NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10390 |
1ppq   |
5900 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 971 and name HN ))
)
5.000 5.000 0.000 peak 1030 weight 0.10000E+01 volume -0.10800E+00 ppm1 8.305 ppm2 8.968
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 981 and name HE21))
)
5.000 5.000 0.000 peak 142 weight 0.10000E+01 volume 0.56500E+00 ppm1 7.633 ppm2 7.541
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 983 and name HN ))
)
5.000 5.000 0.000 peak 116 weight 0.10000E+01 volume -0.27800E+00 ppm1 8.662 ppm2 9.191
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1003 and name HN ))
)
5.000 5.000 0.000 peak 480 weight 0.10000E+01 volume 0.21700E+00 ppm1 7.225 ppm2 8.873
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1014 and name HN ))
)
5.000 5.000 0.000 peak 479 weight 0.10000E+01 volume 0.12060E+01 ppm1 7.225 ppm2 9.684
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 988 and name HB1 ))
)
5.000 5.000 0.000 peak 570 weight 0.10000E+01 volume 0.77500E+00 ppm1 8.891 ppm2 2.618
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 1013 and name HE1 ))
)
5.000 5.000 0.000 peak 399 weight 0.10000E+01 volume 0.45700E+00 ppm1 8.421 ppm2 10.392
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1014 and name HN ))
)
5.000 5.000 0.000 peak 382 weight 0.10000E+01 volume 0.99100E+00 ppm1 8.872 ppm2 9.683
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 962 and name HN ))
)
5.000 5.000 0.000 peak 337 weight 0.10000E+01 volume 0.74300E+00 ppm1 8.078 ppm2 7.984
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 1001 and name HN ))
)
6.000 6.000 0.000 peak 2228 weight 0.10000E+01 volume 0.69000E-01 ppm1 8.795 ppm2 7.743
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 975 and name HN ))
)
5.000 5.000 0.000 peak 137 weight 0.10000E+01 volume 0.60400E+00 ppm1 7.999 ppm2 8.862
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 978 and name HN ))
)
3.300 3.300 0.000 peak 617 weight 0.10000E+01 volume -0.20320E+01 ppm1 7.658 ppm2 9.306
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 980 and name HD13))
OR
(( segid " " and resid 980 and name HG23))
OR
(( segid " " and resid 980 and name HG22))
OR
(( segid " " and resid 980 and name HG21))
)
5.000 5.000 0.000 peak 1042 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.082 ppm2 0.928
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 1013 and name HZ2 ))
OR
(( segid " " and resid 1013 and name HE3 ))
)
5.000 5.000 0.000 peak 1040 weight 0.10000E+01 volume 0.26600E+00 ppm1 8.079 ppm2 7.174
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 964 and name HB2 ))
)
3.300 3.300 0.000 peak 408 weight 0.10000E+01 volume 0.16140E+01 ppm1 8.421 ppm2 1.801
ASSI (
(( segid " " and resid 965 and name HN ))
)(
(( segid " " and resid 980 and name HD13))
OR
(( segid " " and resid 980 and name HD12))
OR
(( segid " " and resid 980 and name HD11))
)
5.000 5.000 0.000 peak 236 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.412 ppm2 0.908
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 974 and name HG13))
OR
(( segid " " and resid 974 and name HG12))
OR
(( segid " " and resid 974 and name HG11))
)
5.000 5.000 0.000 peak 1033 weight 0.10000E+01 volume 0.26600E+00 ppm1 8.011 ppm2 0.582
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 967 and name HB2 ))
)
5.000 5.000 0.000 peak 207 weight 0.10000E+01 volume 0.80000E+00 ppm1 8.011 ppm2 1.754
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 967 and name HG2 ))
)
5.000 5.000 0.000 peak 1032 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.008 ppm2 1.898
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 967 and name HB1 ))
)
5.000 5.000 0.000 peak 206 weight 0.10000E+01 volume 0.68800E+00 ppm1 8.011 ppm2 2.137
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 969 and name HD1 ))
)
5.000 5.000 0.000 peak 1034 weight 0.10000E+01 volume 0.14300E+00 ppm1 8.011 ppm2 3.929
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 991 and name HG23))
OR
(( segid " " and resid 991 and name HG22))
OR
(( segid " " and resid 991 and name HG21))
)
5.000 5.000 0.000 peak 1029 weight 0.10000E+01 volume 0.15800E+00 ppm1 8.965 ppm2 1.123
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 970 and name HA ))
)
2.700 2.700 0.000 peak 377 weight 0.10000E+01 volume 0.55460E+01 ppm1 8.972 ppm2 3.646
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 969 and name HB2 ))
)
5.000 5.000 0.000 peak 398 weight 0.10000E+01 volume -0.38800E+00 ppm1 7.881 ppm2 1.341
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1016 weight 0.10000E+01 volume -0.12400E+00 ppm1 8.868 ppm2 -0.640
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 974 and name HB ))
)
5.000 5.000 0.000 peak 1012 weight 0.10000E+01 volume -0.34400E+00 ppm1 8.866 ppm2 1.723
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 988 and name HA ))
)
5.000 5.000 0.000 peak 1010 weight 0.10000E+01 volume -0.51300E+00 ppm1 8.868 ppm2 5.394
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 977 and name HB ))
)
3.300 3.300 0.000 peak 553 weight 0.10000E+01 volume 0.15060E+01 ppm1 9.305 ppm2 1.969
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 976 and name HG23))
OR
(( segid " " and resid 976 and name HG22))
OR
(( segid " " and resid 976 and name HG21))
OR
(( segid " " and resid 976 and name HG13))
OR
(( segid " " and resid 976 and name HG12))
OR
(( segid " " and resid 976 and name HG11))
)
5.000 5.000 0.000 peak 150 weight 0.10000E+01 volume 0.28000E+00 ppm1 7.630 ppm2 0.737
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 980 and name HG12))
)
5.000 5.000 0.000 peak 1001 weight 0.10000E+01 volume 0.14900E+00 ppm1 7.879 ppm2 1.096
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 982 and name HG23))
OR
(( segid " " and resid 982 and name HG22))
OR
(( segid " " and resid 982 and name HG21))
)
2.700 2.700 0.000 peak 327 weight 0.10000E+01 volume 0.28500E+01 ppm1 7.744 ppm2 0.697
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)
5.000 5.000 0.000 peak 986 weight 0.10000E+01 volume 0.19200E+00 ppm1 8.294 ppm2 6.906
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)
5.000 5.000 0.000 peak 509 weight 0.10000E+01 volume 0.38400E+00 ppm1 8.809 ppm2 6.915
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 979 weight 0.10000E+01 volume 0.25900E+00 ppm1 8.003 ppm2 -0.654
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 988 and name HD2 ))
OR
(( segid " " and resid 988 and name HD1 ))
)
5.000 5.000 0.000 peak 411 weight 0.10000E+01 volume 0.69600E+00 ppm1 8.474 ppm2 6.629
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 994 and name HA ))
)
2.700 2.700 0.000 peak 685 weight 0.10000E+01 volume 0.31860E+01 ppm1 9.421 ppm2 5.115
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1022 and name HA ))
)
5.000 5.000 0.000 peak 687 weight 0.10000E+01 volume 0.30200E+00 ppm1 9.419 ppm2 3.721
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 996 and name HA ))
)
2.700 2.700 0.000 peak 286 weight 0.10000E+01 volume -0.33350E+01 ppm1 9.356 ppm2 4.609
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 996 and name HB2 ))
)
5.000 5.000 0.000 peak 707 weight 0.10000E+01 volume 0.32200E+00 ppm1 8.797 ppm2 1.497
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 999 and name HB2 ))
)
3.300 3.300 0.000 peak 709 weight 0.10000E+01 volume 0.27250E+01 ppm1 8.798 ppm2 3.146
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 988 and name HD2 ))
OR
(( segid " " and resid 988 and name HD1 ))
)
5.000 5.000 0.000 peak 943 weight 0.10000E+01 volume 0.22800E+00 ppm1 7.748 ppm2 6.620
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 1000 and name HA ))
)
5.000 5.000 0.000 peak 440 weight 0.10000E+01 volume 0.74900E+00 ppm1 7.751 ppm2 4.300
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 986 and name HG12))
)
5.000 5.000 0.000 peak 240 weight 0.10000E+01 volume 0.48800E+00 ppm1 8.334 ppm2 0.440
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
OR
(( segid " " and resid 986 and name HG11))
)
5.000 5.000 0.000 peak 241 weight 0.10000E+01 volume 0.79000E+00 ppm1 8.334 ppm2 0.579
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)
6.000 6.000 0.000 peak 942 weight 0.10000E+01 volume 0.49000E-01 ppm1 8.332 ppm2 6.927
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1013 and name HE3 ))
)
5.000 5.000 0.000 peak 383 weight 0.10000E+01 volume 0.23900E+00 ppm1 8.870 ppm2 7.116
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1013 and name HE3 ))
)
5.000 5.000 0.000 peak 109 weight 0.10000E+01 volume -0.40700E+00 ppm1 8.662 ppm2 7.127
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1013 and name HZ3 ))
)
5.000 5.000 0.000 peak 108 weight 0.10000E+01 volume -0.12380E+01 ppm1 8.663 ppm2 6.912
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1004 and name HB1 ))
)
3.300 3.300 0.000 peak 104 weight 0.10000E+01 volume -0.19270E+01 ppm1 8.662 ppm2 2.724
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1013 and name HZ2 ))
OR
(( segid " " and resid 1013 and name HE3 ))
)
5.000 5.000 0.000 peak 927 weight 0.10000E+01 volume -0.23500E+00 ppm1 8.861 ppm2 7.126
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1012 and name HN ))
)
5.000 5.000 0.000 peak 585 weight 0.10000E+01 volume -0.70400E+00 ppm1 8.859 ppm2 9.085
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1014 and name HN ))
)
5.000 5.000 0.000 peak 931 weight 0.10000E+01 volume -0.25200E+00 ppm1 8.859 ppm2 9.687
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1012 and name HD2 ))
)
5.000 5.000 0.000 peak 919 weight 0.10000E+01 volume 0.35700E+00 ppm1 8.508 ppm2 7.005
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1006 and name HD23))
OR
(( segid " " and resid 1006 and name HD22))
OR
(( segid " " and resid 1006 and name HD21))
OR
(( segid " " and resid 1006 and name HD13))
OR
(( segid " " and resid 1006 and name HD12))
OR
(( segid " " and resid 1006 and name HD11))
)
5.000 5.000 0.000 peak 454 weight 0.10000E+01 volume 0.36500E+00 ppm1 7.800 ppm2 0.686
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1009 and name HA ))
)
3.300 3.300 0.000 peak 744 weight 0.10000E+01 volume 0.15000E+01 ppm1 7.802 ppm2 4.679
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 966 and name HD2 ))
OR
(( segid " " and resid 966 and name HD1 ))
)
5.000 5.000 0.000 peak 613 weight 0.10000E+01 volume -0.29800E+00 ppm1 10.386 ppm2 3.581
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 965 and name HA ))
)
5.000 5.000 0.000 peak 611 weight 0.10000E+01 volume -0.40500E+00 ppm1 10.383 ppm2 4.100
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 965 and name HB ))
)
5.000 5.000 0.000 peak 612 weight 0.10000E+01 volume -0.52900E+00 ppm1 10.384 ppm2 3.965
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 964 and name HA ))
)
5.000 5.000 0.000 peak 1060 weight 0.10000E+01 volume -0.10700E+00 ppm1 10.388 ppm2 4.300
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)
5.000 5.000 0.000 peak 1059 weight 0.10000E+01 volume -0.13700E+00 ppm1 10.381 ppm2 6.891
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1013 and name HE3 ))
)
5.000 5.000 0.000 peak 670 weight 0.10000E+01 volume 0.51400E+00 ppm1 9.679 ppm2 7.121
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1019 and name HB ))
)
3.300 3.300 0.000 peak 537 weight 0.10000E+01 volume 0.20450E+01 ppm1 7.862 ppm2 1.754
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1019 and name HA ))
)
2.700 2.700 0.000 peak 350 weight 0.10000E+01 volume 0.47880E+01 ppm1 8.863 ppm2 4.356
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 1020 and name HA ))
)
2.700 2.700 0.000 peak 90 weight 0.10000E+01 volume -0.54410E+01 ppm1 9.125 ppm2 5.323
ASSI (
(( segid " " and resid 1022 and name HN ))
)(
(( segid " " and resid 994 and name HD2 ))
)
5.000 5.000 0.000 peak 1050 weight 0.10000E+01 volume -0.22800E+00 ppm1 9.128 ppm2 6.519
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1022 and name HG2 ))
)
5.000 5.000 0.000 peak 639 weight 0.10000E+01 volume -0.45000E+00 ppm1 7.901 ppm2 1.235
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1022 and name HD2 ))
OR
(( segid " " and resid 1022 and name HD1 ))
)
5.000 5.000 0.000 peak 635 weight 0.10000E+01 volume -0.24100E+00 ppm1 7.899 ppm2 3.005
ASSI (
(( segid " " and resid 960 and name HN ))
)(
(( segid " " and resid 960 and name HA ))
)
3.300 3.300 0.000 peak 646 weight 0.10000E+01 volume -0.13230E+01 ppm1 8.288 ppm2 4.284
ASSI (
(( segid " " and resid 960 and name HN ))
)(
(( segid " " and resid 960 and name HB3 ))
OR
(( segid " " and resid 960 and name HB2 ))
OR
(( segid " " and resid 960 and name HB1 ))
)
5.000 5.000 0.000 peak 648 weight 0.10000E+01 volume -0.70500E+00 ppm1 8.288 ppm2 1.303
ASSI (
(( segid " " and resid 961 and name HN ))
)(
(( segid " " and resid 960 and name HB3 ))
OR
(( segid " " and resid 960 and name HB2 ))
OR
(( segid " " and resid 960 and name HB1 ))
)
5.000 5.000 0.000 peak 255 weight 0.10000E+01 volume 0.49600E+00 ppm1 8.274 ppm2 1.306
ASSI (
(( segid " " and resid 961 and name HN ))
)(
(( segid " " and resid 961 and name HA ))
)
3.300 3.300 0.000 peak 249 weight 0.10000E+01 volume 0.26970E+01 ppm1 8.275 ppm2 4.303
ASSI (
(( segid " " and resid 961 and name HN ))
)(
(( segid " " and resid 961 and name HB2 ))
OR
(( segid " " and resid 961 and name HB1 ))
)
5.000 5.000 0.000 peak 253 weight 0.10000E+01 volume 0.10440E+01 ppm1 8.274 ppm2 1.622
ASSI (
(( segid " " and resid 961 and name HN ))
)(
(( segid " " and resid 961 and name HG2 ))
OR
(( segid " " and resid 961 and name HG1 ))
)
5.000 5.000 0.000 peak 254 weight 0.10000E+01 volume 0.42900E+00 ppm1 8.275 ppm2 1.377
ASSI (
(( segid " " and resid 961 and name HN ))
)(
(( segid " " and resid 962 and name HN ))
)
5.000 5.000 0.000 peak 248 weight 0.10000E+01 volume 0.48700E+00 ppm1 8.275 ppm2 7.983
ASSI (
(( segid " " and resid 962 and name HN ))
)(
(( segid " " and resid 961 and name HA ))
)
2.700 2.700 0.000 peak 455 weight 0.10000E+01 volume 0.45730E+01 ppm1 7.987 ppm2 4.290
ASSI (
(( segid " " and resid 962 and name HN ))
)(
(( segid " " and resid 961 and name HB2 ))
OR
(( segid " " and resid 961 and name HB1 ))
)
5.000 5.000 0.000 peak 460 weight 0.10000E+01 volume 0.87500E+00 ppm1 7.992 ppm2 1.641
ASSI (
(( segid " " and resid 962 and name HN ))
)(
(( segid " " and resid 961 and name HG2 ))
OR
(( segid " " and resid 961 and name HG1 ))
)
5.000 5.000 0.000 peak 1044 weight 0.10000E+01 volume 0.20800E+00 ppm1 7.992 ppm2 1.354
ASSI (
(( segid " " and resid 962 and name HN ))
)(
(( segid " " and resid 962 and name HB1 ))
)
5.000 5.000 0.000 peak 457 weight 0.10000E+01 volume 0.42500E+00 ppm1 7.988 ppm2 3.692
ASSI (
(( segid " " and resid 962 and name HN ))
)(
(( segid " " and resid 962 and name HB2 ))
)
5.000 5.000 0.000 peak 458 weight 0.10000E+01 volume 0.77000E+00 ppm1 7.988 ppm2 3.571
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 961 and name HG2 ))
OR
(( segid " " and resid 961 and name HG1 ))
)
5.000 5.000 0.000 peak 1041 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.078 ppm2 1.377
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 962 and name HB1 ))
)
5.000 5.000 0.000 peak 342 weight 0.10000E+01 volume 0.75500E+00 ppm1 8.079 ppm2 3.697
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 962 and name HB2 ))
)
5.000 5.000 0.000 peak 341 weight 0.10000E+01 volume 0.84400E+00 ppm1 8.079 ppm2 3.573
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 963 and name HA ))
)
5.000 5.000 0.000 peak 339 weight 0.10000E+01 volume 0.89300E+00 ppm1 8.077 ppm2 4.075
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 963 and name HB1 ))
)
5.000 5.000 0.000 peak 346 weight 0.10000E+01 volume 0.12300E+01 ppm1 8.077 ppm2 2.164
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 963 and name HB2 ))
)
3.300 3.300 0.000 peak 347 weight 0.10000E+01 volume 0.23950E+01 ppm1 8.079 ppm2 2.072
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 980 and name HB ))
)
5.000 5.000 0.000 peak 345 weight 0.10000E+01 volume 0.33700E+00 ppm1 8.079 ppm2 2.340
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 981 and name HA ))
)
5.000 5.000 0.000 peak 338 weight 0.10000E+01 volume 0.78700E+00 ppm1 8.078 ppm2 4.405
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 982 and name HN ))
)
5.000 5.000 0.000 peak 336 weight 0.10000E+01 volume 0.27800E+00 ppm1 8.080 ppm2 7.750
ASSI (
(( segid " " and resid 963 and name HN ))
)(
(( segid " " and resid 1011 and name HB3 ))
OR
(( segid " " and resid 1011 and name HB2 ))
OR
(( segid " " and resid 1011 and name HB1 ))
)
5.000 5.000 0.000 peak 1043 weight 0.10000E+01 volume 0.33600E+00 ppm1 8.080 ppm2 0.803
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 963 and name HA ))
)
2.700 2.700 0.000 peak 402 weight 0.10000E+01 volume 0.33400E+01 ppm1 8.422 ppm2 4.072
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 963 and name HB1 ))
)
3.300 3.300 0.000 peak 404 weight 0.10000E+01 volume 0.16410E+01 ppm1 8.426 ppm2 2.158
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 963 and name HB2 ))
)
5.000 5.000 0.000 peak 403 weight 0.10000E+01 volume 0.71600E+00 ppm1 8.425 ppm2 2.073
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 964 and name HA ))
)
5.000 5.000 0.000 peak 401 weight 0.10000E+01 volume 0.91400E+00 ppm1 8.423 ppm2 4.306
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 964 and name HB1 ))
)
5.000 5.000 0.000 peak 913 weight 0.10000E+01 volume 0.76600E+00 ppm1 8.423 ppm2 1.885
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 964 and name HD2 ))
OR
(( segid " " and resid 964 and name HD1 ))
)
5.000 5.000 0.000 peak 1036 weight 0.10000E+01 volume 0.30400E+00 ppm1 8.421 ppm2 1.690
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 964 and name HG2 ))
OR
(( segid " " and resid 964 and name HG1 ))
)
5.000 5.000 0.000 peak 409 weight 0.10000E+01 volume 0.84100E+00 ppm1 8.421 ppm2 1.533
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 1011 and name HB3 ))
OR
(( segid " " and resid 1011 and name HB2 ))
OR
(( segid " " and resid 1011 and name HB1 ))
)
5.000 5.000 0.000 peak 1037 weight 0.10000E+01 volume 0.16300E+00 ppm1 8.422 ppm2 0.806
ASSI (
(( segid " " and resid 964 and name HN ))
)(
(( segid " " and resid 1013 and name HD1 ))
)
5.000 5.000 0.000 peak 1038 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.421 ppm2 7.399
ASSI (
(( segid " " and resid 965 and name HN ))
)(
(( segid " " and resid 964 and name HA ))
)
3.300 3.300 0.000 peak 231 weight 0.10000E+01 volume 0.19340E+01 ppm1 8.408 ppm2 4.307
ASSI (
(( segid " " and resid 965 and name HN ))
)(
(( segid " " and resid 964 and name HB1 ))
)
5.000 5.000 0.000 peak 234 weight 0.10000E+01 volume 0.33200E+00 ppm1 8.411 ppm2 1.881
ASSI (
(( segid " " and resid 965 and name HN ))
)(
(( segid " " and resid 964 and name HB2 ))
)
5.000 5.000 0.000 peak 235 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.414 ppm2 1.798
ASSI (
(( segid " " and resid 965 and name HN ))
)(
(( segid " " and resid 965 and name HA ))
)
5.000 5.000 0.000 peak 232 weight 0.10000E+01 volume 0.37900E+00 ppm1 8.411 ppm2 4.118
ASSI (
(( segid " " and resid 965 and name HN ))
)(
(( segid " " and resid 965 and name HB ))
)
5.000 5.000 0.000 peak 233 weight 0.10000E+01 volume 0.98000E+00 ppm1 8.409 ppm2 3.944
ASSI (
(( segid " " and resid 965 and name HN ))
)(
(( segid " " and resid 965 and name HG23))
OR
(( segid " " and resid 965 and name HG22))
OR
(( segid " " and resid 965 and name HG21))
)
5.000 5.000 0.000 peak 237 weight 0.10000E+01 volume 0.14700E+00 ppm1 8.409 ppm2 1.168
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 967 and name HA ))
)
2.700 2.700 0.000 peak 202 weight 0.10000E+01 volume 0.50090E+01 ppm1 8.011 ppm2 4.467
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 968 and name HB1 ))
)
5.000 5.000 0.000 peak 204 weight 0.10000E+01 volume 0.11260E+01 ppm1 8.011 ppm2 2.722
ASSI (
(( segid " " and resid 968 and name HN ))
)(
(( segid " " and resid 968 and name HB2 ))
)
3.300 3.300 0.000 peak 205 weight 0.10000E+01 volume 0.24590E+01 ppm1 8.011 ppm2 2.289
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 969 and name HA ))
)
2.700 2.700 0.000 peak 649 weight 0.10000E+01 volume -0.46630E+01 ppm1 8.309 ppm2 4.342
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 969 and name HB1 ))
)
5.000 5.000 0.000 peak 652 weight 0.10000E+01 volume -0.43900E+00 ppm1 8.309 ppm2 2.163
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 969 and name HB2 ))
)
5.000 5.000 0.000 peak 655 weight 0.10000E+01 volume -0.48300E+00 ppm1 8.311 ppm2 1.344
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 970 and name HA ))
)
5.000 5.000 0.000 peak 651 weight 0.10000E+01 volume -0.10090E+01 ppm1 8.307 ppm2 3.651
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 970 and name HB ))
)
2.700 2.700 0.000 peak 653 weight 0.10000E+01 volume -0.31370E+01 ppm1 8.310 ppm2 1.821
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 970 and name HG13))
OR
(( segid " " and resid 970 and name HG12))
OR
(( segid " " and resid 970 and name HG11))
)
3.300 3.300 0.000 peak 656 weight 0.10000E+01 volume -0.24600E+01 ppm1 8.311 ppm2 1.004
ASSI (
(( segid " " and resid 970 and name HN ))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
5.000 5.000 0.000 peak 657 weight 0.10000E+01 volume -0.59800E+00 ppm1 8.311 ppm2 0.907
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 970 and name HB ))
)
5.000 5.000 0.000 peak 1028 weight 0.10000E+01 volume 0.23900E+00 ppm1 8.969 ppm2 1.821
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 970 and name HG13))
OR
(( segid " " and resid 970 and name HG12))
OR
(( segid " " and resid 970 and name HG11))
)
5.000 5.000 0.000 peak 380 weight 0.10000E+01 volume 0.40900E+00 ppm1 8.968 ppm2 1.014
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
3.300 3.300 0.000 peak 381 weight 0.10000E+01 volume 0.15350E+01 ppm1 8.969 ppm2 0.915
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 971 and name HA ))
)
2.700 2.700 0.000 peak 375 weight 0.10000E+01 volume 0.42880E+01 ppm1 8.967 ppm2 4.053
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 971 and name HB1 ))
)
5.000 5.000 0.000 peak 971 weight 0.10000E+01 volume 0.27000E+00 ppm1 8.967 ppm2 2.729
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 971 and name HB2 ))
)
5.000 5.000 0.000 peak 379 weight 0.10000E+01 volume 0.41900E+00 ppm1 8.968 ppm2 1.557
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 971 and name HD21))
)
5.000 5.000 0.000 peak 1027 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.971 ppm2 7.467
ASSI (
(( segid " " and resid 971 and name HN ))
)(
(( segid " " and resid 972 and name HN ))
)
3.300 3.300 0.000 peak 374 weight 0.10000E+01 volume 0.13750E+01 ppm1 8.967 ppm2 7.883
ASSI (
(( segid " " and resid 971 and name HD21))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
5.000 5.000 0.000 peak 525 weight 0.10000E+01 volume 0.45300E+00 ppm1 7.465 ppm2 0.919
ASSI (
(( segid " " and resid 971 and name HD22))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
5.000 5.000 0.000 peak 526 weight 0.10000E+01 volume 0.43000E+00 ppm1 6.930 ppm2 0.921
ASSI (
(( segid " " and resid 971 and name HD21))
)(
(( segid " " and resid 971 and name HB1 ))
)
5.000 5.000 0.000 peak 523 weight 0.10000E+01 volume 0.92800E+00 ppm1 7.463 ppm2 2.740
ASSI (
(( segid " " and resid 971 and name HD22))
)(
(( segid " " and resid 971 and name HB1 ))
)
5.000 5.000 0.000 peak 528 weight 0.10000E+01 volume 0.44800E+00 ppm1 6.930 ppm2 2.729
ASSI (
(( segid " " and resid 971 and name HD21))
)(
(( segid " " and resid 971 and name HB2 ))
)
5.000 5.000 0.000 peak 524 weight 0.10000E+01 volume 0.41700E+00 ppm1 7.467 ppm2 1.570
ASSI (
(( segid " " and resid 971 and name HD22))
)(
(( segid " " and resid 971 and name HB2 ))
)
5.000 5.000 0.000 peak 527 weight 0.10000E+01 volume 0.21800E+00 ppm1 6.928 ppm2 1.554
ASSI (
(( segid " " and resid 971 and name HD21))
)(
(( segid " " and resid 971 and name HD22))
)
2.700 2.700 0.000 peak 522 weight 0.10000E+01 volume 0.75030E+01 ppm1 7.464 ppm2 6.935
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 970 and name HA ))
)
5.000 5.000 0.000 peak 397 weight 0.10000E+01 volume -0.49400E+00 ppm1 7.877 ppm2 3.646
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 971 and name HA ))
)
5.000 5.000 0.000 peak 396 weight 0.10000E+01 volume -0.10790E+01 ppm1 7.879 ppm2 4.053
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 971 and name HB1 ))
)
5.000 5.000 0.000 peak 1024 weight 0.10000E+01 volume -0.19700E+00 ppm1 7.878 ppm2 2.720
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 971 and name HB2 ))
)
5.000 5.000 0.000 peak 1025 weight 0.10000E+01 volume -0.19300E+00 ppm1 7.878 ppm2 1.583
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 972 and name HA1 ))
)
5.000 5.000 0.000 peak 395 weight 0.10000E+01 volume -0.77600E+00 ppm1 7.881 ppm2 4.454
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 972 and name HA2 ))
)
5.000 5.000 0.000 peak 394 weight 0.10000E+01 volume -0.10300E+01 ppm1 7.880 ppm2 4.230
ASSI (
(( segid " " and resid 972 and name HN ))
)(
(( segid " " and resid 990 and name HA ))
)
5.000 5.000 0.000 peak 1022 weight 0.10000E+01 volume -0.13800E+00 ppm1 7.876 ppm2 5.419
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 972 and name HA1 ))
)
3.300 3.300 0.000 peak 496 weight 0.10000E+01 volume 0.15740E+01 ppm1 8.690 ppm2 4.454
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 972 and name HA2 ))
)
3.300 3.300 0.000 peak 495 weight 0.10000E+01 volume 0.18960E+01 ppm1 8.693 ppm2 4.229
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 972 and name HN ))
)
5.000 5.000 0.000 peak 1019 weight 0.10000E+01 volume 0.24100E+00 ppm1 8.698 ppm2 7.879
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 973 and name HA ))
)
5.000 5.000 0.000 peak 494 weight 0.10000E+01 volume 0.48500E+00 ppm1 8.695 ppm2 4.810
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 973 and name HB1 ))
)
5.000 5.000 0.000 peak 907 weight 0.10000E+01 volume 0.50200E+00 ppm1 8.697 ppm2 1.705
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 973 and name HB2 ))
)
5.000 5.000 0.000 peak 504 weight 0.10000E+01 volume 0.51900E+00 ppm1 8.696 ppm2 1.632
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 973 and name HE3 ))
OR
(( segid " " and resid 973 and name HE2 ))
OR
(( segid " " and resid 973 and name HE1 ))
)
5.000 5.000 0.000 peak 1020 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.700 ppm2 3.279
ASSI (
(( segid " " and resid 973 and name HN ))
)(
(( segid " " and resid 973 and name HG1 ))
)
5.000 5.000 0.000 peak 1021 weight 0.10000E+01 volume 0.31700E+00 ppm1 8.694 ppm2 2.187
ASSI (
(( segid " " and resid 974 and name HN ))
)(
(( segid " " and resid 968 and name HB1 ))
)
5.000 5.000 0.000 peak 1018 weight 0.10000E+01 volume 0.26700E+00 ppm1 8.496 ppm2 2.719
ASSI (
(( segid " " and resid 974 and name HN ))
)(
(( segid " " and resid 973 and name HA ))
)
2.700 2.700 0.000 peak 256 weight 0.10000E+01 volume 0.36520E+01 ppm1 8.498 ppm2 4.819
ASSI (
(( segid " " and resid 974 and name HN ))
)(
(( segid " " and resid 973 and name HB2 ))
)
5.000 5.000 0.000 peak 1017 weight 0.10000E+01 volume 0.52400E+00 ppm1 8.498 ppm2 1.653
ASSI (
(( segid " " and resid 974 and name HN ))
)(
(( segid " " and resid 974 and name HA ))
)
5.000 5.000 0.000 peak 257 weight 0.10000E+01 volume 0.50400E+00 ppm1 8.496 ppm2 4.461
ASSI (
(( segid " " and resid 974 and name HN ))
)(
(( segid " " and resid 974 and name HB ))
)
5.000 5.000 0.000 peak 259 weight 0.10000E+01 volume 0.12030E+01 ppm1 8.498 ppm2 1.729
ASSI (
(( segid " " and resid 974 and name HN ))
)(
(( segid " " and resid 974 and name HG13))
OR
(( segid " " and resid 974 and name HG12))
OR
(( segid " " and resid 974 and name HG11))
)
3.300 3.300 0.000 peak 262 weight 0.10000E+01 volume 0.19300E+01 ppm1 8.496 ppm2 0.579
ASSI (
(( segid " " and resid 974 and name HN ))
)(
(( segid " " and resid 974 and name HG23))
OR
(( segid " " and resid 974 and name HG22))
OR
(( segid " " and resid 974 and name HG21))
)
5.000 5.000 0.000 peak 263 weight 0.10000E+01 volume 0.36300E+00 ppm1 8.496 ppm2 0.233
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 974 and name HA ))
)
2.700 2.700 0.000 peak 111 weight 0.10000E+01 volume -0.40310E+01 ppm1 8.861 ppm2 4.460
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 974 and name HG13))
OR
(( segid " " and resid 974 and name HG12))
OR
(( segid " " and resid 974 and name HG11))
)
5.000 5.000 0.000 peak 1014 weight 0.10000E+01 volume -0.58600E+00 ppm1 8.868 ppm2 0.588
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 974 and name HG23))
OR
(( segid " " and resid 974 and name HG22))
OR
(( segid " " and resid 974 and name HG21))
)
3.300 3.300 0.000 peak 114 weight 0.10000E+01 volume -0.17570E+01 ppm1 8.862 ppm2 0.228
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 975 and name HA ))
)
5.000 5.000 0.000 peak 97 weight 0.10000E+01 volume -0.40600E+00 ppm1 8.859 ppm2 4.624
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 975 and name HB1 ))
)
5.000 5.000 0.000 peak 112 weight 0.10000E+01 volume -0.11100E+01 ppm1 8.865 ppm2 3.157
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 975 and name HB2 ))
)
5.000 5.000 0.000 peak 113 weight 0.10000E+01 volume -0.77100E+00 ppm1 8.865 ppm2 2.774
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 975 and name HD2 ))
)
5.000 5.000 0.000 peak 96 weight 0.10000E+01 volume -0.73500E+00 ppm1 8.869 ppm2 6.642
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 976 and name HN ))
)
5.000 5.000 0.000 peak 1015 weight 0.10000E+01 volume -0.28900E+00 ppm1 8.867 ppm2 8.468
ASSI (
(( segid " " and resid 975 and name HN ))
)(
(( segid " " and resid 986 and name HG12))
OR
(( segid " " and resid 986 and name HG11))
)
5.000 5.000 0.000 peak 1013 weight 0.10000E+01 volume -0.26400E+00 ppm1 8.865 ppm2 1.309
ASSI (
(( segid " " and resid 976 and name HN ))
)(
(( segid " " and resid 975 and name HB1 ))
)
5.000 5.000 0.000 peak 749 weight 0.10000E+01 volume -0.30600E+00 ppm1 8.459 ppm2 3.158
ASSI (
(( segid " " and resid 976 and name HN ))
)(
(( segid " " and resid 975 and name HB2 ))
)
5.000 5.000 0.000 peak 748 weight 0.10000E+01 volume -0.30800E+00 ppm1 8.457 ppm2 2.782
ASSI (
(( segid " " and resid 976 and name HN ))
)(
(( segid " " and resid 976 and name HA ))
)
5.000 5.000 0.000 peak 122 weight 0.10000E+01 volume -0.70600E+00 ppm1 8.458 ppm2 3.980
ASSI (
(( segid " " and resid 976 and name HN ))
)(
(( segid " " and resid 976 and name HB ))
)
3.300 3.300 0.000 peak 121 weight 0.10000E+01 volume -0.26990E+01 ppm1 8.457 ppm2 1.917
ASSI (
(( segid " " and resid 976 and name HN ))
)(
(( segid " " and resid 976 and name HG23))
OR
(( segid " " and resid 976 and name HG22))
OR
(( segid " " and resid 976 and name HG21))
OR
(( segid " " and resid 976 and name HG13))
OR
(( segid " " and resid 976 and name HG12))
OR
(( segid " " and resid 976 and name HG11))
)
3.300 3.300 0.000 peak 120 weight 0.10000E+01 volume -0.19400E+01 ppm1 8.457 ppm2 0.740
ASSI (
(( segid " " and resid 976 and name HN ))
)(
(( segid " " and resid 977 and name HN ))
)
5.000 5.000 0.000 peak 1009 weight 0.10000E+01 volume -0.13400E+00 ppm1 8.464 ppm2 7.658
ASSI (
(( segid " " and resid 976 and name HN ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
)
5.000 5.000 0.000 peak 1008 weight 0.10000E+01 volume -0.29700E+00 ppm1 8.460 ppm2 0.605
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 976 and name HA ))
)
2.700 2.700 0.000 peak 618 weight 0.10000E+01 volume -0.35150E+01 ppm1 7.663 ppm2 3.984
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 977 and name HA ))
)
5.000 5.000 0.000 peak 619 weight 0.10000E+01 volume -0.10820E+01 ppm1 7.658 ppm2 3.898
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 977 and name HB ))
)
3.300 3.300 0.000 peak 625 weight 0.10000E+01 volume -0.15990E+01 ppm1 7.660 ppm2 1.963
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 977 and name HD13))
OR
(( segid " " and resid 977 and name HD12))
OR
(( segid " " and resid 977 and name HD11))
)
3.300 3.300 0.000 peak 624 weight 0.10000E+01 volume -0.13020E+01 ppm1 7.659 ppm2 0.735
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 977 and name HG11))
)
5.000 5.000 0.000 peak 621 weight 0.10000E+01 volume -0.10570E+01 ppm1 7.660 ppm2 1.512
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 977 and name HG12))
)
5.000 5.000 0.000 peak 622 weight 0.10000E+01 volume -0.97700E+00 ppm1 7.662 ppm2 1.172
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 977 and name HG23))
OR
(( segid " " and resid 977 and name HG22))
OR
(( segid " " and resid 977 and name HG21))
)
5.000 5.000 0.000 peak 623 weight 0.10000E+01 volume -0.39500E+00 ppm1 7.660 ppm2 0.960
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 986 and name HA ))
)
5.000 5.000 0.000 peak 1006 weight 0.10000E+01 volume -0.38500E+00 ppm1 7.667 ppm2 4.948
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 986 and name HG12))
OR
(( segid " " and resid 986 and name HG11))
)
5.000 5.000 0.000 peak 1007 weight 0.10000E+01 volume -0.12900E+00 ppm1 7.661 ppm2 1.307
ASSI (
(( segid " " and resid 977 and name HN ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
)
5.000 5.000 0.000 peak 630 weight 0.10000E+01 volume -0.57000E+00 ppm1 7.662 ppm2 0.623
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 976 and name HA ))
)
5.000 5.000 0.000 peak 551 weight 0.10000E+01 volume 0.26100E+00 ppm1 9.307 ppm2 3.992
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 977 and name HA ))
)
5.000 5.000 0.000 peak 552 weight 0.10000E+01 volume 0.53800E+00 ppm1 9.305 ppm2 3.890
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 977 and name HD13))
OR
(( segid " " and resid 977 and name HD12))
OR
(( segid " " and resid 977 and name HD11))
)
5.000 5.000 0.000 peak 557 weight 0.10000E+01 volume 0.66100E+00 ppm1 9.306 ppm2 0.737
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 977 and name HG23))
OR
(( segid " " and resid 977 and name HG22))
OR
(( segid " " and resid 977 and name HG21))
)
5.000 5.000 0.000 peak 556 weight 0.10000E+01 volume 0.45400E+00 ppm1 9.304 ppm2 0.953
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 978 and name HA ))
)
5.000 5.000 0.000 peak 548 weight 0.10000E+01 volume 0.71700E+00 ppm1 9.304 ppm2 4.409
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 978 and name HB ))
)
5.000 5.000 0.000 peak 549 weight 0.10000E+01 volume 0.45900E+00 ppm1 9.302 ppm2 4.222
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 978 and name HG23))
OR
(( segid " " and resid 978 and name HG22))
OR
(( segid " " and resid 978 and name HG21))
)
5.000 5.000 0.000 peak 555 weight 0.10000E+01 volume 0.74100E+00 ppm1 9.304 ppm2 1.177
ASSI (
(( segid " " and resid 978 and name HN ))
)(
(( segid " " and resid 979 and name HN ))
)
3.300 3.300 0.000 peak 545 weight 0.10000E+01 volume 0.13310E+01 ppm1 9.305 ppm2 8.639
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 976 and name HG23))
OR
(( segid " " and resid 976 and name HG22))
OR
(( segid " " and resid 976 and name HG21))
OR
(( segid " " and resid 976 and name HG13))
OR
(( segid " " and resid 976 and name HG12))
OR
(( segid " " and resid 976 and name HG11))
)
5.000 5.000 0.000 peak 373 weight 0.10000E+01 volume 0.44500E+00 ppm1 8.634 ppm2 0.734
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 978 and name HA ))
)
5.000 5.000 0.000 peak 364 weight 0.10000E+01 volume 0.78600E+00 ppm1 8.635 ppm2 4.408
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 978 and name HB ))
)
3.300 3.300 0.000 peak 365 weight 0.10000E+01 volume 0.16020E+01 ppm1 8.635 ppm2 4.228
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 978 and name HG23))
OR
(( segid " " and resid 978 and name HG22))
OR
(( segid " " and resid 978 and name HG21))
)
5.000 5.000 0.000 peak 371 weight 0.10000E+01 volume 0.50900E+00 ppm1 8.634 ppm2 1.179
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 979 and name HB1 ))
)
5.000 5.000 0.000 peak 368 weight 0.10000E+01 volume 0.39700E+00 ppm1 8.635 ppm2 3.043
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 979 and name HB2 ))
)
5.000 5.000 0.000 peak 369 weight 0.10000E+01 volume 0.54000E+00 ppm1 8.635 ppm2 2.709
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 980 and name HG12))
OR
(( segid " " and resid 980 and name HG11))
)
5.000 5.000 0.000 peak 372 weight 0.10000E+01 volume 0.23100E+00 ppm1 8.637 ppm2 0.963
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 980 and name HN ))
)
5.000 5.000 0.000 peak 1003 weight 0.10000E+01 volume 0.28700E+00 ppm1 8.633 ppm2 7.649
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 981 and name HN ))
)
5.000 5.000 0.000 peak 1004 weight 0.10000E+01 volume 0.16000E+00 ppm1 8.637 ppm2 7.883
ASSI (
(( segid " " and resid 979 and name HN ))
)(
(( segid " " and resid 984 and name HB2 ))
OR
(( segid " " and resid 984 and name HB1 ))
)
5.000 5.000 0.000 peak 366 weight 0.10000E+01 volume 0.73500E+00 ppm1 8.634 ppm2 4.087
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 979 and name HA ))
)
3.300 3.300 0.000 peak 144 weight 0.10000E+01 volume 0.17590E+01 ppm1 7.631 ppm2 4.590
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 979 and name HB1 ))
)
3.300 3.300 0.000 peak 145 weight 0.10000E+01 volume 0.27620E+01 ppm1 7.632 ppm2 3.039
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 979 and name HB2 ))
)
5.000 5.000 0.000 peak 146 weight 0.10000E+01 volume 0.11860E+01 ppm1 7.630 ppm2 2.705
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 980 and name HA ))
)
5.000 5.000 0.000 peak 143 weight 0.10000E+01 volume 0.87200E+00 ppm1 7.631 ppm2 4.892
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 980 and name HB ))
)
5.000 5.000 0.000 peak 1002 weight 0.10000E+01 volume 0.41200E+00 ppm1 7.637 ppm2 2.350
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 980 and name HD13))
OR
(( segid " " and resid 980 and name HD12))
OR
(( segid " " and resid 980 and name HD11))
)
5.000 5.000 0.000 peak 2169 weight 0.10000E+01 volume 0.42500E+00 ppm1 7.635 ppm2 0.893
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 980 and name HG11))
)
5.000 5.000 0.000 peak 147 weight 0.10000E+01 volume 0.93200E+00 ppm1 7.634 ppm2 1.386
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 980 and name HG12))
)
3.300 3.300 0.000 peak 148 weight 0.10000E+01 volume 0.17900E+01 ppm1 7.631 ppm2 1.091
ASSI (
(( segid " " and resid 980 and name HN ))
)(
(( segid " " and resid 980 and name HG23))
OR
(( segid " " and resid 980 and name HG22))
OR
(( segid " " and resid 980 and name HG21))
)
5.000 5.000 0.000 peak 149 weight 0.10000E+01 volume 0.86900E+00 ppm1 7.629 ppm2 0.974
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 979 and name HB1 ))
)
5.000 5.000 0.000 peak 427 weight 0.10000E+01 volume 0.41900E+00 ppm1 7.878 ppm2 3.043
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 979 and name HB2 ))
)
5.000 5.000 0.000 peak 1000 weight 0.10000E+01 volume 0.19200E+00 ppm1 7.879 ppm2 2.702
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 980 and name HA ))
)
3.300 3.300 0.000 peak 423 weight 0.10000E+01 volume 0.15340E+01 ppm1 7.877 ppm2 4.892
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 980 and name HG12))
OR
(( segid " " and resid 980 and name HG11))
)
5.000 5.000 0.000 peak 436 weight 0.10000E+01 volume 0.31800E+00 ppm1 7.881 ppm2 0.974
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 980 and name HN ))
)
3.300 3.300 0.000 peak 422 weight 0.10000E+01 volume 0.15510E+01 ppm1 7.879 ppm2 7.635
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 981 and name HA ))
)
5.000 5.000 0.000 peak 425 weight 0.10000E+01 volume 0.11870E+01 ppm1 7.879 ppm2 4.410
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 981 and name HB1 ))
)
5.000 5.000 0.000 peak 433 weight 0.10000E+01 volume 0.11390E+01 ppm1 7.879 ppm2 2.054
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 981 and name HB2 ))
)
3.300 3.300 0.000 peak 432 weight 0.10000E+01 volume 0.23610E+01 ppm1 7.878 ppm2 1.946
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 981 and name HG1 ))
)
5.000 5.000 0.000 peak 435 weight 0.10000E+01 volume 0.10520E+01 ppm1 7.879 ppm2 2.275
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 981 and name HG2 ))
)
5.000 5.000 0.000 peak 434 weight 0.10000E+01 volume 0.79300E+00 ppm1 7.877 ppm2 2.176
ASSI (
(( segid " " and resid 981 and name HN ))
)(
(( segid " " and resid 984 and name HB2 ))
OR
(( segid " " and resid 984 and name HB1 ))
)
5.000 5.000 0.000 peak 426 weight 0.10000E+01 volume 0.99400E+00 ppm1 7.879 ppm2 4.083
ASSI (
(( segid " " and resid 981 and name HE21))
)(
(( segid " " and resid 981 and name HE22))
)
2.700 2.700 0.000 peak 475 weight 0.10000E+01 volume 0.12134E+02 ppm1 7.504 ppm2 6.629
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 981 and name HA ))
)
2.700 2.700 0.000 peak 335 weight 0.10000E+01 volume 0.31690E+01 ppm1 7.745 ppm2 4.403
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 981 and name HB1 ))
)
3.300 3.300 0.000 peak 331 weight 0.10000E+01 volume 0.15520E+01 ppm1 7.746 ppm2 2.058
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 981 and name HB2 ))
)
5.000 5.000 0.000 peak 330 weight 0.10000E+01 volume 0.92000E+00 ppm1 7.742 ppm2 1.949
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 981 and name HG1 ))
)
5.000 5.000 0.000 peak 991 weight 0.10000E+01 volume 0.18800E+00 ppm1 7.744 ppm2 2.284
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 981 and name HG2 ))
)
5.000 5.000 0.000 peak 990 weight 0.10000E+01 volume 0.22700E+00 ppm1 7.742 ppm2 2.183
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 982 and name HA ))
)
5.000 5.000 0.000 peak 334 weight 0.10000E+01 volume 0.95400E+00 ppm1 7.744 ppm2 3.108
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 982 and name HB ))
)
2.700 2.700 0.000 peak 329 weight 0.10000E+01 volume 0.29780E+01 ppm1 7.744 ppm2 1.776
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 982 and name HG13))
OR
(( segid " " and resid 982 and name HG12))
OR
(( segid " " and resid 982 and name HG11))
)
5.000 5.000 0.000 peak 328 weight 0.10000E+01 volume 0.66200E+00 ppm1 7.743 ppm2 0.810
ASSI (
(( segid " " and resid 982 and name HN ))
)(
(( segid " " and resid 1004 and name HB2 ))
)
5.000 5.000 0.000 peak 997 weight 0.10000E+01 volume 0.36200E+00 ppm1 7.745 ppm2 1.642
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 982 and name HA ))
)
2.700 2.700 0.000 peak 701 weight 0.10000E+01 volume 0.43530E+01 ppm1 9.194 ppm2 3.107
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 982 and name HB ))
)
5.000 5.000 0.000 peak 703 weight 0.10000E+01 volume 0.34700E+00 ppm1 9.192 ppm2 1.781
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 982 and name HG13))
OR
(( segid " " and resid 982 and name HG12))
OR
(( segid " " and resid 982 and name HG11))
)
3.300 3.300 0.000 peak 705 weight 0.10000E+01 volume 0.16980E+01 ppm1 9.193 ppm2 0.806
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 982 and name HG23))
OR
(( segid " " and resid 982 and name HG22))
OR
(( segid " " and resid 982 and name HG21))
)
5.000 5.000 0.000 peak 706 weight 0.10000E+01 volume 0.51900E+00 ppm1 9.193 ppm2 0.690
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 982 and name HN ))
)
5.000 5.000 0.000 peak 992 weight 0.10000E+01 volume 0.14200E+00 ppm1 9.188 ppm2 7.741
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 983 and name HA1 ))
)
5.000 5.000 0.000 peak 699 weight 0.10000E+01 volume 0.10410E+01 ppm1 9.191 ppm2 4.429
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 983 and name HA2 ))
)
3.300 3.300 0.000 peak 700 weight 0.10000E+01 volume 0.17420E+01 ppm1 9.192 ppm2 3.808
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 984 and name HB2 ))
OR
(( segid " " and resid 984 and name HB1 ))
)
5.000 5.000 0.000 peak 995 weight 0.10000E+01 volume 0.15300E+00 ppm1 9.192 ppm2 4.070
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 1003 and name HG2 ))
OR
(( segid " " and resid 1003 and name HG1 ))
)
5.000 5.000 0.000 peak 994 weight 0.10000E+01 volume 0.22800E+00 ppm1 9.194 ppm2 2.070
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 1004 and name HB1 ))
)
5.000 5.000 0.000 peak 702 weight 0.10000E+01 volume 0.10540E+01 ppm1 9.194 ppm2 2.724
ASSI (
(( segid " " and resid 983 and name HN ))
)(
(( segid " " and resid 1004 and name HB2 ))
)
5.000 5.000 0.000 peak 704 weight 0.10000E+01 volume 0.45500E+00 ppm1 9.193 ppm2 1.660
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 982 and name HA ))
)
5.000 5.000 0.000 peak 198 weight 0.10000E+01 volume 0.64100E+00 ppm1 8.295 ppm2 3.110
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 982 and name HG13))
OR
(( segid " " and resid 982 and name HG12))
OR
(( segid " " and resid 982 and name HG11))
)
5.000 5.000 0.000 peak 988 weight 0.10000E+01 volume 0.22000E+00 ppm1 8.293 ppm2 0.807
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 982 and name HG23))
OR
(( segid " " and resid 982 and name HG22))
OR
(( segid " " and resid 982 and name HG21))
)
5.000 5.000 0.000 peak 989 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.295 ppm2 0.679
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 983 and name HA1 ))
)
5.000 5.000 0.000 peak 201 weight 0.10000E+01 volume 0.63900E+00 ppm1 8.296 ppm2 4.425
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 983 and name HA2 ))
)
5.000 5.000 0.000 peak 199 weight 0.10000E+01 volume 0.57100E+00 ppm1 8.295 ppm2 3.809
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 983 and name HN ))
)
3.300 3.300 0.000 peak 195 weight 0.10000E+01 volume 0.13610E+01 ppm1 8.292 ppm2 9.194
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 984 and name HA ))
)
3.300 3.300 0.000 peak 747 weight 0.10000E+01 volume 0.13440E+01 ppm1 8.296 ppm2 4.600
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 984 and name HB2 ))
OR
(( segid " " and resid 984 and name HB1 ))
)
2.700 2.700 0.000 peak 200 weight 0.10000E+01 volume 0.31980E+01 ppm1 8.294 ppm2 4.084
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 1003 and name HG2 ))
OR
(( segid " " and resid 1003 and name HG1 ))
)
5.000 5.000 0.000 peak 987 weight 0.10000E+01 volume 0.14600E+00 ppm1 8.298 ppm2 2.062
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 1004 and name HB1 ))
)
5.000 5.000 0.000 peak 197 weight 0.10000E+01 volume 0.10250E+01 ppm1 8.295 ppm2 2.726
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 1004 and name HB2 ))
)
5.000 5.000 0.000 peak 196 weight 0.10000E+01 volume 0.49000E+00 ppm1 8.295 ppm2 1.664
ASSI (
(( segid " " and resid 984 and name HN ))
)(
(( segid " " and resid 1004 and name HN ))
)
5.000 5.000 0.000 peak 996 weight 0.10000E+01 volume 0.20100E+00 ppm1 8.293 ppm2 8.655
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 984 and name HA ))
)
2.700 2.700 0.000 peak 81 weight 0.10000E+01 volume 0.60500E+01 ppm1 8.541 ppm2 4.591
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 984 and name HB2 ))
OR
(( segid " " and resid 984 and name HB1 ))
)
3.300 3.300 0.000 peak 82 weight 0.10000E+01 volume 0.23490E+01 ppm1 8.541 ppm2 4.083
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 985 and name HA ))
)
5.000 5.000 0.000 peak 217 weight 0.10000E+01 volume 0.78200E+00 ppm1 8.541 ppm2 5.689
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 985 and name HB1 ))
)
3.300 3.300 0.000 peak 2218 weight 0.10000E+01 volume 0.13810E+01 ppm1 8.542 ppm2 1.829
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 985 and name HB2 ))
)
3.300 3.300 0.000 peak 218 weight 0.10000E+01 volume 0.16070E+01 ppm1 8.543 ppm2 1.763
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 985 and name HD2 ))
OR
(( segid " " and resid 985 and name HD1 ))
)
5.000 5.000 0.000 peak 985 weight 0.10000E+01 volume 0.14800E+00 ppm1 8.543 ppm2 3.156
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 985 and name HG1 ))
)
5.000 5.000 0.000 peak 984 weight 0.10000E+01 volume 0.26700E+00 ppm1 8.542 ppm2 1.684
ASSI (
(( segid " " and resid 985 and name HN ))
)(
(( segid " " and resid 985 and name HG2 ))
)
5.000 5.000 0.000 peak 219 weight 0.10000E+01 volume 0.29900E+00 ppm1 8.541 ppm2 1.533
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 985 and name HA ))
)
2.700 2.700 0.000 peak 510 weight 0.10000E+01 volume 0.48020E+01 ppm1 8.809 ppm2 5.688
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 985 and name HB1 ))
)
5.000 5.000 0.000 peak 516 weight 0.10000E+01 volume 0.92600E+00 ppm1 8.812 ppm2 1.832
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 985 and name HB2 ))
)
5.000 5.000 0.000 peak 2221 weight 0.10000E+01 volume 0.37800E+00 ppm1 8.812 ppm2 1.772
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 985 and name HG1 ))
)
5.000 5.000 0.000 peak 515 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.812 ppm2 1.699
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 985 and name HG2 ))
)
5.000 5.000 0.000 peak 514 weight 0.10000E+01 volume 0.56600E+00 ppm1 8.811 ppm2 1.544
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 986 and name HA ))
)
5.000 5.000 0.000 peak 513 weight 0.10000E+01 volume 0.49900E+00 ppm1 8.810 ppm2 4.947
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 986 and name HB ))
)
5.000 5.000 0.000 peak 518 weight 0.10000E+01 volume 0.28900E+00 ppm1 8.812 ppm2 1.309
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 983 weight 0.10000E+01 volume 0.31600E+00 ppm1 8.812 ppm2 -0.638
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 986 and name HG11))
)
3.300 3.300 0.000 peak 519 weight 0.10000E+01 volume 0.14120E+01 ppm1 8.814 ppm2 0.582
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 986 and name HG12))
)
3.300 3.300 0.000 peak 520 weight 0.10000E+01 volume 0.16850E+01 ppm1 8.810 ppm2 0.443
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
)
3.300 3.300 0.000 peak 2233 weight 0.10000E+01 volume 0.14360E+01 ppm1 8.813 ppm2 0.604
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 1002 and name HN ))
)
5.000 5.000 0.000 peak 508 weight 0.10000E+01 volume 0.10350E+01 ppm1 8.810 ppm2 8.334
ASSI (
(( segid " " and resid 986 and name HN ))
)(
(( segid " " and resid 1003 and name HA ))
)
5.000 5.000 0.000 peak 511 weight 0.10000E+01 volume 0.73500E+00 ppm1 8.809 ppm2 5.550
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 974 and name HG23))
OR
(( segid " " and resid 974 and name HG22))
OR
(( segid " " and resid 974 and name HG21))
)
5.000 5.000 0.000 peak 136 weight 0.10000E+01 volume 0.31300E+00 ppm1 8.000 ppm2 0.230
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 975 and name HB1 ))
)
5.000 5.000 0.000 peak 130 weight 0.10000E+01 volume 0.55000E+00 ppm1 8.003 ppm2 3.156
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 975 and name HB2 ))
)
5.000 5.000 0.000 peak 131 weight 0.10000E+01 volume 0.42600E+00 ppm1 8.004 ppm2 2.769
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 977 and name HD13))
OR
(( segid " " and resid 977 and name HD12))
OR
(( segid " " and resid 977 and name HD11))
)
5.000 5.000 0.000 peak 134 weight 0.10000E+01 volume 0.38000E+00 ppm1 8.002 ppm2 0.751
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 986 and name HA ))
)
2.700 2.700 0.000 peak 128 weight 0.10000E+01 volume 0.38800E+01 ppm1 8.003 ppm2 4.941
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 986 and name HG12))
OR
(( segid " " and resid 986 and name HG11))
)
3.300 3.300 0.000 peak 132 weight 0.10000E+01 volume 0.19570E+01 ppm1 8.002 ppm2 1.311
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
)
5.000 5.000 0.000 peak 135 weight 0.10000E+01 volume 0.92100E+00 ppm1 8.001 ppm2 0.613
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 987 and name HA ))
)
5.000 5.000 0.000 peak 127 weight 0.10000E+01 volume 0.67100E+00 ppm1 8.003 ppm2 5.175
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 987 and name HB ))
)
5.000 5.000 0.000 peak 129 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.002 ppm2 4.270
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 987 and name HG23))
OR
(( segid " " and resid 987 and name HG22))
OR
(( segid " " and resid 987 and name HG21))
)
5.000 5.000 0.000 peak 133 weight 0.10000E+01 volume 0.60200E+00 ppm1 8.003 ppm2 1.099
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 987 and name HA ))
)
2.700 2.700 0.000 peak 415 weight 0.10000E+01 volume 0.39510E+01 ppm1 8.474 ppm2 5.176
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 987 and name HB ))
)
3.300 3.300 0.000 peak 416 weight 0.10000E+01 volume 0.23510E+01 ppm1 8.473 ppm2 4.281
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 987 and name HG23))
OR
(( segid " " and resid 987 and name HG22))
OR
(( segid " " and resid 987 and name HG21))
)
5.000 5.000 0.000 peak 421 weight 0.10000E+01 volume 0.57500E+00 ppm1 8.473 ppm2 1.102
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 988 and name HA ))
)
5.000 5.000 0.000 peak 413 weight 0.10000E+01 volume 0.48500E+00 ppm1 8.475 ppm2 5.412
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 988 and name HB1 ))
)
5.000 5.000 0.000 peak 418 weight 0.10000E+01 volume 0.50300E+00 ppm1 8.474 ppm2 2.635
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 988 and name HB2 ))
)
5.000 5.000 0.000 peak 419 weight 0.10000E+01 volume 0.12120E+01 ppm1 8.473 ppm2 2.390
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 1001 and name HA ))
)
5.000 5.000 0.000 peak 414 weight 0.10000E+01 volume 0.62300E+00 ppm1 8.476 ppm2 5.304
ASSI (
(( segid " " and resid 988 and name HN ))
)(
(( segid " " and resid 1001 and name HB2 ))
OR
(( segid " " and resid 1001 and name HB1 ))
)
5.000 5.000 0.000 peak 976 weight 0.10000E+01 volume 0.35500E+00 ppm1 8.474 ppm2 3.894
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 973 and name HG1 ))
)
5.000 5.000 0.000 peak 972 weight 0.10000E+01 volume 0.12400E+00 ppm1 8.857 ppm2 2.203
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 974 and name HA ))
)
5.000 5.000 0.000 peak 563 weight 0.10000E+01 volume 0.45400E+00 ppm1 8.854 ppm2 4.464
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 974 and name HB ))
)
5.000 5.000 0.000 peak 973 weight 0.10000E+01 volume 0.23400E+00 ppm1 8.855 ppm2 1.690
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 974 and name HG23))
OR
(( segid " " and resid 974 and name HG22))
OR
(( segid " " and resid 974 and name HG21))
)
5.000 5.000 0.000 peak 975 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.855 ppm2 0.236
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 988 and name HA ))
)
2.700 2.700 0.000 peak 561 weight 0.10000E+01 volume 0.40840E+01 ppm1 8.858 ppm2 5.406
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 988 and name HB2 ))
)
5.000 5.000 0.000 peak 572 weight 0.10000E+01 volume 0.46300E+00 ppm1 8.852 ppm2 2.396
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 989 and name HB1 ))
)
5.000 5.000 0.000 peak 566 weight 0.10000E+01 volume 0.34300E+00 ppm1 8.857 ppm2 3.955
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 989 and name HB2 ))
)
5.000 5.000 0.000 peak 567 weight 0.10000E+01 volume 0.37800E+00 ppm1 8.854 ppm2 3.839
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
5.000 5.000 0.000 peak 974 weight 0.10000E+01 volume 0.22400E+00 ppm1 8.855 ppm2 0.666
ASSI (
(( segid " " and resid 990 and name HN ))
)(
(( segid " " and resid 989 and name HB1 ))
)
3.300 3.300 0.000 peak 497 weight 0.10000E+01 volume 0.17630E+01 ppm1 8.686 ppm2 3.968
ASSI (
(( segid " " and resid 990 and name HN ))
)(
(( segid " " and resid 989 and name HB2 ))
)
5.000 5.000 0.000 peak 498 weight 0.10000E+01 volume 0.98600E+00 ppm1 8.675 ppm2 3.842
ASSI (
(( segid " " and resid 990 and name HN ))
)(
(( segid " " and resid 990 and name HA ))
)
5.000 5.000 0.000 peak 492 weight 0.10000E+01 volume 0.10850E+01 ppm1 8.686 ppm2 5.413
ASSI (
(( segid " " and resid 990 and name HN ))
)(
(( segid " " and resid 990 and name HB1 ))
)
5.000 5.000 0.000 peak 500 weight 0.10000E+01 volume 0.60800E+00 ppm1 8.680 ppm2 2.906
ASSI (
(( segid " " and resid 990 and name HN ))
)(
(( segid " " and resid 990 and name HB2 ))
)
3.300 3.300 0.000 peak 502 weight 0.10000E+01 volume 0.15860E+01 ppm1 8.679 ppm2 2.481
ASSI (
(( segid " " and resid 990 and name HN ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
5.000 5.000 0.000 peak 503 weight 0.10000E+01 volume 0.43900E+00 ppm1 8.677 ppm2 0.684
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 970 and name HG13))
OR
(( segid " " and resid 970 and name HG12))
OR
(( segid " " and resid 970 and name HG11))
)
6.000 6.000 0.000 peak 966 weight 0.10000E+01 volume 0.98000E-01 ppm1 8.483 ppm2 1.001
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 971 and name HB1 ))
)
5.000 5.000 0.000 peak 969 weight 0.10000E+01 volume 0.15300E+00 ppm1 8.483 ppm2 2.728
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 971 and name HB2 ))
)
5.000 5.000 0.000 peak 967 weight 0.10000E+01 volume 0.12900E+00 ppm1 8.484 ppm2 1.554
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 972 and name HA1 ))
)
3.300 3.300 0.000 peak 185 weight 0.10000E+01 volume 0.15590E+01 ppm1 8.485 ppm2 4.459
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 972 and name HN ))
)
5.000 5.000 0.000 peak 970 weight 0.10000E+01 volume 0.18400E+00 ppm1 8.484 ppm2 7.883
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 990 and name HA ))
)
2.700 2.700 0.000 peak 184 weight 0.10000E+01 volume 0.33570E+01 ppm1 8.483 ppm2 5.408
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 990 and name HB1 ))
)
5.000 5.000 0.000 peak 189 weight 0.10000E+01 volume 0.10330E+01 ppm1 8.483 ppm2 2.904
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 991 and name HA ))
)
3.300 3.300 0.000 peak 186 weight 0.10000E+01 volume 0.20200E+01 ppm1 8.485 ppm2 4.228
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 991 and name HB ))
)
3.300 3.300 0.000 peak 187 weight 0.10000E+01 volume 0.14250E+01 ppm1 8.485 ppm2 4.071
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 991 and name HG23))
OR
(( segid " " and resid 991 and name HG22))
OR
(( segid " " and resid 991 and name HG21))
)
3.300 3.300 0.000 peak 191 weight 0.10000E+01 volume 0.18610E+01 ppm1 8.484 ppm2 1.109
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 1020 and name HB2 ))
)
5.000 5.000 0.000 peak 968 weight 0.10000E+01 volume 0.18200E+00 ppm1 8.484 ppm2 2.333
ASSI (
(( segid " " and resid 992 and name HN ))
)(
(( segid " " and resid 991 and name HA ))
)
3.300 3.300 0.000 peak 166 weight 0.10000E+01 volume 0.25920E+01 ppm1 8.109 ppm2 4.224
ASSI (
(( segid " " and resid 992 and name HN ))
)(
(( segid " " and resid 991 and name HG22))
OR
(( segid " " and resid 991 and name HG21))
)
5.000 5.000 0.000 peak 169 weight 0.10000E+01 volume 0.36900E+00 ppm1 8.110 ppm2 1.111
ASSI (
(( segid " " and resid 992 and name HN ))
)(
(( segid " " and resid 992 and name HB ))
)
2.700 2.700 0.000 peak 167 weight 0.10000E+01 volume 0.29100E+01 ppm1 8.109 ppm2 4.074
ASSI (
(( segid " " and resid 992 and name HN ))
)(
(( segid " " and resid 992 and name HG23))
OR
(( segid " " and resid 992 and name HG22))
OR
(( segid " " and resid 992 and name HG21))
)
5.000 5.000 0.000 peak 168 weight 0.10000E+01 volume 0.34100E+00 ppm1 8.109 ppm2 1.253
ASSI (
(( segid " " and resid 994 and name HN ))
)(
(( segid " " and resid 990 and name HB1 ))
)
5.000 5.000 0.000 peak 965 weight 0.10000E+01 volume 0.20600E+00 ppm1 7.928 ppm2 2.903
ASSI (
(( segid " " and resid 994 and name HN ))
)(
(( segid " " and resid 993 and name HA1 ))
)
5.000 5.000 0.000 peak 177 weight 0.10000E+01 volume 0.10030E+01 ppm1 7.930 ppm2 4.099
ASSI (
(( segid " " and resid 994 and name HN ))
)(
(( segid " " and resid 993 and name HA2 ))
)
5.000 5.000 0.000 peak 176 weight 0.10000E+01 volume 0.68100E+00 ppm1 7.928 ppm2 3.641
ASSI (
(( segid " " and resid 994 and name HN ))
)(
(( segid " " and resid 994 and name HA ))
)
5.000 5.000 0.000 peak 179 weight 0.10000E+01 volume 0.79300E+00 ppm1 7.932 ppm2 5.118
ASSI (
(( segid " " and resid 994 and name HN ))
)(
(( segid " " and resid 994 and name HB1 ))
)
3.300 3.300 0.000 peak 175 weight 0.10000E+01 volume 0.13900E+01 ppm1 7.932 ppm2 3.149
ASSI (
(( segid " " and resid 994 and name HN ))
)(
(( segid " " and resid 994 and name HB2 ))
)
5.000 5.000 0.000 peak 174 weight 0.10000E+01 volume 0.64900E+00 ppm1 7.931 ppm2 2.495
ASSI (
(( segid " " and resid 994 and name HN ))
)(
(( segid " " and resid 1023 and name HD13))
OR
(( segid " " and resid 1023 and name HD12))
OR
(( segid " " and resid 1023 and name HD11))
)
5.000 5.000 0.000 peak 964 weight 0.10000E+01 volume 0.26000E+00 ppm1 7.932 ppm2 0.682
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 994 and name HB2 ))
)
5.000 5.000 0.000 peak 690 weight 0.10000E+01 volume 0.95500E+00 ppm1 9.421 ppm2 2.500
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 995 and name HB1 ))
)
5.000 5.000 0.000 peak 2223 weight 0.10000E+01 volume 0.69300E+00 ppm1 9.418 ppm2 1.723
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 995 and name HB2 ))
)
5.000 5.000 0.000 peak 692 weight 0.10000E+01 volume 0.10160E+01 ppm1 9.419 ppm2 1.669
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 995 and name HD2 ))
OR
(( segid " " and resid 995 and name HD1 ))
)
5.000 5.000 0.000 peak 689 weight 0.10000E+01 volume 0.44000E+00 ppm1 9.418 ppm2 3.141
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 995 and name HG2 ))
OR
(( segid " " and resid 995 and name HG1 ))
)
5.000 5.000 0.000 peak 693 weight 0.10000E+01 volume 0.91700E+00 ppm1 9.420 ppm2 1.540
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1020 and name HA ))
)
5.000 5.000 0.000 peak 963 weight 0.10000E+01 volume 0.18700E+00 ppm1 9.418 ppm2 5.327
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1021 and name HB1 ))
)
5.000 5.000 0.000 peak 961 weight 0.10000E+01 volume 0.18200E+00 ppm1 9.411 ppm2 1.987
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1021 and name HG2 ))
OR
(( segid " " and resid 1021 and name HG1 ))
)
5.000 5.000 0.000 peak 962 weight 0.10000E+01 volume 0.13800E+00 ppm1 9.415 ppm2 2.335
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1022 and name HN ))
)
5.000 5.000 0.000 peak 684 weight 0.10000E+01 volume 0.92300E+00 ppm1 9.421 ppm2 9.129
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1023 and name HD13))
OR
(( segid " " and resid 1023 and name HD12))
OR
(( segid " " and resid 1023 and name HD11))
)
5.000 5.000 0.000 peak 697 weight 0.10000E+01 volume 0.30200E+00 ppm1 9.420 ppm2 0.682
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1023 and name HG11))
)
5.000 5.000 0.000 peak 695 weight 0.10000E+01 volume 0.48100E+00 ppm1 9.420 ppm2 1.381
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1023 and name HG23))
OR
(( segid " " and resid 1023 and name HG22))
OR
(( segid " " and resid 1023 and name HG21))
)
5.000 5.000 0.000 peak 696 weight 0.10000E+01 volume 0.29300E+00 ppm1 9.423 ppm2 0.855
ASSI (
(( segid " " and resid 995 and name HN ))
)(
(( segid " " and resid 1023 and name HN ))
)
5.000 5.000 0.000 peak 686 weight 0.10000E+01 volume 0.35300E+00 ppm1 9.419 ppm2 7.908
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 995 and name HB1 ))
)
5.000 5.000 0.000 peak 157 weight 0.10000E+01 volume -0.86700E+00 ppm1 8.335 ppm2 1.718
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 995 and name HB2 ))
)
5.000 5.000 0.000 peak 2226 weight 0.10000E+01 volume -0.12410E+01 ppm1 8.334 ppm2 1.663
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 995 and name HD2 ))
OR
(( segid " " and resid 995 and name HD1 ))
)
5.000 5.000 0.000 peak 960 weight 0.10000E+01 volume -0.10000E+00 ppm1 8.336 ppm2 3.111
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 996 and name HB1 ))
)
3.300 3.300 0.000 peak 158 weight 0.10000E+01 volume -0.25560E+01 ppm1 8.330 ppm2 1.609
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 996 and name HB2 ))
)
2.700 2.700 0.000 peak 159 weight 0.10000E+01 volume -0.29140E+01 ppm1 8.332 ppm2 1.485
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD11))
)
5.000 5.000 0.000 peak 161 weight 0.10000E+01 volume -0.51400E+00 ppm1 8.332 ppm2 0.673
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 162 weight 0.10000E+01 volume -0.34000E+00 ppm1 8.331 ppm2 0.422
ASSI (
(( segid " " and resid 996 and name HN ))
)(
(( segid " " and resid 996 and name HG ))
)
5.000 5.000 0.000 peak 160 weight 0.10000E+01 volume -0.30400E+00 ppm1 8.331 ppm2 1.156
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 996 and name HB1 ))
)
5.000 5.000 0.000 peak 959 weight 0.10000E+01 volume -0.17600E+00 ppm1 9.349 ppm2 1.632
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 996 and name HB2 ))
)
5.000 5.000 0.000 peak 291 weight 0.10000E+01 volume -0.75400E+00 ppm1 9.358 ppm2 1.499
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 299 weight 0.10000E+01 volume -0.52900E+00 ppm1 9.358 ppm2 0.425
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 997 and name HA ))
)
5.000 5.000 0.000 peak 287 weight 0.10000E+01 volume -0.59100E+00 ppm1 9.357 ppm2 4.254
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 997 and name HB ))
)
3.300 3.300 0.000 peak 289 weight 0.10000E+01 volume -0.14100E+01 ppm1 9.356 ppm2 1.873
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 997 and name HD13))
OR
(( segid " " and resid 997 and name HD12))
OR
(( segid " " and resid 997 and name HD11))
)
5.000 5.000 0.000 peak 298 weight 0.10000E+01 volume -0.44800E+00 ppm1 9.356 ppm2 0.663
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 997 and name HG12))
)
3.300 3.300 0.000 peak 294 weight 0.10000E+01 volume -0.15940E+01 ppm1 9.355 ppm2 1.154
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 997 and name HG23))
OR
(( segid " " and resid 997 and name HG22))
OR
(( segid " " and resid 997 and name HG21))
)
5.000 5.000 0.000 peak 297 weight 0.10000E+01 volume -0.38200E+00 ppm1 9.361 ppm2 0.789
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 998 and name HA1 ))
)
5.000 5.000 0.000 peak 957 weight 0.10000E+01 volume -0.16000E+00 ppm1 9.358 ppm2 4.491
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 1019 and name HB ))
)
5.000 5.000 0.000 peak 290 weight 0.10000E+01 volume -0.32700E+00 ppm1 9.356 ppm2 1.757
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 1019 and name HG11))
)
5.000 5.000 0.000 peak 292 weight 0.10000E+01 volume -0.82700E+00 ppm1 9.358 ppm2 1.348
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 1019 and name HN ))
)
5.000 5.000 0.000 peak 284 weight 0.10000E+01 volume -0.61000E+00 ppm1 9.360 ppm2 7.858
ASSI (
(( segid " " and resid 997 and name HN ))
)(
(( segid " " and resid 1020 and name HA ))
)
5.000 5.000 0.000 peak 285 weight 0.10000E+01 volume -0.43700E+00 ppm1 9.359 ppm2 5.327
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 711 weight 0.10000E+01 volume 0.49900E+00 ppm1 8.390 ppm2 0.427
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 997 and name HA ))
)
2.700 2.700 0.000 peak 183 weight 0.10000E+01 volume 0.56260E+01 ppm1 8.391 ppm2 4.254
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 997 and name HB ))
)
5.000 5.000 0.000 peak 955 weight 0.10000E+01 volume 0.21100E+00 ppm1 8.391 ppm2 1.873
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 997 and name HD13))
OR
(( segid " " and resid 997 and name HD12))
OR
(( segid " " and resid 997 and name HD11))
)
5.000 5.000 0.000 peak 714 weight 0.10000E+01 volume 0.32100E+00 ppm1 8.390 ppm2 0.666
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 997 and name HG12))
)
5.000 5.000 0.000 peak 956 weight 0.10000E+01 volume 0.18600E+00 ppm1 8.389 ppm2 1.138
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 997 and name HG23))
OR
(( segid " " and resid 997 and name HG22))
OR
(( segid " " and resid 997 and name HG21))
)
5.000 5.000 0.000 peak 715 weight 0.10000E+01 volume 0.10270E+01 ppm1 8.391 ppm2 0.775
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 998 and name HA1 ))
)
5.000 5.000 0.000 peak 182 weight 0.10000E+01 volume 0.11220E+01 ppm1 8.391 ppm2 4.472
ASSI (
(( segid " " and resid 998 and name HN ))
)(
(( segid " " and resid 998 and name HA2 ))
)
3.300 3.300 0.000 peak 181 weight 0.10000E+01 volume 0.21680E+01 ppm1 8.389 ppm2 3.492
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
5.000 5.000 0.000 peak 951 weight 0.10000E+01 volume 0.14700E+00 ppm1 8.798 ppm2 0.672
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 952 weight 0.10000E+01 volume 0.24400E+00 ppm1 8.797 ppm2 0.423
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 998 and name HA1 ))
)
2.700 2.700 0.000 peak 712 weight 0.10000E+01 volume 0.29420E+01 ppm1 8.797 ppm2 4.469
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 998 and name HA2 ))
)
3.300 3.300 0.000 peak 953 weight 0.10000E+01 volume 0.20410E+01 ppm1 8.798 ppm2 3.495
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 998 and name HN ))
)
5.000 5.000 0.000 peak 949 weight 0.10000E+01 volume 0.28000E+00 ppm1 8.798 ppm2 8.392
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 999 and name HB1 ))
)
3.300 3.300 0.000 peak 710 weight 0.10000E+01 volume 0.13550E+01 ppm1 8.799 ppm2 3.432
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 999 and name HD2 ))
)
5.000 5.000 0.000 peak 713 weight 0.10000E+01 volume 0.36000E+00 ppm1 8.796 ppm2 7.393
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 1015 and name HB ))
)
5.000 5.000 0.000 peak 954 weight 0.10000E+01 volume 0.16500E+00 ppm1 8.798 ppm2 4.191
ASSI (
(( segid " " and resid 999 and name HN ))
)(
(( segid " " and resid 1015 and name HG23))
OR
(( segid " " and resid 1015 and name HG22))
OR
(( segid " " and resid 1015 and name HG21))
)
5.000 5.000 0.000 peak 950 weight 0.10000E+01 volume 0.26300E+00 ppm1 8.799 ppm2 0.905
ASSI (
(( segid " " and resid 1000 and name HN ))
)(
(( segid " " and resid 999 and name HB1 ))
)
5.000 5.000 0.000 peak 948 weight 0.10000E+01 volume 0.15200E+00 ppm1 8.997 ppm2 3.437
ASSI (
(( segid " " and resid 1000 and name HN ))
)(
(( segid " " and resid 1000 and name HA ))
)
5.000 5.000 0.000 peak 214 weight 0.10000E+01 volume 0.28100E+00 ppm1 8.997 ppm2 4.327
ASSI (
(( segid " " and resid 1000 and name HN ))
)(
(( segid " " and resid 1000 and name HB2 ))
OR
(( segid " " and resid 1000 and name HB1 ))
)
5.000 5.000 0.000 peak 213 weight 0.10000E+01 volume 0.29800E+00 ppm1 8.998 ppm2 3.903
ASSI (
(( segid " " and resid 1000 and name HN ))
)(
(( segid " " and resid 1001 and name HN ))
)
5.000 5.000 0.000 peak 212 weight 0.10000E+01 volume 0.51900E+00 ppm1 8.998 ppm2 7.751
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 987 and name HA ))
)
5.000 5.000 0.000 peak 944 weight 0.10000E+01 volume 0.17300E+00 ppm1 7.751 ppm2 5.177
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
6.000 6.000 0.000 peak 946 weight 0.10000E+01 volume 0.81000E-01 ppm1 7.754 ppm2 0.677
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 945 weight 0.10000E+01 volume 0.10800E+00 ppm1 7.745 ppm2 0.419
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 999 and name HB1 ))
)
3.300 3.300 0.000 peak 443 weight 0.10000E+01 volume 0.14210E+01 ppm1 7.750 ppm2 3.432
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 999 and name HB2 ))
)
5.000 5.000 0.000 peak 444 weight 0.10000E+01 volume 0.46100E+00 ppm1 7.751 ppm2 3.148
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 1001 and name HA ))
)
5.000 5.000 0.000 peak 439 weight 0.10000E+01 volume 0.12010E+01 ppm1 7.750 ppm2 5.305
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 1001 and name HB2 ))
OR
(( segid " " and resid 1001 and name HB1 ))
)
3.300 3.300 0.000 peak 442 weight 0.10000E+01 volume 0.14560E+01 ppm1 7.751 ppm2 3.898
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 1015 and name HG23))
OR
(( segid " " and resid 1015 and name HG22))
OR
(( segid " " and resid 1015 and name HG21))
)
5.000 5.000 0.000 peak 947 weight 0.10000E+01 volume 0.15600E+00 ppm1 7.750 ppm2 0.914
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 985 and name HA ))
)
5.000 5.000 0.000 peak 246 weight 0.10000E+01 volume 0.17700E+00 ppm1 8.333 ppm2 5.685
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 985 and name HG1 ))
)
5.000 5.000 0.000 peak 939 weight 0.10000E+01 volume 0.19200E+00 ppm1 8.335 ppm2 1.693
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 987 and name HA ))
)
5.000 5.000 0.000 peak 244 weight 0.10000E+01 volume 0.68400E+00 ppm1 8.334 ppm2 5.175
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 987 and name HG23))
OR
(( segid " " and resid 987 and name HG22))
OR
(( segid " " and resid 987 and name HG21))
)
5.000 5.000 0.000 peak 940 weight 0.10000E+01 volume 0.13300E+00 ppm1 8.337 ppm2 1.094
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 1001 and name HA ))
)
2.700 2.700 0.000 peak 245 weight 0.10000E+01 volume 0.44360E+01 ppm1 8.335 ppm2 5.304
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 1001 and name HB2 ))
OR
(( segid " " and resid 1001 and name HB1 ))
)
3.300 3.300 0.000 peak 243 weight 0.10000E+01 volume 0.16140E+01 ppm1 8.335 ppm2 3.911
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 1001 and name HN ))
)
5.000 5.000 0.000 peak 941 weight 0.10000E+01 volume 0.21600E+00 ppm1 8.333 ppm2 7.749
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)
3.300 3.300 0.000 peak 390 weight 0.10000E+01 volume 0.20040E+01 ppm1 8.872 ppm2 1.557
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1002 and name HN ))
)
5.000 5.000 0.000 peak 938 weight 0.10000E+01 volume 0.17900E+00 ppm1 8.879 ppm2 8.334
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1003 and name HA ))
)
5.000 5.000 0.000 peak 385 weight 0.10000E+01 volume 0.68600E+00 ppm1 8.872 ppm2 5.551
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1003 and name HB2 ))
OR
(( segid " " and resid 1003 and name HB1 ))
)
3.300 3.300 0.000 peak 389 weight 0.10000E+01 volume 0.20260E+01 ppm1 8.872 ppm2 1.862
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1003 and name HG2 ))
OR
(( segid " " and resid 1003 and name HG1 ))
)
5.000 5.000 0.000 peak 932 weight 0.10000E+01 volume 0.29200E+00 ppm1 8.872 ppm2 2.070
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
5.000 5.000 0.000 peak 933 weight 0.10000E+01 volume 0.17500E+00 ppm1 8.870 ppm2 0.784
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1013 and name HA ))
)
5.000 5.000 0.000 peak 936 weight 0.10000E+01 volume 0.17000E+00 ppm1 8.872 ppm2 4.970
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1014 and name HA ))
)
5.000 5.000 0.000 peak 935 weight 0.10000E+01 volume 0.17700E+00 ppm1 8.867 ppm2 3.925
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1014 and name HB1 ))
)
5.000 5.000 0.000 peak 472 weight 0.10000E+01 volume 0.35100E+00 ppm1 8.876 ppm2 4.201
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1014 and name HB2 ))
)
5.000 5.000 0.000 peak 386 weight 0.10000E+01 volume 0.66700E+00 ppm1 8.873 ppm2 4.145
ASSI (
(( segid " " and resid 1003 and name HN ))
)(
(( segid " " and resid 1015 and name HG23))
OR
(( segid " " and resid 1015 and name HG22))
OR
(( segid " " and resid 1015 and name HG21))
)
5.000 5.000 0.000 peak 934 weight 0.10000E+01 volume 0.17200E+00 ppm1 8.871 ppm2 0.908
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 982 and name HA ))
)
5.000 5.000 0.000 peak 930 weight 0.10000E+01 volume -0.29300E+00 ppm1 8.662 ppm2 3.111
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 985 and name HA ))
)
5.000 5.000 0.000 peak 107 weight 0.10000E+01 volume -0.65500E+00 ppm1 8.662 ppm2 5.687
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)
5.000 5.000 0.000 peak 928 weight 0.10000E+01 volume -0.19200E+00 ppm1 8.660 ppm2 1.539
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1003 and name HA ))
)
2.700 2.700 0.000 peak 106 weight 0.10000E+01 volume -0.43790E+01 ppm1 8.661 ppm2 5.545
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1003 and name HB2 ))
OR
(( segid " " and resid 1003 and name HB1 ))
)
5.000 5.000 0.000 peak 102 weight 0.10000E+01 volume -0.74000E+00 ppm1 8.663 ppm2 1.864
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1003 and name HG2 ))
OR
(( segid " " and resid 1003 and name HG1 ))
)
5.000 5.000 0.000 peak 101 weight 0.10000E+01 volume -0.10020E+01 ppm1 8.663 ppm2 2.072
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1004 and name HA ))
)
5.000 5.000 0.000 peak 105 weight 0.10000E+01 volume -0.79800E+00 ppm1 8.662 ppm2 4.047
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1004 and name HB2 ))
)
3.300 3.300 0.000 peak 103 weight 0.10000E+01 volume -0.17040E+01 ppm1 8.661 ppm2 1.666
ASSI (
(( segid " " and resid 1004 and name HN ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
5.000 5.000 0.000 peak 929 weight 0.10000E+01 volume -0.17600E+00 ppm1 8.661 ppm2 0.783
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1004 and name HA ))
)
2.700 2.700 0.000 peak 590 weight 0.10000E+01 volume -0.44840E+01 ppm1 8.856 ppm2 4.044
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1004 and name HB1 ))
)
5.000 5.000 0.000 peak 925 weight 0.10000E+01 volume -0.15800E+00 ppm1 8.853 ppm2 2.721
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1005 and name HA ))
)
5.000 5.000 0.000 peak 588 weight 0.10000E+01 volume -0.82900E+00 ppm1 8.858 ppm2 4.555
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1005 and name HB ))
)
5.000 5.000 0.000 peak 592 weight 0.10000E+01 volume -0.10920E+01 ppm1 8.858 ppm2 1.667
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1005 and name HD13))
OR
(( segid " " and resid 1005 and name HD12))
OR
(( segid " " and resid 1005 and name HD11))
)
5.000 5.000 0.000 peak 596 weight 0.10000E+01 volume -0.46900E+00 ppm1 8.858 ppm2 0.675
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1005 and name HG11))
)
5.000 5.000 0.000 peak 593 weight 0.10000E+01 volume -0.92200E+00 ppm1 8.857 ppm2 0.999
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1005 and name HG12))
)
3.300 3.300 0.000 peak 594 weight 0.10000E+01 volume -0.16330E+01 ppm1 8.859 ppm2 0.864
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
5.000 5.000 0.000 peak 595 weight 0.10000E+01 volume -0.11850E+01 ppm1 8.858 ppm2 0.778
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1006 and name HN ))
)
5.000 5.000 0.000 peak 926 weight 0.10000E+01 volume -0.26000E+00 ppm1 8.860 ppm2 8.254
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1011 and name HA ))
)
5.000 5.000 0.000 peak 924 weight 0.10000E+01 volume -0.21100E+00 ppm1 8.856 ppm2 5.113
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1013 and name HA ))
)
5.000 5.000 0.000 peak 586 weight 0.10000E+01 volume -0.68400E+00 ppm1 8.859 ppm2 4.979
ASSI (
(( segid " " and resid 1006 and name HN ))
)(
(( segid " " and resid 1005 and name HA ))
)
2.700 2.700 0.000 peak 300 weight 0.10000E+01 volume 0.44010E+01 ppm1 8.247 ppm2 4.544
ASSI (
(( segid " " and resid 1006 and name HN ))
)(
(( segid " " and resid 1005 and name HB ))
)
3.300 3.300 0.000 peak 301 weight 0.10000E+01 volume 0.27480E+01 ppm1 8.248 ppm2 1.666
ASSI (
(( segid " " and resid 1006 and name HN ))
)(
(( segid " " and resid 1005 and name HG11))
)
5.000 5.000 0.000 peak 922 weight 0.10000E+01 volume 0.22800E+00 ppm1 8.253 ppm2 1.004
ASSI (
(( segid " " and resid 1006 and name HN ))
)(
(( segid " " and resid 1006 and name HB2 ))
OR
(( segid " " and resid 1006 and name HB1 ))
)
3.300 3.300 0.000 peak 302 weight 0.10000E+01 volume 0.16980E+01 ppm1 8.248 ppm2 1.583
ASSI (
(( segid " " and resid 1006 and name HN ))
)(
(( segid " " and resid 1006 and name HD23))
OR
(( segid " " and resid 1006 and name HD22))
OR
(( segid " " and resid 1006 and name HD21))
OR
(( segid " " and resid 1006 and name HD13))
OR
(( segid " " and resid 1006 and name HD12))
)
5.000 5.000 0.000 peak 308 weight 0.10000E+01 volume 0.96100E+00 ppm1 8.248 ppm2 0.683
ASSI (
(( segid " " and resid 1006 and name HN ))
)(
(( segid " " and resid 1006 and name HG ))
)
3.300 3.300 0.000 peak 305 weight 0.10000E+01 volume 0.19080E+01 ppm1 8.247 ppm2 1.309
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1006 and name HB2 ))
OR
(( segid " " and resid 1006 and name HB1 ))
)
5.000 5.000 0.000 peak 224 weight 0.10000E+01 volume 0.36600E+00 ppm1 8.506 ppm2 1.589
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1006 and name HD23))
OR
(( segid " " and resid 1006 and name HD22))
OR
(( segid " " and resid 1006 and name HD21))
OR
(( segid " " and resid 1006 and name HD13))
OR
(( segid " " and resid 1006 and name HD11))
)
5.000 5.000 0.000 peak 226 weight 0.10000E+01 volume 0.72100E+00 ppm1 8.507 ppm2 0.685
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1006 and name HG ))
)
5.000 5.000 0.000 peak 225 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.510 ppm2 1.332
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1007 and name HB1 ))
)
5.000 5.000 0.000 peak 222 weight 0.10000E+01 volume 0.51300E+00 ppm1 8.506 ppm2 3.733
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1007 and name HB2 ))
)
5.000 5.000 0.000 peak 223 weight 0.10000E+01 volume 0.55600E+00 ppm1 8.508 ppm2 3.629
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1010 and name HN ))
)
5.000 5.000 0.000 peak 920 weight 0.10000E+01 volume 0.43500E+00 ppm1 8.505 ppm2 7.798
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1011 and name HA ))
)
5.000 5.000 0.000 peak 227 weight 0.10000E+01 volume 0.44100E+00 ppm1 8.507 ppm2 5.102
ASSI (
(( segid " " and resid 1009 and name HD21))
)(
(( segid " " and resid 1009 and name HD22))
)
2.700 2.700 0.000 peak 462 weight 0.10000E+01 volume 0.56480E+01 ppm1 7.492 ppm2 6.821
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1008 and name HA1 ))
)
5.000 5.000 0.000 peak 918 weight 0.10000E+01 volume 0.27200E+00 ppm1 7.803 ppm2 3.962
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1008 and name HA2 ))
)
5.000 5.000 0.000 peak 449 weight 0.10000E+01 volume 0.20900E+00 ppm1 7.799 ppm2 3.621
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1009 and name HB1 ))
)
5.000 5.000 0.000 peak 450 weight 0.10000E+01 volume 0.26000E+00 ppm1 7.801 ppm2 2.894
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1009 and name HB2 ))
)
5.000 5.000 0.000 peak 451 weight 0.10000E+01 volume 0.22700E+00 ppm1 7.799 ppm2 2.758
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1010 and name HA ))
)
3.300 3.300 0.000 peak 446 weight 0.10000E+01 volume 0.13330E+01 ppm1 7.801 ppm2 4.400
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1010 and name HB ))
)
3.300 3.300 0.000 peak 448 weight 0.10000E+01 volume 0.16630E+01 ppm1 7.799 ppm2 4.059
ASSI (
(( segid " " and resid 1010 and name HN ))
)(
(( segid " " and resid 1010 and name HG23))
OR
(( segid " " and resid 1010 and name HG22))
OR
(( segid " " and resid 1010 and name HG21))
)
5.000 5.000 0.000 peak 453 weight 0.10000E+01 volume 0.68900E+00 ppm1 7.802 ppm2 1.089
ASSI (
(( segid " " and resid 1011 and name HN ))
)(
(( segid " " and resid 1006 and name HD23))
OR
(( segid " " and resid 1006 and name HD22))
OR
(( segid " " and resid 1006 and name HD21))
OR
(( segid " " and resid 1006 and name HD13))
OR
(( segid " " and resid 1006 and name HD12))
OR
(( segid " " and resid 1006 and name HD11))
)
5.000 5.000 0.000 peak 584 weight 0.10000E+01 volume -0.42800E+00 ppm1 8.409 ppm2 0.687
ASSI (
(( segid " " and resid 1011 and name HN ))
)(
(( segid " " and resid 1006 and name HG ))
)
5.000 5.000 0.000 peak 917 weight 0.10000E+01 volume -0.16000E+00 ppm1 8.407 ppm2 1.314
ASSI (
(( segid " " and resid 1011 and name HN ))
)(
(( segid " " and resid 1010 and name HA ))
)
2.700 2.700 0.000 peak 579 weight 0.10000E+01 volume -0.45070E+01 ppm1 8.411 ppm2 4.399
ASSI (
(( segid " " and resid 1011 and name HN ))
)(
(( segid " " and resid 1010 and name HB ))
)
5.000 5.000 0.000 peak 580 weight 0.10000E+01 volume -0.69800E+00 ppm1 8.410 ppm2 4.062
ASSI (
(( segid " " and resid 1011 and name HN ))
)(
(( segid " " and resid 1010 and name HG23))
OR
(( segid " " and resid 1010 and name HG22))
OR
(( segid " " and resid 1010 and name HG21))
)
5.000 5.000 0.000 peak 581 weight 0.10000E+01 volume -0.76300E+00 ppm1 8.408 ppm2 1.092
ASSI (
(( segid " " and resid 1011 and name HN ))
)(
(( segid " " and resid 1011 and name HA ))
)
5.000 5.000 0.000 peak 577 weight 0.10000E+01 volume -0.71900E+00 ppm1 8.410 ppm2 5.103
ASSI (
(( segid " " and resid 1011 and name HN ))
)(
(( segid " " and resid 1011 and name HB3 ))
OR
(( segid " " and resid 1011 and name HB2 ))
OR
(( segid " " and resid 1011 and name HB1 ))
)
3.300 3.300 0.000 peak 583 weight 0.10000E+01 volume -0.23600E+01 ppm1 8.411 ppm2 0.808
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1004 and name HA ))
)
5.000 5.000 0.000 peak 318 weight 0.10000E+01 volume 0.28300E+00 ppm1 9.082 ppm2 4.049
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1005 and name HG11))
)
5.000 5.000 0.000 peak 916 weight 0.10000E+01 volume 0.24200E+00 ppm1 9.083 ppm2 1.005
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1006 and name HD22))
OR
(( segid " " and resid 1006 and name HD21))
OR
(( segid " " and resid 1006 and name HD13))
OR
(( segid " " and resid 1006 and name HD12))
OR
(( segid " " and resid 1006 and name HD11))
)
5.000 5.000 0.000 peak 324 weight 0.10000E+01 volume 0.61400E+00 ppm1 9.083 ppm2 0.691
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1011 and name HA ))
)
2.700 2.700 0.000 peak 313 weight 0.10000E+01 volume 0.69770E+01 ppm1 9.086 ppm2 5.108
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1011 and name HB3 ))
OR
(( segid " " and resid 1011 and name HB2 ))
OR
(( segid " " and resid 1011 and name HB1 ))
)
3.300 3.300 0.000 peak 323 weight 0.10000E+01 volume 0.16100E+01 ppm1 9.083 ppm2 0.809
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1012 and name HA ))
)
5.000 5.000 0.000 peak 317 weight 0.10000E+01 volume 0.11300E+01 ppm1 9.083 ppm2 4.671
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1012 and name HB1 ))
)
5.000 5.000 0.000 peak 321 weight 0.10000E+01 volume 0.47300E+00 ppm1 9.082 ppm2 3.165
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1012 and name HB2 ))
)
5.000 5.000 0.000 peak 322 weight 0.10000E+01 volume 0.60000E+00 ppm1 9.084 ppm2 3.072
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1012 and name HD2 ))
)
5.000 5.000 0.000 peak 312 weight 0.10000E+01 volume 0.46800E+00 ppm1 9.082 ppm2 7.007
ASSI (
(( segid " " and resid 1012 and name HN ))
)(
(( segid " " and resid 1013 and name HN ))
)
5.000 5.000 0.000 peak 311 weight 0.10000E+01 volume 0.37400E+00 ppm1 9.084 ppm2 8.448
ASSI (
(( segid " " and resid 1013 and name HN ))
)(
(( segid " " and resid 1012 and name HA ))
)
2.700 2.700 0.000 peak 745 weight 0.10000E+01 volume 0.42500E+01 ppm1 8.451 ppm2 4.676
ASSI (
(( segid " " and resid 1013 and name HN ))
)(
(( segid " " and resid 1012 and name HB2 ))
)
3.300 3.300 0.000 peak 270 weight 0.10000E+01 volume 0.14250E+01 ppm1 8.452 ppm2 3.068
ASSI (
(( segid " " and resid 1013 and name HN ))
)(
(( segid " " and resid 1013 and name HA ))
)
5.000 5.000 0.000 peak 267 weight 0.10000E+01 volume 0.71500E+00 ppm1 8.451 ppm2 4.972
ASSI (
(( segid " " and resid 1013 and name HN ))
)(
(( segid " " and resid 1013 and name HB1 ))
)
5.000 5.000 0.000 peak 268 weight 0.10000E+01 volume 0.98200E+00 ppm1 8.452 ppm2 3.321
ASSI (
(( segid " " and resid 1013 and name HN ))
)(
(( segid " " and resid 1013 and name HD1 ))
)
5.000 5.000 0.000 peak 265 weight 0.10000E+01 volume 0.95800E+00 ppm1 8.452 ppm2 7.412
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 963 and name HB1 ))
)
3.300 3.300 0.000 peak 614 weight 0.10000E+01 volume -0.14780E+01 ppm1 10.386 ppm2 2.165
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 963 and name HB2 ))
)
5.000 5.000 0.000 peak 615 weight 0.10000E+01 volume -0.75600E+00 ppm1 10.385 ppm2 2.071
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 1013 and name HD1 ))
)
3.300 3.300 0.000 peak 607 weight 0.10000E+01 volume -0.23680E+01 ppm1 10.383 ppm2 7.409
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 1013 and name HN ))
)
5.000 5.000 0.000 peak 606 weight 0.10000E+01 volume -0.54900E+00 ppm1 10.385 ppm2 8.427
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 1013 and name HZ2 ))
)
5.000 5.000 0.000 peak 608 weight 0.10000E+01 volume -0.10870E+01 ppm1 10.389 ppm2 7.179
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)
5.000 5.000 0.000 peak 678 weight 0.10000E+01 volume 0.73300E+00 ppm1 9.677 ppm2 1.564
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1003 and name HB2 ))
OR
(( segid " " and resid 1003 and name HB1 ))
)
5.000 5.000 0.000 peak 683 weight 0.10000E+01 volume 0.12600E+00 ppm1 9.680 ppm2 1.872
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1004 and name HA ))
)
5.000 5.000 0.000 peak 673 weight 0.10000E+01 volume 0.43900E+00 ppm1 9.680 ppm2 4.042
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1005 and name HD13))
OR
(( segid " " and resid 1005 and name HD12))
OR
(( segid " " and resid 1005 and name HD11))
)
5.000 5.000 0.000 peak 679 weight 0.10000E+01 volume 0.23100E+00 ppm1 9.680 ppm2 0.672
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1005 and name HG11))
)
5.000 5.000 0.000 peak 682 weight 0.10000E+01 volume 0.16800E+00 ppm1 9.680 ppm2 1.003
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1005 and name HG12))
)
5.000 5.000 0.000 peak 681 weight 0.10000E+01 volume 0.36800E+00 ppm1 9.681 ppm2 0.872
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
5.000 5.000 0.000 peak 680 weight 0.10000E+01 volume 0.37000E+00 ppm1 9.680 ppm2 0.779
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1013 and name HA ))
)
2.700 2.700 0.000 peak 671 weight 0.10000E+01 volume 0.30790E+01 ppm1 9.680 ppm2 4.981
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1013 and name HB1 ))
)
5.000 5.000 0.000 peak 676 weight 0.10000E+01 volume 0.62300E+00 ppm1 9.681 ppm2 3.331
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1013 and name HB2 ))
)
5.000 5.000 0.000 peak 677 weight 0.10000E+01 volume 0.26600E+00 ppm1 9.678 ppm2 3.180
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1014 and name HA ))
)
5.000 5.000 0.000 peak 674 weight 0.10000E+01 volume 0.11560E+01 ppm1 9.679 ppm2 3.935
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1014 and name HB1 ))
)
5.000 5.000 0.000 peak 470 weight 0.10000E+01 volume 0.12630E+01 ppm1 9.681 ppm2 4.202
ASSI (
(( segid " " and resid 1014 and name HN ))
)(
(( segid " " and resid 1014 and name HB2 ))
)
3.300 3.300 0.000 peak 672 weight 0.10000E+01 volume 0.15280E+01 ppm1 9.681 ppm2 4.141
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)
3.300 3.300 0.000 peak 487 weight 0.10000E+01 volume 0.20920E+01 ppm1 7.225 ppm2 1.561
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1013 and name HA ))
)
5.000 5.000 0.000 peak 481 weight 0.10000E+01 volume 0.35200E+00 ppm1 7.224 ppm2 4.977
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1013 and name HB1 ))
)
5.000 5.000 0.000 peak 485 weight 0.10000E+01 volume 0.10220E+01 ppm1 7.225 ppm2 3.329
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1013 and name HB2 ))
)
5.000 5.000 0.000 peak 486 weight 0.10000E+01 volume 0.62800E+00 ppm1 7.226 ppm2 3.169
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1014 and name HA ))
)
5.000 5.000 0.000 peak 484 weight 0.10000E+01 volume 0.74900E+00 ppm1 7.225 ppm2 3.938
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1015 and name HB ))
)
5.000 5.000 0.000 peak 482 weight 0.10000E+01 volume 0.97100E+00 ppm1 7.225 ppm2 4.189
ASSI (
(( segid " " and resid 1015 and name HN ))
)(
(( segid " " and resid 1015 and name HG23))
OR
(( segid " " and resid 1015 and name HG22))
OR
(( segid " " and resid 1015 and name HG21))
)
3.300 3.300 0.000 peak 488 weight 0.10000E+01 volume 0.13570E+01 ppm1 7.225 ppm2 0.917
ASSI (
(( segid " " and resid 1016 and name HN ))
)(
(( segid " " and resid 1015 and name HB ))
)
5.000 5.000 0.000 peak 275 weight 0.10000E+01 volume 0.11010E+01 ppm1 8.310 ppm2 4.196
ASSI (
(( segid " " and resid 1016 and name HN ))
)(
(( segid " " and resid 1015 and name HG23))
OR
(( segid " " and resid 1015 and name HG22))
OR
(( segid " " and resid 1015 and name HG21))
)
5.000 5.000 0.000 peak 276 weight 0.10000E+01 volume 0.30100E+00 ppm1 8.310 ppm2 0.911
ASSI (
(( segid " " and resid 1016 and name HN ))
)(
(( segid " " and resid 1016 and name HA ))
)
5.000 5.000 0.000 peak 274 weight 0.10000E+01 volume 0.65600E+00 ppm1 8.310 ppm2 4.539
ASSI (
(( segid " " and resid 1016 and name HN ))
)(
(( segid " " and resid 1016 and name HB2 ))
OR
(( segid " " and resid 1016 and name HB1 ))
)
5.000 5.000 0.000 peak 281 weight 0.10000E+01 volume 0.48300E+00 ppm1 8.310 ppm2 1.824
ASSI (
(( segid " " and resid 1016 and name HN ))
)(
(( segid " " and resid 1016 and name HG2 ))
OR
(( segid " " and resid 1016 and name HG1 ))
)
5.000 5.000 0.000 peak 280 weight 0.10000E+01 volume 0.82400E+00 ppm1 8.309 ppm2 1.549
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 914 weight 0.10000E+01 volume 0.17300E+00 ppm1 7.859 ppm2 0.420
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 998 and name HA1 ))
)
5.000 5.000 0.000 peak 534 weight 0.10000E+01 volume 0.37700E+00 ppm1 7.861 ppm2 4.474
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1018 and name HB1 ))
)
5.000 5.000 0.000 peak 536 weight 0.10000E+01 volume 0.66700E+00 ppm1 7.861 ppm2 1.875
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1018 and name HB2 ))
)
3.300 3.300 0.000 peak 538 weight 0.10000E+01 volume 0.18910E+01 ppm1 7.861 ppm2 1.503
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1019 and name HA ))
)
5.000 5.000 0.000 peak 533 weight 0.10000E+01 volume 0.11170E+01 ppm1 7.860 ppm2 4.362
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1019 and name HG11))
)
5.000 5.000 0.000 peak 539 weight 0.10000E+01 volume 0.88300E+00 ppm1 7.859 ppm2 1.361
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1019 and name HG12))
)
5.000 5.000 0.000 peak 542 weight 0.10000E+01 volume 0.12030E+01 ppm1 7.862 ppm2 1.127
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1019 and name HG23))
OR
(( segid " " and resid 1019 and name HG22))
OR
(( segid " " and resid 1019 and name HG21))
)
5.000 5.000 0.000 peak 543 weight 0.10000E+01 volume 0.73300E+00 ppm1 7.861 ppm2 0.810
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1019 and name HB ))
)
3.300 3.300 0.000 peak 355 weight 0.10000E+01 volume 0.13120E+01 ppm1 8.869 ppm2 1.747
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1019 and name HG11))
)
5.000 5.000 0.000 peak 911 weight 0.10000E+01 volume 0.33600E+00 ppm1 8.868 ppm2 1.361
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1019 and name HG12))
)
5.000 5.000 0.000 peak 912 weight 0.10000E+01 volume 0.15400E+00 ppm1 8.869 ppm2 1.138
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1019 and name HG23))
OR
(( segid " " and resid 1019 and name HG22))
OR
(( segid " " and resid 1019 and name HG21))
)
5.000 5.000 0.000 peak 356 weight 0.10000E+01 volume 0.92400E+00 ppm1 8.866 ppm2 0.833
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1020 and name HA ))
)
5.000 5.000 0.000 peak 349 weight 0.10000E+01 volume 0.71300E+00 ppm1 8.865 ppm2 5.328
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1020 and name HB1 ))
)
3.300 3.300 0.000 peak 352 weight 0.10000E+01 volume 0.13610E+01 ppm1 8.866 ppm2 3.129
ASSI (
(( segid " " and resid 1020 and name HN ))
)(
(( segid " " and resid 1020 and name HB2 ))
)
5.000 5.000 0.000 peak 354 weight 0.10000E+01 volume 0.60900E+00 ppm1 8.866 ppm2 2.335
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 994 and name HA ))
)
5.000 5.000 0.000 peak 910 weight 0.10000E+01 volume -0.21100E+00 ppm1 9.128 ppm2 5.118
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 994 and name HB1 ))
)
5.000 5.000 0.000 peak 89 weight 0.10000E+01 volume -0.31000E+00 ppm1 9.126 ppm2 3.134
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 994 and name HB2 ))
)
5.000 5.000 0.000 peak 88 weight 0.10000E+01 volume -0.45600E+00 ppm1 9.128 ppm2 2.501
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 995 and name HN ))
)
5.000 5.000 0.000 peak 91 weight 0.10000E+01 volume -0.93900E+00 ppm1 9.126 ppm2 9.415
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 1021 and name HB1 ))
)
3.300 3.300 0.000 peak 86 weight 0.10000E+01 volume -0.17720E+01 ppm1 9.125 ppm2 1.998
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 1021 and name HB2 ))
)
5.000 5.000 0.000 peak 45 weight 0.10000E+01 volume -0.11680E+01 ppm1 9.126 ppm2 1.839
ASSI (
(( segid " " and resid 1021 and name HN ))
)(
(( segid " " and resid 1021 and name HG2 ))
OR
(( segid " " and resid 1021 and name HG1 ))
)
5.000 5.000 0.000 peak 87 weight 0.10000E+01 volume -0.57900E+00 ppm1 9.128 ppm2 2.326
ASSI (
(( segid " " and resid 1021 and name HE21))
)(
(( segid " " and resid 1021 and name HE22))
)
2.700 2.700 0.000 peak 465 weight 0.10000E+01 volume 0.94360E+01 ppm1 7.427 ppm2 6.768
ASSI (
(( segid " " and resid 1022 and name HN ))
)(
(( segid " " and resid 1021 and name HG2 ))
OR
(( segid " " and resid 1021 and name HG1 ))
)
5.000 5.000 0.000 peak 603 weight 0.10000E+01 volume -0.25700E+00 ppm1 9.124 ppm2 2.296
ASSI (
(( segid " " and resid 1022 and name HN ))
)(
(( segid " " and resid 1022 and name HA ))
)
5.000 5.000 0.000 peak 602 weight 0.10000E+01 volume -0.29500E+00 ppm1 9.124 ppm2 3.718
ASSI (
(( segid " " and resid 1022 and name HN ))
)(
(( segid " " and resid 1022 and name HB2 ))
OR
(( segid " " and resid 1022 and name HB1 ))
)
3.300 3.300 0.000 peak 605 weight 0.10000E+01 volume -0.15580E+01 ppm1 9.128 ppm2 1.618
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 994 and name HA ))
)
3.300 3.300 0.000 peak 631 weight 0.10000E+01 volume -0.14100E+01 ppm1 7.902 ppm2 5.117
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1022 and name HA ))
)
2.700 2.700 0.000 peak 634 weight 0.10000E+01 volume -0.41950E+01 ppm1 7.900 ppm2 3.719
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1023 and name HA ))
)
5.000 5.000 0.000 peak 633 weight 0.10000E+01 volume -0.81500E+00 ppm1 7.900 ppm2 4.172
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1023 and name HB ))
)
3.300 3.300 0.000 peak 640 weight 0.10000E+01 volume -0.22900E+01 ppm1 7.899 ppm2 1.595
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1023 and name HD13))
OR
(( segid " " and resid 1023 and name HD12))
)
5.000 5.000 0.000 peak 644 weight 0.10000E+01 volume -0.28800E+00 ppm1 7.900 ppm2 0.682
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1023 and name HG11))
)
3.300 3.300 0.000 peak 638 weight 0.10000E+01 volume -0.15560E+01 ppm1 7.901 ppm2 1.371
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1023 and name HG12))
)
5.000 5.000 0.000 peak 2215 weight 0.10000E+01 volume -0.59800E+00 ppm1 7.899 ppm2 0.829
ASSI (
(( segid " " and resid 1023 and name HN ))
)(
(( segid " " and resid 1023 and name HG23))
OR
(( segid " " and resid 1023 and name HG22))
OR
(( segid " " and resid 1023 and name HG21))
)
5.000 5.000 0.000 peak 643 weight 0.10000E+01 volume -0.73100E+00 ppm1 7.900 ppm2 0.868
ASSI (
(( segid " " and resid 966 and name HB1 ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1583 weight 0.10000E+01 volume 0.38400E+00 ppm1 1.654 ppm2 -0.644
ASSI (
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1578 weight 0.10000E+01 volume 0.72800E+00 ppm1 1.553 ppm2 -0.645
ASSI (
(( segid " " and resid 974 and name HG23))
OR
(( segid " " and resid 974 and name HG22))
OR
(( segid " " and resid 974 and name HG21))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1572 weight 0.10000E+01 volume 0.94900E+00 ppm1 0.219 ppm2 -0.647
ASSI (
(( segid " " and resid 986 and name HG12))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1573 weight 0.10000E+01 volume 0.95600E+00 ppm1 0.443 ppm2 -0.649
ASSI (
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
OR
(( segid " " and resid 986 and name HG11))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
3.300 3.300 0.000 peak 1574 weight 0.10000E+01 volume 0.13450E+01 ppm1 0.569 ppm2 -0.649
ASSI (
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1656 weight 0.10000E+01 volume 0.41700E+00 ppm1 6.901 ppm2 -0.649
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1655 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.113 ppm2 -0.649
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
OR
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 986 and name HD13))
OR
(( segid " " and resid 986 and name HD12))
OR
(( segid " " and resid 986 and name HD11))
)
5.000 5.000 0.000 peak 1654 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.170 ppm2 -0.653
ASSI (
(( segid " " and resid 974 and name HG13))
OR
(( segid " " and resid 974 and name HG12))
OR
(( segid " " and resid 974 and name HG11))
)(
(( segid " " and resid 974 and name HG23))
OR
(( segid " " and resid 974 and name HG22))
OR
(( segid " " and resid 974 and name HG21))
)
3.300 3.300 0.000 peak 1577 weight 0.10000E+01 volume 0.18640E+01 ppm1 0.571 ppm2 0.225
ASSI (
(( segid " " and resid 996 and name HB2 ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 1570 weight 0.10000E+01 volume 0.12000E+01 ppm1 1.488 ppm2 0.415
ASSI (
(( segid " " and resid 1000 and name HA ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 1460 weight 0.10000E+01 volume 0.58100E+00 ppm1 4.285 ppm2 0.415
ASSI (
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
3.300 3.300 0.000 peak 1581 weight 0.10000E+01 volume 0.24280E+01 ppm1 0.667 ppm2 0.417
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 986 and name HG12))
)
5.000 5.000 0.000 peak 1650 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.110 ppm2 0.427
ASSI (
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)(
(( segid " " and resid 986 and name HG12))
)
5.000 5.000 0.000 peak 1647 weight 0.10000E+01 volume 0.40800E+00 ppm1 6.907 ppm2 0.433
ASSI (
(( segid " " and resid 986 and name HG11))
)(
(( segid " " and resid 986 and name HG12))
)
2.700 2.700 0.000 peak 1580 weight 0.10000E+01 volume 0.43320E+01 ppm1 0.564 ppm2 0.435
ASSI (
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
OR
(( segid " " and resid 986 and name HG11))
)
3.300 3.300 0.000 peak 1646 weight 0.10000E+01 volume 0.16850E+01 ppm1 6.898 ppm2 0.610
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG11))
)
5.000 5.000 0.000 peak 1649 weight 0.10000E+01 volume 0.18500E+00 ppm1 7.112 ppm2 0.610
ASSI (
(( segid " " and resid 976 and name HA ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
)
5.000 5.000 0.000 peak 1422 weight 0.10000E+01 volume 0.12330E+01 ppm1 3.972 ppm2 0.613
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
OR
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
OR
(( segid " " and resid 986 and name HG11))
)
5.000 5.000 0.000 peak 1648 weight 0.10000E+01 volume 0.22000E+00 ppm1 7.164 ppm2 0.614
ASSI (
(( segid " " and resid 988 and name HB2 ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
5.000 5.000 0.000 peak 1571 weight 0.10000E+01 volume 0.61800E+00 ppm1 2.383 ppm2 0.666
ASSI (
(( segid " " and resid 988 and name HB1 ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
5.000 5.000 0.000 peak 1531 weight 0.10000E+01 volume 0.42800E+00 ppm1 2.612 ppm2 0.671
ASSI (
(( segid " " and resid 999 and name HB1 ))
)(
(( segid " " and resid 1015 and name HG23))
OR
(( segid " " and resid 1015 and name HG22))
OR
(( segid " " and resid 1015 and name HG21))
)
5.000 5.000 0.000 peak 1495 weight 0.10000E+01 volume 0.20300E+00 ppm1 3.402 ppm2 0.906
ASSI (
(( segid " " and resid 971 and name HD22))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
5.000 5.000 0.000 peak 1636 weight 0.10000E+01 volume 0.54200E+00 ppm1 6.922 ppm2 0.908
ASSI (
(( segid " " and resid 966 and name HD2 ))
OR
(( segid " " and resid 966 and name HD1 ))
)(
(( segid " " and resid 980 and name HG23))
OR
(( segid " " and resid 980 and name HG22))
OR
(( segid " " and resid 980 and name HG21))
)
5.000 5.000 0.000 peak 1496 weight 0.10000E+01 volume 0.24100E+00 ppm1 3.563 ppm2 0.968
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
)(
(( segid " " and resid 980 and name HG23))
OR
(( segid " " and resid 980 and name HG22))
OR
(( segid " " and resid 980 and name HG21))
)
5.000 5.000 0.000 peak 1638 weight 0.10000E+01 volume 0.10030E+01 ppm1 7.166 ppm2 0.972
ASSI (
(( segid " " and resid 1001 and name HB2 ))
OR
(( segid " " and resid 1001 and name HB1 ))
)(
(( segid " " and resid 987 and name HG23))
OR
(( segid " " and resid 987 and name HG22))
OR
(( segid " " and resid 987 and name HG21))
)
5.000 5.000 0.000 peak 1425 weight 0.10000E+01 volume 0.41600E+00 ppm1 3.868 ppm2 1.089
ASSI (
(( segid " " and resid 1001 and name HA ))
)(
(( segid " " and resid 987 and name HG23))
OR
(( segid " " and resid 987 and name HG22))
OR
(( segid " " and resid 987 and name HG21))
)
5.000 5.000 0.000 peak 1402 weight 0.10000E+01 volume 0.29400E+00 ppm1 5.299 ppm2 1.089
ASSI (
(( segid " " and resid 987 and name HA ))
)(
(( segid " " and resid 987 and name HG23))
OR
(( segid " " and resid 987 and name HG22))
OR
(( segid " " and resid 987 and name HG21))
)
5.000 5.000 0.000 peak 1403 weight 0.10000E+01 volume 0.89000E+00 ppm1 5.169 ppm2 1.092
ASSI (
(( segid " " and resid 1022 and name HA ))
)(
(( segid " " and resid 1022 and name HG2 ))
)
5.000 5.000 0.000 peak 1427 weight 0.10000E+01 volume 0.38700E+00 ppm1 3.711 ppm2 1.227
ASSI (
(( segid " " and resid 969 and name HB1 ))
)(
(( segid " " and resid 969 and name HB2 ))
)
2.700 2.700 0.000 peak 1518 weight 0.10000E+01 volume 0.31600E+01 ppm1 2.152 ppm2 1.339
ASSI (
(( segid " " and resid 994 and name HA ))
)(
(( segid " " and resid 1023 and name HG11))
)
5.000 5.000 0.000 peak 1399 weight 0.10000E+01 volume 0.59400E+00 ppm1 5.107 ppm2 1.362
ASSI (
(( segid " " and resid 1017 and name HD1 ))
)(
(( segid " " and resid 1016 and name HG2 ))
OR
(( segid " " and resid 1016 and name HG1 ))
)
5.000 5.000 0.000 peak 1450 weight 0.10000E+01 volume 0.23200E+00 ppm1 3.807 ppm2 1.542
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)
5.000 5.000 0.000 peak 1631 weight 0.10000E+01 volume 0.11840E+01 ppm1 7.114 ppm2 1.553
ASSI (
(( segid " " and resid 1013 and name HB1 ))
)(
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)
5.000 5.000 0.000 peak 1483 weight 0.10000E+01 volume 0.49900E+00 ppm1 3.334 ppm2 1.554
ASSI (
(( segid " " and resid 994 and name HD2 ))
)(
(( segid " " and resid 1022 and name HB2 ))
OR
(( segid " " and resid 1022 and name HB1 ))
)
5.000 5.000 0.000 peak 1672 weight 0.10000E+01 volume 0.57100E+00 ppm1 6.507 ppm2 1.613
ASSI (
(( segid " " and resid 969 and name HD2 ))
)(
(( segid " " and resid 969 and name HG2 ))
OR
(( segid " " and resid 969 and name HG1 ))
)
5.000 5.000 0.000 peak 1485 weight 0.10000E+01 volume 0.64100E+00 ppm1 3.268 ppm2 1.636
ASSI (
(( segid " " and resid 967 and name HD2 ))
)(
(( segid " " and resid 967 and name HG2 ))
)
5.000 5.000 0.000 peak 1500 weight 0.10000E+01 volume 0.88100E+00 ppm1 3.601 ppm2 1.884
ASSI (
(( segid " " and resid 963 and name HA ))
)(
(( segid " " and resid 963 and name HB1 ))
)
5.000 5.000 0.000 peak 1432 weight 0.10000E+01 volume 0.75600E+00 ppm1 4.113 ppm2 2.124
ASSI (
(( segid " " and resid 1021 and name HE21))
)(
(( segid " " and resid 1021 and name HG2 ))
OR
(( segid " " and resid 1021 and name HG1 ))
)
5.000 5.000 0.000 peak 1678 weight 0.10000E+01 volume 0.18600E+00 ppm1 7.419 ppm2 2.295
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
)(
(( segid " " and resid 980 and name HB ))
)
5.000 5.000 0.000 peak 1197 weight 0.10000E+01 volume 0.11610E+01 ppm1 7.168 ppm2 2.340
ASSI (
(( segid " " and resid 1000 and name HA ))
)(
(( segid " " and resid 988 and name HB2 ))
)
5.000 5.000 0.000 peak 1441 weight 0.10000E+01 volume 0.37300E+00 ppm1 4.284 ppm2 2.382
ASSI (
(( segid " " and resid 979 and name HB1 ))
)(
(( segid " " and resid 979 and name HB2 ))
)
2.700 2.700 0.000 peak 1508 weight 0.10000E+01 volume 0.40910E+01 ppm1 3.015 ppm2 2.698
ASSI (
(( segid " " and resid 969 and name HD2 ))
)(
(( segid " " and resid 968 and name HB1 ))
)
5.000 5.000 0.000 peak 1584 weight 0.10000E+01 volume 0.33600E+00 ppm1 3.260 ppm2 2.718
ASSI (
(( segid " " and resid 994 and name HD2 ))
)(
(( segid " " and resid 971 and name HB1 ))
)
5.000 5.000 0.000 peak 1667 weight 0.10000E+01 volume 0.23100E+00 ppm1 6.505 ppm2 2.718
ASSI (
(( segid " " and resid 994 and name HB1 ))
)(
(( segid " " and resid 990 and name HB1 ))
)
3.300 3.300 0.000 peak 1506 weight 0.10000E+01 volume 0.14320E+01 ppm1 3.143 ppm2 2.891
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
OR
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 966 and name HD2 ))
OR
(( segid " " and resid 966 and name HD1 ))
)
5.000 5.000 0.000 peak 1223 weight 0.10000E+01 volume 0.21100E+00 ppm1 7.168 ppm2 3.554
ASSI (
(( segid " " and resid 965 and name HB ))
)(
(( segid " " and resid 966 and name HD2 ))
OR
(( segid " " and resid 966 and name HD1 ))
)
2.700 2.700 0.000 peak 1596 weight 0.10000E+01 volume 0.46170E+01 ppm1 3.953 ppm2 3.558
ASSI (
(( segid " " and resid 994 and name HD2 ))
)(
(( segid " " and resid 1022 and name HA ))
)
5.000 5.000 0.000 peak 1380 weight 0.10000E+01 volume 0.67600E+00 ppm1 6.505 ppm2 3.713
ASSI (
(( segid " " and resid 1014 and name HB1 ))
)(
(( segid " " and resid 1014 and name HA ))
)
3.300 3.300 0.000 peak 1665 weight 0.10000E+01 volume 0.19480E+01 ppm1 4.190 ppm2 3.931
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1004 and name HA ))
)
5.000 5.000 0.000 peak 1214 weight 0.10000E+01 volume 0.35000E+00 ppm1 7.114 ppm2 4.034
ASSI (
(( segid " " and resid 1013 and name HH2 ))
)(
(( segid " " and resid 980 and name HA ))
)
5.000 5.000 0.000 peak 1239 weight 0.10000E+01 volume 0.82000E+00 ppm1 6.886 ppm2 4.883
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
)(
(( segid " " and resid 980 and name HA ))
)
6.000 6.000 0.000 peak 1344 weight 0.10000E+01 volume 0.97000E-01 ppm1 7.161 ppm2 4.888
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1013 and name HA ))
)
5.000 5.000 0.000 peak 1240 weight 0.10000E+01 volume 0.91400E+00 ppm1 7.114 ppm2 4.968
ASSI (
(( segid " " and resid 988 and name HD2 ))
OR
(( segid " " and resid 988 and name HD1 ))
)(
(( segid " " and resid 987 and name HA ))
)
5.000 5.000 0.000 peak 1343 weight 0.10000E+01 volume 0.14000E+00 ppm1 6.614 ppm2 5.159
ASSI (
(( segid " " and resid 1013 and name HZ3 ))
)(
(( segid " " and resid 1003 and name HA ))
)
5.000 5.000 0.000 peak 1338 weight 0.10000E+01 volume 0.51400E+00 ppm1 6.907 ppm2 5.535
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1003 and name HA ))
)
5.000 5.000 0.000 peak 1337 weight 0.10000E+01 volume 0.17700E+00 ppm1 7.110 ppm2 5.538
ASSI (
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)(
(( segid " " and resid 985 and name HA ))
)
5.000 5.000 0.000 peak 1339 weight 0.10000E+01 volume 0.35500E+00 ppm1 6.911 ppm2 5.675
ASSI (
(( segid " " and resid 971 and name HD21))
)(
(( segid " " and resid 994 and name HD2 ))
)
5.000 5.000 0.000 peak 2214 weight 0.10000E+01 volume 0.13300E+00 ppm1 7.460 ppm2 6.507
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
OR
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1013 and name HH2 ))
OR
(( segid " " and resid 1013 and name HZ3 ))
)
5.000 5.000 0.000 peak 1610 weight 0.10000E+01 volume 0.97400E+00 ppm1 7.173 ppm2 6.882
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1013 and name HZ3 ))
)
3.300 3.300 0.000 peak 1611 weight 0.10000E+01 volume 0.21520E+01 ppm1 7.121 ppm2 6.907
ASSI (
(( segid " " and resid 1000 and name HN ))
)(
(( segid " " and resid 996 and name HB1 ))
)
5.000 5.000 0.000 peak 1621 weight 0.10000E+01 volume 0.15600E+00 ppm1 9.002 ppm2 1.618
ASSI (
(( segid " " and resid 1005 and name HN ))
)(
(( segid " " and resid 1013 and name HE3 ))
)
5.000 5.000 0.000 peak 1359 weight 0.10000E+01 volume 0.15300E+00 ppm1 8.866 ppm2 7.115
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 997 and name HB ))
)
5.000 5.000 0.000 peak 1155 weight 0.10000E+01 volume 0.51800E+00 ppm1 7.853 ppm2 1.872
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
)(
(( segid " " and resid 963 and name HB1 ))
)
5.000 5.000 0.000 peak 1676 weight 0.10000E+01 volume 0.37500E+00 ppm1 7.169 ppm2 2.149
ASSI (
(( segid " " and resid 1013 and name HZ2 ))
)(
(( segid " " and resid 963 and name HB2 ))
)
5.000 5.000 0.000 peak 1675 weight 0.10000E+01 volume 0.54300E+00 ppm1 7.165 ppm2 2.066
ASSI (
(( segid " " and resid 990 and name HA ))
)(
(( segid " " and resid 972 and name HA1 ))
)
3.300 3.300 0.000 peak 1601 weight 0.10000E+01 volume 0.15760E+01 ppm1 5.397 ppm2 4.448
ASSI (
(( segid " " and resid 990 and name HA ))
)(
(( segid " " and resid 972 and name HA2 ))
)
5.000 5.000 0.000 peak 1602 weight 0.10000E+01 volume 0.85700E+00 ppm1 5.403 ppm2 4.230
ASSI (
(( segid " " and resid 988 and name HD2 ))
OR
(( segid " " and resid 988 and name HD1 ))
)(
(( segid " " and resid 988 and name HB1 ))
)
5.000 5.000 0.000 peak 1207 weight 0.10000E+01 volume 0.12270E+01 ppm1 6.612 ppm2 2.625
ASSI (
(( segid " " and resid 988 and name HD2 ))
OR
(( segid " " and resid 988 and name HD1 ))
)(
(( segid " " and resid 988 and name HB2 ))
)
3.300 3.300 0.000 peak 1209 weight 0.10000E+01 volume 0.13760E+01 ppm1 6.610 ppm2 2.382
ASSI (
(( segid " " and resid 990 and name HA ))
)(
(( segid " " and resid 990 and name HB1 ))
)
5.000 5.000 0.000 peak 1386 weight 0.10000E+01 volume 0.58600E+00 ppm1 5.399 ppm2 2.895
ASSI (
(( segid " " and resid 990 and name HA ))
)(
(( segid " " and resid 990 and name HB2 ))
)
5.000 5.000 0.000 peak 1391 weight 0.10000E+01 volume 0.34800E+00 ppm1 5.396 ppm2 2.478
ASSI (
(( segid " " and resid 988 and name HD2 ))
OR
(( segid " " and resid 988 and name HD1 ))
)(
(( segid " " and resid 1001 and name HA ))
)
5.000 5.000 0.000 peak 1341 weight 0.10000E+01 volume 0.18900E+00 ppm1 6.614 ppm2 5.299
ASSI (
(( segid " " and resid 1012 and name HD2 ))
)(
(( segid " " and resid 1010 and name HG23))
OR
(( segid " " and resid 1010 and name HG22))
OR
(( segid " " and resid 1010 and name HG21))
)
5.000 5.000 0.000 peak 1637 weight 0.10000E+01 volume 0.23500E+00 ppm1 6.994 ppm2 1.085
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1013 and name HB1 ))
)
5.000 5.000 0.000 peak 1205 weight 0.10000E+01 volume 0.59000E+00 ppm1 7.112 ppm2 3.324
ASSI (
(( segid " " and resid 1013 and name HE3 ))
)(
(( segid " " and resid 1013 and name HB2 ))
)
5.000 5.000 0.000 peak 1203 weight 0.10000E+01 volume 0.16200E+00 ppm1 7.110 ppm2 3.162
ASSI (
(( segid " " and resid 962 and name HN ))
)(
(( segid " " and resid 961 and name HD2 ))
OR
(( segid " " and resid 961 and name HD1 ))
)
5.000 5.000 0.000 peak 1159 weight 0.10000E+01 volume 0.39600E+00 ppm1 7.980 ppm2 1.659
ASSI (
(( segid " " and resid 963 and name HA ))
)(
(( segid " " and resid 963 and name HB2 ))
)
5.000 5.000 0.000 peak 1429 weight 0.10000E+01 volume 0.55700E+00 ppm1 4.076 ppm2 2.073
ASSI (
(( segid " " and resid 964 and name HA ))
)(
(( segid " " and resid 964 and name HG2 ))
OR
(( segid " " and resid 964 and name HG1 ))
)
5.000 5.000 0.000 peak 1444 weight 0.10000E+01 volume 0.40700E+00 ppm1 4.293 ppm2 1.522
ASSI (
(( segid " " and resid 965 and name HB ))
)(
(( segid " " and resid 965 and name HG23))
OR
(( segid " " and resid 965 and name HG22))
OR
(( segid " " and resid 965 and name HG21))
)
3.300 3.300 0.000 peak 1473 weight 0.10000E+01 volume 0.17530E+01 ppm1 3.928 ppm2 1.160
ASSI (
(( segid " " and resid 967 and name HD1 ))
)(
(( segid " " and resid 966 and name HA ))
)
3.300 3.300 0.000 peak 2237 weight 0.10000E+01 volume 0.14410E+01 ppm1 3.748 ppm2 4.679
ASSI (
(( segid " " and resid 967 and name HD2 ))
)(
(( segid " " and resid 966 and name HA ))
)
3.300 3.300 0.000 peak 2238 weight 0.10000E+01 volume 0.14280E+01 ppm1 3.596 ppm2 4.678
ASSI (
(( segid " " and resid 965 and name HA ))
)(
(( segid " " and resid 966 and name HD2 ))
OR
(( segid " " and resid 966 and name HD1 ))
)
3.300 3.300 0.000 peak 1595 weight 0.10000E+01 volume 0.25160E+01 ppm1 4.110 ppm2 3.554
ASSI (
(( segid " " and resid 968 and name HB1 ))
)(
(( segid " " and resid 968 and name HB2 ))
)
2.700 2.700 0.000 peak 1513 weight 0.10000E+01 volume 0.49520E+01 ppm1 2.717 ppm2 2.283
ASSI (
(( segid " " and resid 969 and name HA ))
)(
(( segid " " and resid 969 and name HB1 ))
)
5.000 5.000 0.000 peak 1417 weight 0.10000E+01 volume 0.62000E+00 ppm1 4.335 ppm2 2.149
ASSI (
(( segid " " and resid 969 and name HD1 ))
)(
(( segid " " and resid 969 and name HD2 ))
)
2.700 2.700 0.000 peak 1585 weight 0.10000E+01 volume 0.31650E+01 ppm1 3.908 ppm2 3.271
ASSI (
(( segid " " and resid 970 and name HA ))
)(
(( segid " " and resid 970 and name HG13))
OR
(( segid " " and resid 970 and name HG12))
OR
(( segid " " and resid 970 and name HG11))
)
5.000 5.000 0.000 peak 1477 weight 0.10000E+01 volume 0.98400E+00 ppm1 3.639 ppm2 1.000
ASSI (
(( segid " " and resid 970 and name HB ))
)(
(( segid " " and resid 970 and name HG13))
OR
(( segid " " and resid 970 and name HG12))
OR
(( segid " " and resid 970 and name HG11))
)
3.300 3.300 0.000 peak 1536 weight 0.10000E+01 volume 0.17160E+01 ppm1 1.810 ppm2 0.998
ASSI (
(( segid " " and resid 970 and name HA ))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
5.000 5.000 0.000 peak 1478 weight 0.10000E+01 volume 0.10960E+01 ppm1 3.640 ppm2 0.907
ASSI (
(( segid " " and resid 970 and name HB ))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
3.300 3.300 0.000 peak 1535 weight 0.10000E+01 volume 0.17050E+01 ppm1 1.821 ppm2 0.912
ASSI (
(( segid " " and resid 1020 and name HB1 ))
)(
(( segid " " and resid 970 and name HG23))
OR
(( segid " " and resid 970 and name HG22))
OR
(( segid " " and resid 970 and name HG21))
)
5.000 5.000 0.000 peak 1481 weight 0.10000E+01 volume 0.50700E+00 ppm1 3.143 ppm2 0.904
ASSI (
(( segid " " and resid 971 and name HA ))
)(
(( segid " " and resid 971 and name HB1 ))
)
5.000 5.000 0.000 peak 1504 weight 0.10000E+01 volume 0.86200E+00 ppm1 4.040 ppm2 2.724
ASSI (
(( segid " " and resid 971 and name HB1 ))
)(
(( segid " " and resid 971 and name HB2 ))
)
2.700 2.700 0.000 peak 1515 weight 0.10000E+01 volume 0.34820E+01 ppm1 2.721 ppm2 1.542
ASSI (
(( segid " " and resid 974 and name HB ))
)(
(( segid " " and resid 974 and name HG13))
OR
(( segid " " and resid 974 and name HG12))
OR
(( segid " " and resid 974 and name HG11))
)
3.300 3.300 0.000 peak 1544 weight 0.10000E+01 volume 0.20230E+01 ppm1 1.734 ppm2 0.575
ASSI (
(( segid " " and resid 974 and name HB ))
)(
(( segid " " and resid 974 and name HG23))
OR
(( segid " " and resid 974 and name HG22))
OR
(( segid " " and resid 974 and name HG21))
)
3.300 3.300 0.000 peak 1567 weight 0.10000E+01 volume 0.16810E+01 ppm1 1.743 ppm2 0.219
ASSI (
(( segid " " and resid 975 and name HD2 ))
)(
(( segid " " and resid 975 and name HB1 ))
)
5.000 5.000 0.000 peak 1206 weight 0.10000E+01 volume 0.33400E+00 ppm1 6.633 ppm2 3.148
ASSI (
(( segid " " and resid 975 and name HB1 ))
)(
(( segid " " and resid 975 and name HB2 ))
)
2.700 2.700 0.000 peak 1507 weight 0.10000E+01 volume 0.36710E+01 ppm1 3.139 ppm2 2.767
ASSI (
(( segid " " and resid 976 and name HA ))
)(
(( segid " " and resid 976 and name HB ))
)
5.000 5.000 0.000 peak 1433 weight 0.10000E+01 volume 0.25600E+00 ppm1 3.978 ppm2 1.930
ASSI (
(( segid " " and resid 976 and name HB ))
)(
(( segid " " and resid 976 and name HG23))
OR
(( segid " " and resid 976 and name HG22))
OR
(( segid " " and resid 976 and name HG21))
OR
(( segid " " and resid 976 and name HG13))
OR
(( segid " " and resid 976 and name HG12))
OR
(( segid " " and resid 976 and name HG11))
)
2.700 2.700 0.000 peak 1537 weight 0.10000E+01 volume 0.40580E+01 ppm1 1.916 ppm2 0.725
ASSI (
(( segid " " and resid 977 and name HA ))
)(
(( segid " " and resid 977 and name HB ))
)
5.000 5.000 0.000 peak 1660 weight 0.10000E+01 volume 0.92400E+00 ppm1 3.882 ppm2 1.965
ASSI (
(( segid " " and resid 977 and name HB ))
)(
(( segid " " and resid 977 and name HG12))
)
5.000 5.000 0.000 peak 1524 weight 0.10000E+01 volume 0.91000E+00 ppm1 1.959 ppm2 1.169
ASSI (
(( segid " " and resid 977 and name HB ))
)(
(( segid " " and resid 977 and name HG23))
OR
(( segid " " and resid 977 and name HG22))
OR
(( segid " " and resid 977 and name HG21))
)
3.300 3.300 0.000 peak 1534 weight 0.10000E+01 volume 0.17940E+01 ppm1 1.964 ppm2 0.945
ASSI (
(( segid " " and resid 978 and name HA ))
)(
(( segid " " and resid 978 and name HG23))
OR
(( segid " " and resid 978 and name HG22))
OR
(( segid " " and resid 978 and name HG21))
)
5.000 5.000 0.000 peak 1413 weight 0.10000E+01 volume 0.30700E+00 ppm1 4.401 ppm2 1.172
ASSI (
(( segid " " and resid 978 and name HB ))
)(
(( segid " " and resid 978 and name HG23))
OR
(( segid " " and resid 978 and name HG22))
OR
(( segid " " and resid 978 and name HG21))
)
3.300 3.300 0.000 peak 1410 weight 0.10000E+01 volume 0.19560E+01 ppm1 4.218 ppm2 1.172
ASSI (
(( segid " " and resid 980 and name HA ))
)(
(( segid " " and resid 980 and name HB ))
)
5.000 5.000 0.000 peak 1401 weight 0.10000E+01 volume 0.34500E+00 ppm1 4.884 ppm2 2.336
ASSI (
(( segid " " and resid 980 and name HB ))
)(
(( segid " " and resid 980 and name HD13))
OR
(( segid " " and resid 980 and name HD12))
OR
(( segid " " and resid 980 and name HD11))
)
5.000 5.000 0.000 peak 1529 weight 0.10000E+01 volume 0.83100E+00 ppm1 2.342 ppm2 0.897
ASSI (
(( segid " " and resid 980 and name HB ))
)(
(( segid " " and resid 980 and name HG11))
)
5.000 5.000 0.000 peak 1519 weight 0.10000E+01 volume 0.92700E+00 ppm1 2.344 ppm2 1.377
ASSI (
(( segid " " and resid 980 and name HB ))
)(
(( segid " " and resid 980 and name HG12))
)
5.000 5.000 0.000 peak 1527 weight 0.10000E+01 volume 0.37400E+00 ppm1 2.331 ppm2 1.086
ASSI (
(( segid " " and resid 980 and name HA ))
)(
(( segid " " and resid 980 and name HG23))
OR
(( segid " " and resid 980 and name HG22))
OR
(( segid " " and resid 980 and name HG21))
)
5.000 5.000 0.000 peak 1404 weight 0.10000E+01 volume 0.44600E+00 ppm1 4.887 ppm2 0.968
ASSI (
(( segid " " and resid 980 and name HB ))
)(
(( segid " " and resid 980 and name HG23))
OR
(( segid " " and resid 980 and name HG22))
OR
(( segid " " and resid 980 and name HG21))
)
5.000 5.000 0.000 peak 1528 weight 0.10000E+01 volume 0.12440E+01 ppm1 2.347 ppm2 0.968
ASSI (
(( segid " " and resid 982 and name HA ))
)(
(( segid " " and resid 982 and name HG13))
OR
(( segid " " and resid 982 and name HG12))
OR
(( segid " " and resid 982 and name HG11))
)
5.000 5.000 0.000 peak 1480 weight 0.10000E+01 volume 0.11580E+01 ppm1 3.096 ppm2 0.800
ASSI (
(( segid " " and resid 982 and name HB ))
)(
(( segid " " and resid 982 and name HG13))
OR
(( segid " " and resid 982 and name HG12))
OR
(( segid " " and resid 982 and name HG11))
)
2.700 2.700 0.000 peak 1561 weight 0.10000E+01 volume 0.33140E+01 ppm1 1.769 ppm2 0.800
ASSI (
(( segid " " and resid 982 and name HA ))
)(
(( segid " " and resid 982 and name HG23))
OR
(( segid " " and resid 982 and name HG22))
OR
(( segid " " and resid 982 and name HG21))
)
3.300 3.300 0.000 peak 1479 weight 0.10000E+01 volume 0.16740E+01 ppm1 3.096 ppm2 0.682
ASSI (
(( segid " " and resid 982 and name HB ))
)(
(( segid " " and resid 982 and name HG23))
OR
(( segid " " and resid 982 and name HG22))
OR
(( segid " " and resid 982 and name HG21))
)
3.300 3.300 0.000 peak 1542 weight 0.10000E+01 volume 0.23110E+01 ppm1 1.769 ppm2 0.686
ASSI (
(( segid " " and resid 985 and name HA ))
)(
(( segid " " and resid 985 and name HB1 ))
)
5.000 5.000 0.000 peak 1396 weight 0.10000E+01 volume 0.60500E+00 ppm1 5.676 ppm2 1.826
ASSI (
(( segid " " and resid 985 and name HD2 ))
OR
(( segid " " and resid 985 and name HD1 ))
)(
(( segid " " and resid 985 and name HB1 ))
)
5.000 5.000 0.000 peak 1502 weight 0.10000E+01 volume 0.53100E+00 ppm1 3.141 ppm2 1.822
ASSI (
(( segid " " and resid 985 and name HA ))
)(
(( segid " " and resid 985 and name HB2 ))
)
5.000 5.000 0.000 peak 1397 weight 0.10000E+01 volume 0.54600E+00 ppm1 5.676 ppm2 1.765
ASSI (
(( segid " " and resid 985 and name HD2 ))
OR
(( segid " " and resid 985 and name HD1 ))
)(
(( segid " " and resid 985 and name HB2 ))
)
5.000 5.000 0.000 peak 2220 weight 0.10000E+01 volume 0.57600E+00 ppm1 3.141 ppm2 1.765
ASSI (
(( segid " " and resid 985 and name HA ))
)(
(( segid " " and resid 985 and name HG1 ))
)
5.000 5.000 0.000 peak 1705 weight 0.10000E+01 volume 0.20800E+00 ppm1 5.677 ppm2 1.676
ASSI (
(( segid " " and resid 985 and name HD2 ))
OR
(( segid " " and resid 985 and name HD1 ))
)(
(( segid " " and resid 985 and name HG1 ))
)
5.000 5.000 0.000 peak 1487 weight 0.10000E+01 volume 0.85200E+00 ppm1 3.156 ppm2 1.688
ASSI (
(( segid " " and resid 985 and name HA ))
)(
(( segid " " and resid 985 and name HG2 ))
)
5.000 5.000 0.000 peak 1398 weight 0.10000E+01 volume 0.22400E+00 ppm1 5.674 ppm2 1.513
ASSI (
(( segid " " and resid 985 and name HD2 ))
OR
(( segid " " and resid 985 and name HD1 ))
)(
(( segid " " and resid 985 and name HG2 ))
)
3.300 3.300 0.000 peak 1490 weight 0.10000E+01 volume 0.16060E+01 ppm1 3.149 ppm2 1.526
ASSI (
(( segid " " and resid 986 and name HA ))
)(
(( segid " " and resid 986 and name HB ))
)
5.000 5.000 0.000 peak 1400 weight 0.10000E+01 volume 0.56200E+00 ppm1 4.937 ppm2 1.305
ASSI (
(( segid " " and resid 987 and name HN ))
)(
(( segid " " and resid 986 and name HB ))
)
5.000 5.000 0.000 peak 1086 weight 0.10000E+01 volume 0.11610E+01 ppm1 7.992 ppm2 1.309
ASSI (
(( segid " " and resid 986 and name HB ))
)(
(( segid " " and resid 986 and name HG11))
)
3.300 3.300 0.000 peak 2235 weight 0.10000E+01 volume 0.13650E+01 ppm1 1.306 ppm2 0.562
ASSI (
(( segid " " and resid 986 and name HB ))
)(
(( segid " " and resid 986 and name HG12))
)
5.000 5.000 0.000 peak 1565 weight 0.10000E+01 volume 0.71700E+00 ppm1 1.303 ppm2 0.422
ASSI (
(( segid " " and resid 986 and name HA ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
)
5.000 5.000 0.000 peak 1405 weight 0.10000E+01 volume 0.65600E+00 ppm1 4.939 ppm2 0.615
ASSI (
(( segid " " and resid 986 and name HB ))
)(
(( segid " " and resid 986 and name HG23))
OR
(( segid " " and resid 986 and name HG22))
OR
(( segid " " and resid 986 and name HG21))
)
2.700 2.700 0.000 peak 1552 weight 0.10000E+01 volume 0.33220E+01 ppm1 1.302 ppm2 0.613
ASSI (
(( segid " " and resid 1001 and name HA ))
)(
(( segid " " and resid 987 and name HA ))
)
2.700 2.700 0.000 peak 1346 weight 0.10000E+01 volume 0.28280E+01 ppm1 5.302 ppm2 5.169
ASSI (
(( segid " " and resid 987 and name HA ))
)(
(( segid " " and resid 987 and name HB ))
)
5.000 5.000 0.000 peak 1603 weight 0.10000E+01 volume 0.12820E+01 ppm1 5.170 ppm2 4.266
ASSI (
(( segid " " and resid 987 and name HB ))
)(
(( segid " " and resid 987 and name HG23))
OR
(( segid " " and resid 987 and name HG22))
OR
(( segid " " and resid 987 and name HG21))
)
3.300 3.300 0.000 peak 1408 weight 0.10000E+01 volume 0.15410E+01 ppm1 4.261 ppm2 1.094
ASSI (
(( segid " " and resid 988 and name HA ))
)(
(( segid " " and resid 988 and name HB1 ))
)
5.000 5.000 0.000 peak 1390 weight 0.10000E+01 volume 0.63200E+00 ppm1 5.401 ppm2 2.618
ASSI (
(( segid " " and resid 988 and name HA ))
)(
(( segid " " and resid 988 and name HB2 ))
)
5.000 5.000 0.000 peak 1393 weight 0.10000E+01 volume 0.34600E+00 ppm1 5.396 ppm2 2.376
ASSI (
(( segid " " and resid 988 and name HB1 ))
)(
(( segid " " and resid 988 and name HB2 ))
)
2.700 2.700 0.000 peak 1512 weight 0.10000E+01 volume 0.46810E+01 ppm1 2.612 ppm2 2.379
ASSI (
(( segid " " and resid 988 and name HD2 ))
OR
(( segid " " and resid 988 and name HD1 ))
)(
(( segid " " and resid 988 and name HE2 ))
OR
(( segid " " and resid 988 and name HE1 ))
)
3.300 3.300 0.000 peak 1347 weight 0.10000E+01 volume 0.23310E+01 ppm1 6.608 ppm2 6.430
ASSI (
(( segid " " and resid 989 and name HN ))
)(
(( segid " " and resid 989 and name HG ))
)
5.000 5.000 0.000 peak 1615 weight 0.10000E+01 volume 0.47800E+00 ppm1 8.855 ppm2 6.631
ASSI (
(( segid " " and resid 990 and name HB1 ))
)(
(( segid " " and resid 990 and name HB2 ))
)
2.700 2.700 0.000 peak 1510 weight 0.10000E+01 volume 0.40440E+01 ppm1 2.888 ppm2 2.475
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 990 and name HB2 ))
)
5.000 5.000 0.000 peak 1177 weight 0.10000E+01 volume 0.25000E+00 ppm1 8.479 ppm2 2.478
ASSI (
(( segid " " and resid 991 and name HA ))
)(
(( segid " " and resid 991 and name HB ))
)
2.700 2.700 0.000 peak 2176 weight 0.10000E+01 volume 0.38980E+01 ppm1 4.208 ppm2 4.069
ASSI (
(( segid " " and resid 991 and name HN ))
)(
(( segid " " and resid 991 and name HG1 ))
)
5.000 5.000 0.000 peak 1614 weight 0.10000E+01 volume 0.44600E+00 ppm1 8.464 ppm2 6.615
ASSI (
(( segid " " and resid 991 and name HA ))
)(
(( segid " " and resid 991 and name HG23))
OR
(( segid " " and resid 991 and name HG22))
OR
(( segid " " and resid 991 and name HG21))
)
5.000 5.000 0.000 peak 1409 weight 0.10000E+01 volume 0.10990E+01 ppm1 4.207 ppm2 1.101
ASSI (
(( segid " " and resid 991 and name HB ))
)(
(( segid " " and resid 991 and name HG23))
OR
(( segid " " and resid 991 and name HG22))
OR
(( segid " " and resid 991 and name HG21))
)
2.700 2.700 0.000 peak 1411 weight 0.10000E+01 volume 0.32840E+01 ppm1 4.055 ppm2 1.096
ASSI (
(( segid " " and resid 992 and name HB ))
)(
(( segid " " and resid 992 and name HG23))
OR
(( segid " " and resid 992 and name HG22))
OR
(( segid " " and resid 992 and name HG21))
)
3.300 3.300 0.000 peak 1472 weight 0.10000E+01 volume 0.17990E+01 ppm1 4.041 ppm2 1.252
ASSI (
(( segid " " and resid 993 and name HA1 ))
)(
(( segid " " and resid 993 and name HA2 ))
)
2.700 2.700 0.000 peak 1593 weight 0.10000E+01 volume 0.38910E+01 ppm1 4.108 ppm2 3.641
ASSI (
(( segid " " and resid 994 and name HD2 ))
)(
(( segid " " and resid 994 and name HA ))
)
5.000 5.000 0.000 peak 1342 weight 0.10000E+01 volume 0.12000E+00 ppm1 6.503 ppm2 5.105
ASSI (
(( segid " " and resid 994 and name HA ))
)(
(( segid " " and resid 994 and name HB1 ))
)
5.000 5.000 0.000 peak 1387 weight 0.10000E+01 volume 0.45500E+00 ppm1 5.110 ppm2 3.137
ASSI (
(( segid " " and resid 994 and name HD2 ))
)(
(( segid " " and resid 994 and name HB1 ))
)
5.000 5.000 0.000 peak 1381 weight 0.10000E+01 volume 0.22800E+00 ppm1 6.508 ppm2 3.130
ASSI (
(( segid " " and resid 994 and name HA ))
)(
(( segid " " and resid 994 and name HB2 ))
)
5.000 5.000 0.000 peak 1389 weight 0.10000E+01 volume 0.10850E+01 ppm1 5.107 ppm2 2.497
ASSI (
(( segid " " and resid 994 and name HB1 ))
)(
(( segid " " and resid 994 and name HB2 ))
)
2.700 2.700 0.000 peak 1503 weight 0.10000E+01 volume 0.34430E+01 ppm1 3.134 ppm2 2.491
ASSI (
(( segid " " and resid 994 and name HD2 ))
)(
(( segid " " and resid 994 and name HB2 ))
)
5.000 5.000 0.000 peak 1666 weight 0.10000E+01 volume 0.52900E+00 ppm1 6.505 ppm2 2.495
ASSI (
(( segid " " and resid 995 and name HD2 ))
OR
(( segid " " and resid 995 and name HD1 ))
)(
(( segid " " and resid 995 and name HG2 ))
OR
(( segid " " and resid 995 and name HG1 ))
)
3.300 3.300 0.000 peak 1491 weight 0.10000E+01 volume 0.15740E+01 ppm1 3.100 ppm2 1.524
ASSI (
(( segid " " and resid 996 and name HB2 ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
3.300 3.300 0.000 peak 1548 weight 0.10000E+01 volume 0.17390E+01 ppm1 1.481 ppm2 0.668
ASSI (
(( segid " " and resid 996 and name HG ))
)(
(( segid " " and resid 996 and name HD13))
OR
(( segid " " and resid 996 and name HD12))
OR
(( segid " " and resid 996 and name HD11))
)
2.700 2.700 0.000 peak 1559 weight 0.10000E+01 volume 0.29530E+01 ppm1 1.150 ppm2 0.666
ASSI (
(( segid " " and resid 996 and name HB1 ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
5.000 5.000 0.000 peak 1569 weight 0.10000E+01 volume 0.11020E+01 ppm1 1.603 ppm2 0.417
ASSI (
(( segid " " and resid 996 and name HG ))
)(
(( segid " " and resid 996 and name HD23))
OR
(( segid " " and resid 996 and name HD22))
OR
(( segid " " and resid 996 and name HD21))
)
3.300 3.300 0.000 peak 1564 weight 0.10000E+01 volume 0.14910E+01 ppm1 1.149 ppm2 0.419
ASSI (
(( segid " " and resid 996 and name HB2 ))
)(
(( segid " " and resid 996 and name HG ))
)
2.700 2.700 0.000 peak 1546 weight 0.10000E+01 volume 0.41310E+01 ppm1 1.486 ppm2 1.164
ASSI (
(( segid " " and resid 997 and name HA ))
)(
(( segid " " and resid 997 and name HG23))
OR
(( segid " " and resid 997 and name HG22))
OR
(( segid " " and resid 997 and name HG21))
)
5.000 5.000 0.000 peak 1453 weight 0.10000E+01 volume 0.77900E+00 ppm1 4.246 ppm2 0.765
ASSI (
(( segid " " and resid 997 and name HB ))
)(
(( segid " " and resid 997 and name HG23))
OR
(( segid " " and resid 997 and name HG22))
OR
(( segid " " and resid 997 and name HG21))
)
2.700 2.700 0.000 peak 1538 weight 0.10000E+01 volume 0.34940E+01 ppm1 1.869 ppm2 0.765
ASSI (
(( segid " " and resid 999 and name HB1 ))
)(
(( segid " " and resid 999 and name HB2 ))
)
2.700 2.700 0.000 peak 1588 weight 0.10000E+01 volume 0.38910E+01 ppm1 3.421 ppm2 3.138
ASSI (
(( segid " " and resid 1000 and name HN ))
)(
(( segid " " and resid 1001 and name HB2 ))
OR
(( segid " " and resid 1001 and name HB1 ))
)
5.000 5.000 0.000 peak 1307 weight 0.10000E+01 volume 0.24900E+00 ppm1 8.992 ppm2 3.889
ASSI (
(( segid " " and resid 1001 and name HA ))
)(
(( segid " " and resid 1001 and name HB1 ))
)
5.000 5.000 0.000 peak 1382 weight 0.10000E+01 volume 0.10430E+01 ppm1 5.299 ppm2 3.914
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 1001 and name HB1 ))
)
5.000 5.000 0.000 peak 1706 weight 0.10000E+01 volume 0.23000E+00 ppm1 7.745 ppm2 3.914
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 1001 and name HB1 ))
)
5.000 5.000 0.000 peak 1296 weight 0.10000E+01 volume 0.67400E+00 ppm1 8.329 ppm2 3.921
ASSI (
(( segid " " and resid 1001 and name HA ))
)(
(( segid " " and resid 1001 and name HB2 ))
)
5.000 5.000 0.000 peak 1383 weight 0.10000E+01 volume 0.10550E+01 ppm1 5.299 ppm2 3.867
ASSI (
(( segid " " and resid 1001 and name HN ))
)(
(( segid " " and resid 1001 and name HB2 ))
)
5.000 5.000 0.000 peak 1233 weight 0.10000E+01 volume 0.33300E+00 ppm1 7.740 ppm2 3.870
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 1001 and name HB2 ))
)
5.000 5.000 0.000 peak 1299 weight 0.10000E+01 volume 0.43300E+00 ppm1 8.325 ppm2 3.872
ASSI (
(( segid " " and resid 1002 and name HN ))
)(
(( segid " " and resid 1002 and name HB3 ))
OR
(( segid " " and resid 1002 and name HB2 ))
OR
(( segid " " and resid 1002 and name HB1 ))
)
3.300 3.300 0.000 peak 1146 weight 0.10000E+01 volume 0.14390E+01 ppm1 8.326 ppm2 1.553
ASSI (
(( segid " " and resid 985 and name HA ))
)(
(( segid " " and resid 1003 and name HA ))
)
3.300 3.300 0.000 peak 1345 weight 0.10000E+01 volume 0.14570E+01 ppm1 5.680 ppm2 5.538
ASSI (
(( segid " " and resid 1003 and name HA ))
)(
(( segid " " and resid 1003 and name HB2 ))
OR
(( segid " " and resid 1003 and name HB1 ))
)
5.000 5.000 0.000 peak 1395 weight 0.10000E+01 volume 0.86500E+00 ppm1 5.536 ppm2 1.864
ASSI (
(( segid " " and resid 1003 and name HA ))
)(
(( segid " " and resid 1003 and name HG2 ))
OR
(( segid " " and resid 1003 and name HG1 ))
)
5.000 5.000 0.000 peak 1394 weight 0.10000E+01 volume 0.42700E+00 ppm1 5.538 ppm2 2.059
ASSI (
(( segid " " and resid 1013 and name HA ))
)(
(( segid " " and resid 1004 and name HA ))
)
5.000 5.000 0.000 peak 1604 weight 0.10000E+01 volume 0.76300E+00 ppm1 4.974 ppm2 4.034
ASSI (
(( segid " " and resid 1004 and name HA ))
)(
(( segid " " and resid 1004 and name HB2 ))
)
5.000 5.000 0.000 peak 1414 weight 0.10000E+01 volume 0.80000E+00 ppm1 4.034 ppm2 1.663
ASSI (
(( segid " " and resid 1004 and name HB1 ))
)(
(( segid " " and resid 1004 and name HB2 ))
)
2.700 2.700 0.000 peak 1516 weight 0.10000E+01 volume 0.57990E+01 ppm1 2.719 ppm2 1.678
ASSI (
(( segid " " and resid 1005 and name HB ))
)(
(( segid " " and resid 1005 and name HD13))
OR
(( segid " " and resid 1005 and name HD12))
OR
(( segid " " and resid 1005 and name HD11))
)
3.300 3.300 0.000 peak 1550 weight 0.10000E+01 volume 0.20660E+01 ppm1 1.656 ppm2 0.672
ASSI (
(( segid " " and resid 1005 and name HG11))
)(
(( segid " " and resid 1005 and name HD13))
OR
(( segid " " and resid 1005 and name HD12))
OR
(( segid " " and resid 1005 and name HD11))
)
3.300 3.300 0.000 peak 2185 weight 0.10000E+01 volume 0.16510E+01 ppm1 0.985 ppm2 0.657
ASSI (
(( segid " " and resid 1014 and name HA ))
)(
(( segid " " and resid 1005 and name HD13))
OR
(( segid " " and resid 1005 and name HD12))
OR
(( segid " " and resid 1005 and name HD11))
)
5.000 5.000 0.000 peak 1458 weight 0.10000E+01 volume 0.10710E+01 ppm1 3.930 ppm2 0.664
ASSI (
(( segid " " and resid 1014 and name HB1 ))
)(
(( segid " " and resid 1005 and name HD13))
OR
(( segid " " and resid 1005 and name HD12))
OR
(( segid " " and resid 1005 and name HD11))
)
5.000 5.000 0.000 peak 1469 weight 0.10000E+01 volume 0.49300E+00 ppm1 4.185 ppm2 0.664
ASSI (
(( segid " " and resid 1014 and name HB2 ))
)(
(( segid " " and resid 1005 and name HD13))
OR
(( segid " " and resid 1005 and name HD12))
OR
(( segid " " and resid 1005 and name HD11))
)
5.000 5.000 0.000 peak 1423 weight 0.10000E+01 volume 0.52000E+00 ppm1 4.133 ppm2 0.665
ASSI (
(( segid " " and resid 1005 and name HB ))
)(
(( segid " " and resid 1005 and name HG11))
)
5.000 5.000 0.000 peak 1540 weight 0.10000E+01 volume 0.10550E+01 ppm1 1.651 ppm2 0.990
ASSI (
(( segid " " and resid 1005 and name HG11))
)(
(( segid " " and resid 1005 and name HG12))
)
2.700 2.700 0.000 peak 2184 weight 0.10000E+01 volume 0.73500E+01 ppm1 0.980 ppm2 0.853
ASSI (
(( segid " " and resid 1014 and name HA ))
)(
(( segid " " and resid 1005 and name HG12))
)
5.000 5.000 0.000 peak 1465 weight 0.10000E+01 volume 0.37000E+00 ppm1 3.928 ppm2 0.843
ASSI (
(( segid " " and resid 1005 and name HB ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
3.300 3.300 0.000 peak 1541 weight 0.10000E+01 volume 0.25270E+01 ppm1 1.659 ppm2 0.768
ASSI (
(( segid " " and resid 1014 and name HA ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
5.000 5.000 0.000 peak 1466 weight 0.10000E+01 volume 0.31300E+00 ppm1 3.929 ppm2 0.770
ASSI (
(( segid " " and resid 1014 and name HB1 ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
5.000 5.000 0.000 peak 1461 weight 0.10000E+01 volume 0.51300E+00 ppm1 4.184 ppm2 0.765
ASSI (
(( segid " " and resid 1014 and name HB2 ))
)(
(( segid " " and resid 1005 and name HG23))
OR
(( segid " " and resid 1005 and name HG22))
OR
(( segid " " and resid 1005 and name HG21))
)
5.000 5.000 0.000 peak 1462 weight 0.10000E+01 volume 0.62100E+00 ppm1 4.138 ppm2 0.762
ASSI (
(( segid " " and resid 1007 and name HG ))
)(
(( segid " " and resid 1007 and name HB1 ))
)
5.000 5.000 0.000 peak 1219 weight 0.10000E+01 volume 0.19300E+00 ppm1 6.993 ppm2 3.723
ASSI (
(( segid " " and resid 1007 and name HG ))
)(
(( segid " " and resid 1007 and name HB2 ))
)
5.000 5.000 0.000 peak 1218 weight 0.10000E+01 volume 0.23800E+00 ppm1 6.996 ppm2 3.629
ASSI (
(( segid " " and resid 1007 and name HN ))
)(
(( segid " " and resid 1007 and name HG ))
)
6.000 6.000 0.000 peak 1365 weight 0.10000E+01 volume 0.94000E-01 ppm1 8.499 ppm2 7.000
ASSI (
(( segid " " and resid 1008 and name HA1 ))
)(
(( segid " " and resid 1008 and name HA2 ))
)
2.700 2.700 0.000 peak 1594 weight 0.10000E+01 volume 0.38390E+01 ppm1 3.953 ppm2 3.614
ASSI (
(( segid " " and resid 1007 and name HG ))
)(
(( segid " " and resid 1011 and name HA ))
)
6.000 6.000 0.000 peak 1241 weight 0.10000E+01 volume 0.49000E-01 ppm1 6.989 ppm2 5.094
ASSI (
(( segid " " and resid 1011 and name HA ))
)(
(( segid " " and resid 1011 and name HB3 ))
OR
(( segid " " and resid 1011 and name HB2 ))
OR
(( segid " " and resid 1011 and name HB1 ))
)
3.300 3.300 0.000 peak 1407 weight 0.10000E+01 volume 0.15090E+01 ppm1 5.100 ppm2 0.798
ASSI (
(( segid " " and resid 1013 and name HE1 ))
)(
(( segid " " and resid 1012 and name HA ))
)
5.000 5.000 0.000 peak 1377 weight 0.10000E+01 volume 0.12400E+00 ppm1 10.378 ppm2 4.680
ASSI (
(( segid " " and resid 1012 and name HD2 ))
)(
(( segid " " and resid 1012 and name HB1 ))
)
5.000 5.000 0.000 peak 1201 weight 0.10000E+01 volume 0.21800E+00 ppm1 6.991 ppm2 3.148
ASSI (
(( segid " " and resid 1012 and name HD2 ))
)(
(( segid " " and resid 1012 and name HB2 ))
)
5.000 5.000 0.000 peak 1200 weight 0.10000E+01 volume 0.16000E+00 ppm1 6.995 ppm2 3.069
ASSI (
(( segid " " and resid 1013 and name HA ))
)(
(( segid " " and resid 1013 and name HB1 ))
)
5.000 5.000 0.000 peak 1385 weight 0.10000E+01 volume 0.71300E+00 ppm1 4.974 ppm2 3.322
ASSI (
(( segid " " and resid 1013 and name HD1 ))
)(
(( segid " " and resid 1013 and name HB1 ))
)
5.000 5.000 0.000 peak 1194 weight 0.10000E+01 volume 0.28400E+00 ppm1 7.402 ppm2 3.319
ASSI (
(( segid " " and resid 1013 and name HA ))
)(
(( segid " " and resid 1013 and name HB2 ))
)
5.000 5.000 0.000 peak 1707 weight 0.10000E+01 volume 0.22500E+00 ppm1 4.972 ppm2 3.154
ASSI (
(( segid " " and resid 1013 and name HB1 ))
)(
(( segid " " and resid 1013 and name HB2 ))
)
2.700 2.700 0.000 peak 1590 weight 0.10000E+01 volume 0.64830E+01 ppm1 3.318 ppm2 3.155
ASSI (
(( segid " " and resid 1013 and name HD1 ))
)(
(( segid " " and resid 1013 and name HB2 ))
)
5.000 5.000 0.000 peak 1193 weight 0.10000E+01 volume 0.95200E+00 ppm1 7.400 ppm2 3.155
ASSI (
(( segid " " and resid 1013 and name HN ))
)(
(( segid " " and resid 1013 and name HB2 ))
)
3.300 3.300 0.000 peak 1172 weight 0.10000E+01 volume 0.16550E+01 ppm1 8.442 ppm2 3.156
ASSI (
(( segid " " and resid 1015 and name HB ))
)(
(( segid " " and resid 1015 and name HG23))
OR
(( segid " " and resid 1015 and name HG22))
OR
(( segid " " and resid 1015 and name HG21))
)
3.300 3.300 0.000 peak 1451 weight 0.10000E+01 volume 0.21690E+01 ppm1 4.185 ppm2 0.906
ASSI (
(( segid " " and resid 1017 and name HD2 ))
)(
(( segid " " and resid 1016 and name HA ))
)
3.300 3.300 0.000 peak 2244 weight 0.10000E+01 volume 0.15730E+01 ppm1 3.517 ppm2 4.532
ASSI (
(( segid " " and resid 1016 and name HN ))
)(
(( segid " " and resid 1016 and name HD2 ))
OR
(( segid " " and resid 1016 and name HD1 ))
)
3.300 3.300 0.000 peak 1143 weight 0.10000E+01 volume 0.13510E+01 ppm1 8.305 ppm2 1.719
ASSI (
(( segid " " and resid 1017 and name HD1 ))
)(
(( segid " " and resid 1017 and name HD2 ))
)
2.700 2.700 0.000 peak 464 weight 0.10000E+01 volume 0.47560E+01 ppm1 3.807 ppm2 3.516
ASSI (
(( segid " " and resid 1017 and name HD1 ))
)(
(( segid " " and resid 1017 and name HG1 ))
)
5.000 5.000 0.000 peak 1435 weight 0.10000E+01 volume 0.11660E+01 ppm1 3.811 ppm2 1.965
ASSI (
(( segid " " and resid 1017 and name HD2 ))
)(
(( segid " " and resid 1017 and name HG1 ))
)
5.000 5.000 0.000 peak 1497 weight 0.10000E+01 volume 0.10320E+01 ppm1 3.521 ppm2 1.967
ASSI (
(( segid " " and resid 1017 and name HD1 ))
)(
(( segid " " and resid 1017 and name HG2 ))
)
5.000 5.000 0.000 peak 1431 weight 0.10000E+01 volume 0.63300E+00 ppm1 3.808 ppm2 1.829
ASSI (
(( segid " " and resid 1017 and name HD2 ))
)(
(( segid " " and resid 1017 and name HG2 ))
)
5.000 5.000 0.000 peak 1501 weight 0.10000E+01 volume 0.10950E+01 ppm1 3.514 ppm2 1.822
ASSI (
(( segid " " and resid 1019 and name HN ))
)(
(( segid " " and resid 1018 and name HA ))
)
3.300 3.300 0.000 peak 1710 weight 0.10000E+01 volume 0.19330E+01 ppm1 7.852 ppm2 4.588
ASSI (
(( segid " " and resid 1019 and name HA ))
)(
(( segid " " and resid 1019 and name HB ))
)
6.000 6.000 0.000 peak 1443 weight 0.10000E+01 volume 0.82000E-01 ppm1 4.349 ppm2 1.742
ASSI (
(( segid " " and resid 1019 and name HB ))
)(
(( segid " " and resid 1019 and name HG12))
)
5.000 5.000 0.000 peak 1526 weight 0.10000E+01 volume 0.12650E+01 ppm1 1.737 ppm2 1.117
ASSI (
(( segid " " and resid 1019 and name HA ))
)(
(( segid " " and resid 1019 and name HG23))
OR
(( segid " " and resid 1019 and name HG22))
OR
(( segid " " and resid 1019 and name HG21))
)
5.000 5.000 0.000 peak 1455 weight 0.10000E+01 volume 0.14600E+00 ppm1 4.348 ppm2 0.819
ASSI (
(( segid " " and resid 1019 and name HB ))
)(
(( segid " " and resid 1019 and name HG23))
OR
(( segid " " and resid 1019 and name HG22))
OR
(( segid " " and resid 1019 and name HG21))
)
2.700 2.700 0.000 peak 1562 weight 0.10000E+01 volume 0.31780E+01 ppm1 1.742 ppm2 0.825
ASSI (
(( segid " " and resid 1020 and name HA ))
)(
(( segid " " and resid 1020 and name HB1 ))
)
5.000 5.000 0.000 peak 1388 weight 0.10000E+01 volume 0.28200E+00 ppm1 5.306 ppm2 3.127
ASSI (
(( segid " " and resid 1020 and name HA ))
)(
(( segid " " and resid 1020 and name HB2 ))
)
5.000 5.000 0.000 peak 1392 weight 0.10000E+01 volume 0.57100E+00 ppm1 5.323 ppm2 2.329
ASSI (
(( segid " " and resid 1020 and name HB1 ))
)(
(( segid " " and resid 1020 and name HB2 ))
)
2.700 2.700 0.000 peak 1499 weight 0.10000E+01 volume 0.38790E+01 ppm1 3.118 ppm2 2.326
ASSI (
(( segid " " and resid 994 and name HA ))
)(
(( segid " " and resid 1022 and name HA ))
)
5.000 5.000 0.000 peak 1384 weight 0.10000E+01 volume 0.11470E+01 ppm1 5.107 ppm2 3.710
ASSI (
(( segid " " and resid 1022 and name HA ))
)(
(( segid " " and resid 1022 and name HB2 ))
OR
(( segid " " and resid 1022 and name HB1 ))
)
5.000 5.000 0.000 peak 1419 weight 0.10000E+01 volume 0.84000E+00 ppm1 3.716 ppm2 1.618
ASSI (
(( segid " " and resid 1022 and name HD2 ))
OR
(( segid " " and resid 1022 and name HD1 ))
)(
(( segid " " and resid 1022 and name HB2 ))
OR
(( segid " " and resid 1022 and name HB1 ))
)
5.000 5.000 0.000 peak 1486 weight 0.10000E+01 volume 0.59100E+00 ppm1 2.990 ppm2 1.612
ASSI (
(( segid " " and resid 1022 and name HA ))
)(
(( segid " " and resid 1022 and name HD2 ))
OR
(( segid " " and resid 1022 and name HD1 ))
)
6.000 6.000 0.000 peak 1709 weight 0.10000E+01 volume 0.96000E-01 ppm1 3.702 ppm2 2.994
ASSI (
(( segid " " and resid 1022 and name HD2 ))
OR
(( segid " " and resid 1022 and name HD1 ))
)(
(( segid " " and resid 1022 and name HG1 ))
)
5.000 5.000 0.000 peak 1492 weight 0.10000E+01 volume 0.48500E+00 ppm1 2.992 ppm2 1.344
ASSI (
(( segid " " and resid 1022 and name HD2 ))
OR
(( segid " " and resid 1022 and name HD1 ))
)(
(( segid " " and resid 1022 and name HG2 ))
)
5.000 5.000 0.000 peak 1493 weight 0.10000E+01 volume 0.37900E+00 ppm1 2.976 ppm2 1.228
ASSI (
(( segid " " and resid 1023 and name HA ))
)(
(( segid " " and resid 1023 and name HB ))
)
5.000 5.000 0.000 peak 1442 weight 0.10000E+01 volume 0.32600E+00 ppm1 4.167 ppm2 1.581
ASSI (
(( segid " " and resid 1023 and name HA ))
)(
(( segid " " and resid 1023 and name HG11))
)
5.000 5.000 0.000 peak 1418 weight 0.10000E+01 volume 0.27400E+00 ppm1 4.171 ppm2 1.367
ASSI (
(( segid " " and resid 1023 and name HA ))
)(
(( segid " " and resid 1023 and name HG12))
)
5.000 5.000 0.000 peak 1463 weight 0.10000E+01 volume 0.91400E+00 ppm1 4.173 ppm2 0.829
ASSI (
(( segid " " and resid 1023 and name HB ))
)(
(( segid " " and resid 1023 and name HG23))
OR
(( segid " " and resid 1023 and name HG22))
OR
(( segid " " and resid 1023 and name HG21))
)
2.700 2.700 0.000 peak 1555 weight 0.10000E+01 volume 0.28860E+01 ppm1 1.573 ppm2 0.873
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