
2.700 0.900 0.900 peak 2012 weight 0.10000E+01 volume 0.40500E+00 ppm1 2.727 ppm2 7.638
ASSI (
(( segid " " and resid 45 and name HB2 ))
)(
(( segid " " and resid 45 and name H ))
)
2.500 0.800 0.800 peak 2013 weight 0.10000E+01 volume 0.68900E+00 ppm1 2.794 ppm2 8.523
ASSI (
(( segid " " and resid 9 and name HB3 ))
)(
(( segid " " and resid 9 and name HA ))
)
2.600 0.800 0.800 peak 2018 weight 0.10000E+01 volume 0.74200E+00 ppm1 2.677 ppm2 4.710
ASSI (
(( segid " " and resid 9 and name HB2 ))
)(
(( segid " " and resid 9 and name H ))
)
2.500 0.800 0.800 peak 2020 weight 0.10000E+01 volume 0.59100E+00 ppm1 2.782 ppm2 8.280
ASSI (
(( segid " " and resid 9 and name HB3 ))
)(
(( segid " " and resid 9 and name H ))
)
2.400 0.700 0.700 peak 2021 weight 0.10000E+01 volume 0.76200E+00 ppm1 2.682 ppm2 8.286
ASSI (
(( segid " " and resid 47 and name HB2 ))
)(
(( segid " " and resid 47 and name HA ))
)
2.700 0.900 0.900 peak 2031 weight 0.10000E+01 volume 0.65300E+00 ppm1 1.073 ppm2 4.252
ASSI (
(( segid " " and resid 47 and name HB3 ))
)(
(( segid " " and resid 38 and name HD3 ))
)
2.900 1.100 1.100 peak 2032 weight 0.10000E+01 volume 0.28100E+00 ppm1 1.558 ppm2 2.376
ASSI (
(( segid " " and resid 47 and name HB2 ))
)(
(( segid " " and resid 47 and name HB3 ))
)
1.900 0.500 0.500 peak 2034 weight 0.10000E+01 volume 0.29420E+01 ppm1 1.076 ppm2 1.559
ASSI (
(( segid " " and resid 47 and name HB3 ))
)(
(( segid " " and resid 47 and name H ))
)
2.800 1.000 1.000 peak 2042 weight 0.10000E+01 volume 0.35300E+00 ppm1 1.559 ppm2 8.858
ASSI (
(( segid " " and resid 47 and name HB2 ))
)(
(( segid " " and resid 47 and name H ))
)
3.000 1.100 1.100 peak 2043 weight 0.10000E+01 volume 0.24100E+00 ppm1 1.067 ppm2 8.851
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 24 and name HG12))
)
2.400 0.700 0.700 peak 2044 weight 0.10000E+01 volume 0.80600E+00 ppm1 1.365 ppm2 1.136
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 24 and name HG13))
)
2.500 0.800 0.800 peak 2045 weight 0.10000E+01 volume 0.69400E+00 ppm1 1.368 ppm2 0.914
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 76 and name HB ))
)
2.100 0.600 0.600 peak 2049 weight 0.10000E+01 volume 0.16570E+01 ppm1 1.367 ppm2 1.726
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 24 and name HA ))
)
2.800 1.000 1.000 peak 2050 weight 0.10000E+01 volume 0.46800E+00 ppm1 1.363 ppm2 4.182
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 23 and name HA ))
)
3.200 1.300 1.300 peak 2051 weight 0.10000E+01 volume 0.21100E+00 ppm1 1.361 ppm2 5.302
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 24 and name H ))
)
2.500 0.800 0.800 peak 2052 weight 0.10000E+01 volume 0.70000E+00 ppm1 1.363 ppm2 9.293
ASSI (
(( segid " " and resid 24 and name HB ))
)(
(( segid " " and resid 76 and name H ))
)
3.000 1.100 1.100 peak 2053 weight 0.10000E+01 volume 0.21300E+00 ppm1 1.365 ppm2 9.183
ASSI (
(( segid " " and resid 77 and name HB3 ))
)(
(( segid " " and resid 55 and name HB ))
)
2.500 0.800 0.800 peak 2060 weight 0.10000E+01 volume 0.71500E+00 ppm1 1.189 ppm2 1.908
ASSI (
(( segid " " and resid 77 and name HB3 ))
)(
(( segid " " and resid 77 and name HG ))
)
2.400 0.700 0.700 peak 2062 weight 0.10000E+01 volume 0.74600E+00 ppm1 1.197 ppm2 1.512
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 55 and name HB ))
)
2.400 0.700 0.700 peak 2064 weight 0.10000E+01 volume 0.86700E+00 ppm1 1.714 ppm2 1.910
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 77 and name HA ))
)
3.000 1.100 1.100 peak 2065 weight 0.10000E+01 volume 0.35000E+00 ppm1 1.714 ppm2 5.030
ASSI (
(( segid " " and resid 77 and name HB3 ))
)(
(( segid " " and resid 77 and name HA ))
)
2.600 0.800 0.800 peak 2067 weight 0.10000E+01 volume 0.76400E+00 ppm1 1.197 ppm2 5.038
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 77 and name H ))
)
2.700 0.900 0.900 peak 2068 weight 0.10000E+01 volume 0.40300E+00 ppm1 1.715 ppm2 8.951
ASSI (
(( segid " " and resid 77 and name HB2 ))
)(
(( segid " " and resid 55 and name H ))
)
3.100 1.200 1.200 peak 2069 weight 0.10000E+01 volume 0.17900E+00 ppm1 1.716 ppm2 8.608
ASSI (
(( segid " " and resid 77 and name HB3 ))
)(
(( segid " " and resid 77 and name H ))
)
2.700 0.900 0.900 peak 2070 weight 0.10000E+01 volume 0.39900E+00 ppm1 1.195 ppm2 8.954
ASSI (
(( segid " " and resid 77 and name HB3 ))
)(
(( segid " " and resid 55 and name H ))
)
3.300 1.400 1.400 peak 2071 weight 0.10000E+01 volume 0.12900E+00 ppm1 1.183 ppm2 8.615
ASSI (
(( segid " " and resid 73 and name HB ))
)(
(( segid " " and resid 73 and name H ))
)
2.700 0.900 0.900 peak 2072 weight 0.10000E+01 volume 0.39400E+00 ppm1 1.574 ppm2 7.763
ASSI (
(( segid " " and resid 73 and name HB ))
)(
(( segid " " and resid 74 and name H ))
)
2.600 0.800 0.800 peak 2073 weight 0.10000E+01 volume 0.56300E+00 ppm1 1.580 ppm2 9.422
ASSI (
(( segid " " and resid 73 and name HB ))
)(
(( segid " " and resid 73 and name HG13))
)
2.300 0.700 0.700 peak 2074 weight 0.10000E+01 volume 0.10670E+01 ppm1 1.575 ppm2 1.191
ASSI (
(( segid " " and resid 73 and name HB ))
)(
(( segid " " and resid 73 and name HA ))
)
2.600 0.800 0.800 peak 2075 weight 0.10000E+01 volume 0.89700E+00 ppm1 1.577 ppm2 4.839
ASSI (
(( segid " " and resid 79 and name HB2 ))
)(
(( segid " " and resid 53 and name HB3 ))
)
2.500 0.800 0.800 peak 2081 weight 0.10000E+01 volume 0.59500E+00 ppm1 1.638 ppm2 2.170
ASSI (
(( segid " " and resid 79 and name HB3 ))
)(
(( segid " " and resid 53 and name HB3 ))
)
2.600 0.800 0.800 peak 2082 weight 0.10000E+01 volume 0.56900E+00 ppm1 1.550 ppm2 2.172
ASSI (
(( segid " " and resid 79 and name HB2 ))
)(
(( segid " " and resid 53 and name HB2 ))
)
2.500 0.800 0.800 peak 2083 weight 0.10000E+01 volume 0.60100E+00 ppm1 1.639 ppm2 1.951
ASSI (
(( segid " " and resid 79 and name HB2 ))
)(
(( segid " " and resid 79 and name HA ))
)
2.800 1.000 1.000 peak 2086 weight 0.10000E+01 volume 0.50000E+00 ppm1 1.631 ppm2 5.489
ASSI (
(( segid " " and resid 79 and name HB2 ))
)(
(( segid " " and resid 79 and name H ))
)
2.600 0.800 0.800 peak 2088 weight 0.10000E+01 volume 0.50700E+00 ppm1 1.636 ppm2 9.077
ASSI (
(( segid " " and resid 79 and name HB3 ))
)(
(( segid " " and resid 79 and name H ))
)
2.800 1.000 1.000 peak 2089 weight 0.10000E+01 volume 0.33700E+00 ppm1 1.553 ppm2 9.078
ASSI (
(( segid " " and resid 57 and name HB3 ))
)(
(( segid " " and resid 57 and name H ))
)
2.400 0.700 0.700 peak 2090 weight 0.10000E+01 volume 0.95100E+00 ppm1 1.697 ppm2 9.047
ASSI (
(( segid " " and resid 57 and name HB2 ))
)(
(( segid " " and resid 57 and name HA ))
)
2.400 0.700 0.700 peak 2094 weight 0.10000E+01 volume 0.11900E+01 ppm1 1.796 ppm2 4.871
ASSI (
(( segid " " and resid 23 and name HG2 ))
)(
(( segid " " and resid 23 and name HA ))
)
2.800 1.000 1.000 peak 2096 weight 0.10000E+01 volume 0.47400E+00 ppm1 1.797 ppm2 5.293
ASSI (
(( segid " " and resid 23 and name HG2 ))
)(
(( segid " " and resid 24 and name H ))
)
3.100 1.200 1.200 peak 2099 weight 0.10000E+01 volume 0.19300E+00 ppm1 1.796 ppm2 9.276
ASSI (
(( segid " " and resid 23 and name HG3 ))
)(
(( segid " " and resid 24 and name H ))
)
2.800 1.000 1.000 peak 2101 weight 0.10000E+01 volume 0.35700E+00 ppm1 2.066 ppm2 9.280
ASSI (
(( segid " " and resid 91 and name HB ))
)(
(( segid " " and resid 91 and name HA ))
)
2.600 0.800 0.800 peak 2107 weight 0.10000E+01 volume 0.72400E+00 ppm1 1.797 ppm2 5.195
ASSI (
(( segid " " and resid 91 and name HB ))
)(
(( segid " " and resid 91 and name H ))
)
2.800 1.000 1.000 peak 2110 weight 0.10000E+01 volume 0.33000E+00 ppm1 1.795 ppm2 9.423
ASSI (
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 35 and name HA ))
)
2.600 0.800 0.800 peak 2116 weight 0.10000E+01 volume 0.75800E+00 ppm1 1.888 ppm2 4.544
ASSI (
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 36 and name H ))
)
2.700 0.900 0.900 peak 2119 weight 0.10000E+01 volume 0.40100E+00 ppm1 1.891 ppm2 5.826
ASSI (
(( segid " " and resid 55 and name HB ))
)(
(( segid " " and resid 55 and name H ))
)
2.400 0.700 0.700 peak 2120 weight 0.10000E+01 volume 0.77100E+00 ppm1 1.919 ppm2 8.607
ASSI (
(( segid " " and resid 35 and name HB3 ))
)(
(( segid " " and resid 35 and name HA ))
)
2.600 0.800 0.800 peak 2126 weight 0.10000E+01 volume 0.80500E+00 ppm1 2.161 ppm2 4.543
ASSI (
(( segid " " and resid 35 and name HB2 ))
)(
(( segid " " and resid 35 and name HG3 ))
)
2.400 0.700 0.700 peak 2127 weight 0.10000E+01 volume 0.76300E+00 ppm1 1.892 ppm2 2.400
ASSI (
(( segid " " and resid 35 and name HB3 ))
)(
(( segid " " and resid 35 and name HG3 ))
)
2.300 0.700 0.700 peak 2128 weight 0.10000E+01 volume 0.12170E+01 ppm1 2.158 ppm2 2.396
ASSI (
(( segid " " and resid 35 and name HB3 ))
)(
(( segid " " and resid 35 and name HB2 ))
)
2.000 0.500 0.500 peak 2130 weight 0.10000E+01 volume 0.28200E+01 ppm1 2.161 ppm2 1.884
ASSI (
(( segid " " and resid 35 and name HB3 ))
)(
(( segid " " and resid 36 and name H ))
)
2.900 1.100 1.100 peak 2131 weight 0.10000E+01 volume 0.25400E+00 ppm1 2.165 ppm2 5.828
ASSI (
(( segid " " and resid 89 and name HG3 ))
)(
(( segid " " and resid 89 and name HA ))
)
2.900 1.100 1.100 peak 2132 weight 0.10000E+01 volume 0.44400E+00 ppm1 2.145 ppm2 4.881
ASSI (
(( segid " " and resid 89 and name HG2 ))
)(
(( segid " " and resid 89 and name HA ))
)
2.800 1.000 1.000 peak 2133 weight 0.10000E+01 volume 0.50900E+00 ppm1 2.008 ppm2 4.878
ASSI (
(( segid " " and resid 89 and name HG2 ))
)(
(( segid " " and resid 89 and name H ))
)
2.700 0.900 0.900 peak 2135 weight 0.10000E+01 volume 0.38800E+00 ppm1 2.008 ppm2 8.672
ASSI (
(( segid " " and resid 53 and name HG3 ))
)(
(( segid " " and resid 53 and name HA ))
)
2.900 1.100 1.100 peak 2143 weight 0.10000E+01 volume 0.45700E+00 ppm1 1.966 ppm2 4.543
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 105 and name HA ))
)
2.900 1.100 1.100 peak 2156 weight 0.10000E+01 volume 0.45600E+00 ppm1 1.764 ppm2 5.370
ASSI (
(( segid " " and resid 105 and name HB2 ))
)(
(( segid " " and resid 105 and name HB3 ))
)
2.000 0.500 0.500 peak 2157 weight 0.10000E+01 volume 0.28060E+01 ppm1 1.764 ppm2 2.114
ASSI (
(( segid " " and resid 30 and name HD2 ))
)(
(( segid " " and resid 30 and name HD3 ))
)
2.000 0.500 0.500 peak 2161 weight 0.10000E+01 volume 0.25030E+01 ppm1 3.167 ppm2 3.595
ASSI (
(( segid " " and resid 60 and name HD2 ))
)(
(( segid " " and resid 60 and name HD3 ))
)
1.900 0.500 0.500 peak 2169 weight 0.10000E+01 volume 0.35430E+01 ppm1 3.658 ppm2 3.410
ASSI (
(( segid " " and resid 66 and name HD3 ))
)(
(( segid " " and resid 66 and name HD2 ))
)
1.600 0.300 0.600 peak 2177 weight 0.10000E+01 volume 0.10046E+02 ppm1 3.789 ppm2 3.686
ASSI (
(( segid " " and resid 66 and name HD2 ))
)(
(( segid " " and resid 65 and name HA ))
)
2.600 0.800 0.800 peak 2183 weight 0.10000E+01 volume 0.73900E+00 ppm1 3.695 ppm2 4.715
ASSI (
(( segid " " and resid 101 and name HD2 ))
)(
(( segid " " and resid 102 and name H ))
)
3.100 1.200 1.200 peak 2184 weight 0.10000E+01 volume 0.19900E+00 ppm1 3.794 ppm2 8.862
ASSI (
(( segid " " and resid 101 and name HD3 ))
)(
(( segid " " and resid 102 and name H ))
)
3.000 1.100 1.100 peak 2185 weight 0.10000E+01 volume 0.20200E+00 ppm1 3.868 ppm2 8.862
ASSI (
(( segid " " and resid 80 and name HD2 ))
)(
(( segid " " and resid 80 and name HD3 ))
)
2.000 0.500 0.500 peak 2188 weight 0.10000E+01 volume 0.24420E+01 ppm1 4.469 ppm2 3.861
ASSI (
(( segid " " and resid 80 and name HD3 ))
)(
(( segid " " and resid 79 and name HA ))
)
2.300 0.700 0.700 peak 2190 weight 0.10000E+01 volume 0.14940E+01 ppm1 3.861 ppm2 5.494
ASSI (
(( segid " " and resid 80 and name HD2 ))
)(
(( segid " " and resid 79 and name HA ))
)
2.300 0.700 0.700 peak 2192 weight 0.10000E+01 volume 0.14940E+01 ppm1 4.469 ppm2 5.499
ASSI (
(( segid " " and resid 80 and name HD2 ))
)(
(( segid " " and resid 80 and name HG3 ))
)
2.500 0.800 0.800 peak 2197 weight 0.10000E+01 volume 0.65100E+00 ppm1 4.469 ppm2 2.226
ASSI (
(( segid " " and resid 95 and name HD3 ))
)(
(( segid " " and resid 95 and name HD2 ))
)
2.000 0.500 0.500 peak 2198 weight 0.10000E+01 volume 0.27640E+01 ppm1 4.063 ppm2 3.765
ASSI (
(( segid " " and resid 95 and name HD3 ))
)(
(( segid " " and resid 94 and name HA ))
)
2.600 0.800 0.800 peak 2199 weight 0.10000E+01 volume 0.86700E+00 ppm1 4.067 ppm2 4.721
ASSI (
(( segid " " and resid 95 and name HD3 ))
)(
(( segid " " and resid 95 and name HG2 ))
)
2.500 0.800 0.800 peak 2202 weight 0.10000E+01 volume 0.67200E+00 ppm1 4.066 ppm2 1.710
ASSI (
(( segid " " and resid 95 and name HD2 ))
)(
(( segid " " and resid 95 and name HG2 ))
)
2.600 0.800 0.800 peak 2207 weight 0.10000E+01 volume 0.50800E+00 ppm1 3.763 ppm2 1.715
ASSI (
(( segid " " and resid 26 and name HA ))
)(
(( segid " " and resid 26 and name HB2 ))
)
2.500 0.800 0.800 peak 2210 weight 0.10000E+01 volume 0.10960E+01 ppm1 4.476 ppm2 0.476
ASSI (
(( segid " " and resid 88 and name HA ))
)(
(( segid " " and resid 89 and name H ))
)
2.100 0.600 0.600 peak 2214 weight 0.10000E+01 volume 0.27250E+01 ppm1 4.441 ppm2 8.686
ASSI (
(( segid " " and resid 88 and name HA ))
)(
(( segid " " and resid 88 and name HB3 ))
)
2.600 0.800 0.800 peak 2217 weight 0.10000E+01 volume 0.84100E+00 ppm1 4.437 ppm2 0.991
ASSI (
(( segid " " and resid 37 and name HB ))
)(
(( segid " " and resid 37 and name H ))
)
3.200 1.300 1.300 peak 2219 weight 0.10000E+01 volume 0.14700E+00 ppm1 4.080 ppm2 9.105
ASSI (
(( segid " " and resid 37 and name HB ))
)(
(( segid " " and resid 38 and name H ))
)
3.100 1.200 1.200 peak 2220 weight 0.10000E+01 volume 0.19300E+00 ppm1 4.071 ppm2 8.031
ASSI (
(( segid " " and resid 31 and name HB ))
)(
(( segid " " and resid 31 and name H ))
)
2.700 0.900 0.900 peak 2226 weight 0.10000E+01 volume 0.39200E+00 ppm1 4.274 ppm2 8.006
ASSI (
(( segid " " and resid 65 and name HB ))
)(
(( segid " " and resid 65 and name HA ))
)
2.500 0.800 0.800 peak 2230 weight 0.10000E+01 volume 0.93400E+00 ppm1 4.219 ppm2 4.728
ASSI (
(( segid " " and resid 65 and name HB ))
)(
(( segid " " and resid 66 and name HD2 ))
)
2.300 0.700 0.700 peak 2231 weight 0.10000E+01 volume 0.11670E+01 ppm1 4.217 ppm2 3.699
ASSI (
(( segid " " and resid 65 and name HB ))
)(
(( segid " " and resid 66 and name HG2 ))
)
2.800 1.000 1.000 peak 2232 weight 0.10000E+01 volume 0.34300E+00 ppm1 4.220 ppm2 2.059
ASSI (
(( segid " " and resid 65 and name HB ))
)(
(( segid " " and resid 65 and name H ))
)
2.700 0.900 0.900 peak 2234 weight 0.10000E+01 volume 0.43700E+00 ppm1 4.221 ppm2 7.927
ASSI (
(( segid " " and resid 16 and name HB ))
)(
(( segid " " and resid 16 and name HA ))
)
2.400 0.700 0.700 peak 2238 weight 0.10000E+01 volume 0.11630E+01 ppm1 3.907 ppm2 4.726
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 62 and name HD2 ))
)
2.700 0.900 0.900 peak 2242 weight 0.10000E+01 volume 0.38100E+00 ppm1 4.002 ppm2 3.651
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 61 and name HA ))
)
2.500 0.800 0.800 peak 2243 weight 0.10000E+01 volume 0.89900E+00 ppm1 4.005 ppm2 4.458
ASSI (
(( segid " " and resid 21 and name HB ))
)(
(( segid " " and resid 21 and name H ))
)
2.200 0.600 0.600 peak 2244 weight 0.10000E+01 volume 0.13270E+01 ppm1 3.971 ppm2 8.801
ASSI (
(( segid " " and resid 61 and name HB ))
)(
(( segid " " and resid 61 and name H ))
)
2.400 0.700 0.700 peak 2245 weight 0.10000E+01 volume 0.81400E+00 ppm1 4.000 ppm2 8.594
ASSI (
(( segid " " and resid 107 and name HB ))
)(
(( segid " " and resid 12 and name H ))
)
3.300 1.400 1.400 peak 2250 weight 0.10000E+01 volume 0.13000E+00 ppm1 3.716 ppm2 8.151
ASSI (
(( segid " " and resid 107 and name HB ))
)(
(( segid " " and resid 107 and name H ))
)
2.400 0.700 0.700 peak 2251 weight 0.10000E+01 volume 0.92800E+00 ppm1 3.719 ppm2 7.963
ASSI (
(( segid " " and resid 107 and name HB ))
)(
(( segid " " and resid 107 and name HA ))
)
2.600 0.800 0.800 peak 2252 weight 0.10000E+01 volume 0.85900E+00 ppm1 3.717 ppm2 4.966
ASSI (
(( segid " " and resid 22 and name HB ))
)(
(( segid " " and resid 78 and name H ))
)
2.800 1.000 1.000 peak 2254 weight 0.10000E+01 volume 0.36700E+00 ppm1 3.696 ppm2 8.987
ASSI (
(( segid " " and resid 22 and name HB ))
)(
(( segid " " and resid 22 and name H ))
)
2.500 0.800 0.800 peak 2255 weight 0.10000E+01 volume 0.62100E+00 ppm1 3.688 ppm2 9.520
ASSI (
(( segid " " and resid 59 and name HB ))
)(
(( segid " " and resid 59 and name H ))
)
2.500 0.800 0.800 peak 2256 weight 0.10000E+01 volume 0.59700E+00 ppm1 3.745 ppm2 8.456
ASSI (
(( segid " " and resid 59 and name HB ))
)(
(( segid " " and resid 73 and name H ))
)
2.200 0.600 0.600 peak 2259 weight 0.10000E+01 volume 0.14610E+01 ppm1 3.746 ppm2 7.773
ASSI (
(( segid " " and resid 59 and name HB ))
)(
(( segid " " and resid 59 and name HA ))
)
2.400 0.700 0.700 peak 2260 weight 0.10000E+01 volume 0.11880E+01 ppm1 3.747 ppm2 4.437
ASSI (
(( segid " " and resid 22 and name HB ))
)(
(( segid " " and resid 22 and name HA ))
)
3.000 1.100 1.100 peak 2261 weight 0.10000E+01 volume 0.31000E+00 ppm1 3.694 ppm2 4.368
ASSI (
(( segid " " and resid 84 and name HA2 ))
)(
(( segid " " and resid 84 and name H ))
)
2.700 0.900 0.900 peak 2270 weight 0.10000E+01 volume 0.62500E+00 ppm1 4.452 ppm2 8.990
ASSI (
(( segid " " and resid 84 and name HA2 ))
)(
(( segid " " and resid 85 and name H ))
)
2.600 0.800 0.800 peak 2271 weight 0.10000E+01 volume 0.80600E+00 ppm1 4.447 ppm2 8.296
ASSI (
(( segid " " and resid 84 and name HA3 ))
)(
(( segid " " and resid 84 and name H ))
)
2.800 1.000 1.000 peak 2273 weight 0.10000E+01 volume 0.56900E+00 ppm1 3.636 ppm2 9.000
ASSI (
(( segid " " and resid 98 and name HA3 ))
)(
(( segid " " and resid 98 and name H ))
)
2.400 0.700 0.700 peak 2277 weight 0.10000E+01 volume 0.12290E+01 ppm1 3.506 ppm2 7.374
ASSI (
(( segid " " and resid 98 and name HA3 ))
)(
(( segid " " and resid 99 and name H ))
)
2.400 0.700 0.700 peak 2278 weight 0.10000E+01 volume 0.13900E+01 ppm1 3.508 ppm2 7.993
ASSI (
(( segid " " and resid 98 and name HA2 ))
)(
(( segid " " and resid 99 and name H ))
)
2.500 0.800 0.800 peak 2279 weight 0.10000E+01 volume 0.10940E+01 ppm1 4.170 ppm2 7.989
ASSI (
(( segid " " and resid 98 and name HA2 ))
)(
(( segid " " and resid 98 and name H ))
)
2.500 0.800 0.800 peak 2280 weight 0.10000E+01 volume 0.10600E+01 ppm1 4.170 ppm2 7.374
ASSI (
(( segid " " and resid 98 and name HA2 ))
)(
(( segid " " and resid 99 and name HG13))
)
3.100 1.200 1.200 peak 2283 weight 0.10000E+01 volume 0.30000E+00 ppm1 4.172 ppm2 1.694
ASSI (
(( segid " " and resid 98 and name HA3 ))
)(
(( segid " " and resid 99 and name HG13))
)
2.300 0.700 0.700 peak 2288 weight 0.10000E+01 volume 0.17920E+01 ppm1 3.522 ppm2 1.669
ASSI (
(( segid " " and resid 40 and name HA2 ))
)(
(( segid " " and resid 40 and name HA3 ))
)
2.000 0.500 0.500 peak 2289 weight 0.10000E+01 volume 0.54630E+01 ppm1 4.405 ppm2 3.637
ASSI (
(( segid " " and resid 40 and name HA2 ))
)(
(( segid " " and resid 40 and name H ))
)
2.600 0.800 0.800 peak 2290 weight 0.10000E+01 volume 0.84400E+00 ppm1 4.405 ppm2 8.418
ASSI (
(( segid " " and resid 19 and name HA2 ))
)(
(( segid " " and resid 19 and name H ))
)
2.400 0.700 0.700 peak 2291 weight 0.10000E+01 volume 0.12420E+01 ppm1 3.588 ppm2 8.375
ASSI (
(( segid " " and resid 40 and name HA3 ))
)(
(( segid " " and resid 40 and name H ))
)
2.500 0.800 0.800 peak 2292 weight 0.10000E+01 volume 0.99200E+00 ppm1 3.640 ppm2 8.407
ASSI (
(( segid " " and resid 33 and name HA2 ))
)(
(( segid " " and resid 33 and name H ))
)
2.400 0.700 0.700 peak 2293 weight 0.10000E+01 volume 0.13840E+01 ppm1 3.624 ppm2 7.882
ASSI (
(( segid " " and resid 43 and name HA2 ))
)(
(( segid " " and resid 43 and name H ))
)
2.600 0.800 0.800 peak 2298 weight 0.10000E+01 volume 0.72600E+00 ppm1 4.196 ppm2 8.877
ASSI (
(( segid " " and resid 71 and name HA3 ))
)(
(( segid " " and resid 72 and name H ))
)
2.600 0.800 0.800 peak 2301 weight 0.10000E+01 volume 0.75000E+00 ppm1 4.146 ppm2 8.273
ASSI (
(( segid " " and resid 71 and name HA2 ))
)(
(( segid " " and resid 72 and name H ))
)
2.500 0.800 0.800 peak 2302 weight 0.10000E+01 volume 0.94600E+00 ppm1 4.082 ppm2 8.272
ASSI (
(( segid " " and resid 71 and name HA3 ))
)(
(( segid " " and resid 71 and name H ))
)
2.600 0.800 0.800 peak 2303 weight 0.10000E+01 volume 0.82500E+00 ppm1 4.154 ppm2 8.572
ASSI (
(( segid " " and resid 43 and name HA3 ))
)(
(( segid " " and resid 43 and name H ))
)
2.600 0.800 0.800 peak 2308 weight 0.10000E+01 volume 0.71400E+00 ppm1 3.696 ppm2 8.870
ASSI (
(( segid " " and resid 43 and name HA3 ))
)(
(( segid " " and resid 44 and name H ))
)
2.700 0.900 0.900 peak 2309 weight 0.10000E+01 volume 0.62300E+00 ppm1 3.688 ppm2 8.080
ASSI (
(( segid " " and resid 34 and name HB2 ))
)(
(( segid " " and resid 35 and name H ))
)
2.900 1.100 1.100 peak 2313 weight 0.10000E+01 volume 0.25500E+00 ppm1 2.073 ppm2 8.279
ASSI (
(( segid " " and resid 72 and name HA2 ))
)(
(( segid " " and resid 72 and name HA3 ))
)
2.200 0.600 0.600 peak 2314 weight 0.10000E+01 volume 0.33930E+01 ppm1 4.371 ppm2 4.097
ASSI (
(( segid " " and resid 72 and name HA3 ))
)(
(( segid " " and resid 73 and name H ))
)
2.600 0.800 0.800 peak 2317 weight 0.10000E+01 volume 0.86400E+00 ppm1 4.091 ppm2 7.769
ASSI (
(( segid " " and resid 72 and name HA3 ))
)(
(( segid " " and resid 72 and name H ))
)
2.900 1.100 1.100 peak 2319 weight 0.10000E+01 volume 0.39100E+00 ppm1 4.095 ppm2 8.269
ASSI (
(( segid " " and resid 19 and name HA3 ))
)(
(( segid " " and resid 19 and name H ))
)
2.600 0.800 0.800 peak 2331 weight 0.10000E+01 volume 0.76000E+00 ppm1 4.293 ppm2 8.375
ASSI (
(( segid " " and resid 28 and name HA2 ))
)(
(( segid " " and resid 28 and name H ))
)
3.200 1.300 1.300 peak 2332 weight 0.10000E+01 volume 0.22100E+00 ppm1 4.205 ppm2 8.346
ASSI (
(( segid " " and resid 109 and name HB3 ))
)(
(( segid " " and resid 109 and name HA ))
)
1.900 0.500 0.500 peak 2356 weight 0.10000E+01 volume 0.56180E+01 ppm1 2.273 ppm2 4.527
ASSI (
(( segid " " and resid 109 and name HB3 ))
)(
(( segid " " and resid 109 and name HB2 ))
)
2.400 0.700 0.700 peak 2357 weight 0.10000E+01 volume 0.80800E+00 ppm1 2.275 ppm2 2.021
ASSI (
(( segid " " and resid 109 and name HB2 ))
)(
(( segid " " and resid 13 and name HA ))
)
3.100 1.200 1.200 peak 2358 weight 0.10000E+01 volume 0.28400E+00 ppm1 2.011 ppm2 5.129
ASSI (
(( segid " " and resid 109 and name HB3 ))
)(
(( segid " " and resid 109 and name H ))
)
2.700 0.900 0.900 peak 2359 weight 0.10000E+01 volume 0.43400E+00 ppm1 2.281 ppm2 9.160
ASSI (
(( segid " " and resid 109 and name HB2 ))
)(
(( segid " " and resid 109 and name H ))
)
2.700 0.900 0.900 peak 2360 weight 0.10000E+01 volume 0.42300E+00 ppm1 2.019 ppm2 9.154
ASSI (
(( segid " " and resid 109 and name HB3 ))
)(
(( segid " " and resid 14 and name H ))
)
3.000 1.100 1.100 peak 2362 weight 0.10000E+01 volume 0.24200E+00 ppm1 2.266 ppm2 8.838
ASSI (
(( segid " " and resid 101 and name HG3 ))
)(
(( segid " " and resid 100 and name HA ))
)
3.200 1.300 1.300 peak 2364 weight 0.10000E+01 volume 0.22300E+00 ppm1 2.182 ppm2 4.908
ASSI (
(( segid " " and resid 101 and name HG3 ))
)(
(( segid " " and resid 101 and name HB3 ))
)
2.200 0.600 0.600 peak 2367 weight 0.10000E+01 volume 0.15110E+01 ppm1 2.183 ppm2 2.373
ASSI (
(( segid " " and resid 101 and name HG3 ))
)(
(( segid " " and resid 101 and name HG2 ))
)
1.700 0.400 0.500 peak 2368 weight 0.10000E+01 volume 0.66550E+01 ppm1 2.184 ppm2 2.009
ASSI (
(( segid " " and resid 101 and name HG2 ))
)(
(( segid " " and resid 101 and name HB3 ))
)
2.000 0.500 0.500 peak 2369 weight 0.10000E+01 volume 0.25680E+01 ppm1 2.015 ppm2 2.361
ASSI (
(( segid " " and resid 101 and name HG3 ))
)(
(( segid " " and resid 101 and name HD2 ))
)
2.100 0.600 0.600 peak 2373 weight 0.10000E+01 volume 0.20280E+01 ppm1 2.184 ppm2 3.818
ASSI (
(( segid " " and resid 101 and name HG3 ))
)(
(( segid " " and resid 102 and name H ))
)
3.100 1.200 1.200 peak 2374 weight 0.10000E+01 volume 0.19200E+00 ppm1 2.186 ppm2 8.860
ASSI (
(( segid " " and resid 62 and name HG3 ))
)(
(( segid " " and resid 62 and name HB3 ))
)
2.300 0.700 0.700 peak 2378 weight 0.10000E+01 volume 0.12310E+01 ppm1 1.933 ppm2 2.248
ASSI (
(( segid " " and resid 95 and name HG3 ))
)(
(( segid " " and resid 95 and name HG2 ))
)
1.800 0.400 0.400 peak 2381 weight 0.10000E+01 volume 0.43370E+01 ppm1 2.140 ppm2 1.710
ASSI (
(( segid " " and resid 95 and name HG3 ))
)(
(( segid " " and resid 95 and name HD3 ))
)
2.500 0.800 0.800 peak 2387 weight 0.10000E+01 volume 0.61500E+00 ppm1 2.142 ppm2 4.069
ASSI (
(( segid " " and resid 95 and name HG3 ))
)(
(( segid " " and resid 95 and name HD2 ))
)
2.200 0.600 0.600 peak 2388 weight 0.10000E+01 volume 0.16090E+01 ppm1 2.139 ppm2 3.775
ASSI (
(( segid " " and resid 38 and name HG2 ))
)(
(( segid " " and resid 38 and name HA ))
)
3.100 1.200 1.200 peak 2405 weight 0.10000E+01 volume 0.25500E+00 ppm1 1.992 ppm2 5.131
ASSI (
(( segid " " and resid 38 and name HG2 ))
)(
(( segid " " and resid 38 and name H ))
)
3.200 1.300 1.300 peak 2416 weight 0.10000E+01 volume 0.15000E+00 ppm1 1.749 ppm2 7.989
ASSI (
(( segid " " and resid 80 and name HG3 ))
)(
(( segid " " and resid 80 and name HG2 ))
)
1.900 0.500 0.500 peak 2423 weight 0.10000E+01 volume 0.30390E+01 ppm1 2.244 ppm2 1.778
ASSI (
(( segid " " and resid 80 and name HG3 ))
)(
(( segid " " and resid 80 and name HD3 ))
)
2.400 0.700 0.700 peak 2427 weight 0.10000E+01 volume 0.79000E+00 ppm1 2.247 ppm2 3.886
ASSI (
(( segid " " and resid 80 and name HG3 ))
)(
(( segid " " and resid 19 and name H ))
)
3.100 1.200 1.200 peak 2430 weight 0.10000E+01 volume 0.17100E+00 ppm1 2.236 ppm2 8.368
ASSI (
(( segid " " and resid 80 and name HG2 ))
)(
(( segid " " and resid 80 and name HD2 ))
)
2.400 0.700 0.700 peak 2433 weight 0.10000E+01 volume 0.76200E+00 ppm1 1.779 ppm2 4.470
ASSI (
(( segid " " and resid 80 and name HG2 ))
)(
(( segid " " and resid 80 and name HD3 ))
)
2.400 0.700 0.700 peak 2434 weight 0.10000E+01 volume 0.76400E+00 ppm1 1.779 ppm2 3.876
ASSI (
(( segid " " and resid 80 and name HG3 ))
)(
(( segid " " and resid 80 and name HB2 ))
)
2.400 0.700 0.700 peak 2437 weight 0.10000E+01 volume 0.82200E+00 ppm1 2.247 ppm2 1.972
ASSI (
(( segid " " and resid 102 and name HB3 ))
)(
(( segid " " and resid 102 and name HA ))
)
2.300 0.700 0.700 peak 2441 weight 0.10000E+01 volume 0.18190E+01 ppm1 2.078 ppm2 4.219
ASSI (
(( segid " " and resid 102 and name HB2 ))
)(
(( segid " " and resid 102 and name HA ))
)
2.100 0.600 0.600 peak 2442 weight 0.10000E+01 volume 0.27830E+01 ppm1 2.054 ppm2 4.222
ASSI (
(( segid " " and resid 83 and name HG3 ))
)(
(( segid " " and resid 83 and name HB2 ))
)
2.300 0.700 0.700 peak 2456 weight 0.10000E+01 volume 0.10750E+01 ppm1 1.501 ppm2 1.865
ASSI (
(( segid " " and resid 83 and name HG2 ))
)(
(( segid " " and resid 83 and name HA ))
)
2.900 1.100 1.100 peak 2459 weight 0.10000E+01 volume 0.41200E+00 ppm1 1.734 ppm2 3.952
ASSI (
(( segid " " and resid 51 and name HG13))
)(
(( segid " " and resid 51 and name HA ))
)
2.900 1.100 1.100 peak 2466 weight 0.10000E+01 volume 0.37500E+00 ppm1 1.473 ppm2 3.809
ASSI (
(( segid " " and resid 51 and name HG13))
)(
(( segid " " and resid 51 and name H ))
)
2.600 0.800 0.800 peak 2467 weight 0.10000E+01 volume 0.51400E+00 ppm1 1.476 ppm2 7.590
ASSI (
(( segid " " and resid 51 and name HG13))
)(
(( segid " " and resid 52 and name H ))
)
2.900 1.100 1.100 peak 2468 weight 0.10000E+01 volume 0.24500E+00 ppm1 1.471 ppm2 8.279
ASSI (
(( segid " " and resid 90 and name HG ))
)(
(( segid " " and resid 90 and name H ))
)
2.800 1.000 1.000 peak 2476 weight 0.10000E+01 volume 0.32000E+00 ppm1 1.550 ppm2 9.199
ASSI (
(( segid " " and resid 47 and name HG ))
)(
(( segid " " and resid 47 and name H ))
)
2.400 0.700 0.700 peak 2481 weight 0.10000E+01 volume 0.88000E+00 ppm1 1.657 ppm2 8.841
ASSI (
(( segid " " and resid 47 and name HG ))
)(
(( segid " " and resid 47 and name HA ))
)
3.000 1.100 1.100 peak 2482 weight 0.10000E+01 volume 0.36200E+00 ppm1 1.662 ppm2 4.257
ASSI (
(( segid " " and resid 104 and name HB3 ))
)(
(( segid " " and resid 104 and name HA ))
)
2.600 0.800 0.800 peak 2486 weight 0.10000E+01 volume 0.79200E+00 ppm1 2.044 ppm2 4.199
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 104 and name HA ))
)
2.500 0.800 0.800 peak 2487 weight 0.10000E+01 volume 0.91100E+00 ppm1 1.971 ppm2 4.198
ASSI (
(( segid " " and resid 104 and name HB3 ))
)(
(( segid " " and resid 36 and name HH2 ))
)
3.700 1.700 1.700 peak 2492 weight 0.10000E+01 volume 0.11700E+00 ppm1 2.064 ppm2 6.718
ASSI (
(( segid " " and resid 104 and name HB3 ))
)(
(( segid " " and resid 92 and name H ))
)
3.000 1.100 1.100 peak 2493 weight 0.10000E+01 volume 0.20600E+00 ppm1 2.048 ppm2 8.114
ASSI (
(( segid " " and resid 104 and name HB3 ))
)(
(( segid " " and resid 105 and name H ))
)
2.900 1.100 1.100 peak 2495 weight 0.10000E+01 volume 0.29900E+00 ppm1 2.046 ppm2 8.497
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 105 and name H ))
)
2.900 1.100 1.100 peak 2496 weight 0.10000E+01 volume 0.30100E+00 ppm1 1.974 ppm2 8.511
ASSI (
(( segid " " and resid 104 and name HB3 ))
)(
(( segid " " and resid 104 and name H ))
)
2.400 0.700 0.700 peak 2497 weight 0.10000E+01 volume 0.76200E+00 ppm1 2.047 ppm2 9.221
ASSI (
(( segid " " and resid 104 and name HB3 ))
)(
(( segid " " and resid 92 and name HB3 ))
)
3.100 1.200 1.200 peak 2501 weight 0.10000E+01 volume 0.19800E+00 ppm1 2.048 ppm2 -0.203
ASSI (
(( segid " " and resid 104 and name HB2 ))
)(
(( segid " " and resid 92 and name HB3 ))
)
3.000 1.100 1.100 peak 2502 weight 0.10000E+01 volume 0.23300E+00 ppm1 1.971 ppm2 -0.227
ASSI (
(( segid " " and resid 42 and name HB ))
)(
(( segid " " and resid 42 and name HA ))
)
2.900 1.100 1.100 peak 2507 weight 0.10000E+01 volume 0.41400E+00 ppm1 2.041 ppm2 3.717
ASSI (
(( segid " " and resid 42 and name HB ))
)(
(( segid " " and resid 42 and name H ))
)
2.100 0.600 0.600 peak 2508 weight 0.10000E+01 volume 0.17110E+01 ppm1 2.036 ppm2 7.788
ASSI (
(( segid " " and resid 83 and name HB3 ))
)(
(( segid " " and resid 83 and name HA ))
)
2.700 0.900 0.900 peak 2519 weight 0.10000E+01 volume 0.70900E+00 ppm1 1.740 ppm2 3.943
ASSI (
(( segid " " and resid 83 and name HB2 ))
)(
(( segid " " and resid 84 and name H ))
)
2.800 1.000 1.000 peak 2522 weight 0.10000E+01 volume 0.34100E+00 ppm1 1.849 ppm2 9.006
ASSI (
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 81 and name HA ))
)
2.900 1.100 1.100 peak 2525 weight 0.10000E+01 volume 0.41300E+00 ppm1 1.712 ppm2 4.413
ASSI (
(( segid " " and resid 81 and name HB3 ))
)(
(( segid " " and resid 81 and name HA ))
)
2.600 0.800 0.800 peak 2526 weight 0.10000E+01 volume 0.80700E+00 ppm1 1.995 ppm2 4.416
ASSI (
(( segid " " and resid 81 and name HB3 ))
)(
(( segid " " and resid 81 and name HD2 ))
)
2.300 0.700 0.700 peak 2528 weight 0.10000E+01 volume 0.12320E+01 ppm1 1.998 ppm2 3.019
ASSI (
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 81 and name HB3 ))
)
1.900 0.500 0.500 peak 2530 weight 0.10000E+01 volume 0.32480E+01 ppm1 1.704 ppm2 1.999
ASSI (
(( segid " " and resid 81 and name HB2 ))
)(
(( segid " " and resid 51 and name HA ))
)
3.200 1.300 1.300 peak 2533 weight 0.10000E+01 volume 0.22600E+00 ppm1 1.709 ppm2 3.811
ASSI (
(( segid " " and resid 81 and name HB3 ))
)(
(( segid " " and resid 51 and name HA ))
)
3.100 1.200 1.200 peak 2534 weight 0.10000E+01 volume 0.25800E+00 ppm1 2.006 ppm2 3.826
ASSI (
(( segid " " and resid 81 and name HB3 ))
)(
(( segid " " and resid 81 and name H ))
)
2.900 1.100 1.100 peak 2535 weight 0.10000E+01 volume 0.24500E+00 ppm1 1.997 ppm2 8.996
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 101 and name HA ))
)
2.500 0.800 0.800 peak 2537 weight 0.10000E+01 volume 0.11030E+01 ppm1 1.930 ppm2 4.239
ASSI (
(( segid " " and resid 30 and name HB2 ))
)(
(( segid " " and resid 30 and name HA ))
)
2.700 0.900 0.900 peak 2538 weight 0.10000E+01 volume 0.60400E+00 ppm1 1.934 ppm2 4.927
ASSI (
(( segid " " and resid 30 and name HB3 ))
)(
(( segid " " and resid 30 and name HA ))
)
2.500 0.800 0.800 peak 2539 weight 0.10000E+01 volume 0.99100E+00 ppm1 2.273 ppm2 4.929
ASSI (
(( segid " " and resid 62 and name HB3 ))
)(
(( segid " " and resid 63 and name H ))
)
3.100 1.200 1.200 peak 2541 weight 0.10000E+01 volume 0.18400E+00 ppm1 2.256 ppm2 8.379
ASSI (
(( segid " " and resid 30 and name HB3 ))
)(
(( segid " " and resid 30 and name HD2 ))
)
2.800 1.000 1.000 peak 2544 weight 0.10000E+01 volume 0.30700E+00 ppm1 2.281 ppm2 3.167
ASSI (
(( segid " " and resid 30 and name HB2 ))
)(
(( segid " " and resid 30 and name HG3 ))
)
2.200 0.600 0.600 peak 2547 weight 0.10000E+01 volume 0.14980E+01 ppm1 1.934 ppm2 1.498
ASSI (
(( segid " " and resid 101 and name HB2 ))
)(
(( segid " " and resid 102 and name H ))
)
2.900 1.100 1.100 peak 2551 weight 0.10000E+01 volume 0.28100E+00 ppm1 1.930 ppm2 8.861
ASSI (
(( segid " " and resid 101 and name HB3 ))
)(
(( segid " " and resid 102 and name H ))
)
2.800 1.000 1.000 peak 2552 weight 0.10000E+01 volume 0.30600E+00 ppm1 2.381 ppm2 8.862
ASSI (
(( segid " " and resid 101 and name HB3 ))
)(
(( segid " " and resid 101 and name HB2 ))
)
1.800 0.400 0.400 peak 2555 weight 0.10000E+01 volume 0.50660E+01 ppm1 2.383 ppm2 1.926
ASSI (
(( segid " " and resid 95 and name HB3 ))
)(
(( segid " " and resid 95 and name HB2 ))
)
1.900 0.500 0.500 peak 2559 weight 0.10000E+01 volume 0.40040E+01 ppm1 2.080 ppm2 1.883
ASSI (
(( segid " " and resid 39 and name HB ))
)(
(( segid " " and resid 39 and name HA ))
)
2.600 0.800 0.800 peak 2564 weight 0.10000E+01 volume 0.77800E+00 ppm1 2.029 ppm2 3.467
ASSI (
(( segid " " and resid 60 and name HB3 ))
)(
(( segid " " and resid 60 and name HA ))
)
2.300 0.700 0.700 peak 2573 weight 0.10000E+01 volume 0.15860E+01 ppm1 2.326 ppm2 4.329
ASSI (
(( segid " " and resid 60 and name HB3 ))
)(
(( segid " " and resid 60 and name HD2 ))
)
2.900 1.100 1.100 peak 2574 weight 0.10000E+01 volume 0.29700E+00 ppm1 2.319 ppm2 3.656
ASSI (
(( segid " " and resid 60 and name HB3 ))
)(
(( segid " " and resid 60 and name HD3 ))
)
2.800 1.000 1.000 peak 2575 weight 0.10000E+01 volume 0.32200E+00 ppm1 2.325 ppm2 3.420
ASSI (
(( segid " " and resid 60 and name HB3 ))
)(
(( segid " " and resid 60 and name HB2 ))
)
1.800 0.400 0.400 peak 2578 weight 0.10000E+01 volume 0.51730E+01 ppm1 2.324 ppm2 1.852
ASSI (
(( segid " " and resid 67 and name HG3 ))
)(
(( segid " " and resid 67 and name HA ))
)
3.200 1.300 1.300 peak 2580 weight 0.10000E+01 volume 0.21500E+00 ppm1 2.587 ppm2 4.447
ASSI (
(( segid " " and resid 67 and name HG3 ))
)(
(( segid " " and resid 67 and name H ))
)
3.200 1.300 1.300 peak 2582 weight 0.10000E+01 volume 0.14500E+00 ppm1 2.585 ppm2 8.324
ASSI (
(( segid " " and resid 44 and name HB3 ))
)(
(( segid " " and resid 44 and name HA ))
)
2.600 0.800 0.800 peak 2584 weight 0.10000E+01 volume 0.79200E+00 ppm1 2.097 ppm2 4.604
ASSI (
(( segid " " and resid 44 and name HB3 ))
)(
(( segid " " and resid 46 and name H ))
)
2.600 0.800 0.800 peak 2585 weight 0.10000E+01 volume 0.52900E+00 ppm1 2.101 ppm2 7.616
ASSI (
(( segid " " and resid 44 and name HB3 ))
)(
(( segid " " and resid 44 and name H ))
)
2.600 0.800 0.800 peak 2587 weight 0.10000E+01 volume 0.58300E+00 ppm1 2.097 ppm2 8.087
ASSI (
(( segid " " and resid 44 and name HB3 ))
)(
(( segid " " and resid 45 and name H ))
)
2.700 0.900 0.900 peak 2589 weight 0.10000E+01 volume 0.40500E+00 ppm1 2.100 ppm2 8.518
ASSI (
(( segid " " and resid 100 and name HB2 ))
)(
(( segid " " and resid 102 and name H ))
)
2.700 0.900 0.900 peak 2591 weight 0.10000E+01 volume 0.38800E+00 ppm1 2.082 ppm2 8.861
ASSI (
(( segid " " and resid 44 and name HB2 ))
)(
(( segid " " and resid 41 and name HB3 ))
)
3.200 1.300 1.300 peak 2592 weight 0.10000E+01 volume 0.15400E+00 ppm1 2.189 ppm2 3.486
ASSI (
(( segid " " and resid 44 and name HB3 ))
)(
(( segid " " and resid 41 and name HB3 ))
)
3.000 1.100 1.100 peak 2593 weight 0.10000E+01 volume 0.20500E+00 ppm1 2.102 ppm2 3.489
ASSI (
(( segid " " and resid 46 and name HB ))
)(
(( segid " " and resid 46 and name HA ))
)
2.400 0.700 0.700 peak 2597 weight 0.10000E+01 volume 0.12530E+01 ppm1 2.173 ppm2 4.292
ASSI (
(( segid " " and resid 70 and name HB ))
)(
(( segid " " and resid 70 and name H ))
)
2.500 0.800 0.800 peak 2598 weight 0.10000E+01 volume 0.59800E+00 ppm1 2.190 ppm2 8.022
ASSI (
(( segid " " and resid 80 and name HB2 ))
)(
(( segid " " and resid 80 and name HB3 ))
)
1.900 0.500 0.500 peak 2605 weight 0.10000E+01 volume 0.39520E+01 ppm1 1.988 ppm2 2.183
ASSI (
(( segid " " and resid 80 and name HB2 ))
)(
(( segid " " and resid 80 and name HG2 ))
)
2.500 0.800 0.800 peak 2606 weight 0.10000E+01 volume 0.70600E+00 ppm1 1.994 ppm2 1.782
ASSI (
(( segid " " and resid 80 and name HB3 ))
)(
(( segid " " and resid 18 and name HA ))
)
3.300 1.400 1.400 peak 2608 weight 0.10000E+01 volume 0.20500E+00 ppm1 2.176 ppm2 3.249
ASSI (
(( segid " " and resid 80 and name HB2 ))
)(
(( segid " " and resid 80 and name HD2 ))
)
3.300 1.400 1.400 peak 2611 weight 0.10000E+01 volume 0.12000E+00 ppm1 1.992 ppm2 4.466
ASSI (
(( segid " " and resid 80 and name HB3 ))
)(
(( segid " " and resid 81 and name H ))
)
3.000 1.100 1.100 peak 2612 weight 0.10000E+01 volume 0.23100E+00 ppm1 2.179 ppm2 8.958
ASSI (
(( segid " " and resid 80 and name HB2 ))
)(
(( segid " " and resid 19 and name H ))
)
3.200 1.300 1.300 peak 2613 weight 0.10000E+01 volume 0.16000E+00 ppm1 1.986 ppm2 8.379
ASSI (
(( segid " " and resid 80 and name HB3 ))
)(
(( segid " " and resid 86 and name HD2 ))
)
3.700 1.700 1.700 peak 2614 weight 0.10000E+01 volume 0.12400E+00 ppm1 2.175 ppm2 6.581
ASSI (
(( segid " " and resid 80 and name HB2 ))
)(
(( segid " " and resid 80 and name HD3 ))
)
2.900 1.100 1.100 peak 2615 weight 0.10000E+01 volume 0.24600E+00 ppm1 1.979 ppm2 3.872
ASSI (
(( segid " " and resid 80 and name HB3 ))
)(
(( segid " " and resid 80 and name HD3 ))
)
2.900 1.100 1.100 peak 2616 weight 0.10000E+01 volume 0.28600E+00 ppm1 2.171 ppm2 3.847
ASSI (
(( segid " " and resid 113 and name HB3 ))
)(
(( segid " " and resid 113 and name HB2 ))
)
1.700 0.400 0.500 peak 2623 weight 0.10000E+01 volume 0.58360E+01 ppm1 1.476 ppm2 1.903
ASSI (
(( segid " " and resid 113 and name HB2 ))
)(
(( segid " " and resid 113 and name HG2 ))
)
2.100 0.600 0.600 peak 2625 weight 0.10000E+01 volume 0.20280E+01 ppm1 1.903 ppm2 1.319
ASSI (
(( segid " " and resid 113 and name HB3 ))
)(
(( segid " " and resid 113 and name H ))
)
2.600 0.800 0.800 peak 2627 weight 0.10000E+01 volume 0.52900E+00 ppm1 1.478 ppm2 8.363
ASSI (
(( segid " " and resid 8 and name HB3 ))
)(
(( segid " " and resid 9 and name H ))
)
3.000 1.100 1.100 peak 2630 weight 0.10000E+01 volume 0.20500E+00 ppm1 1.887 ppm2 8.273
ASSI (
(( segid " " and resid 68 and name HB ))
)(
(( segid " " and resid 68 and name H ))
)
2.400 0.700 0.700 peak 2633 weight 0.10000E+01 volume 0.91700E+00 ppm1 2.069 ppm2 8.052
ASSI (
(( segid " " and resid 68 and name HB ))
)(
(( segid " " and resid 68 and name HA ))
)
2.700 0.900 0.900 peak 2634 weight 0.10000E+01 volume 0.63100E+00 ppm1 2.066 ppm2 4.097
ASSI (
(( segid " " and resid 1 and name HB2 ))
)(
(( segid " " and resid 3 and name H ))
)
2.700 0.900 0.900 peak 2636 weight 0.10000E+01 volume 0.37800E+00 ppm1 2.038 ppm2 8.337
ASSI (
(( segid " " and resid 1 and name HB3 ))
)(
(( segid " " and resid 3 and name H ))
)
2.800 1.000 1.000 peak 2637 weight 0.10000E+01 volume 0.35100E+00 ppm1 2.097 ppm2 8.325
ASSI (
(( segid " " and resid 8 and name HB3 ))
)(
(( segid " " and resid 104 and name HG2 ))
)
3.500 1.500 1.500 peak 2646 weight 0.10000E+01 volume 0.87000E-01 ppm1 1.890 ppm2 2.419
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 104 and name HG2 ))
)
2.900 1.100 1.100 peak 2648 weight 0.10000E+01 volume 0.25400E+00 ppm1 1.785 ppm2 2.431
ASSI (
(( segid " " and resid 8 and name HB3 ))
)(
(( segid " " and resid 8 and name HA ))
)
2.600 0.800 0.800 peak 2649 weight 0.10000E+01 volume 0.72100E+00 ppm1 1.889 ppm2 4.371
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 8 and name HA ))
)
2.800 1.000 1.000 peak 2650 weight 0.10000E+01 volume 0.55400E+00 ppm1 1.789 ppm2 4.376
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 9 and name H ))
)
2.900 1.100 1.100 peak 2651 weight 0.10000E+01 volume 0.24600E+00 ppm1 1.789 ppm2 8.256
ASSI (
(( segid " " and resid 8 and name HB3 ))
)(
(( segid " " and resid 8 and name H ))
)
2.800 1.000 1.000 peak 2652 weight 0.10000E+01 volume 0.32300E+00 ppm1 1.888 ppm2 8.473
ASSI (
(( segid " " and resid 8 and name HB2 ))
)(
(( segid " " and resid 8 and name H ))
)
2.600 0.800 0.800 peak 2653 weight 0.10000E+01 volume 0.46800E+00 ppm1 1.792 ppm2 8.465
ASSI (
(( segid " " and resid 20 and name HB2 ))
)(
(( segid " " and resid 20 and name HB3 ))
)
1.800 0.400 0.400 peak 2655 weight 0.10000E+01 volume 0.42980E+01 ppm1 1.905 ppm2 1.658
ASSI (
(( segid " " and resid 20 and name HB3 ))
)(
(( segid " " and resid 20 and name HD3 ))
)
2.300 0.700 0.700 peak 2656 weight 0.10000E+01 volume 0.10840E+01 ppm1 1.661 ppm2 1.463
ASSI (
(( segid " " and resid 20 and name HB3 ))
)(
(( segid " " and resid 20 and name HD2 ))
)
2.400 0.700 0.700 peak 2657 weight 0.10000E+01 volume 0.75900E+00 ppm1 1.663 ppm2 1.294
ASSI (
(( segid " " and resid 20 and name HB2 ))
)(
(( segid " " and resid 20 and name HD2 ))
)
2.400 0.700 0.700 peak 2658 weight 0.10000E+01 volume 0.82100E+00 ppm1 1.898 ppm2 1.294
ASSI (
(( segid " " and resid 20 and name HB2 ))
)(
(( segid " " and resid 20 and name HA ))
)
2.700 0.900 0.900 peak 2659 weight 0.10000E+01 volume 0.63700E+00 ppm1 1.909 ppm2 4.536
ASSI (
(( segid " " and resid 20 and name HB3 ))
)(
(( segid " " and resid 20 and name HA ))
)
2.700 0.900 0.900 peak 2660 weight 0.10000E+01 volume 0.58700E+00 ppm1 1.664 ppm2 4.524
ASSI (
(( segid " " and resid 20 and name HB2 ))
)(
(( segid " " and resid 20 and name H ))
)
2.500 0.800 0.800 peak 2661 weight 0.10000E+01 volume 0.59500E+00 ppm1 1.901 ppm2 7.615
ASSI (
(( segid " " and resid 20 and name HB3 ))
)(
(( segid " " and resid 20 and name H ))
)
2.400 0.700 0.700 peak 2662 weight 0.10000E+01 volume 0.87700E+00 ppm1 1.664 ppm2 7.612
ASSI (
(( segid " " and resid 20 and name HB3 ))
)(
(( segid " " and resid 17 and name H ))
)
2.600 0.800 0.800 peak 2664 weight 0.10000E+01 volume 0.49700E+00 ppm1 1.658 ppm2 8.809
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 76 and name H ))
)
2.300 0.700 0.700 peak 2667 weight 0.10000E+01 volume 0.10620E+01 ppm1 1.726 ppm2 9.200
ASSI (
(( segid " " and resid 76 and name HB ))
)(
(( segid " " and resid 76 and name HA ))
)
3.200 1.300 1.300 peak 2669 weight 0.10000E+01 volume 0.23500E+00 ppm1 1.730 ppm2 4.929
ASSI (
(( segid " " and resid 60 and name HB2 ))
)(
(( segid " " and resid 60 and name HD3 ))
)
3.000 1.100 1.100 peak 2671 weight 0.10000E+01 volume 0.23000E+00 ppm1 1.857 ppm2 3.431
ASSI (
(( segid " " and resid 100 and name HB3 ))
)(
(( segid " " and resid 100 and name HB2 ))
)
2.100 0.600 0.600 peak 2672 weight 0.10000E+01 volume 0.19240E+01 ppm1 1.499 ppm2 2.080
ASSI (
(( segid " " and resid 100 and name HB3 ))
)(
(( segid " " and resid 101 and name HD3 ))
)
2.600 0.800 0.800 peak 2676 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.513 ppm2 3.843
ASSI (
(( segid " " and resid 100 and name HB2 ))
)(
(( segid " " and resid 100 and name HA ))
)
2.800 1.000 1.000 peak 2677 weight 0.10000E+01 volume 0.49200E+00 ppm1 2.083 ppm2 4.890
ASSI (
(( segid " " and resid 100 and name HB3 ))
)(
(( segid " " and resid 100 and name HA ))
)
2.900 1.100 1.100 peak 2678 weight 0.10000E+01 volume 0.37500E+00 ppm1 1.506 ppm2 4.890
ASSI (
(( segid " " and resid 100 and name HB3 ))
)(
(( segid " " and resid 103 and name HD21))
)
3.500 1.500 1.500 peak 2681 weight 0.10000E+01 volume 0.12200E+00 ppm1 1.505 ppm2 8.291
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 22 and name HB ))
)
2.400 0.700 0.700 peak 2686 weight 0.10000E+01 volume 0.94900E+00 ppm1 1.825 ppm2 3.688
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 22 and name H ))
)
3.100 1.200 1.200 peak 2691 weight 0.10000E+01 volume 0.19000E+00 ppm1 1.826 ppm2 9.517
ASSI (
(( segid " " and resid 78 and name HB ))
)(
(( segid " " and resid 78 and name H ))
)
2.300 0.700 0.700 peak 2692 weight 0.10000E+01 volume 0.11530E+01 ppm1 1.831 ppm2 8.997
ASSI (
(( segid " " and resid 54 and name HB ))
)(
(( segid " " and resid 47 and name HB2 ))
)
2.600 0.800 0.800 peak 2694 weight 0.10000E+01 volume 0.48500E+00 ppm1 1.565 ppm2 1.079
ASSI (
(( segid " " and resid 54 and name HB ))
)(
(( segid " " and resid 54 and name HA ))
)
3.000 1.100 1.100 peak 2698 weight 0.10000E+01 volume 0.33900E+00 ppm1 1.561 ppm2 4.856
ASSI (
(( segid " " and resid 54 and name HB ))
)(
(( segid " " and resid 54 and name H ))
)
2.800 1.000 1.000 peak 2699 weight 0.10000E+01 volume 0.34200E+00 ppm1 1.559 ppm2 8.449
ASSI (
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 105 and name HA ))
)
3.000 1.100 1.100 peak 2720 weight 0.10000E+01 volume 0.33400E+00 ppm1 1.710 ppm2 5.366
ASSI (
(( segid " " and resid 105 and name HG3 ))
)(
(( segid " " and resid 105 and name HA ))
)
2.900 1.100 1.100 peak 2721 weight 0.10000E+01 volume 0.38200E+00 ppm1 1.770 ppm2 5.350
ASSI (
(( segid " " and resid 105 and name HG2 ))
)(
(( segid " " and resid 13 and name HZ2 ))
)
3.700 1.700 1.700 peak 2723 weight 0.10000E+01 volume 0.12000E+00 ppm1 1.710 ppm2 6.993
ASSI (
(( segid " " and resid 40 and name HA2 ))
)(
(( segid " " and resid 39 and name HA ))
)
3.200 1.300 1.300 peak 2728 weight 0.10000E+01 volume 0.34200E+00 ppm1 4.408 ppm2 3.467
ASSI (
(( segid " " and resid 42 and name HA ))
)(
(( segid " " and resid 43 and name HA2 ))
)
3.400 1.400 1.400 peak 2729 weight 0.10000E+01 volume 0.24300E+00 ppm1 3.718 ppm2 4.200
ASSI (
(( segid " " and resid 111 and name HB2 ))
)(
(( segid " " and resid 15 and name HA ))
)
2.700 0.900 0.900 peak 2732 weight 0.10000E+01 volume 0.65900E+00 ppm1 2.747 ppm2 5.414
ASSI (
(( segid " " and resid 111 and name HB2 ))
)(
(( segid " " and resid 111 and name H ))
)
2.600 0.800 0.800 peak 2735 weight 0.10000E+01 volume 0.51800E+00 ppm1 2.749 ppm2 9.107
ASSI (
(( segid " " and resid 111 and name HB3 ))
)(
(( segid " " and resid 111 and name HD22))
)
3.100 1.200 1.200 peak 2739 weight 0.10000E+01 volume 0.22200E+00 ppm1 3.372 ppm2 6.689
ASSI (
(( segid " " and resid 111 and name HB3 ))
)(
(( segid " " and resid 111 and name HD21))
)
2.600 0.800 0.800 peak 2740 weight 0.10000E+01 volume 0.66000E+00 ppm1 3.369 ppm2 7.674
ASSI (
(( segid " " and resid 111 and name HB3 ))
)(
(( segid " " and resid 111 and name H ))
)
2.500 0.800 0.800 peak 2742 weight 0.10000E+01 volume 0.73700E+00 ppm1 3.368 ppm2 9.108
ASSI (
(( segid " " and resid 111 and name HB3 ))
)(
(( segid " " and resid 16 and name H ))
)
3.400 1.400 1.400 peak 2745 weight 0.10000E+01 volume 0.10800E+00 ppm1 3.366 ppm2 8.872
ASSI (
(( segid " " and resid 85 and name HA ))
)(
(( segid " " and resid 111 and name HA ))
)
2.900 1.100 1.100 peak 2747 weight 0.10000E+01 volume 0.66700E+00 ppm1 5.254 ppm2 4.781
ASSI (
(( segid " " and resid 36 and name HA ))
)(
(( segid " " and resid 92 and name HA ))
)
2.800 1.000 1.000 peak 2748 weight 0.10000E+01 volume 0.82000E+00 ppm1 5.163 ppm2 4.371
ASSI (
(( segid " " and resid 13 and name HA ))
)(
(( segid " " and resid 109 and name HB3 ))
)
2.100 0.600 0.600 peak 2755 weight 0.10000E+01 volume 0.31110E+01 ppm1 5.148 ppm2 2.274
ASSI (
(( segid " " and resid 38 and name HG2 ))
)(
(( segid " " and resid 38 and name HE ))
)
2.800 1.000 1.000 peak 2759 weight 0.10000E+01 volume 0.36300E+00 ppm1 1.988 ppm2 7.447
ASSI (
(( segid " " and resid 36 and name HA ))
)(
(( segid " " and resid 93 and name H ))
)
3.400 1.400 1.400 peak 2763 weight 0.10000E+01 volume 0.16800E+00 ppm1 5.170 ppm2 8.198
ASSI (
(( segid " " and resid 13 and name HE1 ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)
3.600 1.600 1.600 peak 5 weight 0.10000E+01 volume 0.13400E+00 ppm1 9.934 ppm2 2.484
ASSI (
(( segid " " and resid 22 and name H ))
)(
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
2.700 0.900 0.900 peak 11 weight 0.10000E+01 volume 0.17540E+01 ppm1 9.509 ppm2 1.053
ASSI (
(( segid " " and resid 22 and name H ))
)(
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 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))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
)
3.500 1.500 1.500 peak 12 weight 0.10000E+01 volume 0.35500E+00 ppm1 9.511 ppm2 0.789
ASSI (
(( segid " " and resid 76 and name H ))
)(
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
3.000 1.100 1.100 peak 17 weight 0.10000E+01 volume 0.93400E+00 ppm1 9.185 ppm2 0.778
ASSI (
(( segid " " and resid 76 and name H ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
)
2.600 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.18730E+01 ppm1 9.193 ppm2 0.554
ASSI (
(( segid " " and resid 76 and name H ))
OR
(( segid " " and resid 36 and name HE1 ))
)(
(( segid " " and resid 26 and name HB3 ))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
3.300 1.400 1.400 peak 20 weight 0.10000E+01 volume 0.37200E+00 ppm1 9.230 ppm2 0.329
ASSI (
(( segid " " and resid 88 and name H ))
)(
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
)
2.800 1.000 1.000 peak 25 weight 0.10000E+01 volume 0.12230E+01 ppm1 9.217 ppm2 0.687
ASSI (
(( segid " " and resid 24 and name H ))
)(
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.900 1.100 1.100 peak 35 weight 0.10000E+01 volume 0.11670E+01 ppm1 9.285 ppm2 0.741
ASSI (
(( segid " " and resid 24 and name H ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.600 1.600 1.600 peak 36 weight 0.10000E+01 volume 0.28500E+00 ppm1 9.291 ppm2 0.548
ASSI (
(( segid " " and resid 24 and name H ))
)(
(( segid " " and resid 25 and name H ))
OR
(( segid " " and resid 23 and name H ))
)
3.300 1.400 1.400 peak 37 weight 0.10000E+01 volume 0.26300E+00 ppm1 9.277 ppm2 8.745
ASSI (
(( segid " " and resid 79 and name H ))
)(
(( segid " " and resid 80 and name HB3 ))
OR
(( segid " " and resid 53 and name HG2 ))
OR
(( segid " " and resid 53 and name HB3 ))
)
2.900 1.100 1.100 peak 45 weight 0.10000E+01 volume 0.51300E+00 ppm1 9.069 ppm2 2.184
ASSI (
(( segid " " and resid 79 and name H ))
OR
(( segid " " and resid 57 and name H ))
)(
(( segid " " and resid 55 and name HB ))
OR
(( segid " " and resid 53 and name HB2 ))
)
2.700 0.900 0.900 peak 46 weight 0.10000E+01 volume 0.71900E+00 ppm1 9.060 ppm2 1.916
ASSI (
(( segid " " and resid 79 and name H ))
OR
(( segid " " and resid 57 and name H ))
)(
(( segid " " and resid 79 and name HB2 ))
OR
(( segid " " and resid 57 and name HD3 ))
OR
(( segid " " and resid 57 and name HD2 ))
)
2.400 0.700 0.700 peak 47 weight 0.10000E+01 volume 0.16480E+01 ppm1 9.064 ppm2 1.605
ASSI (
(( segid " " and resid 79 and name H ))
OR
(( segid " " and resid 57 and name H ))
)(
(( segid " " and resid 78 and name HG23))
OR
(( segid " " and resid 78 and name HG22))
OR
(( segid " " and resid 78 and name HG21))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
2.700 0.900 0.900 peak 48 weight 0.10000E+01 volume 0.17930E+01 ppm1 9.060 ppm2 0.796
ASSI (
(( segid " " and resid 57 and name H ))
)(
(( segid " " and resid 74 and name HA ))
OR
(( segid " " and resid 57 and name HA ))
)
2.400 0.700 0.700 peak 51 weight 0.10000E+01 volume 0.19360E+01 ppm1 9.030 ppm2 4.882
ASSI (
(( segid " " and resid 79 and name H ))
OR
(( segid " " and resid 57 and name H ))
)(
(( 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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
3.300 1.400 1.400 peak 54 weight 0.10000E+01 volume 0.50100E+00 ppm1 9.033 ppm2 0.951
ASSI (
(( segid " " and resid 57 and name H ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG21))
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 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)
2.900 1.100 1.100 peak 55 weight 0.10000E+01 volume 0.10210E+01 ppm1 9.030 ppm2 0.561
ASSI (
(( segid " " and resid 58 and name H ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
3.500 1.500 1.500 peak 57 weight 0.10000E+01 volume 0.20500E+00 ppm1 9.076 ppm2 6.155
ASSI (
(( segid " " and resid 56 and name H ))
)(
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 57 and name HB3 ))
OR
(( segid " " and resid 47 and name HG ))
)
2.900 1.100 1.100 peak 62 weight 0.10000E+01 volume 0.49400E+00 ppm1 9.127 ppm2 1.697
ASSI (
(( segid " " and resid 109 and name H ))
OR
(( segid " " and resid 56 and name H ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 57 and name HB3 ))
OR
(( segid " " and resid 38 and name HG2 ))
OR
(( segid " " and resid 12 and name HD3 ))
OR
(( segid " " and resid 12 and name HD2 ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)
3.100 1.200 1.200 peak 70 weight 0.10000E+01 volume 0.32400E+00 ppm1 9.164 ppm2 1.736
ASSI (
(( segid " " and resid 56 and name H ))
)(
(( 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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
OR
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
)
2.600 0.800 0.800 peak 71 weight 0.10000E+01 volume 0.20620E+01 ppm1 9.141 ppm2 0.917
ASSI (
(( segid " " and resid 109 and name H ))
)(
(( segid " " and resid 109 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
)
3.200 1.300 1.300 peak 75 weight 0.10000E+01 volume 0.30000E+00 ppm1 9.162 ppm2 2.001
ASSI (
(( segid " " and resid 109 and name H ))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
)
2.800 1.000 1.000 peak 76 weight 0.10000E+01 volume 0.69200E+00 ppm1 9.170 ppm2 1.274
ASSI (
(( segid " " and resid 77 and name H ))
OR
(( segid " " and resid 13 and name H ))
)(
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 12 and name HD2 ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 12 and name HB2 ))
)
2.500 0.800 0.800 peak 87 weight 0.10000E+01 volume 0.14350E+01 ppm1 8.928 ppm2 1.713
ASSI (
(( segid " " and resid 77 and name H ))
OR
(( segid " " and resid 13 and name H ))
)(
(( 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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
3.100 1.200 1.200 peak 90 weight 0.10000E+01 volume 0.75700E+00 ppm1 8.928 ppm2 0.929
ASSI (
(( segid " " and resid 77 and name H ))
OR
(( segid " " and resid 13 and name H ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 77 and name HD23))
OR
(( segid " " and resid 77 and name HD22))
OR
(( segid " " and resid 77 and name HD21))
OR
(( segid " " and resid 75 and name HG23))
OR
(( segid " " and resid 75 and name HG22))
OR
(( segid " " and resid 75 and name HG21))
)
2.900 1.100 1.100 peak 91 weight 0.10000E+01 volume 0.11240E+01 ppm1 8.922 ppm2 0.772
ASSI (
(( segid " " and resid 77 and name H ))
)(
(( segid " " and resid 76 and name HG23))
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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.600 0.800 0.800 peak 92 weight 0.10000E+01 volume 0.20160E+01 ppm1 8.922 ppm2 0.562
ASSI (
(( segid " " and resid 104 and name H ))
)(
(( segid " " and resid 103 and name HD22))
OR
(( segid " " and resid 103 and name H ))
)
2.900 1.100 1.100 peak 94 weight 0.10000E+01 volume 0.56600E+00 ppm1 9.220 ppm2 7.774
ASSI (
(( segid " " and resid 104 and name H ))
)(
(( segid " " and resid 104 and name HG3 ))
OR
(( segid " " and resid 104 and name HG2 ))
)
2.800 1.000 1.000 peak 97 weight 0.10000E+01 volume 0.66000E+00 ppm1 9.222 ppm2 2.471
ASSI (
(( segid " " and resid 23 and name H ))
)(
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)
2.400 0.700 0.700 peak 102 weight 0.10000E+01 volume 0.17020E+01 ppm1 8.738 ppm2 1.777
ASSI (
(( segid " " and resid 23 and name H ))
)(
(( segid " " and resid 22 and name HG23))
OR
(( segid " " and resid 22 and name HG22))
OR
(( segid " " and resid 22 and name HG21))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
2.800 1.000 1.000 peak 104 weight 0.10000E+01 volume 0.13250E+01 ppm1 8.735 ppm2 1.082
ASSI (
(( segid " " and resid 39 and name H ))
)(
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)
2.600 0.800 0.800 peak 107 weight 0.10000E+01 volume 0.20110E+01 ppm1 8.661 ppm2 0.918
ASSI (
(( segid " " and resid 89 and name H ))
OR
(( segid " " and resid 39 and name H ))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 39 and name HB ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.100 0.600 0.600 peak 108 weight 0.10000E+01 volume 0.35240E+01 ppm1 8.666 ppm2 2.024
ASSI (
(( segid " " and resid 39 and name H ))
)(
(( segid " " and resid 91 and name HB ))
OR
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.900 1.100 1.100 peak 109 weight 0.10000E+01 volume 0.48800E+00 ppm1 8.666 ppm2 1.778
ASSI (
(( segid " " and resid 89 and name H ))
)(
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
)
2.700 0.900 0.900 peak 111 weight 0.10000E+01 volume 0.17250E+01 ppm1 8.674 ppm2 0.794
ASSI (
(( segid " " and resid 89 and name H ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
)
2.500 0.800 0.800 peak 112 weight 0.10000E+01 volume 0.28220E+01 ppm1 8.675 ppm2 0.696
ASSI (
(( segid " " and resid 108 and name H ))
OR
(( segid " " and resid 89 and name H ))
)(
(( segid " " and resid 90 and name H ))
OR
(( segid " " and resid 88 and name H ))
)
2.900 1.100 1.100 peak 113 weight 0.10000E+01 volume 0.51800E+00 ppm1 8.688 ppm2 9.214
ASSI (
(( segid " " and resid 15 and name H ))
)(
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
2.900 1.100 1.100 peak 118 weight 0.10000E+01 volume 0.95200E+00 ppm1 8.754 ppm2 0.894
ASSI (
(( segid " " and resid 108 and name H ))
)(
(( segid " " and resid 108 and name HG ))
OR
(( segid " " and resid 108 and name HB3 ))
)
2.600 0.800 0.800 peak 122 weight 0.10000E+01 volume 0.10780E+01 ppm1 8.730 ppm2 1.257
ASSI (
(( segid " " and resid 108 and name H ))
)(
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
)
3.200 1.300 1.300 peak 123 weight 0.10000E+01 volume 0.58900E+00 ppm1 8.729 ppm2 0.701
ASSI (
(( segid " " and resid 54 and name H ))
)(
(( segid " " and resid 55 and name HB ))
OR
(( segid " " and resid 53 and name HG3 ))
OR
(( segid " " and resid 53 and name HB2 ))
)
3.000 1.100 1.100 peak 130 weight 0.10000E+01 volume 0.45200E+00 ppm1 8.458 ppm2 1.937
ASSI (
(( segid " " and resid 54 and name H ))
)(
(( segid " " and resid 54 and name HB ))
OR
(( segid " " and resid 52 and name HB2 ))
)
2.800 1.000 1.000 peak 131 weight 0.10000E+01 volume 0.67200E+00 ppm1 8.454 ppm2 1.554
ASSI (
(( segid " " and resid 92 and name H ))
)(
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 91 and name HB ))
)
3.300 1.400 1.400 peak 138 weight 0.10000E+01 volume 0.24300E+00 ppm1 8.124 ppm2 1.787
ASSI (
(( segid " " and resid 100 and name H ))
)(
(( segid " " and resid 100 and name HD3 ))
OR
(( segid " " and resid 100 and name HD2 ))
OR
(( segid " " and resid 99 and name HB ))
)
2.900 1.100 1.100 peak 146 weight 0.10000E+01 volume 0.51600E+00 ppm1 7.739 ppm2 1.635
ASSI (
(( segid " " and resid 100 and name H ))
)(
(( segid " " and resid 100 and name HG3 ))
OR
(( segid " " and resid 100 and name HG2 ))
)
2.600 0.800 0.800 peak 147 weight 0.10000E+01 volume 0.11140E+01 ppm1 7.744 ppm2 1.456
ASSI (
(( segid " " and resid 100 and name H ))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
)
2.800 1.000 1.000 peak 148 weight 0.10000E+01 volume 0.12850E+01 ppm1 7.737 ppm2 0.814
ASSI (
(( segid " " and resid 94 and name H ))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)
3.300 1.400 1.400 peak 154 weight 0.10000E+01 volume 0.46000E+00 ppm1 8.210 ppm2 0.660
ASSI (
(( segid " " and resid 94 and name H ))
)(
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
3.500 1.500 1.500 peak 155 weight 0.10000E+01 volume 0.35100E+00 ppm1 8.214 ppm2 0.886
ASSI (
(( segid " " and resid 107 and name H ))
)(
(( segid " " and resid 107 and name HA ))
OR
(( segid " " and resid 11 and name HA ))
)
2.700 0.900 0.900 peak 157 weight 0.10000E+01 volume 0.86200E+00 ppm1 7.971 ppm2 4.954
ASSI (
(( segid " " and resid 107 and name H ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)
3.100 1.200 1.200 peak 160 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.965 ppm2 2.489
ASSI (
(( segid " " and resid 55 and name H ))
)(
(( segid " " and resid 77 and name HB2 ))
OR
(( segid " " and resid 76 and name HB ))
)
3.000 1.100 1.100 peak 165 weight 0.10000E+01 volume 0.41500E+00 ppm1 8.584 ppm2 1.706
ASSI (
(( segid " " and resid 55 and name H ))
)(
(( 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 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
)
2.800 1.000 1.000 peak 166 weight 0.10000E+01 volume 0.11740E+01 ppm1 8.602 ppm2 0.934
ASSI (
(( segid " " and resid 55 and name H ))
)(
(( 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 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
)
2.600 0.800 0.800 peak 167 weight 0.10000E+01 volume 0.21930E+01 ppm1 8.604 ppm2 0.546
ASSI (
(( segid " " and resid 59 and name H ))
)(
(( segid " " and resid 58 and name HD2 ))
OR
(( segid " " and resid 58 and name HD1 ))
)
2.700 0.900 0.900 peak 172 weight 0.10000E+01 volume 0.91400E+00 ppm1 8.451 ppm2 6.160
ASSI (
(( segid " " and resid 59 and name H ))
)(
(( segid " " and resid 74 and name HA ))
OR
(( segid " " and resid 57 and name HA ))
)
2.900 1.100 1.100 peak 173 weight 0.10000E+01 volume 0.62100E+00 ppm1 8.457 ppm2 4.883
ASSI (
(( segid " " and resid 59 and name H ))
)(
(( segid " " and resid 59 and name HG23))
OR
(( segid " " and resid 59 and name HG22))
OR
(( segid " " and resid 59 and name HG21))
)
3.600 1.600 1.600 peak 176 weight 0.10000E+01 volume 0.26600E+00 ppm1 8.459 ppm2 0.979
ASSI (
(( segid " " and resid 47 and name H ))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 38 and name HB2 ))
)
2.400 0.700 0.700 peak 178 weight 0.10000E+01 volume 0.15420E+01 ppm1 8.842 ppm2 1.651
ASSI (
(( segid " " and resid 47 and name H ))
)(
(( segid " " and resid 46 and name HG23))
OR
(( segid " " and resid 46 and name HG22))
OR
(( segid " " and resid 46 and name HG21))
)
2.800 1.000 1.000 peak 179 weight 0.10000E+01 volume 0.12900E+01 ppm1 8.849 ppm2 1.124
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)
3.100 1.200 1.200 peak 180 weight 0.10000E+01 volume 0.71600E+00 ppm1 8.923 ppm2 0.641
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
OR
(( segid " " and resid 25 and name HD2 ))
)
3.400 1.400 1.400 peak 185 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.931 ppm2 6.910
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 73 and name HA ))
OR
(( segid " " and resid 27 and name HA ))
)
3.300 1.400 1.400 peak 189 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.937 ppm2 4.836
ASSI (
(( segid " " and resid 75 and name H ))
OR
(( segid " " and resid 47 and name H ))
)(
(( segid " " and resid 75 and name HA ))
OR
(( segid " " and resid 46 and name HA ))
)
2.100 0.600 0.600 peak 192 weight 0.10000E+01 volume 0.40140E+01 ppm1 8.847 ppm2 4.306
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 74 and name HB2 ))
OR
(( segid " " and resid 25 and name HB2 ))
)
2.900 1.100 1.100 peak 195 weight 0.10000E+01 volume 0.51300E+00 ppm1 8.927 ppm2 2.750
ASSI (
(( segid " " and resid 112 and name H ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
)
2.600 0.800 0.800 peak 196 weight 0.10000E+01 volume 0.20130E+01 ppm1 8.775 ppm2 0.881
ASSI (
(( segid " " and resid 47 and name H ))
)(
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
2.800 1.000 1.000 peak 197 weight 0.10000E+01 volume 0.13780E+01 ppm1 8.853 ppm2 0.847
ASSI (
(( segid " " and resid 75 and name H ))
)(
(( segid " " and resid 76 and name HG23))
OR
(( segid " " and resid 76 and name HG21))
OR
(( segid " " and resid 75 and name HG13))
OR
(( segid " " and resid 75 and name HG12))
OR
(( segid " " and resid 75 and name HG11))
)
2.800 1.000 1.000 peak 198 weight 0.10000E+01 volume 0.11800E+01 ppm1 8.847 ppm2 0.539
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
OR
(( segid " " and resid 26 and name HB2 ))
)
2.600 0.800 0.800 peak 199 weight 0.10000E+01 volume 0.11570E+01 ppm1 8.923 ppm2 0.506
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 26 and name HB3 ))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG21))
)
2.800 1.000 1.000 peak 200 weight 0.10000E+01 volume 0.65300E+00 ppm1 8.928 ppm2 0.357
ASSI (
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 25 and name H ))
)(
(( segid " " and resid 111 and name HB2 ))
OR
(( segid " " and resid 25 and name HB2 ))
)
2.500 0.800 0.800 peak 204 weight 0.10000E+01 volume 0.11380E+01 ppm1 8.739 ppm2 2.749
ASSI (
(( segid " " and resid 25 and name H ))
)(
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
OR
(( segid " " and resid 26 and name HB2 ))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.100 1.200 1.200 peak 205 weight 0.10000E+01 volume 0.58500E+00 ppm1 8.738 ppm2 0.514
ASSI (
(( segid " " and resid 25 and name H ))
)(
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG22))
OR
(( segid " " and resid 24 and name HG21))
)
2.900 1.100 1.100 peak 206 weight 0.10000E+01 volume 0.11290E+01 ppm1 8.742 ppm2 0.321
ASSI (
(( segid " " and resid 111 and name H ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
3.300 1.400 1.400 peak 214 weight 0.10000E+01 volume 0.49700E+00 ppm1 9.097 ppm2 0.887
ASSI (
(( segid " " and resid 90 and name H ))
)(
(( segid " " and resid 89 and name HG2 ))
OR
(( segid " " and resid 89 and name HB2 ))
OR
(( segid " " and resid 39 and name HB ))
OR
(( segid " " and resid 38 and name HG2 ))
)
2.700 0.900 0.900 peak 215 weight 0.10000E+01 volume 0.89200E+00 ppm1 9.193 ppm2 2.023
ASSI (
(( segid " " and resid 110 and name H ))
)(
(( segid " " and resid 109 and name HB2 ))
OR
(( segid " " and resid 88 and name HB2 ))
)
3.300 1.400 1.400 peak 216 weight 0.10000E+01 volume 0.22700E+00 ppm1 9.093 ppm2 2.008
ASSI (
(( segid " " and resid 90 and name H ))
)(
(( segid " " and resid 90 and name HD23))
OR
(( segid " " and resid 90 and name HD22))
OR
(( segid " " and resid 90 and name HD21))
OR
(( segid " " and resid 87 and name HG21))
)
3.200 1.300 1.300 peak 220 weight 0.10000E+01 volume 0.53800E+00 ppm1 9.199 ppm2 0.673
ASSI (
(( segid " " and resid 90 and name H ))
)(
(( segid " " and resid 90 and name HD13))
OR
(( segid " " and resid 90 and name HD12))
OR
(( segid " " and resid 90 and name HD11))
OR
(( segid " " and resid 76 and name HG22))
OR
(( segid " " and resid 76 and name HG13))
OR
(( segid " " and resid 54 and name HG13))
OR
(( segid " " and resid 54 and name HG12))
OR
(( segid " " and resid 54 and name HG11))
OR
(( segid " " and resid 24 and name HD13))
OR
(( segid " " and resid 24 and name HD12))
OR
(( segid " " and resid 24 and name HD11))
)
3.100 1.200 1.200 peak 221 weight 0.10000E+01 volume 0.64700E+00 ppm1 9.184 ppm2 0.538
ASSI (
(( segid " " and resid 110 and name H ))
)(
(( segid " " and resid 110 and name HD23))
OR
(( segid " " and resid 110 and name HD22))
OR
(( segid " " and resid 110 and name HD21))
OR
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
)
2.900 1.100 1.100 peak 223 weight 0.10000E+01 volume 0.11270E+01 ppm1 9.087 ppm2 0.736
ASSI (
(( segid " " and resid 49 and name H ))
)(
(( segid " " and resid 50 and name HA ))
OR
(( segid " " and resid 48 and name HB3 ))
)
2.900 1.100 1.100 peak 227 weight 0.10000E+01 volume 0.55100E+00 ppm1 8.907 ppm2 4.052
ASSI (
(( segid " " and resid 78 and name H ))
)(
(( segid " " and resid 79 and name HG3 ))
OR
(( segid " " and resid 79 and name HG2 ))
OR
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
3.100 1.200 1.200 peak 234 weight 0.10000E+01 volume 0.62100E+00 ppm1 8.998 ppm2 1.039
ASSI (
(( segid " " and resid 78 and name H ))
)(
(( segid " " and resid 78 and name HG13))
OR
(( segid " " and resid 78 and name HG12))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 77 and name HD13))
OR
(( segid " " and resid 77 and name HD12))
OR
(( segid " " and resid 77 and name HD11))
)
2.600 0.800 0.800 peak 235 weight 0.10000E+01 volume 0.22080E+01 ppm1 8.995 ppm2 0.760
ASSI (
(( segid " " and resid 74 and name H ))
)(
(( segid " " and resid 73 and name HG23))
OR
(( segid " " and resid 73 and name HG22))
OR
(( segid " " and resid 73 and name HG21))
)
3.600 1.600 1.600 peak 243 weight 0.10000E+01 volume 0.26900E+00 ppm1 9.424 ppm2 0.662
ASSI (
(( segid " " and resid 74 and name H ))
)(
(( segid " " and resid 73 and name HD13))
OR
(( segid " " and resid 73 and name HD12))
OR
(( segid " " and resid 73 and name HD11))
OR
(( segid " " and resid 26 and name HB2 ))
)
3.300 1.400 1.400 peak 244 weight 0.10000E+01 volume 0.42900E+00 ppm1 9.424 ppm2 0.487
ASSI (
(( segid " " and resid 53 and name H ))
OR
(( segid " " and resid 8 and name H ))
)(
(( segid " " and resid 53 and name HB3 ))
OR
(( segid " " and resid 7 and name HB ))
)
2.600 0.800 0.800 peak 246 weight 0.10000E+01 volume 0.95500E+00 ppm1 8.430 ppm2 2.166
ASSI (
(( segid " " and resid 53 and name H ))
)(
(( segid " " and resid 53 and name HG3 ))
OR
(( segid " " and resid 53 and name HB2 ))
)
2.600 0.800 0.800 peak 247 weight 0.10000E+01 volume 0.99700E+00 ppm1 8.431 ppm2 1.936
ASSI (
(( segid " " and resid 53 and name H ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
OR
(( segid " " and resid 79 and name HB3 ))
OR
(( segid " " and resid 52 and name HB2 ))
)
2.800 1.000 1.000 peak 248 weight 0.10000E+01 volume 0.65300E+00 ppm1 8.429 ppm2 1.582
ASSI (
(( segid " " and resid 53 and name H ))
)(
(( segid " " and resid 110 and name HD13))
OR
(( segid " " and resid 110 and name HD12))
OR
(( segid " " and resid 110 and name HD11))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
2.900 1.100 1.100 peak 250 weight 0.10000E+01 volume 0.10310E+01 ppm1 8.424 ppm2 0.714
ASSI (
(( segid " " and resid 53 and name H ))
OR
(( segid " " and resid 8 and name H ))
)(
(( segid " " and resid 82 and name HA ))
OR
(( segid " " and resid 49 and name HA ))
OR
(( segid " " and resid 10 and name HA ))
OR
(( segid " " and resid 9 and name HA ))
)
3.100 1.200 1.200 peak 253 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.473 ppm2 4.727
ASSI (
(( segid " " and resid 8 and name H ))
)(
(( segid " " and resid 8 and name HG3 ))
OR
(( segid " " and resid 8 and name HG2 ))
)
3.100 1.200 1.200 peak 257 weight 0.10000E+01 volume 0.36700E+00 ppm1 8.472 ppm2 1.451
ASSI (
(( segid " " and resid 38 and name H ))
)(
(( segid " " and resid 41 and name HB3 ))
OR
(( segid " " and resid 39 and name HA ))
)
3.100 1.200 1.200 peak 260 weight 0.10000E+01 volume 0.37500E+00 ppm1 8.030 ppm2 3.502
ASSI (
(( segid " " and resid 38 and name H ))
)(
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
3.000 1.100 1.100 peak 266 weight 0.10000E+01 volume 0.83500E+00 ppm1 8.020 ppm2 1.030
ASSI (
(( segid " " and resid 106 and name H ))
OR
(( segid " " and resid 1 and name H ))
)(
(( segid " " and resid 106 and name HA ))
OR
(( segid " " and resid 0 and name HA ))
)
3.100 1.200 1.200 peak 273 weight 0.10000E+01 volume 0.37200E+00 ppm1 8.452 ppm2 4.682
ASSI (
(( segid " " and resid 106 and name H ))
OR
(( segid " " and resid 1 and name H ))
)(
(( segid " " and resid 106 and name HB3 ))
OR
(( segid " " and resid 1 and name HG3 ))
OR
(( segid " " and resid 1 and name HG2 ))
)
3.100 1.200 1.200 peak 274 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.453 ppm2 2.541
ASSI (
(( segid " " and resid 106 and name H ))
OR
(( segid " " and resid 1 and name H ))
)(
(( segid " " and resid 105 and name HB3 ))
OR
(( segid " " and resid 1 and name HB3 ))
)
2.700 0.900 0.900 peak 275 weight 0.10000E+01 volume 0.73200E+00 ppm1 8.456 ppm2 2.106
ASSI (
(( segid " " and resid 106 and name H ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HB2 ))
)
2.500 0.800 0.800 peak 276 weight 0.10000E+01 volume 0.11910E+01 ppm1 8.455 ppm2 1.756
ASSI (
(( segid " " and resid 12 and name H ))
)(
(( segid " " and resid 108 and name HA ))
OR
(( segid " " and resid 12 and name HA ))
)
2.900 1.100 1.100 peak 283 weight 0.10000E+01 volume 0.61800E+00 ppm1 8.141 ppm2 4.704
ASSI (
(( segid " " and resid 12 and name H ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)
2.700 0.900 0.900 peak 284 weight 0.10000E+01 volume 0.81600E+00 ppm1 8.146 ppm2 2.461
ASSI (
(( segid " " and resid 68 and name H ))
)(
(( segid " " and resid 68 and name HG23))
OR
(( segid " " and resid 68 and name HG22))
OR
(( segid " " and resid 68 and name HG21))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
OR
(( segid " " and resid 68 and name HG11))
)
2.900 1.100 1.100 peak 290 weight 0.10000E+01 volume 0.98200E+00 ppm1 8.047 ppm2 0.952
ASSI (
(( segid " " and resid 93 and name H ))
)(
(( segid " " and resid 93 and name HG23))
OR
(( segid " " and resid 93 and name HG22))
OR
(( segid " " and resid 93 and name HG21))
)
2.900 1.100 1.100 peak 297 weight 0.10000E+01 volume 0.10140E+01 ppm1 8.208 ppm2 0.650
ASSI (
(( segid " " and resid 105 and name H ))
)(
(( segid " " and resid 104 and name HG3 ))
OR
(( segid " " and resid 104 and name HG2 ))
)
3.100 1.200 1.200 peak 307 weight 0.10000E+01 volume 0.37500E+00 ppm1 8.519 ppm2 2.468
ASSI (
(( segid " " and resid 86 and name H ))
OR
(( segid " " and resid 21 and name H ))
)(
(( segid " " and resid 85 and name HB3 ))
OR
(( segid " " and resid 85 and name HB2 ))
OR
(( segid " " and resid 20 and name HE2 ))
)
2.700 0.900 0.900 peak 309 weight 0.10000E+01 volume 0.76300E+00 ppm1 8.778 ppm2 3.030
ASSI (
(( segid " " and resid 86 and name H ))
OR
(( segid " " and resid 21 and name H ))
)(
(( segid " " and resid 52 and name HG ))
OR
(( segid " " and resid 20 and name HD3 ))
)
3.200 1.300 1.300 peak 313 weight 0.10000E+01 volume 0.30200E+00 ppm1 8.800 ppm2 1.454
ASSI (
(( segid " " and resid 21 and name H ))
)(
(( segid " " and resid 21 and name HG23))
OR
(( segid " " and resid 21 and name HG22))
OR
(( segid " " and resid 21 and name HG21))
)
3.300 1.400 1.400 peak 315 weight 0.10000E+01 volume 0.49900E+00 ppm1 8.799 ppm2 1.054
ASSI (
(( segid " " and resid 27 and name H ))
)(
(( segid " " and resid 26 and name HB3 ))
OR
(( segid " " and resid 24 and name HG23))
OR
(( segid " " and resid 24 and name HG21))
)
2.700 0.900 0.900 peak 321 weight 0.10000E+01 volume 0.90600E+00 ppm1 8.719 ppm2 0.351
ASSI (
(( segid " " and resid 27 and name H ))
)(
(( segid " " and resid 26 and name HD23))
OR
(( segid " " and resid 26 and name HD22))
OR
(( segid " " and resid 26 and name HD21))
)
3.200 1.300 1.300 peak 322 weight 0.10000E+01 volume 0.62400E+00 ppm1 8.719 ppm2 -0.359
ASSI (
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 27 and name H ))
)(
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 83 and name HB3 ))
OR
(( segid " " and resid 27 and name HD3 ))
)
2.200 0.600 0.600 peak 324 weight 0.10000E+01 volume 0.28780E+01 ppm1 8.720 ppm2 1.742
ASSI (
(( segid " " and resid 83 and name H ))
)(
(( segid " " and resid 83 and name HG3 ))
OR
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
OR
(( segid " " and resid 82 and name HB3 ))
)
2.400 0.700 0.700 peak 325 weight 0.10000E+01 volume 0.16310E+01 ppm1 8.722 ppm2 1.515
ASSI (
(( segid " " and resid 83 and name H ))
OR
(( segid " " and resid 18 and name H ))
)(
(( segid " " and resid 83 and name HD3 ))
OR
(( segid " " and resid 83 and name HD2 ))
OR
(( segid " " and resid 18 and name HA ))
)
3.100 1.200 1.200 peak 328 weight 0.10000E+01 volume 0.38500E+00 ppm1 8.724 ppm2 3.244
ASSI (
(( segid " " and resid 18 and name H ))
)(
(( segid " " and resid 113 and name H ))
OR
(( segid " " and resid 19 and name H ))
)
3.400 1.400 1.400 peak 329 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.700 ppm2 8.354
ASSI (
(( segid " " and resid 18 and name H ))
)(
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.600 0.800 0.800 peak 335 weight 0.10000E+01 volume 0.22350E+01 ppm1 8.689 ppm2 0.804
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
3.700 1.700 1.700 peak 337 weight 0.10000E+01 volume 0.23400E+00 ppm1 8.825 ppm2 0.699
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 109 and name HA ))
OR
(( segid " " and resid 14 and name HA ))
)
3.100 1.200 1.200 peak 341 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.825 ppm2 4.568
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 109 and name HB2 ))
OR
(( segid " " and resid 14 and name HB ))
)
2.700 0.900 0.900 peak 343 weight 0.10000E+01 volume 0.88500E+00 ppm1 8.828 ppm2 2.023
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
3.000 1.100 1.100 peak 344 weight 0.10000E+01 volume 0.89600E+00 ppm1 8.830 ppm2 0.892
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
2.700 0.900 0.900 peak 349 weight 0.10000E+01 volume 0.90500E+00 ppm1 8.622 ppm2 7.243
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 41 and name HB3 ))
OR
(( segid " " and resid 39 and name HA ))
)
2.800 1.000 1.000 peak 352 weight 0.10000E+01 volume 0.71200E+00 ppm1 8.627 ppm2 3.463
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
OR
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
3.100 1.200 1.200 peak 354 weight 0.10000E+01 volume 0.71100E+00 ppm1 8.629 ppm2 1.008
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
3.100 1.200 1.200 peak 355 weight 0.10000E+01 volume 0.72300E+00 ppm1 8.632 ppm2 0.906
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 42 and name HB ))
OR
(( segid " " and resid 39 and name HB ))
)
3.200 1.300 1.300 peak 358 weight 0.10000E+01 volume 0.28400E+00 ppm1 8.635 ppm2 2.029
ASSI (
(( segid " " and resid 61 and name H ))
)(
(( segid " " and resid 60 and name HB3 ))
OR
(( segid " " and resid 30 and name HB3 ))
)
3.100 1.200 1.200 peak 361 weight 0.10000E+01 volume 0.36200E+00 ppm1 8.596 ppm2 2.307
ASSI (
(( segid " " and resid 61 and name H ))
)(
(( segid " " and resid 61 and name HG23))
OR
(( segid " " and resid 61 and name HG22))
OR
(( segid " " and resid 61 and name HG21))
)
3.800 1.800 1.800 peak 362 weight 0.10000E+01 volume 0.22200E+00 ppm1 8.598 ppm2 1.185
ASSI (
(( segid " " and resid 42 and name H ))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
3.200 1.300 1.300 peak 373 weight 0.10000E+01 volume 0.55500E+00 ppm1 7.790 ppm2 0.848
ASSI (
(( segid " " and resid 103 and name H ))
)(
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 101 and name HA ))
)
3.000 1.100 1.100 peak 377 weight 0.10000E+01 volume 0.44900E+00 ppm1 7.780 ppm2 4.213
ASSI (
(( segid " " and resid 103 and name H ))
)(
(( segid " " and resid 102 and name HG3 ))
OR
(( segid " " and resid 102 and name HG2 ))
)
2.900 1.100 1.100 peak 380 weight 0.10000E+01 volume 0.48000E+00 ppm1 7.776 ppm2 2.316
ASSI (
(( segid " " and resid 103 and name H ))
)(
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 100 and name HB2 ))
)
2.800 1.000 1.000 peak 381 weight 0.10000E+01 volume 0.69700E+00 ppm1 7.780 ppm2 2.051
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 80 and name HD2 ))
OR
(( segid " " and resid 20 and name HA ))
)
2.600 0.800 0.800 peak 384 weight 0.10000E+01 volume 0.11030E+01 ppm1 7.623 ppm2 4.503
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 83 and name HG3 ))
OR
(( segid " " and resid 79 and name HD3 ))
OR
(( segid " " and resid 79 and name HD2 ))
OR
(( segid " " and resid 52 and name HG ))
OR
(( segid " " and resid 20 and name HD3 ))
)
2.900 1.100 1.100 peak 390 weight 0.10000E+01 volume 0.50000E+00 ppm1 7.619 ppm2 1.478
ASSI (
(( segid " " and resid 46 and name H ))
)(
(( segid " " and resid 45 and name HA ))
OR
(( segid " " and resid 44 and name HA ))
)
2.600 0.800 0.800 peak 397 weight 0.10000E+01 volume 0.97600E+00 ppm1 7.630 ppm2 4.625
ASSI (
(( segid " " and resid 97 and name H ))
)(
(( segid " " and resid 97 and name HG3 ))
OR
(( segid " " and resid 97 and name HG2 ))
OR
(( segid " " and resid 95 and name HB3 ))
)
2.500 0.800 0.800 peak 408 weight 0.10000E+01 volume 0.13180E+01 ppm1 7.055 ppm2 2.073
ASSI (
(( segid " " and resid 36 and name H ))
)(
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
)
3.200 1.300 1.300 peak 410 weight 0.10000E+01 volume 0.36800E+00 ppm1 5.829 ppm2 6.942
ASSI (
(( segid " " and resid 36 and name H ))
)(
(( segid " " and resid 35 and name HG2 ))
OR
(( segid " " and resid 35 and name HB3 ))
)
2.900 1.100 1.100 peak 416 weight 0.10000E+01 volume 0.54800E+00 ppm1 5.821 ppm2 2.168
ASSI (
(( segid " " and resid 73 and name H ))
)(
(( segid " " and resid 72 and name HA3 ))
OR
(( segid " " and resid 71 and name HA2 ))
)
2.400 0.700 0.700 peak 421 weight 0.10000E+01 volume 0.16530E+01 ppm1 7.768 ppm2 4.098
ASSI (
(( segid " " and resid 82 and name H ))
)(
(( segid " " and resid 82 and name HB2 ))
OR
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 80 and name HB2 ))
)
2.600 0.800 0.800 peak 429 weight 0.10000E+01 volume 0.94100E+00 ppm1 7.410 ppm2 1.972
ASSI (
(( segid " " and resid 82 and name H ))
)(
(( segid " " and resid 82 and name HD2 ))
OR
(( segid " " and resid 81 and name HB2 ))
)
2.800 1.000 1.000 peak 430 weight 0.10000E+01 volume 0.71200E+00 ppm1 7.403 ppm2 1.711
ASSI (
(( segid " " and resid 82 and name H ))
)(
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
OR
(( segid " " and resid 82 and name HB3 ))
)
2.600 0.800 0.800 peak 431 weight 0.10000E+01 volume 0.98700E+00 ppm1 7.408 ppm2 1.513
ASSI (
(( segid " " and resid 82 and name H ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.900 1.100 1.100 peak 432 weight 0.10000E+01 volume 0.99600E+00 ppm1 7.400 ppm2 0.804
ASSI (
(( segid " " and resid 51 and name H ))
)(
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 50 and name HB3 ))
OR
(( segid " " and resid 50 and name HB2 ))
)
3.000 1.100 1.100 peak 437 weight 0.10000E+01 volume 0.41200E+00 ppm1 7.590 ppm2 2.011
ASSI (
(( segid " " and resid 51 and name H ))
)(
(( segid " " and resid 82 and name HG3 ))
OR
(( segid " " and resid 82 and name HG2 ))
OR
(( segid " " and resid 82 and name HB3 ))
OR
(( segid " " and resid 51 and name HG13))
)
2.600 0.800 0.800 peak 439 weight 0.10000E+01 volume 0.10490E+01 ppm1 7.584 ppm2 1.493
ASSI (
(( segid " " and resid 105 and name HE ))
)(
(( segid " " and resid 13 and name HZ2 ))
OR
(( segid " " and resid 10 and name HD22))
)
2.800 1.000 1.000 peak 443 weight 0.10000E+01 volume 0.67900E+00 ppm1 7.185 ppm2 6.974
ASSI (
(( segid " " and resid 105 and name HE ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HG2 ))
OR
(( segid " " and resid 105 and name HB2 ))
)
2.600 0.800 0.800 peak 446 weight 0.10000E+01 volume 0.95200E+00 ppm1 7.183 ppm2 1.757
ASSI (
(( segid " " and resid 38 and name HE ))
)(
(( segid " " and resid 88 and name HD23))
OR
(( segid " " and resid 88 and name HD22))
OR
(( segid " " and resid 88 and name HD21))
OR
(( segid " " and resid 88 and name HD13))
OR
(( segid " " and resid 88 and name HD12))
OR
(( segid " " and resid 88 and name HD11))
OR
(( segid " " and resid 78 and name HG11))
OR
(( segid " " and resid 51 and name HD13))
OR
(( segid " " and resid 51 and name HD12))
OR
(( segid " " and resid 51 and name HD11))
)
3.300 1.400 1.400 peak 457 weight 0.10000E+01 volume 0.52000E+00 ppm1 7.453 ppm2 0.777
ASSI (
(( segid " " and resid 48 and name H ))
)(
(( segid " " and resid 47 and name HA ))
OR
(( segid " " and resid 46 and name HA ))
)
2.900 1.100 1.100 peak 466 weight 0.10000E+01 volume 0.52800E+00 ppm1 6.726 ppm2 4.273
ASSI (
(( segid " " and resid 48 and name H ))
)(
(( segid " " and resid 52 and name HB3 ))
OR
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD12))
OR
(( segid " " and resid 47 and name HD11))
)
3.800 1.800 1.800 peak 469 weight 0.10000E+01 volume 0.19100E+00 ppm1 6.729 ppm2 0.878
ASSI (
(( segid " " and resid 48 and name H ))
)(
(( segid " " and resid 47 and name HG ))
OR
(( segid " " and resid 38 and name HB2 ))
)
3.400 1.400 1.400 peak 471 weight 0.10000E+01 volume 0.20500E+00 ppm1 6.741 ppm2 1.686
ASSI (
(( segid " " and resid 96 and name H ))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 96 and name HA ))
OR
(( segid " " and resid 32 and name HA ))
)
2.600 0.800 0.800 peak 474 weight 0.10000E+01 volume 0.12160E+01 ppm1 7.810 ppm2 4.362
ASSI (
(( segid " " and resid 96 and name H ))
OR
(( segid " " and resid 29 and name HD21))
)(
(( segid " " and resid 96 and name HB3 ))
OR
(( segid " " and resid 29 and name HB2 ))
)
2.200 0.600 0.600 peak 477 weight 0.10000E+01 volume 0.26020E+01 ppm1 7.808 ppm2 3.013
ASSI (
(( segid " " and resid 96 and name H ))
)(
(( segid " " and resid 97 and name HG3 ))
OR
(( segid " " and resid 97 and name HG2 ))
OR
(( segid " " and resid 95 and name HG3 ))
OR
(( segid " " and resid 95 and name HB3 ))
)
2.800 1.000 1.000 peak 478 weight 0.10000E+01 volume 0.68200E+00 ppm1 7.811 ppm2 2.111
ASSI (
(( segid " " and resid 96 and name H ))
)(
(( segid " " and resid 97 and name HB3 ))
OR
(( segid " " and resid 97 and name HB2 ))
OR
(( segid " " and resid 95 and name HG2 ))
)
3.000 1.100 1.100 peak 480 weight 0.10000E+01 volume 0.41300E+00 ppm1 7.799 ppm2 1.710
ASSI (
(( segid " " and resid 31 and name H ))
)(
(( segid " " and resid 32 and name H ))
OR
(( segid " " and resid 29 and name HD21))
)
2.500 0.800 0.800 peak 481 weight 0.10000E+01 volume 0.11740E+01 ppm1 8.005 ppm2 7.793
ASSI (
(( segid " " and resid 31 and name H ))
)(
(( segid " " and resid 31 and name HG23))
OR
(( segid " " and resid 31 and name HG22))
OR
(( segid " " and resid 31 and name HG21))
OR
(( segid " " and resid 30 and name HG2 ))
)
2.700 0.900 0.900 peak 485 weight 0.10000E+01 volume 0.15740E+01 ppm1 8.007 ppm2 1.317
ASSI (
(( segid " " and resid 35 and name H ))
OR
(( segid " " and resid 29 and name H ))
)(
(( segid " " and resid 104 and name HG2 ))
OR
(( segid " " and resid 74 and name HB3 ))
OR
(( segid " " and resid 35 and name HG3 ))
)
2.900 1.100 1.100 peak 489 weight 0.10000E+01 volume 0.52600E+00 ppm1 8.297 ppm2 2.418
ASSI (
(( segid " " and resid 32 and name H ))
)(
(( segid " " and resid 33 and name HA3 ))
OR
(( segid " " and resid 31 and name HA ))
)
2.900 1.100 1.100 peak 497 weight 0.10000E+01 volume 0.59000E+00 ppm1 7.781 ppm2 4.202
ASSI (
(( segid " " and resid 32 and name H ))
)(
(( segid " " and resid 32 and name HG23))
OR
(( segid " " and resid 32 and name HG22))
OR
(( segid " " and resid 32 and name HG21))
)
2.800 1.000 1.000 peak 498 weight 0.10000E+01 volume 0.13340E+01 ppm1 7.782 ppm2 1.397
ASSI (
(( segid " " and resid 72 and name H ))
)(
(( segid " " and resid 58 and name HE2 ))
OR
(( segid " " and resid 58 and name HE1 ))
)
3.300 1.400 1.400 peak 505 weight 0.10000E+01 volume 0.28300E+00 ppm1 8.274 ppm2 6.462
ASSI (
(( segid " " and resid 72 and name H ))
)(
(( segid " " and resid 72 and name HA3 ))
OR
(( segid " " and resid 71 and name HA3 ))
OR
(( segid " " and resid 71 and name HA2 ))
)
2.100 0.600 0.600 peak 506 weight 0.10000E+01 volume 0.38260E+01 ppm1 8.273 ppm2 4.126
ASSI (
(( segid " " and resid 72 and name H ))
)(
(( segid " " and resid 71 and name H ))
OR
(( segid " " and resid 61 and name H ))
)
3.000 1.100 1.100 peak 507 weight 0.10000E+01 volume 0.40200E+00 ppm1 8.276 ppm2 8.592
ASSI (
(( segid " " and resid 98 and name H ))
)(
(( segid " " and resid 97 and name HG3 ))
OR
(( segid " " and resid 97 and name HG2 ))
OR
(( segid " " and resid 95 and name HB3 ))
OR
(( segid " " and resid 42 and name HB ))
)
3.200 1.300 1.300 peak 513 weight 0.10000E+01 volume 0.29900E+00 ppm1 7.384 ppm2 2.073
ASSI (
(( segid " " and resid 65 and name H ))
)(
(( segid " " and resid 64 and name HB2 ))
OR
(( segid " " and resid 63 and name HB3 ))
)
3.000 1.100 1.100 peak 525 weight 0.10000E+01 volume 0.43700E+00 ppm1 7.935 ppm2 3.961
ASSI (
(( segid " " and resid 99 and name H ))
)(
(( segid " " and resid 99 and name HG12))
OR
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
)
2.700 0.900 0.900 peak 531 weight 0.10000E+01 volume 0.76200E+00 ppm1 7.989 ppm2 1.000
ASSI (
(( segid " " and resid 99 and name H ))
)(
(( segid " " and resid 99 and name HG23))
OR
(( segid " " and resid 99 and name HG22))
OR
(( segid " " and resid 99 and name HG21))
OR
(( segid " " and resid 42 and name HG11))
)
3.100 1.200 1.200 peak 532 weight 0.10000E+01 volume 0.76200E+00 ppm1 7.992 ppm2 0.821
ASSI (
(( segid " " and resid 69 and name H ))
)(
(( segid " " and resid 70 and name HG23))
OR
(( segid " " and resid 70 and name HG22))
OR
(( segid " " and resid 70 and name HG21))
OR
(( segid " " and resid 70 and name HG13))
OR
(( segid " " and resid 68 and name HG23))
OR
(( segid " " and resid 68 and name HG22))
OR
(( segid " " and resid 68 and name HG21))
OR
(( segid " " and resid 68 and name HG13))
OR
(( segid " " and resid 68 and name HG12))
OR
(( segid " " and resid 68 and name HG11))
)
2.900 1.100 1.100 peak 547 weight 0.10000E+01 volume 0.10260E+01 ppm1 8.525 ppm2 0.954
ASSI (
(( segid " " and resid 19 and name H ))
)(
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
OR
(( segid " " and resid 18 and name HG21))
OR
(( segid " " and resid 18 and name HG13))
OR
(( segid " " and resid 18 and name HG12))
OR
(( segid " " and resid 18 and name HG11))
)
2.700 0.900 0.900 peak 548 weight 0.10000E+01 volume 0.15320E+01 ppm1 8.373 ppm2 0.813
ASSI (
(( segid " " and resid 28 and name H ))
)(
(( segid " " and resid 28 and name HA3 ))
OR
(( segid " " and resid 28 and name HA2 ))
)
2.300 0.700 0.700 peak 558 weight 0.10000E+01 volume 0.20480E+01 ppm1 8.356 ppm2 4.229
ASSI (
(( segid " " and resid 113 and name H ))
)(
(( segid " " and resid 113 and name HG3 ))
OR
(( segid " " and resid 113 and name HG2 ))
)
2.900 1.100 1.100 peak 566 weight 0.10000E+01 volume 0.52300E+00 ppm1 8.350 ppm2 1.325
ASSI (
(( segid " " and resid 113 and name H ))
)(
(( 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 1.400 1.400 peak 567 weight 0.10000E+01 volume 0.45700E+00 ppm1 8.348 ppm2 1.105
ASSI (
(( segid " " and resid 113 and name H ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG23))
OR
(( segid " " and resid 18 and name HG22))
)
3.000 1.100 1.100 peak 568 weight 0.10000E+01 volume 0.93900E+00 ppm1 8.353 ppm2 0.822
ASSI (
(( segid " " and resid 70 and name H ))
)(
(( segid " " and resid 71 and name H ))
OR
(( segid " " and resid 69 and name H ))
)
2.600 0.800 0.800 peak 572 weight 0.10000E+01 volume 0.10290E+01 ppm1 8.022 ppm2 8.555
ASSI (
(( segid " " and resid 67 and name H ))
)(
(( segid " " and resid 68 and name HB ))
OR
(( segid " " and resid 66 and name HG2 ))
)
2.500 0.800 0.800 peak 577 weight 0.10000E+01 volume 0.14170E+01 ppm1 8.333 ppm2 2.053
ASSI (
(( segid " " and resid 52 and name H ))
)(
(( segid " " and resid 82 and name HB3 ))
OR
(( segid " " and resid 52 and name HG ))
OR
(( segid " " and resid 51 and name HG13))
)
2.400 0.700 0.700 peak 580 weight 0.10000E+01 volume 0.16630E+01 ppm1 8.282 ppm2 1.478
ASSI (
(( segid " " and resid 52 and name H ))
)(
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
3.000 1.100 1.100 peak 582 weight 0.10000E+01 volume 0.80700E+00 ppm1 8.286 ppm2 0.696
ASSI (
(( segid " " and resid 85 and name H ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 86 and name H ))
)
3.100 1.200 1.200 peak 585 weight 0.10000E+01 volume 0.37600E+00 ppm1 8.288 ppm2 8.773
ASSI (
(( segid " " and resid 10 and name H ))
)(
(( segid " " and resid 10 and name HA ))
OR
(( segid " " and resid 9 and name HA ))
)
2.300 0.700 0.700 peak 591 weight 0.10000E+01 volume 0.21130E+01 ppm1 8.220 ppm2 4.723
ASSI (
(( segid " " and resid 10 and name H ))
)(
(( segid " " and resid 106 and name HB2 ))
OR
(( segid " " and resid 9 and name HB3 ))
)
3.000 1.100 1.100 peak 598 weight 0.10000E+01 volume 0.39900E+00 ppm1 8.220 ppm2 2.704
ASSI (
(( segid " " and resid 64 and name H ))
)(
(( segid " " and resid 64 and name HB2 ))
OR
(( segid " " and resid 63 and name HB3 ))
)
2.600 0.800 0.800 peak 604 weight 0.10000E+01 volume 0.99800E+00 ppm1 8.513 ppm2 3.959
ASSI (
(( segid " " and resid 63 and name H ))
)(
(( segid " " and resid 62 and name HG3 ))
OR
(( segid " " and resid 62 and name HB2 ))
)
3.200 1.300 1.300 peak 605 weight 0.10000E+01 volume 0.29000E+00 ppm1 8.379 ppm2 1.916
ASSI (
(( segid " " and resid 63 and name H ))
)(
(( segid " " and resid 63 and name HB2 ))
OR
(( segid " " and resid 62 and name HD3 ))
)
2.700 0.900 0.900 peak 609 weight 0.10000E+01 volume 0.74100E+00 ppm1 8.391 ppm2 3.818
ASSI (
(( segid " " and resid 40 and name H ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
)
2.600 0.800 0.800 peak 614 weight 0.10000E+01 volume 0.22350E+01 ppm1 8.403 ppm2 0.957
ASSI (
(( segid " " and resid 16 and name H ))
)(
(( segid " " and resid 111 and name HB3 ))
OR
(( segid " " and resid 17 and name HB2 ))
)
3.200 1.300 1.300 peak 632 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.878 ppm2 3.376
ASSI (
(( segid " " and resid 17 and name H ))
)(
(( segid " " and resid 20 and name HG3 ))
OR
(( segid " " and resid 20 and name HG2 ))
OR
(( segid " " and resid 20 and name HB3 ))
)
2.600 0.800 0.800 peak 637 weight 0.10000E+01 volume 0.94600E+00 ppm1 8.817 ppm2 1.676
ASSI (
(( segid " " and resid 16 and name H ))
)(
(( 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 0.900 0.900 peak 638 weight 0.10000E+01 volume 0.15090E+01 ppm1 8.870 ppm2 1.089
ASSI (
(( segid " " and resid 17 and name H ))
)(
(( segid " " and resid 16 and name HG23))
OR
(( segid " " and resid 16 and name HG22))
OR
(( segid " " and resid 16 and name HG21))
)
2.900 1.100 1.100 peak 639 weight 0.10000E+01 volume 0.10820E+01 ppm1 8.820 ppm2 1.087
ASSI (
(( segid " " and resid 16 and name H ))
)(
(( segid " " and resid 112 and name HG23))
OR
(( segid " " and resid 112 and name HG22))
OR
(( segid " " and resid 112 and name HG21))
OR
(( segid " " and resid 14 and name HG23))
OR
(( segid " " and resid 14 and name HG22))
OR
(( segid " " and resid 14 and name HG21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
OR
(( segid " " and resid 14 and name HG11))
)
3.500 1.500 1.500 peak 640 weight 0.10000E+01 volume 0.31600E+00 ppm1 8.878 ppm2 0.869
ASSI (
(( segid " " and resid 81 and name H ))
)(
(( segid " " and resid 80 and name HB3 ))
OR
(( segid " " and resid 53 and name HB3 ))
)
3.200 1.300 1.300 peak 645 weight 0.10000E+01 volume 0.27600E+00 ppm1 8.963 ppm2 2.182
ASSI (
(( segid " " and resid 81 and name H ))
)(
(( segid " " and resid 82 and name HB2 ))
OR
(( segid " " and resid 81 and name HB3 ))
OR
(( segid " " and resid 80 and name HB2 ))
)
2.900 1.100 1.100 peak 646 weight 0.10000E+01 volume 0.56100E+00 ppm1 8.973 ppm2 1.988
ASSI (
(( segid " " and resid 81 and name H ))
)(
(( segid " " and resid 81 and name HG3 ))
OR
(( segid " " and resid 81 and name HG2 ))
OR
(( segid " " and resid 52 and name HB2 ))
)
2.500 0.800 0.800 peak 648 weight 0.10000E+01 volume 0.12880E+01 ppm1 8.978 ppm2 1.556
ASSI (
(( segid " " and resid 81 and name H ))
)(
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD13))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
3.100 1.200 1.200 peak 649 weight 0.10000E+01 volume 0.76500E+00 ppm1 8.975 ppm2 0.701
ASSI (
(( segid " " and resid 43 and name H ))
)(
(( segid " " and resid 43 and name HA3 ))
OR
(( segid " " and resid 42 and name HA ))
)
2.100 0.600 0.600 peak 653 weight 0.10000E+01 volume 0.35570E+01 ppm1 8.873 ppm2 3.712
ASSI (
(( segid " " and resid 43 and name H ))
)(
(( segid " " and resid 42 and name HG23))
OR
(( segid " " and resid 42 and name HG22))
OR
(( segid " " and resid 42 and name HG21))
OR
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
3.100 1.200 1.200 peak 654 weight 0.10000E+01 volume 0.69900E+00 ppm1 8.873 ppm2 1.024
ASSI (
(( segid " " and resid 43 and name H ))
)(
(( segid " " and resid 47 and name HD13))
OR
(( segid " " and resid 47 and name HD11))
OR
(( segid " " and resid 42 and name HG13))
OR
(( segid " " and resid 42 and name HG12))
OR
(( segid " " and resid 42 and name HG11))
)
3.000 1.100 1.100 peak 655 weight 0.10000E+01 volume 0.93800E+00 ppm1 8.875 ppm2 0.852
ASSI (
(( segid " " and resid 37 and name H ))
)(
(( segid " " and resid 37 and name HG23))
OR
(( segid " " and resid 37 and name HG22))
OR
(( segid " " and resid 37 and name HG21))
)
2.800 1.000 1.000 peak 662 weight 0.10000E+01 volume 0.12090E+01 ppm1 9.105 ppm2 1.022
ASSI (
(( segid " " and resid 87 and name H ))
)(
(( segid " " and resid 87 and name HG23))
OR
(( segid " " and resid 87 and name HG22))
OR
(( segid " " and resid 87 and name HG21))
OR
(( segid " " and resid 52 and name HD23))
OR
(( segid " " and resid 52 and name HD22))
OR
(( segid " " and resid 52 and name HD21))
OR
(( segid " " and resid 52 and name HD12))
OR
(( segid " " and resid 52 and name HD11))
)
3.200 1.300 1.300 peak 670 weight 0.10000E+01 volume 0.57900E+00 ppm1 9.199 ppm2 0.677
ASSI (
(( segid " " and resid 91 and name H ))
)(
(( segid " " and resid 91 and name HB ))
OR
(( segid " " and resid 90 and name HB2 ))
)
2.800 1.000 1.000 peak 673 weight 0.10000E+01 volume 0.59700E+00 ppm1 9.412 ppm2 1.769
ASSI (
(( segid " " and resid 91 and name H ))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 38 and name HA ))
OR
(( segid " " and resid 36 and name HA ))
)
2.900 1.100 1.100 peak 677 weight 0.10000E+01 volume 0.62300E+00 ppm1 9.413 ppm2 5.164
ASSI (
(( segid " " and resid 91 and name H ))
)(
(( segid " " and resid 99 and name HD13))
OR
(( segid " " and resid 99 and name HD12))
OR
(( segid " " and resid 99 and name HD11))
OR
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
)
3.300 1.400 1.400 peak 678 weight 0.10000E+01 volume 0.52800E+00 ppm1 9.412 ppm2 0.934
ASSI (
(( segid " " and resid 102 and name H ))
)(
(( segid " " and resid 102 and name HA ))
OR
(( segid " " and resid 101 and name HA ))
)
2.500 0.800 0.800 peak 681 weight 0.10000E+01 volume 0.14220E+01 ppm1 8.854 ppm2 4.231
ASSI (
(( segid " " and resid 102 and name H ))
)(
(( segid " " and resid 102 and name HB3 ))
OR
(( segid " " and resid 102 and name HB2 ))
OR
(( segid " " and resid 100 and name HB2 ))
)
2.200 0.600 0.600 peak 684 weight 0.10000E+01 volume 0.28240E+01 ppm1 8.856 ppm2 2.068
ASSI (
(( segid " " and resid 84 and name H ))
)(
(( segid " " and resid 112 and name H ))
OR
(( segid " " and resid 86 and name H ))
)
2.900 1.100 1.100 peak 687 weight 0.10000E+01 volume 0.52100E+00 ppm1 8.991 ppm2 8.771
ASSI (
(( segid " " and resid 84 and name H ))
)(
(( segid " " and resid 83 and name HG2 ))
OR
(( segid " " and resid 83 and name HB3 ))
)
2.900 1.100 1.100 peak 692 weight 0.10000E+01 volume 0.53500E+00 ppm1 8.991 ppm2 1.737
ASSI (
(( segid " " and resid 84 and name H ))
)(
(( segid " " and resid 112 and name HG13))
OR
(( segid " " and resid 112 and name HG12))
OR
(( segid " " and resid 112 and name HG11))
OR
(( segid " " and resid 18 and name HG22))
)
3.000 1.100 1.100 peak 693 weight 0.10000E+01 volume 0.92900E+00 ppm1 8.985 ppm2 0.833
ASSI (
(( segid " " and resid 105 and name HE ))
)(
(( segid " " and resid 91 and name HG23))
OR
(( segid " " and resid 91 and name HG22))
OR
(( segid " " and resid 91 and name HG21))
OR
(( segid " " and resid 39 and name HG23))
OR
(( segid " " and resid 39 and name HG22))
OR
(( segid " " and resid 39 and name HG21))
OR
(( segid " " and resid 39 and name HG13))
OR
(( segid " " and resid 39 and name HG12))
OR
(( segid " " and resid 39 and name HG11))
)
3.500 1.500 1.500 peak 701 weight 0.10000E+01 volume 0.31700E+00 ppm1 7.185 ppm2 0.927
ASSI (
(( segid " " and resid 109 and name H ))
OR
(( segid " " and resid 56 and name H ))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 108 and name HD13))
OR
(( segid " " and resid 108 and name HD12))
OR
(( segid " " and resid 108 and name HD11))
OR
(( segid " " and resid 47 and name HD23))
OR
(( segid " " and resid 47 and name HD22))
OR
(( segid " " and resid 47 and name HD21))
OR
(( segid " " and resid 14 and name HG13))
OR
(( segid " " and resid 14 and name HG12))
)
2.100 0.600 0.600 peak 704 weight 0.10000E+01 volume 0.67950E+01 ppm1 9.168 ppm2 0.857
ASSI (
(( segid " " and resid 75 and name H ))
OR
(( segid " " and resid 47 and name H ))
)(
(( segid " " and resid 74 and name HB3 ))
OR
(( segid " " and resid 58 and name HB3 ))
OR
(( segid " " and resid 56 and name HB2 ))
OR
(( segid " " and resid 38 and name HD2 ))
)
2.900 1.100 1.100 peak 714 weight 0.10000E+01 volume 0.48600E+00 ppm1 8.854 ppm2 2.401
ASSI (
(( segid " " and resid 75 and name H ))
)(
(( segid " " and resid 74 and name HE2 ))
OR
(( segid " " and resid 74 and name HE1 ))
OR
(( segid " " and resid 25 and name HD2 ))
)
3.600 1.600 1.600 peak 715 weight 0.10000E+01 volume 0.17600E+00 ppm1 8.849 ppm2 6.921
ASSI (
(( segid " " and resid 75 and name H ))
OR
(( segid " " and resid 47 and name H ))
)(
(( segid " " and resid 74 and name HD2 ))
OR
(( segid " " and resid 74 and name HD1 ))
OR
(( segid " " and resid 41 and name HE2 ))
OR
(( segid " " and resid 41 and name HE1 ))
)
3.300 1.400 1.400 peak 716 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.851 ppm2 7.210
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 11 and name HB3 ))
OR
(( segid " " and resid 11 and name HB2 ))
)
2.400 0.700 0.700 peak 726 weight 0.10000E+01 volume 0.14920E+01 ppm1 7.943 ppm2 2.467
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 108 and name HB2 ))
OR
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 12 and name HB3 ))
OR
(( segid " " and resid 8 and name HB2 ))
)
3.600 1.600 1.600 peak 729 weight 0.10000E+01 volume 0.13900E+00 ppm1 7.920 ppm2 1.772
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 108 and name HB2 ))
OR
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 105 and name HB2 ))
OR
(( segid " " and resid 90 and name HB2 ))
OR
(( segid " " and resid 8 and name HB2 ))
)
3.500 1.500 1.500 peak 730 weight 0.10000E+01 volume 0.18100E+00 ppm1 7.938 ppm2 1.782
ASSI (
(( segid " " and resid 9 and name H ))
)(
(( segid " " and resid 105 and name HG3 ))
OR
(( segid " " and resid 27 and name HD3 ))
OR
(( segid " " and resid 27 and name HD2 ))
OR
(( segid " " and resid 8 and name HD3 ))
OR
(( segid " " and resid 8 and name HD2 ))
)
3.000 1.100 1.100 peak 731 weight 0.10000E+01 volume 0.46500E+00 ppm1 8.283 ppm2 1.735
ASSI (
(( segid " " and resid 24 and name H ))
)(
(( segid " " and resid 108 and name HD23))
OR
(( segid " " and resid 108 and name HD22))
OR
(( segid " " and resid 108 and name HD21))
OR
(( segid " " and resid 55 and name HG13))
OR
(( segid " " and resid 55 and name HG12))
OR
(( segid " " and resid 55 and name HG11))
OR
(( segid " " and resid 24 and name HG13))
)
3.000 1.100 1.100 peak 736 weight 0.10000E+01 volume 0.44200E+00 ppm1 9.283 ppm2 0.901
ASSI (
(( segid " " and resid 24 and name H ))
)(
(( segid " " and resid 76 and name HB ))
OR
(( segid " " and resid 23 and name HG2 ))
OR
(( segid " " and resid 23 and name HB3 ))
OR
(( segid " " and resid 23 and name HB2 ))
)
2.400 0.700 0.700 peak 737 weight 0.10000E+01 volume 0.14500E+01 ppm1 9.292 ppm2 1.758
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 85 and name HB3 ))
OR
(( segid " " and resid 12 and name HE3 ))
OR
(( segid " " and resid 12 and name HE2 ))
)
3.400 1.400 1.400 peak 753 weight 0.10000E+01 volume 0.19500E+00 ppm1 8.825 ppm2 2.990
ASSI (
(( segid " " and resid 72 and name H ))
)(
(( segid " " and resid 74 and name HA ))
OR
(( segid " " and resid 73 and name HA ))
)
3.300 1.400 1.400 peak 754 weight 0.10000E+01 volume 0.27600E+00 ppm1 8.271 ppm2 4.880
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 21 and name H ))
OR
(( segid " " and resid 17 and name H ))
)
2.700 0.900 0.900 peak 762 weight 0.10000E+01 volume 0.88700E+00 ppm1 7.616 ppm2 8.811
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 111 and name H ))
OR
(( segid " " and resid 109 and name H ))
)
3.200 1.300 1.300 peak 773 weight 0.10000E+01 volume 0.27100E+00 ppm1 8.826 ppm2 9.136
ASSI (
(( segid " " and resid 42 and name H ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
3.100 1.200 1.200 peak 775 weight 0.10000E+01 volume 0.41100E+00 ppm1 7.793 ppm2 7.257
ASSI (
(( segid " " and resid 38 and name HE ))
)(
(( segid " " and resid 41 and name HD2 ))
OR
(( segid " " and resid 41 and name HD1 ))
)
3.100 1.200 1.200 peak 776 weight 0.10000E+01 volume 0.37900E+00 ppm1 7.443 ppm2 7.275
ASSI (
(( segid " " and resid 93 and name H ))
)(
(( segid " " and resid 91 and name HA ))
OR
(( segid " " and resid 36 and name HA ))
)
3.400 1.400 1.400 peak 783 weight 0.10000E+01 volume 0.23300E+00 ppm1 8.198 ppm2 5.159
ASSI (
(( segid " " and resid 36 and name HE1 ))
)(
(( segid " " and resid 36 and name HD1 ))
)
2.500 0.800 0.800 peak 2 weight 0.10000E+01 volume 0.15070E+01 ppm1 9.230 ppm2 6.008
ASSI (
(( segid " " and resid 13 and name HE1 ))
)(
(( segid " " and resid 13 and name HD1 ))
)
2.400 0.700 0.700 peak 3 weight 0.10000E+01 volume 0.20990E+01 ppm1 9.937 ppm2 7.169
ASSI (
(( segid " " and resid 13 and name HE1 ))
)(
(( segid " " and resid 13 and name HZ2 ))
)
2.600 0.800 0.800 peak 4 weight 0.10000E+01 volume 0.11310E+01 ppm1 9.936 ppm2 6.998
ASSI (
(( segid " " and resid 22 and name H ))
)(
(( segid " " and resid 78 and name H ))
)
2.900 1.100 1.100 peak 6 weight 0.10000E+01 volume 0.48500E+00 ppm1 9.510 ppm2 8.991
ASSI (
(( segid " " and resid 22 and name H ))
)(
(( segid " " and resid 21 and name HA ))
)
2.300 0.700 0.700 peak 7 weight 0.10000E+01 volume 0.20580E+01 ppm1 9.510 ppm2 4.783
ASSI (
(( segid " " and resid 88 and name H ))
)(
(( segid " " and resid 108 and name H ))
)
2.700 0.900 0.900 peak 21 weight 0.10000E+01 volume 0.76800E+00 ppm1 9.221 ppm2 8.722
ASSI (
(( segid " " and resid 88 and name H ))
)(
(( segid " " and resid 87 and name HA ))
)
2.400 0.700 0.700 peak 22 weight 0.10000E+01 volume 0.16120E+01 ppm1 9.219 ppm2 4.868
ASSI (
(( segid " " and resid 57 and name H ))
)(
(( segid " " and resid 75 and name H ))
)
2.700 0.900 0.900 peak 42 weight 0.10000E+01 volume 0.79700E+00 ppm1 9.030 ppm2 8.869
ASSI (
(( segid " " and resid 79 and name H ))
)(
(( segid " " and resid 53 and name H ))
)
2.800 1.000 1.000 peak 43 weight 0.10000E+01 volume 0.59800E+00 ppm1 9.057 ppm2 8.419
ASSI (
(( segid " " and resid 58 and name H ))
)(
(( segid " " and resid 57 and name HA ))
)
2.300 0.700 0.700 peak 58 weight 0.10000E+01 volume 0.25430E+01 ppm1 9.081 ppm2 4.879
ASSI (
(( segid " " and resid 58 and name H ))
)(
(( segid " " and resid 57 and name HB3 ))
)
2.900 1.100 1.100 peak 60 weight 0.10000E+01 volume 0.52900E+00 ppm1 9.087 ppm2 1.724
ASSI (
(( segid " " and resid 56 and name H ))
)(
(( segid " " and resid 55 and name H ))
)
3.300 1.400 1.400 peak 64 weight 0.10000E+01 volume 0.22400E+00 ppm1 9.132 ppm2 8.614
ASSI (
(( segid " " and resid 56 and name H ))
)(
(( segid " " and resid 56 and name HA ))
)
3.000 1.100 1.100 peak 65 weight 0.10000E+01 volume 0.43800E+00 ppm1 9.136 ppm2 5.338
ASSI (
(( segid " " and resid 56 and name H ))
)(
(( segid " " and resid 55 and name HB ))
)
3.100 1.200 1.200 peak 69 weight 0.10000E+01 volume 0.34900E+00 ppm1 9.139 ppm2 1.936
ASSI (
(( segid " " and resid 109 and name H ))
)(
(( segid " " and resid 109 and name HD2 ))
)
3.100 1.200 1.200 peak 72 weight 0.10000E+01 volume 0.44000E+00 ppm1 9.167 ppm2 5.989
ASSI (
(( segid " " and resid 109 and name H ))
)(
(( segid " " and resid 108 and name HA ))
)
2.500 0.800 0.800 peak 73 weight 0.10000E+01 volume 0.13010E+01 ppm1 9.170 ppm2 4.704
ASSI (
(( segid " " and resid 13 and name H ))
)(
(( segid " " and resid 13 and name HA ))
)
3.000 1.100 1.100 peak 77 weight 0.10000E+01 volume 0.46600E+00 ppm1 8.940 ppm2 5.146
ASSI (
(( segid " " and resid 13 and name H ))
)(
(( segid " " and resid 12 and name HA ))
)
2.400 0.700 0.700 peak 78 weight 0.10000E+01 volume 0.17630E+01 ppm1 8.941 ppm2 4.673
ASSI (
(( segid " " and resid 13 and name H ))
)(
(( segid " " and resid 13 and name HB2 ))
)
2.800 1.000 1.000 peak 79 weight 0.10000E+01 volume 0.64500E+00 ppm1 8.940 ppm2 3.191
ASSI (
(( segid " " and resid 77 and name H ))
)(
(( segid " " and resid 55 and name H ))
)
2.900 1.100 1.100 peak 82 weight 0.10000E+01 volume 0.56700E+00 ppm1 8.932 ppm2 8.597
ASSI (
(( segid " " and resid 77 and name H ))
)(
(( segid " " and resid 56 and name HA ))
)
2.900 1.100 1.100 peak 83 weight 0.10000E+01 volume 0.57800E+00 ppm1 8.919 ppm2 5.347
ASSI (
(( segid " " and resid 77 and name H ))
)(
(( segid " " and resid 76 and name HA ))
)
2.400 0.700 0.700 peak 85 weight 0.10000E+01 volume 0.16890E+01 ppm1 8.924 ppm2 4.924
ASSI (
(( segid " " and resid 77 and name H ))
)(
(( segid " " and resid 55 and name HB ))
)
2.800 1.000 1.000 peak 86 weight 0.10000E+01 volume 0.63700E+00 ppm1 8.925 ppm2 1.913
ASSI (
(( segid " " and resid 104 and name H ))
)(
(( segid " " and resid 103 and name HA ))
)
2.500 0.800 0.800 peak 95 weight 0.10000E+01 volume 0.12390E+01 ppm1 9.214 ppm2 4.842
ASSI (
(( segid " " and resid 104 and name H ))
)(
(( segid " " and resid 104 and name HB2 ))
)
2.400 0.700 0.700 peak 98 weight 0.10000E+01 volume 0.15700E+01 ppm1 9.218 ppm2 1.990
ASSI (
(( segid " " and resid 23 and name H ))
)(
(( segid " " and resid 23 and name HA ))
)
2.800 1.000 1.000 peak 100 weight 0.10000E+01 volume 0.63800E+00 ppm1 8.744 ppm2 5.277
ASSI (
(( segid " " and resid 23 and name H ))
)(
(( segid " " and resid 23 and name HG3 ))
)
3.000 1.100 1.100 peak 103 weight 0.10000E+01 volume 0.39100E+00 ppm1 8.738 ppm2 2.053
ASSI (
(( segid " " and resid 39 and name H ))
)(
(( segid " " and resid 39 and name HA ))
)
2.900 1.100 1.100 peak 106 weight 0.10000E+01 volume 0.58000E+00 ppm1 8.658 ppm2 3.454
ASSI (
(( segid " " and resid 15 and name H ))
)(
(( segid " " and resid 15 and name HA ))
)
3.000 1.100 1.100 peak 116 weight 0.10000E+01 volume 0.42100E+00 ppm1 8.752 ppm2 5.406
ASSI (
(( segid " " and resid 15 and name H ))
)(
(( segid " " and resid 14 and name HB ))
)
2.600 0.800 0.800 peak 117 weight 0.10000E+01 volume 0.10060E+01 ppm1 8.749 ppm2 2.014
ASSI (
(( segid " " and resid 108 and name H ))
)(
(( segid " " and resid 107 and name HA ))
)
2.200 0.600 0.600 peak 120 weight 0.10000E+01 volume 0.29430E+01 ppm1 8.728 ppm2 4.969
ASSI (
(( segid " " and resid 54 and name H ))
)(
(( segid " " and resid 54 and name HA ))
)
2.900 1.100 1.100 peak 128 weight 0.10000E+01 volume 0.52000E+00 ppm1 8.456 ppm2 4.855
ASSI (
(( segid " " and resid 54 and name H ))
)(
(( segid " " and resid 53 and name HA ))
)
2.300 0.700 0.700 peak 129 weight 0.10000E+01 volume 0.20290E+01 ppm1 8.458 ppm2 4.555
ASSI (
(( segid " " and resid 92 and name H ))
)(
(( segid " " and resid 92 and name HB3 ))
)
2.800 1.000 1.000 peak 140 weight 0.10000E+01 volume 0.60600E+00 ppm1 8.124 ppm2 -0.200
ASSI (
(( segid " " and resid 100 and name H ))
)(
(( segid " " and resid 100 and name HA ))
)
2.900 1.100 1.100 peak 143 weight 0.10000E+01 volume 0.53800E+00 ppm1 7.726 ppm2 4.886
ASSI (
(( segid " " and resid 94 and name H ))
)(
(( segid " " and resid 94 and name HA ))
)
2.800 1.000 1.000 peak 150 weight 0.10000E+01 volume 0.68700E+00 ppm1 8.207 ppm2 4.761
ASSI (
(( segid " " and resid 94 and name H ))
)(
(( segid " " and resid 93 and name HA ))
)
2.700 0.900 0.900 peak 151 weight 0.10000E+01 volume 0.78700E+00 ppm1 8.210 ppm2 4.568
ASSI (
(( segid " " and resid 107 and name H ))
)(
(( segid " " and resid 106 and name HA ))
)
2.400 0.700 0.700 peak 158 weight 0.10000E+01 volume 0.18430E+01 ppm1 7.969 ppm2 4.684
ASSI (
(( segid " " and resid 55 and name H ))
)(
(( segid " " and resid 54 and name HA ))
)
2.300 0.700 0.700 peak 163 weight 0.10000E+01 volume 0.22360E+01 ppm1 8.600 ppm2 4.841
ASSI (
(( segid " " and resid 59 and name H ))
)(
(( segid " " and resid 75 and name H ))
)
3.200 1.300 1.300 peak 170 weight 0.10000E+01 volume 0.30300E+00 ppm1 8.465 ppm2 8.855
ASSI (
(( segid " " and resid 59 and name H ))
)(
(( segid " " and resid 58 and name HA ))
)
2.200 0.600 0.600 peak 174 weight 0.10000E+01 volume 0.33710E+01 ppm1 8.451 ppm2 4.387
ASSI (
(( segid " " and resid 59 and name H ))
)(
(( segid " " and resid 73 and name H ))
)
3.000 1.100 1.100 peak 177 weight 0.10000E+01 volume 0.44300E+00 ppm1 8.454 ppm2 7.776
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 74 and name H ))
)
3.100 1.200 1.200 peak 181 weight 0.10000E+01 volume 0.32300E+00 ppm1 8.928 ppm2 9.425
ASSI (
(( segid " " and resid 112 and name H ))
)(
(( segid " " and resid 84 and name H ))
)
2.800 1.000 1.000 peak 183 weight 0.10000E+01 volume 0.70800E+00 ppm1 8.776 ppm2 9.005
ASSI (
(( segid " " and resid 47 and name H ))
)(
(( segid " " and resid 48 and name H ))
)
2.600 0.800 0.800 peak 186 weight 0.10000E+01 volume 0.91700E+00 ppm1 8.844 ppm2 6.734
ASSI (
(( segid " " and resid 75 and name H ))
)(
(( segid " " and resid 74 and name HA ))
)
2.400 0.700 0.700 peak 188 weight 0.10000E+01 volume 0.19250E+01 ppm1 8.850 ppm2 4.871
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 26 and name HA ))
)
3.300 1.400 1.400 peak 191 weight 0.10000E+01 volume 0.24000E+00 ppm1 8.937 ppm2 4.496
ASSI (
(( segid " " and resid 26 and name H ))
)(
(( segid " " and resid 75 and name HA ))
)
2.900 1.100 1.100 peak 193 weight 0.10000E+01 volume 0.56400E+00 ppm1 8.924 ppm2 4.292
ASSI (
(( segid " " and resid 25 and name H ))
)(
(( segid " " and resid 26 and name H ))
)
3.100 1.200 1.200 peak 201 weight 0.10000E+01 volume 0.35700E+00 ppm1 8.750 ppm2 8.934
ASSI (
(( segid " " and resid 25 and name H ))
)(
(( segid " " and resid 25 and name HA ))
)
2.800 1.000 1.000 peak 202 weight 0.10000E+01 volume 0.68500E+00 ppm1 8.744 ppm2 5.567
ASSI (
(( segid " " and resid 111 and name H ))
)(
(( segid " " and resid 110 and name HA ))
)
2.500 0.800 0.800 peak 210 weight 0.10000E+01 volume 0.14620E+01 ppm1 9.105 ppm2 4.951
ASSI (
(( segid " " and resid 111 and name H ))
)(
(( segid " " and resid 111 and name HA ))
)
2.900 1.100 1.100 peak 211 weight 0.10000E+01 volume 0.61500E+00 ppm1 9.114 ppm2 4.755
ASSI (
(( segid " " and resid 110 and name H ))
)(
(( segid " " and resid 110 and name HB2 ))
)
2.800 1.000 1.000 peak 217 weight 0.10000E+01 volume 0.58800E+00 ppm1 9.080 ppm2 1.663
ASSI (
(( segid " " and resid 49 and name H ))
)(
(( segid " " and resid 51 and name H ))
)
3.500 1.500 1.500 peak 225 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.906 ppm2 7.569
ASSI (
(( segid " " and resid 74 and name H ))
)(
(( segid " " and resid 73 and name HA ))
)
2.300 0.700 0.700 peak 239 weight 0.10000E+01 volume 0.20900E+01 ppm1 9.422 ppm2 4.836
ASSI (
(( segid " " and resid 53 and name H ))
)(
(( segid " " and resid 52 and name HA ))
)
2.400 0.700 0.700 peak 245 weight 0.10000E+01 volume 0.15530E+01 ppm1 8.425 ppm2 4.616
ASSI (
(( segid " " and resid 53 and name H ))
)(
(( segid " " and resid 52 and name HB3 ))
)
2.900 1.100 1.100 peak 249 weight 0.10000E+01 volume 0.56500E+00 ppm1 8.430 ppm2 0.867
ASSI (
(( segid " " and resid 38 and name H ))
)(
(( segid " " and resid 38 and name HA ))
)
3.100 1.200 1.200 peak 258 weight 0.10000E+01 volume 0.41700E+00 ppm1 8.038 ppm2 5.168
ASSI (
(( segid " " and resid 106 and name H ))
)(
(( segid " " and resid 90 and name H ))
)
3.200 1.300 1.300 peak 268 weight 0.10000E+01 volume 0.28400E+00 ppm1 8.447 ppm2 9.183
ASSI (
(( segid " " and resid 106 and name H ))
)(
(( segid " " and resid 36 and name HZ3 ))
)
2.900 1.100 1.100 peak 270 weight 0.10000E+01 volume 0.58400E+00 ppm1 8.457 ppm2 6.562
ASSI (
(( segid " " and resid 106 and name H ))
)(
(( segid " " and resid 91 and name HA ))
)
3.200 1.300 1.300 peak 272 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.448 ppm2 5.176
ASSI (
(( segid " " and resid 12 and name H ))
)(
(( segid " " and resid 109 and name HD2 ))
)
3.100 1.200 1.200 peak 279 weight 0.10000E+01 volume 0.38600E+00 ppm1 8.146 ppm2 5.987
ASSI (
(( segid " " and resid 12 and name H ))
)(
(( segid " " and resid 11 and name H ))
)
2.900 1.100 1.100 peak 281 weight 0.10000E+01 volume 0.52800E+00 ppm1 8.138 ppm2 7.957
ASSI (
(( segid " " and resid 12 and name H ))
)(
(( segid " " and resid 11 and name HA ))
)
2.500 0.800 0.800 peak 282 weight 0.10000E+01 volume 0.14160E+01 ppm1 8.142 ppm2 4.935
ASSI (
(( segid " " and resid 68 and name H ))
)(
(( segid " " and resid 69 and name H ))
)
3.200 1.300 1.300 peak 286 weight 0.10000E+01 volume 0.30700E+00 ppm1 8.047 ppm2 8.535
ASSI (
(( segid " " and resid 68 and name H ))
)(
(( segid " " and resid 67 and name H ))
)
2.700 0.900 0.900 peak 287 weight 0.10000E+01 volume 0.73300E+00 ppm1 8.041 ppm2 8.321
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 10 and name H ))
)
2.300 0.700 0.700 peak 288 weight 0.10000E+01 volume 0.18610E+01 ppm1 7.945 ppm2 8.220
ASSI (
(( segid " " and resid 68 and name H ))
)(
(( segid " " and resid 68 and name HA ))
)
2.800 1.000 1.000 peak 289 weight 0.10000E+01 volume 0.70300E+00 ppm1 8.049 ppm2 4.106
ASSI (
(( segid " " and resid 9 and name H ))
)(
(( segid " " and resid 8 and name H ))
)
2.900 1.100 1.100 peak 291 weight 0.10000E+01 volume 0.53700E+00 ppm1 8.280 ppm2 8.462
ASSI (
(( segid " " and resid 9 and name H ))
)(
(( segid " " and resid 9 and name HA ))
)
2.800 1.000 1.000 peak 292 weight 0.10000E+01 volume 0.66800E+00 ppm1 8.286 ppm2 4.708
ASSI (
(( segid " " and resid 93 and name H ))
)(
(( segid " " and resid 93 and name HA ))
)
2.800 1.000 1.000 peak 295 weight 0.10000E+01 volume 0.69100E+00 ppm1 8.204 ppm2 4.549
ASSI (
(( segid " " and resid 44 and name H ))
)(
(( segid " " and resid 43 and name H ))
)
2.600 0.800 0.800 peak 298 weight 0.10000E+01 volume 0.10390E+01 ppm1 8.085 ppm2 8.874
ASSI (
(( segid " " and resid 44 and name H ))
)(
(( segid " " and resid 44 and name HA ))
)
2.800 1.000 1.000 peak 300 weight 0.10000E+01 volume 0.76100E+00 ppm1 8.085 ppm2 4.600
ASSI (
(( segid " " and resid 44 and name H ))
)(
(( segid " " and resid 43 and name HA2 ))
)
3.100 1.200 1.200 peak 301 weight 0.10000E+01 volume 0.41600E+00 ppm1 8.098 ppm2 4.206
ASSI (
(( segid " " and resid 44 and name H ))
)(
(( segid " " and resid 44 and name HB2 ))
)
2.400 0.700 0.700 peak 302 weight 0.10000E+01 volume 0.16380E+01 ppm1 8.090 ppm2 2.176
ASSI (
(( segid " " and resid 105 and name H ))
)(
(( segid " " and resid 105 and name HA ))
)
3.200 1.300 1.300 peak 305 weight 0.10000E+01 volume 0.33100E+00 ppm1 8.505 ppm2 5.377
ASSI (
(( segid " " and resid 27 and name H ))
)(
(( segid " " and resid 27 and name HA ))
)
2.800 1.000 1.000 peak 317 weight 0.10000E+01 volume 0.66300E+00 ppm1 8.724 ppm2 4.813
ASSI (
(( segid " " and resid 27 and name H ))
)(
(( segid " " and resid 26 and name HA ))
)
2.300 0.700 0.700 peak 318 weight 0.10000E+01 volume 0.21700E+01 ppm1 8.718 ppm2 4.476
ASSI (
(( segid " " and resid 27 and name H ))
)(
(( segid " " and resid 27 and name HB2 ))
)
2.200 0.600 0.600 peak 319 weight 0.10000E+01 volume 0.27020E+01 ppm1 8.721 ppm2 1.865
ASSI (
(( segid " " and resid 27 and name H ))
)(
(( segid " " and resid 26 and name HB2 ))
)
2.900 1.100 1.100 peak 320 weight 0.10000E+01 volume 0.56600E+00 ppm1 8.722 ppm2 0.495
ASSI (
(( segid " " and resid 83 and name H ))
)(
(( segid " " and resid 82 and name HA ))
)
2.400 0.700 0.700 peak 326 weight 0.10000E+01 volume 0.16300E+01 ppm1 8.718 ppm2 4.701
ASSI (
(( segid " " and resid 18 and name H ))
)(
(( segid " " and resid 18 and name HB ))
)
2.400 0.700 0.700 peak 330 weight 0.10000E+01 volume 0.15670E+01 ppm1 8.691 ppm2 1.913
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 110 and name HA ))
)
3.200 1.300 1.300 peak 340 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.826 ppm2 4.980
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 13 and name HB2 ))
)
2.800 1.000 1.000 peak 342 weight 0.10000E+01 volume 0.69900E+00 ppm1 8.834 ppm2 3.166
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 42 and name H ))
)
2.500 0.800 0.800 peak 348 weight 0.10000E+01 volume 0.12540E+01 ppm1 8.627 ppm2 7.785
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 40 and name HA3 ))
)
2.900 1.100 1.100 peak 351 weight 0.10000E+01 volume 0.61000E+00 ppm1 8.630 ppm2 3.666
ASSI (
(( segid " " and resid 45 and name H ))
)(
(( segid " " and resid 46 and name H ))
)
2.600 0.800 0.800 peak 363 weight 0.10000E+01 volume 0.10770E+01 ppm1 8.521 ppm2 7.625
ASSI (
(( segid " " and resid 45 and name H ))
)(
(( segid " " and resid 45 and name HB3 ))
)
2.400 0.700 0.700 peak 364 weight 0.10000E+01 volume 0.15840E+01 ppm1 8.520 ppm2 2.750
ASSI (
(( segid " " and resid 42 and name H ))
)(
(( segid " " and resid 40 and name H ))
)
3.100 1.200 1.200 peak 368 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.788 ppm2 8.406
ASSI (
(( segid " " and resid 103 and name H ))
)(
(( segid " " and resid 103 and name HA ))
)
2.800 1.000 1.000 peak 376 weight 0.10000E+01 volume 0.66800E+00 ppm1 7.780 ppm2 4.842
ASSI (
(( segid " " and resid 103 and name H ))
)(
(( segid " " and resid 103 and name HB3 ))
)
2.800 1.000 1.000 peak 378 weight 0.10000E+01 volume 0.62600E+00 ppm1 7.783 ppm2 3.070
ASSI (
(( segid " " and resid 103 and name H ))
)(
(( segid " " and resid 103 and name HB2 ))
)
2.700 0.900 0.900 peak 379 weight 0.10000E+01 volume 0.88800E+00 ppm1 7.783 ppm2 2.577
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 19 and name H ))
)
2.700 0.900 0.900 peak 382 weight 0.10000E+01 volume 0.74100E+00 ppm1 7.617 ppm2 8.360
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 19 and name HA3 ))
)
2.900 1.100 1.100 peak 385 weight 0.10000E+01 volume 0.54700E+00 ppm1 7.617 ppm2 4.289
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 19 and name HA2 ))
)
3.300 1.400 1.400 peak 386 weight 0.10000E+01 volume 0.27100E+00 ppm1 7.610 ppm2 3.582
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 18 and name HA ))
)
3.200 1.300 1.300 peak 387 weight 0.10000E+01 volume 0.30400E+00 ppm1 7.613 ppm2 3.271
ASSI (
(( segid " " and resid 20 and name H ))
)(
(( segid " " and resid 20 and name HD2 ))
)
3.000 1.100 1.100 peak 391 weight 0.10000E+01 volume 0.40600E+00 ppm1 7.612 ppm2 1.273
ASSI (
(( segid " " and resid 34 and name H ))
)(
(( segid " " and resid 33 and name H ))
)
2.700 0.900 0.900 peak 399 weight 0.10000E+01 volume 0.87500E+00 ppm1 7.303 ppm2 7.868
ASSI (
(( segid " " and resid 34 and name H ))
)(
(( segid " " and resid 34 and name HD1 ))
)
2.900 1.100 1.100 peak 401 weight 0.10000E+01 volume 0.64300E+00 ppm1 7.304 ppm2 6.322
ASSI (
(( segid " " and resid 34 and name H ))
)(
(( segid " " and resid 33 and name HA3 ))
)
3.200 1.300 1.300 peak 402 weight 0.10000E+01 volume 0.28900E+00 ppm1 7.300 ppm2 4.190
ASSI (
(( segid " " and resid 34 and name H ))
)(
(( segid " " and resid 34 and name HA ))
)
3.000 1.100 1.100 peak 403 weight 0.10000E+01 volume 0.50400E+00 ppm1 7.290 ppm2 3.994
ASSI (
(( segid " " and resid 34 and name H ))
)(
(( segid " " and resid 33 and name HA2 ))
)
3.000 1.100 1.100 peak 405 weight 0.10000E+01 volume 0.44000E+00 ppm1 7.291 ppm2 3.646
ASSI (
(( segid " " and resid 97 and name H ))
)(
(( segid " " and resid 96 and name H ))
)
2.700 0.900 0.900 peak 406 weight 0.10000E+01 volume 0.75400E+00 ppm1 7.059 ppm2 7.808
ASSI (
(( segid " " and resid 97 and name H ))
)(
(( segid " " and resid 98 and name H ))
)
2.400 0.700 0.700 peak 407 weight 0.10000E+01 volume 0.17320E+01 ppm1 7.058 ppm2 7.381
ASSI (
(( segid " " and resid 97 and name H ))
)(
(( segid " " and resid 94 and name HB2 ))
)
3.500 1.500 1.500 peak 409 weight 0.10000E+01 volume 0.17600E+00 ppm1 7.064 ppm2 1.189
ASSI (
(( segid " " and resid 36 and name H ))
)(
(( segid " " and resid 92 and name HE2 ))
)
3.000 1.100 1.100 peak 411 weight 0.10000E+01 volume 0.49600E+00 ppm1 5.818 ppm2 6.059
ASSI (
(( segid " " and resid 36 and name H ))
)(
(( segid " " and resid 36 and name HA ))
)
3.000 1.100 1.100 peak 413 weight 0.10000E+01 volume 0.42300E+00 ppm1 5.812 ppm2 5.167
ASSI (
(( segid " " and resid 36 and name H ))
)(
(( segid " " and resid 36 and name HB3 ))
)
2.400 0.700 0.700 peak 417 weight 0.10000E+01 volume 0.17270E+01 ppm1 5.834 ppm2 1.948
ASSI (
(( segid " " and resid 73 and name H ))
)(
(( segid " " and resid 73 and name HA ))
)
2.900 1.100 1.100 peak 419 weight 0.10000E+01 volume 0.56500E+00 ppm1 7.772 ppm2 4.838
ASSI (
(( segid " " and resid 73 and name H ))
)(
(( segid " " and resid 72 and name HA2 ))
)
2.400 0.700 0.700 peak 420 weight 0.10000E+01 volume 0.19700E+01 ppm1 7.767 ppm2 4.361
ASSI (
(( segid " " and resid 73 and name H ))
)(
(( segid " " and resid 73 and name HG12))
)
2.500 0.800 0.800 peak 424 weight 0.10000E+01 volume 0.12070E+01 ppm1 7.773 ppm2 0.909
ASSI (
(( segid " " and resid 82 and name H ))
)(
(( segid " " and resid 81 and name H ))
)
2.400 0.700 0.700 peak 425 weight 0.10000E+01 volume 0.15290E+01 ppm1 7.405 ppm2 8.982
ASSI (
(( segid " " and resid 82 and name H ))
)(
(( segid " " and resid 81 and name HA ))
)
3.200 1.300 1.300 peak 428 weight 0.10000E+01 volume 0.32400E+00 ppm1 7.398 ppm2 4.421
ASSI (
(( segid " " and resid 38 and name HE ))
)(
(( segid " " and resid 48 and name H ))
)
2.800 1.000 1.000 peak 454 weight 0.10000E+01 volume 0.68400E+00 ppm1 7.445 ppm2 6.737
ASSI (
(( segid " " and resid 96 and name H ))
)(
(( segid " " and resid 95 and name HA ))
)
2.800 1.000 1.000 peak 475 weight 0.10000E+01 volume 0.64900E+00 ppm1 7.804 ppm2 3.816
ASSI (
(( segid " " and resid 96 and name H ))
)(
(( segid " " and resid 95 and name HB2 ))
)
2.900 1.100 1.100 peak 479 weight 0.10000E+01 volume 0.55000E+00 ppm1 7.807 ppm2 1.880
ASSI (
(( segid " " and resid 31 and name H ))
)(
(( segid " " and resid 30 and name HG3 ))
)
3.200 1.300 1.300 peak 482 weight 0.10000E+01 volume 0.30000E+00 ppm1 8.008 ppm2 1.473
ASSI (
(( segid " " and resid 31 and name H ))
)(
(( segid " " and resid 31 and name HA ))
)
2.300 0.700 0.700 peak 484 weight 0.10000E+01 volume 0.20640E+01 ppm1 8.007 ppm2 4.219
ASSI (
(( segid " " and resid 35 and name H ))
)(
(( segid " " and resid 34 and name HB3 ))
)
2.700 0.900 0.900 peak 491 weight 0.10000E+01 volume 0.84400E+00 ppm1 8.296 ppm2 0.595
ASSI (
(( segid " " and resid 32 and name H ))
)(
(( segid " " and resid 31 and name H ))
)
2.600 0.800 0.800 peak 493 weight 0.10000E+01 volume 0.96600E+00 ppm1 7.785 ppm2 7.974
ASSI (
(( segid " " and resid 32 and name H ))
)(
(( segid " " and resid 32 and name HA ))
)
2.800 1.000 1.000 peak 496 weight 0.10000E+01 volume 0.68500E+00 ppm1 7.780 ppm2 4.366
ASSI (
(( segid " " and resid 33 and name H ))
)(
(( segid " " and resid 32 and name HA ))
)
3.000 1.100 1.100 peak 501 weight 0.10000E+01 volume 0.42000E+00 ppm1 7.879 ppm2 4.343
ASSI (
(( segid " " and resid 33 and name H ))
)(
(( segid " " and resid 33 and name HA3 ))
)
2.400 0.700 0.700 peak 503 weight 0.10000E+01 volume 0.15740E+01 ppm1 7.878 ppm2 4.188
ASSI (
(( segid " " and resid 72 and name H ))
)(
(( segid " " and resid 73 and name H ))
)
3.300 1.400 1.400 peak 508 weight 0.10000E+01 volume 0.25400E+00 ppm1 8.275 ppm2 7.766
ASSI (
(( segid " " and resid 72 and name H ))
)(
(( segid " " and resid 72 and name HA2 ))
)
2.800 1.000 1.000 peak 509 weight 0.10000E+01 volume 0.62900E+00 ppm1 8.274 ppm2 4.364
ASSI (
(( segid " " and resid 103 and name HD21))
)(
(( segid " " and resid 103 and name HD22))
)
2.400 0.700 0.700 peak 515 weight 0.10000E+01 volume 0.16420E+01 ppm1 8.308 ppm2 7.771
ASSI (
(( segid " " and resid 103 and name HD21))
)(
(( segid " " and resid 103 and name HA ))
)
2.800 1.000 1.000 peak 517 weight 0.10000E+01 volume 0.67500E+00 ppm1 8.306 ppm2 4.855
ASSI (
(( segid " " and resid 65 and name H ))
)(
(( segid " " and resid 63 and name HB2 ))
)
2.900 1.100 1.100 peak 520 weight 0.10000E+01 volume 0.54600E+00 ppm1 7.935 ppm2 3.838
ASSI (
(( segid " " and resid 65 and name H ))
)(
(( segid " " and resid 64 and name H ))
)
2.700 0.900 0.900 peak 521 weight 0.10000E+01 volume 0.74900E+00 ppm1 7.930 ppm2 8.515
ASSI (
(( segid " " and resid 65 and name H ))
)(
(( segid " " and resid 65 and name HA ))
)
2.800 1.000 1.000 peak 523 weight 0.10000E+01 volume 0.63300E+00 ppm1 7.937 ppm2 4.720
ASSI (
(( segid " " and resid 99 and name H ))
)(
(( segid " " and resid 98 and name H ))
)
3.300 1.400 1.400 peak 527 weight 0.10000E+01 volume 0.23400E+00 ppm1 7.990 ppm2 7.361
ASSI (
(( segid " " and resid 69 and name H ))
)(
(( segid " " and resid 68 and name HB ))
)
3.300 1.400 1.400 peak 535 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.523 ppm2 2.054
ASSI (
(( segid " " and resid 71 and name H ))
)(
(( segid " " and resid 72 and name H ))
)
3.200 1.300 1.300 peak 539 weight 0.10000E+01 volume 0.28900E+00 ppm1 8.579 ppm2 8.248
ASSI (
(( segid " " and resid 71 and name H ))
)(
(( segid " " and resid 70 and name H ))
)
2.600 0.800 0.800 peak 540 weight 0.10000E+01 volume 0.94400E+00 ppm1 8.560 ppm2 8.033
ASSI (
(( segid " " and resid 71 and name H ))
)(
(( segid " " and resid 71 and name HA2 ))
)
2.000 0.500 0.500 peak 544 weight 0.10000E+01 volume 0.54250E+01 ppm1 8.567 ppm2 4.097
ASSI (
(( segid " " and resid 28 and name H ))
)(
(( segid " " and resid 27 and name HA ))
)
2.200 0.600 0.600 peak 557 weight 0.10000E+01 volume 0.28050E+01 ppm1 8.359 ppm2 4.827
ASSI (
(( segid " " and resid 28 and name H ))
)(
(( segid " " and resid 27 and name HB2 ))
)
2.500 0.800 0.800 peak 559 weight 0.10000E+01 volume 0.11990E+01 ppm1 8.360 ppm2 1.892
ASSI (
(( segid " " and resid 113 and name H ))
)(
(( segid " " and resid 113 and name HB2 ))
)
3.000 1.100 1.100 peak 564 weight 0.10000E+01 volume 0.39300E+00 ppm1 8.349 ppm2 1.891
ASSI (
(( segid " " and resid 67 and name H ))
)(
(( segid " " and resid 66 and name HA ))
)
2.200 0.600 0.600 peak 575 weight 0.10000E+01 volume 0.31150E+01 ppm1 8.337 ppm2 4.388
ASSI (
(( segid " " and resid 52 and name H ))
)(
(( segid " " and resid 52 and name HB2 ))
)
2.300 0.700 0.700 peak 579 weight 0.10000E+01 volume 0.21090E+01 ppm1 8.289 ppm2 1.560
ASSI (
(( segid " " and resid 52 and name H ))
)(
(( segid " " and resid 52 and name HB3 ))
)
3.100 1.200 1.200 peak 581 weight 0.10000E+01 volume 0.37900E+00 ppm1 8.290 ppm2 0.887
ASSI (
(( segid " " and resid 85 and name H ))
)(
(( segid " " and resid 85 and name HA ))
)
2.900 1.100 1.100 peak 590 weight 0.10000E+01 volume 0.61800E+00 ppm1 8.290 ppm2 5.254
ASSI (
(( segid " " and resid 85 and name H ))
)(
(( segid " " and resid 84 and name HA3 ))
)
2.400 0.700 0.700 peak 594 weight 0.10000E+01 volume 0.17750E+01 ppm1 8.292 ppm2 3.633
ASSI (
(( segid " " and resid 10 and name H ))
)(
(( segid " " and resid 10 and name HB2 ))
)
2.600 0.800 0.800 peak 596 weight 0.10000E+01 volume 0.90500E+00 ppm1 8.225 ppm2 3.006
ASSI (
(( segid " " and resid 10 and name H ))
)(
(( segid " " and resid 10 and name HB3 ))
)
2.600 0.800 0.800 peak 597 weight 0.10000E+01 volume 0.10760E+01 ppm1 8.221 ppm2 2.827
ASSI (
(( segid " " and resid 64 and name H ))
)(
(( segid " " and resid 63 and name HA ))
)
2.400 0.700 0.700 peak 603 weight 0.10000E+01 volume 0.15790E+01 ppm1 8.516 ppm2 4.489
ASSI (
(( segid " " and resid 63 and name H ))
)(
(( segid " " and resid 62 and name HA ))
)
2.000 0.500 0.500 peak 607 weight 0.10000E+01 volume 0.54020E+01 ppm1 8.387 ppm2 4.420
ASSI (
(( segid " " and resid 63 and name H ))
)(
(( segid " " and resid 63 and name HB3 ))
)
2.700 0.900 0.900 peak 608 weight 0.10000E+01 volume 0.84500E+00 ppm1 8.391 ppm2 3.955
ASSI (
(( segid " " and resid 40 and name H ))
)(
(( segid " " and resid 41 and name H ))
)
2.500 0.800 0.800 peak 611 weight 0.10000E+01 volume 0.11510E+01 ppm1 8.398 ppm2 8.619
ASSI (
(( segid " " and resid 50 and name H ))
)(
(( segid " " and resid 51 and name H ))
)
2.800 1.000 1.000 peak 616 weight 0.10000E+01 volume 0.64500E+00 ppm1 8.597 ppm2 7.580
ASSI (
(( segid " " and resid 50 and name H ))
)(
(( segid " " and resid 49 and name HA ))
)
2.700 0.900 0.900 peak 617 weight 0.10000E+01 volume 0.80300E+00 ppm1 8.600 ppm2 4.715
ASSI (
(( segid " " and resid 17 and name H ))
)(
(( segid " " and resid 17 and name HA ))
)
2.800 1.000 1.000 peak 625 weight 0.10000E+01 volume 0.71600E+00 ppm1 8.810 ppm2 5.506
ASSI (
(( segid " " and resid 16 and name H ))
)(
(( segid " " and resid 16 and name HA ))
)
2.800 1.000 1.000 peak 627 weight 0.10000E+01 volume 0.69700E+00 ppm1 8.866 ppm2 4.725
ASSI (
(( segid " " and resid 17 and name H ))
)(
(( segid " " and resid 16 and name HA ))
)
2.600 0.800 0.800 peak 628 weight 0.10000E+01 volume 0.10480E+01 ppm1 8.823 ppm2 4.724
ASSI (
(( segid " " and resid 16 and name H ))
)(
(( segid " " and resid 16 and name HB ))
)
2.900 1.100 1.100 peak 629 weight 0.10000E+01 volume 0.51400E+00 ppm1 8.879 ppm2 3.901
ASSI (
(( segid " " and resid 17 and name H ))
)(
(( segid " " and resid 16 and name HB ))
)
3.200 1.300 1.300 peak 630 weight 0.10000E+01 volume 0.29800E+00 ppm1 8.821 ppm2 3.900
ASSI (
(( segid " " and resid 16 and name H ))
)(
(( segid " " and resid 112 and name HA ))
)
3.000 1.100 1.100 peak 631 weight 0.10000E+01 volume 0.48100E+00 ppm1 8.880 ppm2 3.745
ASSI (
(( segid " " and resid 17 and name H ))
)(
(( segid " " and resid 20 and name HB2 ))
)
2.900 1.100 1.100 peak 636 weight 0.10000E+01 volume 0.55400E+00 ppm1 8.817 ppm2 1.913
ASSI (
(( segid " " and resid 81 and name H ))
)(
(( segid " " and resid 80 and name HA ))
)
2.600 0.800 0.800 peak 643 weight 0.10000E+01 volume 0.11460E+01 ppm1 8.984 ppm2 4.795
ASSI (
(( segid " " and resid 81 and name H ))
)(
(( segid " " and resid 81 and name HA ))
)
2.700 0.900 0.900 peak 644 weight 0.10000E+01 volume 0.79300E+00 ppm1 8.974 ppm2 4.411
ASSI (
(( segid " " and resid 81 and name H ))
)(
(( segid " " and resid 81 and name HB2 ))
)
2.600 0.800 0.800 peak 647 weight 0.10000E+01 volume 0.10630E+01 ppm1 8.980 ppm2 1.725
ASSI (
(( segid " " and resid 87 and name H ))
)(
(( segid " " and resid 86 and name HA ))
)
2.300 0.700 0.700 peak 665 weight 0.10000E+01 volume 0.22530E+01 ppm1 9.199 ppm2 5.267
ASSI (
(( segid " " and resid 87 and name H ))
)(
(( segid " " and resid 87 and name HA ))
)
2.900 1.100 1.100 peak 666 weight 0.10000E+01 volume 0.60300E+00 ppm1 9.198 ppm2 4.852
ASSI (
(( segid " " and resid 87 and name H ))
)(
(( segid " " and resid 87 and name HB ))
)
2.800 1.000 1.000 peak 667 weight 0.10000E+01 volume 0.68700E+00 ppm1 9.194 ppm2 3.855
ASSI (
(( segid " " and resid 87 and name H ))
)(
(( segid " " and resid 86 and name HB2 ))
)
3.100 1.200 1.200 peak 669 weight 0.10000E+01 volume 0.34300E+00 ppm1 9.189 ppm2 2.501
ASSI (
(( segid " " and resid 91 and name H ))
)(
(( segid " " and resid 37 and name H ))
)
2.800 1.000 1.000 peak 671 weight 0.10000E+01 volume 0.65000E+00 ppm1 9.423 ppm2 9.107
ASSI (
(( segid " " and resid 102 and name H ))
)(
(( segid " " and resid 103 and name H ))
)
2.600 0.800 0.800 peak 680 weight 0.10000E+01 volume 0.98600E+00 ppm1 8.852 ppm2 7.777
ASSI (
(( segid " " and resid 102 and name H ))
)(
(( segid " " and resid 100 and name HB3 ))
)
3.000 1.100 1.100 peak 685 weight 0.10000E+01 volume 0.46100E+00 ppm1 8.850 ppm2 1.494
ASSI (
(( segid " " and resid 69 and name H ))
)(
(( segid " " and resid 68 and name HA ))
)
2.200 0.600 0.600 peak 699 weight 0.10000E+01 volume 0.27520E+01 ppm1 8.522 ppm2 4.104
ASSI (
(( segid " " and resid 41 and name H ))
)(
(( segid " " and resid 41 and name HA ))
)
2.400 0.700 0.700 peak 710 weight 0.10000E+01 volume 0.15760E+01 ppm1 8.627 ppm2 4.493
ASSI (
(( segid " " and resid 75 and name H ))
)(
(( segid " " and resid 75 and name HB ))
)
2.500 0.800 0.800 peak 713 weight 0.10000E+01 volume 0.11630E+01 ppm1 8.854 ppm2 1.865
ASSI (
(( segid " " and resid 75 and name H ))
)(
(( segid " " and resid 76 and name H ))
)
3.000 1.100 1.100 peak 718 weight 0.10000E+01 volume 0.39800E+00 ppm1 8.854 ppm2 9.189
ASSI (
(( segid " " and resid 112 and name H ))
)(
(( segid " " and resid 111 and name HA ))
)
2.400 0.700 0.700 peak 720 weight 0.10000E+01 volume 0.19570E+01 ppm1 8.775 ppm2 4.776
ASSI (
(( segid " " and resid 103 and name HD22))
)(
(( segid " " and resid 103 and name HA ))
)
2.700 0.900 0.900 peak 721 weight 0.10000E+01 volume 0.91400E+00 ppm1 7.763 ppm2 4.850
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 10 and name HB2 ))
)
3.300 1.400 1.400 peak 727 weight 0.10000E+01 volume 0.23300E+00 ppm1 7.944 ppm2 3.012
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 10 and name HB3 ))
)
3.300 1.400 1.400 peak 728 weight 0.10000E+01 volume 0.22300E+00 ppm1 7.945 ppm2 2.850
ASSI (
(( segid " " and resid 8 and name H ))
)(
(( segid " " and resid 7 and name H ))
)
3.500 1.500 1.500 peak 732 weight 0.10000E+01 volume 0.16700E+00 ppm1 8.463 ppm2 8.652
ASSI (
(( segid " " and resid 13 and name H ))
)(
(( segid " " and resid 13 and name HD1 ))
)
3.000 1.100 1.100 peak 735 weight 0.10000E+01 volume 0.48400E+00 ppm1 8.941 ppm2 7.173
ASSI (
(( segid " " and resid 10 and name HD22))
)(
(( segid " " and resid 10 and name HB2 ))
)
2.900 1.100 1.100 peak 743 weight 0.10000E+01 volume 0.50800E+00 ppm1 6.948 ppm2 3.012
ASSI (
(( segid " " and resid 10 and name HD21))
)(
(( segid " " and resid 10 and name H ))
)
3.100 1.200 1.200 peak 744 weight 0.10000E+01 volume 0.31100E+00 ppm1 7.676 ppm2 8.198
ASSI (
(( segid " " and resid 96 and name H ))
)(
(( segid " " and resid 95 and name HD3 ))
)
3.100 1.200 1.200 peak 746 weight 0.10000E+01 volume 0.36800E+00 ppm1 7.814 ppm2 4.053
ASSI (
(( segid " " and resid 29 and name HD22))
)(
(( segid " " and resid 29 and name HB2 ))
)
2.700 0.900 0.900 peak 747 weight 0.10000E+01 volume 0.78500E+00 ppm1 7.100 ppm2 3.011
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 11 and name HA ))
)
2.900 1.100 1.100 peak 748 weight 0.10000E+01 volume 0.58800E+00 ppm1 7.942 ppm2 4.937
ASSI (
(( segid " " and resid 11 and name H ))
)(
(( segid " " and resid 10 and name HA ))
)
2.500 0.800 0.800 peak 749 weight 0.10000E+01 volume 0.15180E+01 ppm1 7.944 ppm2 4.762
ASSI (
(( segid " " and resid 111 and name HD21))
)(
(( segid " " and resid 111 and name HB2 ))
)
2.700 0.900 0.900 peak 756 weight 0.10000E+01 volume 0.72200E+00 ppm1 7.678 ppm2 2.734
ASSI (
(( segid " " and resid 111 and name HD22))
)(
(( segid " " and resid 111 and name HB2 ))
)
3.100 1.200 1.200 peak 757 weight 0.10000E+01 volume 0.37600E+00 ppm1 6.672 ppm2 2.726
ASSI (
(( segid " " and resid 51 and name H ))
)(
(( segid " " and resid 52 and name H ))
)
2.400 0.700 0.700 peak 761 weight 0.10000E+01 volume 0.15580E+01 ppm1 7.588 ppm2 8.282
ASSI (
(( segid " " and resid 106 and name H ))
)(
(( segid " " and resid 106 and name HB2 ))
)
3.000 1.100 1.100 peak 763 weight 0.10000E+01 volume 0.39500E+00 ppm1 8.450 ppm2 2.702
ASSI (
(( segid " " and resid 93 and name H ))
)(
(( segid " " and resid 92 and name HD2 ))
)
3.100 1.200 1.200 peak 764 weight 0.10000E+01 volume 0.43500E+00 ppm1 8.209 ppm2 5.727
ASSI (
(( segid " " and resid 14 and name H ))
)(
(( segid " " and resid 110 and name H ))
)
3.000 1.100 1.100 peak 774 weight 0.10000E+01 volume 0.41800E+00 ppm1 8.827 ppm2 9.052
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