NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
1548 |
1ap7   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI {10912}
(segid " " and resid "2 " and name "HA ")
(segid " " and resid "2 " and name "HB1 ")
5.000 5.000 0.000 peak 10912 weight 0.10000E+01 volume 0.11480E+01 ppm1 4.484 ppm2 3.889
OR {10912}
(segid " " and resid "2 " and name "HA ")
(segid " " and resid "2 " and name "HB2 ")
ASSI {10914}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HB1 ")
3.300 3.300 0.000 peak 10914 weight 0.10000E+01 volume 0.34030E+01 ppm1 4.298 ppm2 2.046
ASSI {10915}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HB2 ")
2.700 2.700 0.000 peak 10915 weight 0.10000E+01 volume 0.44230E+01 ppm1 4.305 ppm2 1.957
ASSI {10916}
(segid " " and resid "6 " and name "HA ")
(segid " " and resid "6 " and name "HG2 ")
3.300 3.300 0.000 peak 10916 weight 0.10000E+01 volume 0.29960E+01 ppm1 4.296 ppm2 2.209
ASSI {10918}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "8 " and name "HB ")
5.000 5.000 0.000 peak 10918 weight 0.10000E+01 volume -0.13210E+01 ppm1 4.177 ppm2 2.110
ASSI {10919}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "8 " and name "HG13")
2.700 2.700 0.000 peak 10919 weight 0.10000E+01 volume -0.48960E+01 ppm1 4.182 ppm2 0.952
OR {10919}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "8 " and name "HG21")
OR {10919}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "8 " and name "HG11")
OR {10919}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "8 " and name "HG22")
OR {10919}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "8 " and name "HG12")
OR {10919}
(segid " " and resid "8 " and name "HA ")
(segid " " and resid "8 " and name "HG23")
ASSI {10921}
(segid " " and resid "8 " and name "HB ")
(segid " " and resid "8 " and name "HG23")
2.700 2.700 0.000 peak 10921 weight 0.10000E+01 volume 0.55580E+01 ppm1 2.110 ppm2 0.960
OR {10921}
(segid " " and resid "8 " and name "HB ")
(segid " " and resid "8 " and name "HG11")
OR {10921}
(segid " " and resid "8 " and name "HB ")
(segid " " and resid "8 " and name "HG13")
OR {10921}
(segid " " and resid "8 " and name "HB ")
(segid " " and resid "8 " and name "HG22")
OR {10921}
(segid " " and resid "8 " and name "HB ")
(segid " " and resid "8 " and name "HG21")
OR {10921}
(segid " " and resid "8 " and name "HB ")
(segid " " and resid "8 " and name "HG12")
ASSI {10922}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HB ")
5.000 5.000 0.000 peak 10922 weight 0.10000E+01 volume -0.17370E+01 ppm1 3.898 ppm2 2.283
ASSI {10923}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG12")
3.300 3.300 0.000 peak 10923 weight 0.10000E+01 volume -0.35250E+01 ppm1 3.900 ppm2 1.124
OR {10923}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG22")
OR {10923}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG13")
OR {10923}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG11")
OR {10923}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG21")
OR {10923}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG23")
ASSI {10924}
(segid " " and resid "10 " and name "HG12")
(segid " " and resid "10 " and name "HA ")
3.300 3.300 0.000 peak 10924 weight 0.10000E+01 volume -0.24870E+01 ppm1 1.137 ppm2 3.899
OR {10924}
(segid " " and resid "10 " and name "HG13")
(segid " " and resid "10 " and name "HA ")
OR {10924}
(segid " " and resid "10 " and name "HG11")
(segid " " and resid "10 " and name "HA ")
ASSI {10925}
(segid " " and resid "10 " and name "HG13")
(segid " " and resid "10 " and name "HB ")
3.300 3.300 0.000 peak 10925 weight 0.10000E+01 volume -0.38630E+01 ppm1 1.139 ppm2 2.287
OR {10925}
(segid " " and resid "10 " and name "HG11")
(segid " " and resid "10 " and name "HB ")
OR {10925}
(segid " " and resid "10 " and name "HG12")
(segid " " and resid "10 " and name "HB ")
ASSI {10264}
(segid " " and resid "10 " and name "HG12")
(segid " " and resid "11 " and name "HA1 ")
5.000 5.000 0.000 peak 10264 weight 0.10000E+01 volume -0.85900E+00 ppm1 1.137 ppm2 3.783
OR {10264}
(segid " " and resid "10 " and name "HG11")
(segid " " and resid "11 " and name "HA1 ")
OR {10264}
(segid " " and resid "10 " and name "HG13")
(segid " " and resid "11 " and name "HA1 ")
ASSI {10216}
(segid " " and resid "11 " and name "HA2 ")
(segid " " and resid "10 " and name "HG12")
6.000 6.000 0.000 peak 10216 weight 0.10000E+01 volume 0.20600E+00 ppm1 3.557 ppm2 1.128
OR {10216}
(segid " " and resid "11 " and name "HA2 ")
(segid " " and resid "10 " and name "HG11")
OR {10216}
(segid " " and resid "11 " and name "HA2 ")
(segid " " and resid "10 " and name "HG13")
ASSI {10218}
(segid " " and resid "11 " and name "HA1 ")
(segid " " and resid "39 " and name "HB2 ")
5.000 5.000 0.000 peak 10218 weight 0.10000E+01 volume 0.86700E+00 ppm1 3.792 ppm2 1.401
OR {10218}
(segid " " and resid "11 " and name "HA1 ")
(segid " " and resid "39 " and name "HB3 ")
OR {10218}
(segid " " and resid "11 " and name "HA1 ")
(segid " " and resid "39 " and name "HB1 ")
ASSI {10215}
(segid " " and resid "11 " and name "HA2 ")
(segid " " and resid "39 " and name "HB2 ")
5.000 5.000 0.000 peak 10215 weight 0.10000E+01 volume 0.64300E+00 ppm1 3.558 ppm2 1.398
OR {10215}
(segid " " and resid "11 " and name "HA2 ")
(segid " " and resid "39 " and name "HB3 ")
OR {10215}
(segid " " and resid "11 " and name "HA2 ")
(segid " " and resid "39 " and name "HB1 ")
ASSI {10926}
(segid " " and resid "12 " and name "HB2 ")
(segid " " and resid "12 " and name "HB1 ")
5.000 5.000 0.000 peak 10926 weight 0.10000E+01 volume 0.14410E+01 ppm1 2.603 ppm2 3.027
ASSI {10928}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "14 " and name "HB1 ")
5.000 5.000 0.000 peak 10928 weight 0.10000E+01 volume 0.18200E+01 ppm1 4.077 ppm2 2.091
ASSI {10929}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "14 " and name "HD22")
2.700 2.700 0.000 peak 10929 weight 0.10000E+01 volume 0.43670E+01 ppm1 4.076 ppm2 0.936
OR {10929}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "14 " and name "HD23")
OR {10929}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "14 " and name "HD21")
ASSI {10930}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "14 " and name "HG ")
5.000 5.000 0.000 peak 10930 weight 0.10000E+01 volume 0.15900E+01 ppm1 4.074 ppm2 1.532
ASSI {10933}
(segid " " and resid "17 " and name "HA ")
(segid " " and resid "17 " and name "HB3 ")
2.700 2.700 0.000 peak 10933 weight 0.10000E+01 volume 0.96880E+01 ppm1 4.136 ppm2 1.507
OR {10933}
(segid " " and resid "17 " and name "HA ")
(segid " " and resid "17 " and name "HB2 ")
OR {10933}
(segid " " and resid "17 " and name "HA ")
(segid " " and resid "17 " and name "HB1 ")
ASSI {10935}
(segid " " and resid "18 " and name "HA ")
(segid " " and resid "51 " and name "HA ")
5.000 5.000 0.000 peak 10935 weight 0.10000E+01 volume 0.79000E+00 ppm1 3.835 ppm2 3.424
ASSI {10936}
(segid " " and resid "18 " and name "HB3 ")
(segid " " and resid "18 " and name "HA ")
2.700 2.700 0.000 peak 10936 weight 0.10000E+01 volume -0.48520E+01 ppm1 1.326 ppm2 3.835
OR {10936}
(segid " " and resid "18 " and name "HB1 ")
(segid " " and resid "18 " and name "HA ")
OR {10936}
(segid " " and resid "18 " and name "HB2 ")
(segid " " and resid "18 " and name "HA ")
ASSI {10937}
(segid " " and resid "18 " and name "HB1 ")
(segid " " and resid "51 " and name "HA ")
5.000 5.000 0.000 peak 10937 weight 0.10000E+01 volume -0.13870E+01 ppm1 1.326 ppm2 3.434
OR {10937}
(segid " " and resid "18 " and name "HB2 ")
(segid " " and resid "51 " and name "HA ")
OR {10937}
(segid " " and resid "18 " and name "HB3 ")
(segid " " and resid "51 " and name "HA ")
ASSI {10938}
(segid " " and resid "19 " and name "HA ")
(segid " " and resid "51 " and name "HA ")
5.000 5.000 0.000 peak 10938 weight 0.10000E+01 volume 0.13950E+01 ppm1 4.291 ppm2 3.438
ASSI {10939}
(segid " " and resid "19 " and name "HB1 ")
(segid " " and resid "51 " and name "HA ")
5.000 5.000 0.000 peak 10939 weight 0.10000E+01 volume -0.87700E+00 ppm1 1.547 ppm2 3.450
OR {10939}
(segid " " and resid "19 " and name "HB2 ")
(segid " " and resid "51 " and name "HA ")
OR {10939}
(segid " " and resid "19 " and name "HB3 ")
(segid " " and resid "51 " and name "HA ")
ASSI {10940}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "20 " and name "HD1 ")
6.000 6.000 0.000 peak 10940 weight 0.10000E+01 volume 0.24700E+00 ppm1 4.524 ppm2 3.349
ASSI {10941}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "20 " and name "HD2 ")
5.000 5.000 0.000 peak 10941 weight 0.10000E+01 volume 0.53300E+00 ppm1 4.516 ppm2 3.237
ASSI {10943}
(segid " " and resid "21 " and name "HA1 ")
(segid " " and resid "21 " and name "HA2 ")
3.300 3.300 0.000 peak 10943 weight 0.10000E+01 volume 0.21450E+01 ppm1 4.286 ppm2 3.566
ASSI {10944}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "22 " and name "HB1 ")
5.000 5.000 0.000 peak 10944 weight 0.10000E+01 volume 0.11810E+01 ppm1 4.725 ppm2 3.062
ASSI {10945}
(segid " " and resid "22 " and name "HA ")
(segid " " and resid "22 " and name "HB2 ")
5.000 5.000 0.000 peak 10945 weight 0.10000E+01 volume 0.14580E+01 ppm1 4.718 ppm2 2.448
ASSI {10954}
(segid " " and resid "22 " and name "HB2 ")
(segid " " and resid "22 " and name "HB1 ")
5.000 5.000 0.000 peak 10954 weight 0.10000E+01 volume 0.13550E+01 ppm1 2.436 ppm2 3.077
ASSI {10958}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "23 " and name "HB ")
5.000 5.000 0.000 peak 10958 weight 0.10000E+01 volume -0.11300E+01 ppm1 3.381 ppm2 1.968
ASSI {10962}
(segid " " and resid "23 " and name "HG13")
(segid " " and resid "23 " and name "HB ")
2.700 2.700 0.000 peak 10962 weight 0.10000E+01 volume -0.80080E+01 ppm1 0.933 ppm2 1.967
OR {10962}
(segid " " and resid "23 " and name "HG11")
(segid " " and resid "23 " and name "HB ")
OR {10962}
(segid " " and resid "23 " and name "HG12")
(segid " " and resid "23 " and name "HB ")
ASSI {10963}
(segid " " and resid "23 " and name "HG23")
(segid " " and resid "23 " and name "HA ")
5.000 5.000 0.000 peak 10963 weight 0.10000E+01 volume -0.13930E+01 ppm1 0.913 ppm2 3.386
OR {10963}
(segid " " and resid "23 " and name "HG21")
(segid " " and resid "23 " and name "HA ")
OR {10963}
(segid " " and resid "23 " and name "HG22")
(segid " " and resid "23 " and name "HA ")
ASSI {10964}
(segid " " and resid "23 " and name "HG23")
(segid " " and resid "23 " and name "HB ")
3.300 3.300 0.000 peak 10964 weight 0.10000E+01 volume -0.37270E+01 ppm1 0.918 ppm2 1.967
OR {10964}
(segid " " and resid "23 " and name "HG22")
(segid " " and resid "23 " and name "HB ")
OR {10964}
(segid " " and resid "23 " and name "HG21")
(segid " " and resid "23 " and name "HB ")
ASSI {10970}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "25 " and name "HB1 ")
3.300 3.300 0.000 peak 10970 weight 0.10000E+01 volume 0.23760E+01 ppm1 4.633 ppm2 1.963
ASSI {10971}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "25 " and name "HB2 ")
5.000 5.000 0.000 peak 10971 weight 0.10000E+01 volume 0.12990E+01 ppm1 4.631 ppm2 1.609
ASSI {10972}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "25 " and name "HG1 ")
5.000 5.000 0.000 peak 10972 weight 0.10000E+01 volume 0.56300E+00 ppm1 4.635 ppm2 2.345
ASSI {10973}
(segid " " and resid "25 " and name "HA ")
(segid " " and resid "25 " and name "HG2 ")
5.000 5.000 0.000 peak 10973 weight 0.10000E+01 volume 0.98100E+00 ppm1 4.634 ppm2 2.145
ASSI {10979}
(segid " " and resid "26 " and name "HA ")
(segid " " and resid "26 " and name "HB ")
5.000 5.000 0.000 peak 10979 weight 0.10000E+01 volume -0.79300E+00 ppm1 3.385 ppm2 2.167
ASSI {10981}
(segid " " and resid "26 " and name "HG12")
(segid " " and resid "26 " and name "HB ")
2.700 2.700 0.000 peak 10981 weight 0.10000E+01 volume -0.57680E+01 ppm1 0.926 ppm2 2.180
OR {10981}
(segid " " and resid "26 " and name "HG11")
(segid " " and resid "26 " and name "HB ")
OR {10981}
(segid " " and resid "26 " and name "HG13")
(segid " " and resid "26 " and name "HB ")
ASSI {10982}
(segid " " and resid "26 " and name "HG23")
(segid " " and resid "26 " and name "HA ")
3.300 3.300 0.000 peak 10982 weight 0.10000E+01 volume -0.25230E+01 ppm1 0.819 ppm2 3.381
OR {10982}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "26 " and name "HA ")
OR {10982}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "26 " and name "HA ")
ASSI {10983}
(segid " " and resid "26 " and name "HG22")
(segid " " and resid "26 " and name "HB ")
3.300 3.300 0.000 peak 10983 weight 0.10000E+01 volume -0.30140E+01 ppm1 0.819 ppm2 2.180
OR {10983}
(segid " " and resid "26 " and name "HG21")
(segid " " and resid "26 " and name "HB ")
OR {10983}
(segid " " and resid "26 " and name "HG23")
(segid " " and resid "26 " and name "HB ")
ASSI {10984}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "27 " and name "HD2 ")
5.000 5.000 0.000 peak 10984 weight 0.10000E+01 volume -0.38700E+00 ppm1 3.675 ppm2 3.107
OR {10984}
(segid " " and resid "27 " and name "HA ")
(segid " " and resid "27 " and name "HD1 ")
ASSI {10986}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "27 " and name "HA ")
5.000 5.000 0.000 peak 10986 weight 0.10000E+01 volume -0.12790E+01 ppm1 1.892 ppm2 3.661
OR {10986}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "27 " and name "HA ")
ASSI {10987}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "27 " and name "HD2 ")
3.300 3.300 0.000 peak 10987 weight 0.10000E+01 volume -0.24110E+01 ppm1 1.886 ppm2 3.114
OR {10987}
(segid " " and resid "27 " and name "HB1 ")
(segid " " and resid "27 " and name "HD1 ")
OR {10987}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "27 " and name "HD1 ")
OR {10987}
(segid " " and resid "27 " and name "HB2 ")
(segid " " and resid "27 " and name "HD2 ")
ASSI {10993}
(segid " " and resid "27 " and name "HG1 ")
(segid " " and resid "27 " and name "HA ")
5.000 5.000 0.000 peak 10993 weight 0.10000E+01 volume -0.89700E+00 ppm1 1.691 ppm2 3.678
ASSI {10994}
(segid " " and resid "27 " and name "HG2 ")
(segid " " and resid "27 " and name "HA ")
5.000 5.000 0.000 peak 10994 weight 0.10000E+01 volume -0.55100E+00 ppm1 1.486 ppm2 3.675
ASSI {10995}
(segid " " and resid "27 " and name "HG2 ")
(segid " " and resid "27 " and name "HB1 ")
3.300 3.300 0.000 peak 10995 weight 0.10000E+01 volume -0.21710E+01 ppm1 1.486 ppm2 1.886
OR {10995}
(segid " " and resid "27 " and name "HG2 ")
(segid " " and resid "27 " and name "HB2 ")
ASSI {10996}
(segid " " and resid "27 " and name "HG1 ")
(segid " " and resid "27 " and name "HD2 ")
3.300 3.300 0.000 peak 10996 weight 0.10000E+01 volume -0.24660E+01 ppm1 1.700 ppm2 3.114
OR {10996}
(segid " " and resid "27 " and name "HG1 ")
(segid " " and resid "27 " and name "HD1 ")
ASSI {10997}
(segid " " and resid "27 " and name "HG2 ")
(segid " " and resid "27 " and name "HD1 ")
5.000 5.000 0.000 peak 10997 weight 0.10000E+01 volume -0.12330E+01 ppm1 1.486 ppm2 3.087
OR {10997}
(segid " " and resid "27 " and name "HG2 ")
(segid " " and resid "27 " and name "HD2 ")
ASSI {10998}
(segid " " and resid "27 " and name "HG2 ")
(segid " " and resid "27 " and name "HG1 ")
3.300 3.300 0.000 peak 10998 weight 0.10000E+01 volume -0.26940E+01 ppm1 1.496 ppm2 1.711
ASSI {11001}
(segid " " and resid "28 " and name "HA ")
(segid " " and resid "28 " and name "HD2 ")
5.000 5.000 0.000 peak 11001 weight 0.10000E+01 volume -0.31200E+00 ppm1 3.995 ppm2 3.034
ASSI {11002}
(segid " " and resid "28 " and name "HB1 ")
(segid " " and resid "28 " and name "HA ")
3.300 3.300 0.000 peak 11002 weight 0.10000E+01 volume -0.22560E+01 ppm1 1.964 ppm2 3.992
OR {11002}
(segid " " and resid "28 " and name "HB2 ")
(segid " " and resid "28 " and name "HA ")
ASSI {11003}
(segid " " and resid "28 " and name "HD1 ")
(segid " " and resid "28 " and name "HA ")
6.000 6.000 0.000 peak 11003 weight 0.10000E+01 volume 0.14300E+00 ppm1 3.426 ppm2 3.994
ASSI {11005}
(segid " " and resid "28 " and name "HD1 ")
(segid " " and resid "28 " and name "HB2 ")
5.000 5.000 0.000 peak 11005 weight 0.10000E+01 volume 0.77300E+00 ppm1 3.417 ppm2 1.964
OR {11005}
(segid " " and resid "28 " and name "HD1 ")
(segid " " and resid "28 " and name "HB1 ")
ASSI {11006}
(segid " " and resid "28 " and name "HD2 ")
(segid " " and resid "28 " and name "HB1 ")
5.000 5.000 0.000 peak 11006 weight 0.10000E+01 volume 0.10090E+01 ppm1 3.023 ppm2 1.969
OR {11006}
(segid " " and resid "28 " and name "HD2 ")
(segid " " and resid "28 " and name "HB2 ")
ASSI {11007}
(segid " " and resid "28 " and name "HD2 ")
(segid " " and resid "28 " and name "HD1 ")
3.300 3.300 0.000 peak 11007 weight 0.10000E+01 volume 0.20250E+01 ppm1 3.024 ppm2 3.414
ASSI {11009}
(segid " " and resid "28 " and name "HD1 ")
(segid " " and resid "28 " and name "HG1 ")
5.000 5.000 0.000 peak 11009 weight 0.10000E+01 volume 0.87100E+00 ppm1 3.424 ppm2 1.673
ASSI {11010}
(segid " " and resid "28 " and name "HD2 ")
(segid " " and resid "28 " and name "HG1 ")
5.000 5.000 0.000 peak 11010 weight 0.10000E+01 volume 0.10860E+01 ppm1 3.022 ppm2 1.673
ASSI {11011}
(segid " " and resid "28 " and name "HD1 ")
(segid " " and resid "28 " and name "HG2 ")
5.000 5.000 0.000 peak 11011 weight 0.10000E+01 volume 0.69700E+00 ppm1 3.424 ppm2 1.535
ASSI {11014}
(segid " " and resid "28 " and name "HG2 ")
(segid " " and resid "28 " and name "HD2 ")
5.000 5.000 0.000 peak 11014 weight 0.10000E+01 volume -0.47700E+00 ppm1 1.530 ppm2 3.011
ASSI {11015}
(segid " " and resid "29 " and name "HB1 ")
(segid " " and resid "29 " and name "HA ")
5.000 5.000 0.000 peak 11015 weight 0.10000E+01 volume 0.60200E+00 ppm1 1.992 ppm2 3.895
ASSI {11016}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HB1 ")
5.000 5.000 0.000 peak 11016 weight 0.10000E+01 volume 0.12730E+01 ppm1 4.230 ppm2 1.594
ASSI {11017}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HB2 ")
3.300 3.300 0.000 peak 11017 weight 0.10000E+01 volume 0.23870E+01 ppm1 4.228 ppm2 0.990
ASSI {11018}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HD12")
5.000 5.000 0.000 peak 11018 weight 0.10000E+01 volume 0.16630E+01 ppm1 4.229 ppm2 0.670
OR {11018}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HD13")
OR {11018}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HD11")
ASSI {11019}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HD21")
3.300 3.300 0.000 peak 11019 weight 0.10000E+01 volume 0.29250E+01 ppm1 4.228 ppm2 0.765
OR {11019}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HD23")
OR {11019}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HD22")
ASSI {11020}
(segid " " and resid "30 " and name "HA ")
(segid " " and resid "30 " and name "HG ")
5.000 5.000 0.000 peak 11020 weight 0.10000E+01 volume 0.13660E+01 ppm1 4.224 ppm2 1.969
ASSI {11023}
(segid " " and resid "30 " and name "HB2 ")
(segid " " and resid "30 " and name "HB1 ")
5.000 5.000 0.000 peak 11023 weight 0.10000E+01 volume 0.86600E+00 ppm1 1.002 ppm2 1.577
ASSI {11024}
(segid " " and resid "30 " and name "HB1 ")
(segid " " and resid "30 " and name "HD13")
5.000 5.000 0.000 peak 11024 weight 0.10000E+01 volume 0.10790E+01 ppm1 1.582 ppm2 0.669
OR {11024}
(segid " " and resid "30 " and name "HB1 ")
(segid " " and resid "30 " and name "HD11")
OR {11024}
(segid " " and resid "30 " and name "HB1 ")
(segid " " and resid "30 " and name "HD12")
ASSI {11025}
(segid " " and resid "30 " and name "HB2 ")
(segid " " and resid "30 " and name "HD13")
5.000 5.000 0.000 peak 11025 weight 0.10000E+01 volume 0.54400E+00 ppm1 1.012 ppm2 0.659
OR {11025}
(segid " " and resid "30 " and name "HB2 ")
(segid " " and resid "30 " and name "HD12")
OR {11025}
(segid " " and resid "30 " and name "HB2 ")
(segid " " and resid "30 " and name "HD11")
ASSI {11027}
(segid " " and resid "30 " and name "HD13")
(segid " " and resid "30 " and name "HG ")
3.300 3.300 0.000 peak 11027 weight 0.10000E+01 volume -0.29720E+01 ppm1 0.659 ppm2 1.967
OR {11027}
(segid " " and resid "30 " and name "HD12")
(segid " " and resid "30 " and name "HG ")
OR {11027}
(segid " " and resid "30 " and name "HD11")
(segid " " and resid "30 " and name "HG ")
ASSI {11029}
(segid " " and resid "30 " and name "HD21")
(segid " " and resid "30 " and name "HG ")
2.700 2.700 0.000 peak 11029 weight 0.10000E+01 volume -0.78250E+01 ppm1 0.766 ppm2 1.967
OR {11029}
(segid " " and resid "30 " and name "HD22")
(segid " " and resid "30 " and name "HG ")
OR {11029}
(segid " " and resid "30 " and name "HD23")
(segid " " and resid "30 " and name "HG ")
ASSI {11031}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "31 " and name "HB1 ")
3.300 3.300 0.000 peak 11031 weight 0.10000E+01 volume 0.23590E+01 ppm1 4.648 ppm2 3.129
ASSI {11032}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "31 " and name "HB2 ")
3.300 3.300 0.000 peak 11032 weight 0.10000E+01 volume 0.21740E+01 ppm1 4.645 ppm2 3.045
ASSI {11033}
(segid " " and resid "31 " and name "HA ")
(segid " " and resid "31 " and name "HD2 ")
6.000 6.000 0.000 peak 11033 weight 0.10000E+01 volume 0.29400E+00 ppm1 4.652 ppm2 6.954
ASSI {11036}
(segid " " and resid "31 " and name "HB1 ")
(segid " " and resid "31 " and name "HD2 ")
6.000 6.000 0.000 peak 11036 weight 0.10000E+01 volume -0.17200E+00 ppm1 3.143 ppm2 6.946
ASSI {11037}
(segid " " and resid "31 " and name "HB2 ")
(segid " " and resid "31 " and name "HD2 ")
6.000 6.000 0.000 peak 11037 weight 0.10000E+01 volume -0.17100E+00 ppm1 3.085 ppm2 6.949
ASSI {11040}
(segid " " and resid "32 " and name "HA ")
(segid " " and resid "32 " and name "HB1 ")
5.000 5.000 0.000 peak 11040 weight 0.10000E+01 volume 0.13840E+01 ppm1 4.670 ppm2 2.206
ASSI {11041}
(segid " " and resid "32 " and name "HA ")
(segid " " and resid "32 " and name "HB2 ")
5.000 5.000 0.000 peak 11041 weight 0.10000E+01 volume 0.13670E+01 ppm1 4.669 ppm2 2.083
ASSI {11042}
(segid " " and resid "32 " and name "HA ")
(segid " " and resid "32 " and name "HD1 ")
5.000 5.000 0.000 peak 11042 weight 0.10000E+01 volume 0.84400E+00 ppm1 4.667 ppm2 3.250
OR {11042}
(segid " " and resid "32 " and name "HA ")
(segid " " and resid "32 " and name "HD2 ")
ASSI {11043}
(segid " " and resid "32 " and name "HA ")
(segid " " and resid "32 " and name "HG1 ")
5.000 5.000 0.000 peak 11043 weight 0.10000E+01 volume 0.50000E+00 ppm1 4.666 ppm2 1.830
ASSI {11044}
(segid " " and resid "32 " and name "HA ")
(segid " " and resid "32 " and name "HG2 ")
5.000 5.000 0.000 peak 11044 weight 0.10000E+01 volume 0.87200E+00 ppm1 4.672 ppm2 1.710
ASSI {11047}
(segid " " and resid "32 " and name "HB1 ")
(segid " " and resid "32 " and name "HD1 ")
5.000 5.000 0.000 peak 11047 weight 0.10000E+01 volume -0.62900E+00 ppm1 2.207 ppm2 3.248
OR {11047}
(segid " " and resid "32 " and name "HB1 ")
(segid " " and resid "32 " and name "HD2 ")
ASSI {11048}
(segid " " and resid "32 " and name "HB2 ")
(segid " " and resid "32 " and name "HD1 ")
3.300 3.300 0.000 peak 11048 weight 0.10000E+01 volume -0.27970E+01 ppm1 2.073 ppm2 3.248
OR {11048}
(segid " " and resid "32 " and name "HB2 ")
(segid " " and resid "32 " and name "HD2 ")
ASSI {11052}
(segid " " and resid "32 " and name "HD2 ")
(segid " " and resid "32 " and name "HG1 ")
2.700 2.700 0.000 peak 11052 weight 0.10000E+01 volume 0.65240E+01 ppm1 3.265 ppm2 1.822
OR {11052}
(segid " " and resid "32 " and name "HD1 ")
(segid " " and resid "32 " and name "HG1 ")
ASSI {11053}
(segid " " and resid "32 " and name "HD1 ")
(segid " " and resid "32 " and name "HG2 ")
2.700 2.700 0.000 peak 11053 weight 0.10000E+01 volume 0.53450E+01 ppm1 3.257 ppm2 1.723
OR {11053}
(segid " " and resid "32 " and name "HD2 ")
(segid " " and resid "32 " and name "HG2 ")
ASSI {11056}
(segid " " and resid "32 " and name "HG1 ")
(segid " " and resid "32 " and name "HB2 ")
2.700 2.700 0.000 peak 11056 weight 0.10000E+01 volume -0.47340E+01 ppm1 1.833 ppm2 2.073
ASSI {11058}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "33 " and name "HB1 ")
5.000 5.000 0.000 peak 11058 weight 0.10000E+01 volume 0.17890E+01 ppm1 4.465 ppm2 2.415
ASSI {11059}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "33 " and name "HG2 ")
5.000 5.000 0.000 peak 11059 weight 0.10000E+01 volume 0.18850E+01 ppm1 4.464 ppm2 2.205
ASSI {11061}
(segid " " and resid "33 " and name "HG1 ")
(segid " " and resid "33 " and name "HA ")
5.000 5.000 0.000 peak 11061 weight 0.10000E+01 volume 0.79100E+00 ppm1 2.291 ppm2 4.456
ASSI {11063}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HB1 ")
5.000 5.000 0.000 peak 11063 weight 0.10000E+01 volume 0.16070E+01 ppm1 4.023 ppm2 1.983
ASSI {11064}
(segid " " and resid "34 " and name "HA ")
(segid " " and resid "34 " and name "HB2 ")
3.300 3.300 0.000 peak 11064 weight 0.10000E+01 volume 0.22650E+01 ppm1 4.025 ppm2 1.621
ASSI {11068}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HB1 ")
5.000 5.000 0.000 peak 11068 weight 0.10000E+01 volume 0.19300E+01 ppm1 1.625 ppm2 1.977
ASSI {11071}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD13")
5.000 5.000 0.000 peak 11071 weight 0.10000E+01 volume 0.14850E+01 ppm1 1.630 ppm2 0.924
OR {11071}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD12")
OR {11071}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD11")
ASSI {11072}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD23")
5.000 5.000 0.000 peak 11072 weight 0.10000E+01 volume 0.12010E+01 ppm1 1.628 ppm2 0.852
OR {11072}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD22")
OR {11072}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HD21")
ASSI {11073}
(segid " " and resid "34 " and name "HB1 ")
(segid " " and resid "34 " and name "HG ")
5.000 5.000 0.000 peak 11073 weight 0.10000E+01 volume 0.94300E+00 ppm1 1.989 ppm2 1.399
ASSI {11074}
(segid " " and resid "34 " and name "HB2 ")
(segid " " and resid "34 " and name "HG ")
5.000 5.000 0.000 peak 11074 weight 0.10000E+01 volume 0.91600E+00 ppm1 1.625 ppm2 1.386
ASSI {11075}
(segid " " and resid "34 " and name "HD12")
(segid " " and resid "34 " and name "HB1 ")
2.700 2.700 0.000 peak 11075 weight 0.10000E+01 volume -0.43220E+01 ppm1 0.923 ppm2 1.988
OR {11075}
(segid " " and resid "34 " and name "HD11")
(segid " " and resid "34 " and name "HB1 ")
OR {11075}
(segid " " and resid "34 " and name "HD13")
(segid " " and resid "34 " and name "HB1 ")
ASSI {11076}
(segid " " and resid "34 " and name "HD12")
(segid " " and resid "34 " and name "HG ")
2.700 2.700 0.000 peak 11076 weight 0.10000E+01 volume -0.67360E+01 ppm1 0.926 ppm2 1.392
OR {11076}
(segid " " and resid "34 " and name "HD13")
(segid " " and resid "34 " and name "HG ")
OR {11076}
(segid " " and resid "34 " and name "HD11")
(segid " " and resid "34 " and name "HG ")
ASSI {11077}
(segid " " and resid "34 " and name "HD22")
(segid " " and resid "34 " and name "HA ")
2.700 2.700 0.000 peak 11077 weight 0.10000E+01 volume -0.49440E+01 ppm1 0.846 ppm2 4.021
OR {11077}
(segid " " and resid "34 " and name "HD21")
(segid " " and resid "34 " and name "HA ")
OR {11077}
(segid " " and resid "34 " and name "HD23")
(segid " " and resid "34 " and name "HA ")
ASSI {11078}
(segid " " and resid "34 " and name "HD21")
(segid " " and resid "34 " and name "HG ")
2.700 2.700 0.000 peak 11078 weight 0.10000E+01 volume -0.59080E+01 ppm1 0.846 ppm2 1.379
OR {11078}
(segid " " and resid "34 " and name "HD22")
(segid " " and resid "34 " and name "HG ")
OR {11078}
(segid " " and resid "34 " and name "HD23")
(segid " " and resid "34 " and name "HG ")
ASSI {11079}
(segid " " and resid "34 " and name "HG ")
(segid " " and resid "34 " and name "HA ")
5.000 5.000 0.000 peak 11079 weight 0.10000E+01 volume -0.64100E+00 ppm1 1.379 ppm2 4.021
ASSI {11083}
(segid " " and resid "35 " and name "HA ")
(segid " " and resid "35 " and name "HB ")
5.000 5.000 0.000 peak 11083 weight 0.10000E+01 volume -0.74900E+00 ppm1 3.794 ppm2 1.597
ASSI {11085}
(segid " " and resid "35 " and name "HB ")
(segid " " and resid "35 " and name "HG11")
3.300 3.300 0.000 peak 11085 weight 0.10000E+01 volume -0.38110E+01 ppm1 1.593 ppm2 0.952
OR {11085}
(segid " " and resid "35 " and name "HB ")
(segid " " and resid "35 " and name "HG22")
OR {11085}
(segid " " and resid "35 " and name "HB ")
(segid " " and resid "35 " and name "HG12")
OR {11085}
(segid " " and resid "35 " and name "HB ")
(segid " " and resid "35 " and name "HG21")
OR {11085}
(segid " " and resid "35 " and name "HB ")
(segid " " and resid "35 " and name "HG13")
OR {11085}
(segid " " and resid "35 " and name "HB ")
(segid " " and resid "35 " and name "HG23")
ASSI {11086}
(segid " " and resid "35 " and name "HG22")
(segid " " and resid "35 " and name "HB ")
2.700 2.700 0.000 peak 11086 weight 0.10000E+01 volume -0.43200E+01 ppm1 0.926 ppm2 1.593
OR {11086}
(segid " " and resid "35 " and name "HG21")
(segid " " and resid "35 " and name "HB ")
OR {11086}
(segid " " and resid "35 " and name "HG23")
(segid " " and resid "35 " and name "HB ")
ASSI {11087}
(segid " " and resid "36 " and name "HA ")
(segid " " and resid "36 " and name "HB1 ")
5.000 5.000 0.000 peak 11087 weight 0.10000E+01 volume 0.11280E+01 ppm1 4.379 ppm2 3.203
ASSI {11088}
(segid " " and resid "36 " and name "HA ")
(segid " " and resid "36 " and name "HB2 ")
5.000 5.000 0.000 peak 11088 weight 0.10000E+01 volume 0.15040E+01 ppm1 4.381 ppm2 2.881
ASSI {11089}
(segid " " and resid "36 " and name "HA ")
(segid " " and resid "37 " and name "HD1 ")
5.000 5.000 0.000 peak 11089 weight 0.10000E+01 volume 0.15980E+01 ppm1 4.380 ppm2 3.283
ASSI {11090}
(segid " " and resid "36 " and name "HA ")
(segid " " and resid "37 " and name "HD2 ")
5.000 5.000 0.000 peak 11090 weight 0.10000E+01 volume 0.16240E+01 ppm1 4.379 ppm2 2.546
ASSI {11091}
(segid " " and resid "36 " and name "HA ")
(segid " " and resid "37 " and name "HG1 ")
5.000 5.000 0.000 peak 11091 weight 0.10000E+01 volume 0.91500E+00 ppm1 4.378 ppm2 1.682
ASSI {11092}
(segid " " and resid "36 " and name "HA ")
(segid " " and resid "37 " and name "HG2 ")
5.000 5.000 0.000 peak 11092 weight 0.10000E+01 volume 0.52200E+00 ppm1 4.377 ppm2 1.381
ASSI {11095}
(segid " " and resid "36 " and name "HB2 ")
(segid " " and resid "36 " and name "HB1 ")
5.000 5.000 0.000 peak 11095 weight 0.10000E+01 volume -0.15110E+01 ppm1 2.883 ppm2 3.194
ASSI {11097}
(segid " " and resid "36 " and name "HD2 ")
(segid " " and resid "36 " and name "HA ")
6.000 6.000 0.000 peak 11097 weight 0.10000E+01 volume -0.10000E+00 ppm1 7.184 ppm2 4.384
ASSI {11098}
(segid " " and resid "36 " and name "HD2 ")
(segid " " and resid "36 " and name "HB1 ")
5.000 5.000 0.000 peak 11098 weight 0.10000E+01 volume -0.36500E+00 ppm1 7.197 ppm2 3.194
ASSI {11099}
(segid " " and resid "36 " and name "HD2 ")
(segid " " and resid "36 " and name "HB2 ")
6.000 6.000 0.000 peak 11099 weight 0.10000E+01 volume -0.21900E+00 ppm1 7.189 ppm2 2.889
ASSI {11100}
(segid " " and resid "36 " and name "HE1 ")
(segid " " and resid "38 " and name "HB1 ")
6.000 6.000 0.000 peak 11100 weight 0.10000E+01 volume -0.14100E+00 ppm1 7.789 ppm2 3.216
ASSI {11101}
(segid " " and resid "36 " and name "HE1 ")
(segid " " and resid "38 " and name "HB2 ")
6.000 6.000 0.000 peak 11101 weight 0.10000E+01 volume -0.24700E+00 ppm1 7.793 ppm2 2.589
ASSI {11102}
(segid " " and resid "37 " and name "HA ")
(segid " " and resid "37 " and name "HB1 ")
5.000 5.000 0.000 peak 11102 weight 0.10000E+01 volume -0.12090E+01 ppm1 4.102 ppm2 1.967
ASSI {11103}
(segid " " and resid "37 " and name "HA ")
(segid " " and resid "37 " and name "HB2 ")
5.000 5.000 0.000 peak 11103 weight 0.10000E+01 volume -0.11210E+01 ppm1 4.102 ppm2 1.691
ASSI {11104}
(segid " " and resid "37 " and name "HA ")
(segid " " and resid "37 " and name "HG2 ")
5.000 5.000 0.000 peak 11104 weight 0.10000E+01 volume -0.44400E+00 ppm1 4.096 ppm2 1.386
ASSI {11107}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "37 " and name "HB1 ")
6.000 6.000 0.000 peak 11107 weight 0.10000E+01 volume 0.14400E+00 ppm1 2.556 ppm2 1.948
ASSI {11108}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "37 " and name "HD1 ")
5.000 5.000 0.000 peak 11108 weight 0.10000E+01 volume 0.91000E+00 ppm1 2.543 ppm2 3.277
ASSI {11110}
(segid " " and resid "37 " and name "HD1 ")
(segid " " and resid "37 " and name "HG1 ")
5.000 5.000 0.000 peak 11110 weight 0.10000E+01 volume 0.57200E+00 ppm1 3.285 ppm2 1.689
ASSI {11111}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "37 " and name "HG1 ")
5.000 5.000 0.000 peak 11111 weight 0.10000E+01 volume 0.46100E+00 ppm1 2.545 ppm2 1.699
ASSI {11113}
(segid " " and resid "37 " and name "HD2 ")
(segid " " and resid "37 " and name "HG2 ")
5.000 5.000 0.000 peak 11113 weight 0.10000E+01 volume 0.31500E+00 ppm1 2.537 ppm2 1.388
ASSI {11114}
(segid " " and resid "37 " and name "HG2 ")
(segid " " and resid "37 " and name "HD1 ")
5.000 5.000 0.000 peak 11114 weight 0.10000E+01 volume -0.57700E+00 ppm1 1.387 ppm2 3.280
ASSI {11117}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "38 " and name "HB1 ")
5.000 5.000 0.000 peak 11117 weight 0.10000E+01 volume 0.57900E+00 ppm1 5.151 ppm2 3.224
ASSI {11118}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "38 " and name "HB2 ")
5.000 5.000 0.000 peak 11118 weight 0.10000E+01 volume 0.42700E+00 ppm1 5.152 ppm2 2.589
ASSI {11120}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "46 " and name "HB ")
5.000 5.000 0.000 peak 11120 weight 0.10000E+01 volume 0.88300E+00 ppm1 5.158 ppm2 4.942
ASSI {11121}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "46 " and name "HG23")
5.000 5.000 0.000 peak 11121 weight 0.10000E+01 volume 0.13200E+01 ppm1 5.165 ppm2 1.197
OR {11121}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "46 " and name "HG21")
OR {11121}
(segid " " and resid "38 " and name "HA ")
(segid " " and resid "46 " and name "HG22")
ASSI {11126}
(segid " " and resid "38 " and name "HB2 ")
(segid " " and resid "38 " and name "HB1 ")
5.000 5.000 0.000 peak 11126 weight 0.10000E+01 volume 0.14440E+01 ppm1 2.600 ppm2 3.215
ASSI {11128}
(segid " " and resid "38 " and name "HB1 ")
(segid " " and resid "46 " and name "HG22")
5.000 5.000 0.000 peak 11128 weight 0.10000E+01 volume 0.30900E+00 ppm1 3.223 ppm2 1.197
OR {11128}
(segid " " and resid "38 " and name "HB1 ")
(segid " " and resid "46 " and name "HG21")
OR {11128}
(segid " " and resid "38 " and name "HB1 ")
(segid " " and resid "46 " and name "HG23")
ASSI {11130}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "39 " and name "HB1 ")
2.700 2.700 0.000 peak 11130 weight 0.10000E+01 volume 0.43160E+01 ppm1 4.046 ppm2 1.400
OR {11130}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "39 " and name "HB2 ")
OR {11130}
(segid " " and resid "39 " and name "HA ")
(segid " " and resid "39 " and name "HB3 ")
ASSI {11132}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HB1 ")
5.000 5.000 0.000 peak 11132 weight 0.10000E+01 volume 0.11820E+01 ppm1 4.368 ppm2 1.773
ASSI {11133}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HB2 ")
5.000 5.000 0.000 peak 11133 weight 0.10000E+01 volume 0.11010E+01 ppm1 4.366 ppm2 1.266
ASSI {11134}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HD13")
5.000 5.000 0.000 peak 11134 weight 0.10000E+01 volume 0.77300E+00 ppm1 4.369 ppm2 0.898
OR {11134}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HD11")
OR {11134}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HD12")
ASSI {11135}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HD23")
3.300 3.300 0.000 peak 11135 weight 0.10000E+01 volume 0.21540E+01 ppm1 4.368 ppm2 0.664
OR {11135}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HD22")
OR {11135}
(segid " " and resid "40 " and name "HA ")
(segid " " and resid "40 " and name "HD21")
ASSI {11138}
(segid " " and resid "40 " and name "HB2 ")
(segid " " and resid "40 " and name "HB1 ")
5.000 5.000 0.000 peak 11138 weight 0.10000E+01 volume 0.16760E+01 ppm1 1.272 ppm2 1.779
ASSI {11140}
(segid " " and resid "40 " and name "HB1 ")
(segid " " and resid "40 " and name "HD12")
5.000 5.000 0.000 peak 11140 weight 0.10000E+01 volume 0.14890E+01 ppm1 1.780 ppm2 0.895
OR {11140}
(segid " " and resid "40 " and name "HB1 ")
(segid " " and resid "40 " and name "HD11")
OR {11140}
(segid " " and resid "40 " and name "HB1 ")
(segid " " and resid "40 " and name "HD13")
ASSI {11141}
(segid " " and resid "40 " and name "HB2 ")
(segid " " and resid "40 " and name "HD11")
5.000 5.000 0.000 peak 11141 weight 0.10000E+01 volume 0.10380E+01 ppm1 1.262 ppm2 0.893
OR {11141}
(segid " " and resid "40 " and name "HB2 ")
(segid " " and resid "40 " and name "HD12")
OR {11141}
(segid " " and resid "40 " and name "HB2 ")
(segid " " and resid "40 " and name "HD13")
ASSI {11142}
(segid " " and resid "40 " and name "HB1 ")
(segid " " and resid "40 " and name "HD21")
5.000 5.000 0.000 peak 11142 weight 0.10000E+01 volume 0.11290E+01 ppm1 1.785 ppm2 0.669
OR {11142}
(segid " " and resid "40 " and name "HB1 ")
(segid " " and resid "40 " and name "HD22")
OR {11142}
(segid " " and resid "40 " and name "HB1 ")
(segid " " and resid "40 " and name "HD23")
ASSI {11143}
(segid " " and resid "40 " and name "HB2 ")
(segid " " and resid "40 " and name "HD23")
5.000 5.000 0.000 peak 11143 weight 0.10000E+01 volume 0.10450E+01 ppm1 1.275 ppm2 0.668
OR {11143}
(segid " " and resid "40 " and name "HB2 ")
(segid " " and resid "40 " and name "HD22")
OR {11143}
(segid " " and resid "40 " and name "HB2 ")
(segid " " and resid "40 " and name "HD21")
ASSI {11145}
(segid " " and resid "40 " and name "HD11")
(segid " " and resid "40 " and name "HD21")
2.700 2.700 0.000 peak 11145 weight 0.10000E+01 volume -0.91600E+01 ppm1 0.898 ppm2 0.666
OR {11145}
(segid " " and resid "40 " and name "HD13")
(segid " " and resid "40 " and name "HD22")
OR {11145}
(segid " " and resid "40 " and name "HD11")
(segid " " and resid "40 " and name "HD22")
OR {11145}
(segid " " and resid "40 " and name "HD13")
(segid " " and resid "40 " and name "HD23")
OR {11145}
(segid " " and resid "40 " and name "HD11")
(segid " " and resid "40 " and name "HD23")
OR {11145}
(segid " " and resid "40 " and name "HD13")
(segid " " and resid "40 " and name "HD21")
OR {11145}
(segid " " and resid "40 " and name "HD12")
(segid " " and resid "40 " and name "HD21")
OR {11145}
(segid " " and resid "40 " and name "HD12")
(segid " " and resid "40 " and name "HD23")
OR {11145}
(segid " " and resid "40 " and name "HD12")
(segid " " and resid "40 " and name "HD22")
ASSI {11146}
(segid " " and resid "40 " and name "HD13")
(segid " " and resid "40 " and name "HG ")
2.700 2.700 0.000 peak 11146 weight 0.10000E+01 volume -0.85120E+01 ppm1 0.899 ppm2 1.780
OR {11146}
(segid " " and resid "40 " and name "HD12")
(segid " " and resid "40 " and name "HG ")
OR {11146}
(segid " " and resid "40 " and name "HD11")
(segid " " and resid "40 " and name "HG ")
ASSI {11149}
(segid " " and resid "40 " and name "HD22")
(segid " " and resid "40 " and name "HG ")
2.700 2.700 0.000 peak 11149 weight 0.10000E+01 volume -0.53150E+01 ppm1 0.659 ppm2 1.780
OR {11149}
(segid " " and resid "40 " and name "HD23")
(segid " " and resid "40 " and name "HG ")
OR {11149}
(segid " " and resid "40 " and name "HD21")
(segid " " and resid "40 " and name "HG ")
ASSI {11151}
(segid " " and resid "41 " and name "HA ")
(segid " " and resid "41 " and name "HB1 ")
5.000 5.000 0.000 peak 11151 weight 0.10000E+01 volume 0.11110E+01 ppm1 4.542 ppm2 3.855
ASSI {11152}
(segid " " and resid "41 " and name "HA ")
(segid " " and resid "41 " and name "HB2 ")
5.000 5.000 0.000 peak 11152 weight 0.10000E+01 volume 0.87300E+00 ppm1 4.544 ppm2 2.817
ASSI {11155}
(segid " " and resid "41 " and name "HB2 ")
(segid " " and resid "41 " and name "HB1 ")
5.000 5.000 0.000 peak 11155 weight 0.10000E+01 volume 0.72800E+00 ppm1 2.817 ppm2 3.868
ASSI {11157}
(segid " " and resid "42 " and name "HA ")
(segid " " and resid "42 " and name "HB2 ")
3.300 3.300 0.000 peak 11157 weight 0.10000E+01 volume 0.28570E+01 ppm1 4.157 ppm2 1.737
ASSI {11158}
(segid " " and resid "42 " and name "HA ")
(segid " " and resid "42 " and name "HD1 ")
5.000 5.000 0.000 peak 11158 weight 0.10000E+01 volume 0.52000E+00 ppm1 4.155 ppm2 2.935
OR {11158}
(segid " " and resid "42 " and name "HA ")
(segid " " and resid "42 " and name "HD2 ")
ASSI {11160}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "42 " and name "HD2 ")
5.000 5.000 0.000 peak 11160 weight 0.10000E+01 volume -0.64300E+00 ppm1 1.967 ppm2 2.927
OR {11160}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "42 " and name "HD1 ")
ASSI {11161}
(segid " " and resid "42 " and name "HB1 ")
(segid " " and resid "42 " and name "HG2 ")
6.000 6.000 0.000 peak 11161 weight 0.10000E+01 volume -0.27700E+00 ppm1 1.967 ppm2 0.259
ASSI {11162}
(segid " " and resid "42 " and name "HB2 ")
(segid " " and resid "42 " and name "HG2 ")
5.000 5.000 0.000 peak 11162 weight 0.10000E+01 volume -0.37200E+00 ppm1 1.745 ppm2 0.275
ASSI {11165}
(segid " " and resid "42 " and name "HD1 ")
(segid " " and resid "42 " and name "HB2 ")
5.000 5.000 0.000 peak 11165 weight 0.10000E+01 volume 0.14370E+01 ppm1 2.937 ppm2 1.737
OR {11165}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "42 " and name "HB2 ")
ASSI {11166}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "42 " and name "HG1 ")
5.000 5.000 0.000 peak 11166 weight 0.10000E+01 volume 0.15340E+01 ppm1 2.936 ppm2 1.277
OR {11166}
(segid " " and resid "42 " and name "HD1 ")
(segid " " and resid "42 " and name "HG1 ")
ASSI {11167}
(segid " " and resid "42 " and name "HD1 ")
(segid " " and resid "42 " and name "HG2 ")
5.000 5.000 0.000 peak 11167 weight 0.10000E+01 volume 0.14000E+01 ppm1 2.933 ppm2 0.262
OR {11167}
(segid " " and resid "42 " and name "HD2 ")
(segid " " and resid "42 " and name "HG2 ")
ASSI {11168}
(segid " " and resid "42 " and name "HG1 ")
(segid " " and resid "42 " and name "HA ")
6.000 6.000 0.000 peak 11168 weight 0.10000E+01 volume -0.25700E+00 ppm1 1.266 ppm2 4.165
ASSI {11169}
(segid " " and resid "42 " and name "HG1 ")
(segid " " and resid "42 " and name "HB1 ")
5.000 5.000 0.000 peak 11169 weight 0.10000E+01 volume -0.48000E+00 ppm1 1.273 ppm2 1.967
ASSI {11171}
(segid " " and resid "42 " and name "HG1 ")
(segid " " and resid "42 " and name "HB2 ")
5.000 5.000 0.000 peak 11171 weight 0.10000E+01 volume -0.58500E+00 ppm1 1.276 ppm2 1.737
ASSI {11174}
(segid " " and resid "42 " and name "HG2 ")
(segid " " and resid "42 " and name "HG1 ")
5.000 5.000 0.000 peak 11174 weight 0.10000E+01 volume -0.98800E+00 ppm1 0.269 ppm2 1.283
ASSI {11176}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "43 " and name "HB1 ")
5.000 5.000 0.000 peak 11176 weight 0.10000E+01 volume 0.98200E+00 ppm1 4.849 ppm2 3.549
ASSI {11177}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "43 " and name "HB2 ")
5.000 5.000 0.000 peak 11177 weight 0.10000E+01 volume 0.70400E+00 ppm1 4.846 ppm2 2.799
ASSI {11178}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "43 " and name "HD2 ")
5.000 5.000 0.000 peak 11178 weight 0.10000E+01 volume 0.77500E+00 ppm1 4.847 ppm2 7.213
OR {11178}
(segid " " and resid "43 " and name "HA ")
(segid " " and resid "43 " and name "HD1 ")
ASSI {11181}
(segid " " and resid "43 " and name "HB2 ")
(segid " " and resid "43 " and name "HB1 ")
5.000 5.000 0.000 peak 11181 weight 0.10000E+01 volume 0.83000E+00 ppm1 2.803 ppm2 3.545
ASSI {11183}
(segid " " and resid "43 " and name "HB1 ")
(segid " " and resid "43 " and name "HD2 ")
6.000 6.000 0.000 peak 11183 weight 0.10000E+01 volume 0.17500E+00 ppm1 3.547 ppm2 7.213
OR {11183}
(segid " " and resid "43 " and name "HB1 ")
(segid " " and resid "43 " and name "HD1 ")
ASSI {11184}
(segid " " and resid "43 " and name "HB2 ")
(segid " " and resid "43 " and name "HD1 ")
5.000 5.000 0.000 peak 11184 weight 0.10000E+01 volume 0.48600E+00 ppm1 2.798 ppm2 7.203
OR {11184}
(segid " " and resid "43 " and name "HB2 ")
(segid " " and resid "43 " and name "HD2 ")
ASSI {11188}
(segid " " and resid "44 " and name "HA2 ")
(segid " " and resid "44 " and name "HA1 ")
3.300 3.300 0.000 peak 11188 weight 0.10000E+01 volume 0.22860E+01 ppm1 3.730 ppm2 4.205
ASSI {11190}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "45 " and name "HB1 ")
5.000 5.000 0.000 peak 11190 weight 0.10000E+01 volume 0.66500E+00 ppm1 4.845 ppm2 1.897
ASSI {11191}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "45 " and name "HB2 ")
5.000 5.000 0.000 peak 11191 weight 0.10000E+01 volume 0.12230E+01 ppm1 4.831 ppm2 1.525
ASSI {11192}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "45 " and name "HG1 ")
5.000 5.000 0.000 peak 11192 weight 0.10000E+01 volume 0.12610E+01 ppm1 4.830 ppm2 1.356
OR {11192}
(segid " " and resid "45 " and name "HA ")
(segid " " and resid "45 " and name "HG2 ")
ASSI {11194}
(segid " " and resid "45 " and name "HB2 ")
(segid " " and resid "45 " and name "HB1 ")
5.000 5.000 0.000 peak 11194 weight 0.10000E+01 volume 0.33300E+00 ppm1 1.514 ppm2 1.917
ASSI {11196}
(segid " " and resid "45 " and name "HD1 ")
(segid " " and resid "45 " and name "HA ")
6.000 6.000 0.000 peak 11196 weight 0.10000E+01 volume -0.22500E+00 ppm1 1.575 ppm2 4.838
ASSI {11197}
(segid " " and resid "45 " and name "HD2 ")
(segid " " and resid "45 " and name "HA ")
6.000 6.000 0.000 peak 11197 weight 0.10000E+01 volume -0.21600E+00 ppm1 1.481 ppm2 4.830
ASSI {11198}
(segid " " and resid "45 " and name "HD1 ")
(segid " " and resid "45 " and name "HE2 ")
5.000 5.000 0.000 peak 11198 weight 0.10000E+01 volume -0.11320E+01 ppm1 1.585 ppm2 2.958
OR {11198}
(segid " " and resid "45 " and name "HD1 ")
(segid " " and resid "45 " and name "HE1 ")
ASSI {11199}
(segid " " and resid "45 " and name "HD2 ")
(segid " " and resid "45 " and name "HE1 ")
5.000 5.000 0.000 peak 11199 weight 0.10000E+01 volume -0.11060E+01 ppm1 1.486 ppm2 2.954
OR {11199}
(segid " " and resid "45 " and name "HD2 ")
(segid " " and resid "45 " and name "HE2 ")
ASSI {11200}
(segid " " and resid "45 " and name "HE2 ")
(segid " " and resid "45 " and name "HA ")
6.000 6.000 0.000 peak 11200 weight 0.10000E+01 volume 0.24400E+00 ppm1 2.953 ppm2 4.848
OR {11200}
(segid " " and resid "45 " and name "HE1 ")
(segid " " and resid "45 " and name "HA ")
ASSI {11201}
(segid " " and resid "45 " and name "HE1 ")
(segid " " and resid "73 " and name "HB1 ")
5.000 5.000 0.000 peak 11201 weight 0.10000E+01 volume 0.71200E+00 ppm1 2.953 ppm2 3.533
OR {11201}
(segid " " and resid "45 " and name "HE2 ")
(segid " " and resid "73 " and name "HB1 ")
ASSI {11202}
(segid " " and resid "45 " and name "HE1 ")
(segid " " and resid "73 " and name "HB2 ")
5.000 5.000 0.000 peak 11202 weight 0.10000E+01 volume 0.64700E+00 ppm1 2.953 ppm2 2.660
OR {11202}
(segid " " and resid "45 " and name "HE2 ")
(segid " " and resid "73 " and name "HB2 ")
ASSI {11204}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "45 " and name "HE1 ")
5.000 5.000 0.000 peak 11204 weight 0.10000E+01 volume -0.61000E+00 ppm1 1.379 ppm2 2.954
OR {11204}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "45 " and name "HE2 ")
OR {11204}
(segid " " and resid "45 " and name "HG2 ")
(segid " " and resid "45 " and name "HE2 ")
OR {11204}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "45 " and name "HE1 ")
ASSI {11205}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "38 " and name "HA ")
5.000 5.000 0.000 peak 11205 weight 0.10000E+01 volume 0.33300E+00 ppm1 4.771 ppm2 5.142
ASSI {11206}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "40 " and name "HA ")
5.000 5.000 0.000 peak 11206 weight 0.10000E+01 volume 0.62900E+00 ppm1 4.771 ppm2 4.363
ASSI {11207}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HB ")
5.000 5.000 0.000 peak 11207 weight 0.10000E+01 volume 0.17200E+01 ppm1 4.771 ppm2 4.930
ASSI {11208}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HG23")
3.300 3.300 0.000 peak 11208 weight 0.10000E+01 volume 0.20230E+01 ppm1 4.768 ppm2 1.198
OR {11208}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HG22")
OR {11208}
(segid " " and resid "46 " and name "HA ")
(segid " " and resid "46 " and name "HG21")
ASSI {11211}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG21")
3.300 3.300 0.000 peak 11211 weight 0.10000E+01 volume -0.21290E+01 ppm1 4.929 ppm2 1.193
OR {11211}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG22")
OR {11211}
(segid " " and resid "46 " and name "HB ")
(segid " " and resid "46 " and name "HG23")
ASSI {11214}
(segid " " and resid "46 " and name "HG22")
(segid " " and resid "38 " and name "HB2 ")
5.000 5.000 0.000 peak 11214 weight 0.10000E+01 volume -0.64800E+00 ppm1 1.193 ppm2 2.596
OR {11214}
(segid " " and resid "46 " and name "HG23")
(segid " " and resid "38 " and name "HB2 ")
OR {11214}
(segid " " and resid "46 " and name "HG21")
(segid " " and resid "38 " and name "HB2 ")
ASSI {11217}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "47 " and name "HB3 ")
3.300 3.300 0.000 peak 11217 weight 0.10000E+01 volume 0.28590E+01 ppm1 4.014 ppm2 1.250
OR {11217}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "47 " and name "HB2 ")
OR {11217}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "47 " and name "HB1 ")
ASSI {11219}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HB1 ")
5.000 5.000 0.000 peak 11219 weight 0.10000E+01 volume 0.88600E+00 ppm1 3.784 ppm2 1.562
ASSI {11220}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HB2 ")
5.000 5.000 0.000 peak 11220 weight 0.10000E+01 volume 0.10920E+01 ppm1 3.783 ppm2 1.403
ASSI {11221}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HD12")
3.300 3.300 0.000 peak 11221 weight 0.10000E+01 volume 0.23000E+01 ppm1 3.780 ppm2 0.802
OR {11221}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HD21")
OR {11221}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HD23")
OR {11221}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HD22")
OR {11221}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HD13")
OR {11221}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HD11")
ASSI {11222}
(segid " " and resid "48 " and name "HA ")
(segid " " and resid "48 " and name "HG ")
5.000 5.000 0.000 peak 11222 weight 0.10000E+01 volume 0.90800E+00 ppm1 3.781 ppm2 1.727
ASSI {11225}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HB1 ")
5.000 5.000 0.000 peak 11225 weight 0.10000E+01 volume 0.19090E+01 ppm1 1.390 ppm2 1.565
ASSI {11227}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD12")
5.000 5.000 0.000 peak 11227 weight 0.10000E+01 volume 0.18860E+01 ppm1 1.569 ppm2 0.815
OR {11227}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD13")
OR {11227}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD22")
OR {11227}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD11")
OR {11227}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD23")
OR {11227}
(segid " " and resid "48 " and name "HB1 ")
(segid " " and resid "48 " and name "HD21")
ASSI {11228}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD13")
5.000 5.000 0.000 peak 11228 weight 0.10000E+01 volume 0.15470E+01 ppm1 1.402 ppm2 0.816
OR {11228}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD12")
OR {11228}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD22")
OR {11228}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD23")
OR {11228}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD21")
OR {11228}
(segid " " and resid "48 " and name "HB2 ")
(segid " " and resid "48 " and name "HD11")
ASSI {11230}
(segid " " and resid "48 " and name "HD12")
(segid " " and resid "48 " and name "HA ")
5.000 5.000 0.000 peak 11230 weight 0.10000E+01 volume -0.88700E+00 ppm1 0.819 ppm2 3.781
OR {11230}
(segid " " and resid "48 " and name "HD13")
(segid " " and resid "48 " and name "HA ")
OR {11230}
(segid " " and resid "48 " and name "HD11")
(segid " " and resid "48 " and name "HA ")
ASSI {11231}
(segid " " and resid "48 " and name "HD12")
(segid " " and resid "48 " and name "HB1 ")
5.000 5.000 0.000 peak 11231 weight 0.10000E+01 volume -0.19730E+01 ppm1 0.819 ppm2 1.566
OR {11231}
(segid " " and resid "48 " and name "HD13")
(segid " " and resid "48 " and name "HB1 ")
OR {11231}
(segid " " and resid "48 " and name "HD11")
(segid " " and resid "48 " and name "HB1 ")
ASSI {11232}
(segid " " and resid "48 " and name "HD13")
(segid " " and resid "48 " and name "HB2 ")
5.000 5.000 0.000 peak 11232 weight 0.10000E+01 volume -0.17770E+01 ppm1 0.819 ppm2 1.406
OR {11232}
(segid " " and resid "48 " and name "HD12")
(segid " " and resid "48 " and name "HB2 ")
OR {11232}
(segid " " and resid "48 " and name "HD11")
(segid " " and resid "48 " and name "HB2 ")
ASSI {11233}
(segid " " and resid "48 " and name "HD13")
(segid " " and resid "48 " and name "HG ")
3.300 3.300 0.000 peak 11233 weight 0.10000E+01 volume -0.28620E+01 ppm1 0.818 ppm2 1.748
OR {11233}
(segid " " and resid "48 " and name "HD11")
(segid " " and resid "48 " and name "HG ")
OR {11233}
(segid " " and resid "48 " and name "HD12")
(segid " " and resid "48 " and name "HG ")
ASSI {11234}
(segid " " and resid "48 " and name "HD13")
(segid " " and resid "69 " and name "HA ")
5.000 5.000 0.000 peak 11234 weight 0.10000E+01 volume -0.16080E+01 ppm1 0.819 ppm2 4.407
OR {11234}
(segid " " and resid "48 " and name "HD12")
(segid " " and resid "69 " and name "HA ")
OR {11234}
(segid " " and resid "48 " and name "HD11")
(segid " " and resid "69 " and name "HA ")
ASSI {11235}
(segid " " and resid "48 " and name "HD21")
(segid " " and resid "48 " and name "HA ")
3.300 3.300 0.000 peak 11235 weight 0.10000E+01 volume -0.27730E+01 ppm1 0.793 ppm2 3.783
OR {11235}
(segid " " and resid "48 " and name "HD23")
(segid " " and resid "48 " and name "HA ")
OR {11235}
(segid " " and resid "48 " and name "HD22")
(segid " " and resid "48 " and name "HA ")
ASSI {11236}
(segid " " and resid "48 " and name "HD22")
(segid " " and resid "48 " and name "HB1 ")
3.300 3.300 0.000 peak 11236 weight 0.10000E+01 volume -0.26930E+01 ppm1 0.792 ppm2 1.566
OR {11236}
(segid " " and resid "48 " and name "HD23")
(segid " " and resid "48 " and name "HB1 ")
OR {11236}
(segid " " and resid "48 " and name "HD21")
(segid " " and resid "48 " and name "HB1 ")
ASSI {11237}
(segid " " and resid "48 " and name "HD22")
(segid " " and resid "48 " and name "HG ")
2.700 2.700 0.000 peak 11237 weight 0.10000E+01 volume -0.42290E+01 ppm1 0.791 ppm2 1.748
OR {11237}
(segid " " and resid "48 " and name "HD23")
(segid " " and resid "48 " and name "HG ")
OR {11237}
(segid " " and resid "48 " and name "HD21")
(segid " " and resid "48 " and name "HG ")
ASSI {11238}
(segid " " and resid "48 " and name "HD22")
(segid " " and resid "69 " and name "HA ")
5.000 5.000 0.000 peak 11238 weight 0.10000E+01 volume -0.46500E+00 ppm1 0.796 ppm2 4.405
OR {11238}
(segid " " and resid "48 " and name "HD23")
(segid " " and resid "69 " and name "HA ")
OR {11238}
(segid " " and resid "48 " and name "HD21")
(segid " " and resid "69 " and name "HA ")
ASSI {11239}
(segid " " and resid "48 " and name "HG ")
(segid " " and resid "48 " and name "HB2 ")
3.300 3.300 0.000 peak 11239 weight 0.10000E+01 volume -0.20040E+01 ppm1 1.753 ppm2 1.406
ASSI {11240}
(segid " " and resid "48 " and name "HG ")
(segid " " and resid "48 " and name "HD13")
2.700 2.700 0.000 peak 11240 weight 0.10000E+01 volume -0.50530E+01 ppm1 1.753 ppm2 0.819
OR {11240}
(segid " " and resid "48 " and name "HG ")
(segid " " and resid "48 " and name "HD22")
OR {11240}
(segid " " and resid "48 " and name "HG ")
(segid " " and resid "48 " and name "HD23")
OR {11240}
(segid " " and resid "48 " and name "HG ")
(segid " " and resid "48 " and name "HD11")
OR {11240}
(segid " " and resid "48 " and name "HG ")
(segid " " and resid "48 " and name "HD21")
OR {11240}
(segid " " and resid "48 " and name "HG ")
(segid " " and resid "48 " and name "HD12")
ASSI {11241}
(segid " " and resid "49 " and name "HG1 ")
(segid " " and resid "49 " and name "HA ")
6.000 6.000 0.000 peak 11241 weight 0.10000E+01 volume 0.20400E+00 ppm1 2.706 ppm2 4.197
ASSI {11242}
(segid " " and resid "49 " and name "HG1 ")
(segid " " and resid "49 " and name "HG2 ")
5.000 5.000 0.000 peak 11242 weight 0.10000E+01 volume 0.65300E+00 ppm1 2.715 ppm2 2.221
ASSI {11243}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HB ")
3.300 3.300 0.000 peak 11243 weight 0.10000E+01 volume -0.22790E+01 ppm1 4.654 ppm2 2.511
ASSI {11244}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HG12")
3.300 3.300 0.000 peak 11244 weight 0.10000E+01 volume -0.28440E+01 ppm1 4.652 ppm2 0.849
OR {11244}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HG13")
OR {11244}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HG11")
ASSI {11245}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HG23")
5.000 5.000 0.000 peak 11245 weight 0.10000E+01 volume -0.19940E+01 ppm1 4.652 ppm2 0.917
OR {11245}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HG22")
OR {11245}
(segid " " and resid "50 " and name "HA ")
(segid " " and resid "50 " and name "HG21")
ASSI {11247}
(segid " " and resid "50 " and name "HB ")
(segid " " and resid "50 " and name "HG12")
3.300 3.300 0.000 peak 11247 weight 0.10000E+01 volume -0.33530E+01 ppm1 2.516 ppm2 0.849
OR {11247}
(segid " " and resid "50 " and name "HB ")
(segid " " and resid "50 " and name "HG13")
OR {11247}
(segid " " and resid "50 " and name "HB ")
(segid " " and resid "50 " and name "HG11")
ASSI {11248}
(segid " " and resid "50 " and name "HB ")
(segid " " and resid "50 " and name "HG22")
3.300 3.300 0.000 peak 11248 weight 0.10000E+01 volume -0.33200E+01 ppm1 2.514 ppm2 0.921
OR {11248}
(segid " " and resid "50 " and name "HB ")
(segid " " and resid "50 " and name "HG23")
OR {11248}
(segid " " and resid "50 " and name "HB ")
(segid " " and resid "50 " and name "HG21")
ASSI {11249}
(segid " " and resid "50 " and name "HG13")
(segid " " and resid "45 " and name "HE2 ")
5.000 5.000 0.000 peak 11249 weight 0.10000E+01 volume -0.67500E+00 ppm1 0.859 ppm2 2.954
OR {11249}
(segid " " and resid "50 " and name "HG12")
(segid " " and resid "45 " and name "HE2 ")
OR {11249}
(segid " " and resid "50 " and name "HG13")
(segid " " and resid "45 " and name "HE1 ")
OR {11249}
(segid " " and resid "50 " and name "HG12")
(segid " " and resid "45 " and name "HE1 ")
OR {11249}
(segid " " and resid "50 " and name "HG11")
(segid " " and resid "45 " and name "HE2 ")
OR {11249}
(segid " " and resid "50 " and name "HG11")
(segid " " and resid "45 " and name "HE1 ")
ASSI {11254}
(segid " " and resid "50 " and name "HG23")
(segid " " and resid "51 " and name "HA ")
6.000 6.000 0.000 peak 11254 weight 0.10000E+01 volume -0.26100E+00 ppm1 0.926 ppm2 3.434
OR {11254}
(segid " " and resid "50 " and name "HG22")
(segid " " and resid "51 " and name "HA ")
OR {11254}
(segid " " and resid "50 " and name "HG21")
(segid " " and resid "51 " and name "HA ")
ASSI {11259}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "51 " and name "HB1 ")
5.000 5.000 0.000 peak 11259 weight 0.10000E+01 volume 0.68000E+00 ppm1 3.444 ppm2 1.964
ASSI {11260}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "51 " and name "HB2 ")
5.000 5.000 0.000 peak 11260 weight 0.10000E+01 volume 0.98500E+00 ppm1 3.441 ppm2 1.443
ASSI {11261}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "51 " and name "HG1 ")
6.000 6.000 0.000 peak 11261 weight 0.10000E+01 volume 0.26800E+00 ppm1 3.438 ppm2 2.324
ASSI {11262}
(segid " " and resid "51 " and name "HA ")
(segid " " and resid "51 " and name "HG2 ")
5.000 5.000 0.000 peak 11262 weight 0.10000E+01 volume 0.38800E+00 ppm1 3.440 ppm2 1.193
ASSI {11265}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "51 " and name "HB1 ")
5.000 5.000 0.000 peak 11265 weight 0.10000E+01 volume 0.58600E+00 ppm1 1.450 ppm2 1.948
ASSI {11267}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "51 " and name "HG1 ")
5.000 5.000 0.000 peak 11267 weight 0.10000E+01 volume 0.41800E+00 ppm1 1.443 ppm2 2.332
ASSI {11268}
(segid " " and resid "51 " and name "HB1 ")
(segid " " and resid "51 " and name "HG2 ")
5.000 5.000 0.000 peak 11268 weight 0.10000E+01 volume 0.48600E+00 ppm1 1.967 ppm2 1.169
ASSI {11269}
(segid " " and resid "51 " and name "HB2 ")
(segid " " and resid "51 " and name "HG2 ")
5.000 5.000 0.000 peak 11269 weight 0.10000E+01 volume 0.53800E+00 ppm1 1.443 ppm2 1.176
ASSI {11270}
(segid " " and resid "51 " and name "HE2 ")
(segid " " and resid "53 " and name "HA ")
5.000 5.000 0.000 peak 11270 weight 0.10000E+01 volume -0.10920E+01 ppm1 1.688 ppm2 3.912
OR {11270}
(segid " " and resid "51 " and name "HE1 ")
(segid " " and resid "53 " and name "HA ")
OR {11270}
(segid " " and resid "51 " and name "HE3 ")
(segid " " and resid "53 " and name "HA ")
ASSI {11272}
(segid " " and resid "51 " and name "HG1 ")
(segid " " and resid "51 " and name "HE3 ")
5.000 5.000 0.000 peak 11272 weight 0.10000E+01 volume -0.77400E+00 ppm1 2.333 ppm2 1.691
OR {11272}
(segid " " and resid "51 " and name "HG1 ")
(segid " " and resid "51 " and name "HE2 ")
OR {11272}
(segid " " and resid "51 " and name "HG1 ")
(segid " " and resid "51 " and name "HE1 ")
ASSI {11273}
(segid " " and resid "51 " and name "HG2 ")
(segid " " and resid "51 " and name "HE3 ")
5.000 5.000 0.000 peak 11273 weight 0.10000E+01 volume -0.61100E+00 ppm1 1.182 ppm2 1.690
OR {11273}
(segid " " and resid "51 " and name "HG2 ")
(segid " " and resid "51 " and name "HE2 ")
OR {11273}
(segid " " and resid "51 " and name "HG2 ")
(segid " " and resid "51 " and name "HE1 ")
ASSI {11274}
(segid " " and resid "52 " and name "HA ")
(segid " " and resid "52 " and name "HB2 ")
5.000 5.000 0.000 peak 11274 weight 0.10000E+01 volume 0.19440E+01 ppm1 4.251 ppm2 1.860
ASSI {11275}
(segid " " and resid "52 " and name "HA ")
(segid " " and resid "52 " and name "HG2 ")
5.000 5.000 0.000 peak 11275 weight 0.10000E+01 volume 0.11990E+01 ppm1 4.245 ppm2 2.555
OR {11275}
(segid " " and resid "52 " and name "HA ")
(segid " " and resid "52 " and name "HG1 ")
ASSI {11276}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "52 " and name "HA ")
5.000 5.000 0.000 peak 11276 weight 0.10000E+01 volume -0.19010E+01 ppm1 2.127 ppm2 4.235
ASSI {11277}
(segid " " and resid "52 " and name "HB1 ")
(segid " " and resid "52 " and name "HB2 ")
3.300 3.300 0.000 peak 11277 weight 0.10000E+01 volume -0.36660E+01 ppm1 2.127 ppm2 1.860
ASSI {11279}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "53 " and name "HB1 ")
5.000 5.000 0.000 peak 11279 weight 0.10000E+01 volume -0.84500E+00 ppm1 3.907 ppm2 2.838
ASSI {11280}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "53 " and name "HB2 ")
5.000 5.000 0.000 peak 11280 weight 0.10000E+01 volume -0.96100E+00 ppm1 3.907 ppm2 2.730
ASSI {11281}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "53 " and name "HD2 ")
5.000 5.000 0.000 peak 11281 weight 0.10000E+01 volume -0.55700E+00 ppm1 3.913 ppm2 7.198
OR {11281}
(segid " " and resid "53 " and name "HA ")
(segid " " and resid "53 " and name "HD1 ")
ASSI {11284}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD2 ")
5.000 5.000 0.000 peak 11284 weight 0.10000E+01 volume 0.49700E+00 ppm1 2.833 ppm2 7.204
OR {11284}
(segid " " and resid "53 " and name "HB1 ")
(segid " " and resid "53 " and name "HD1 ")
ASSI {11285}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD2 ")
5.000 5.000 0.000 peak 11285 weight 0.10000E+01 volume 0.37700E+00 ppm1 2.735 ppm2 7.200
OR {11285}
(segid " " and resid "53 " and name "HB2 ")
(segid " " and resid "53 " and name "HD1 ")
ASSI {11289}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "95 " and name "HD13")
6.000 6.000 0.000 peak 11289 weight 0.10000E+01 volume -0.17600E+00 ppm1 7.197 ppm2 0.766
OR {11289}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "95 " and name "HD12")
OR {11289}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "95 " and name "HD11")
OR {11289}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "95 " and name "HD13")
OR {11289}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "95 " and name "HD11")
OR {11289}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "95 " and name "HD12")
ASSI {11290}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "96 " and name "HB ")
6.000 6.000 0.000 peak 11290 weight 0.10000E+01 volume -0.20900E+00 ppm1 7.201 ppm2 2.333
OR {11290}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "96 " and name "HB ")
ASSI {11291}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "96 " and name "HG12")
5.000 5.000 0.000 peak 11291 weight 0.10000E+01 volume -0.11440E+01 ppm1 7.197 ppm2 1.139
OR {11291}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "96 " and name "HG11")
OR {11291}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "96 " and name "HG13")
OR {11291}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "96 " and name "HG13")
OR {11291}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "96 " and name "HG12")
OR {11291}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "96 " and name "HG11")
OR {11291}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "96 " and name "HG22")
OR {11291}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "96 " and name "HG21")
OR {11291}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "96 " and name "HG22")
OR {11291}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "96 " and name "HG21")
OR {11291}
(segid " " and resid "53 " and name "HD1 ")
(segid " " and resid "96 " and name "HG23")
OR {11291}
(segid " " and resid "53 " and name "HD2 ")
(segid " " and resid "96 " and name "HG23")
ASSI {11292}
(segid " " and resid "55 " and name "HA ")
(segid " " and resid "55 " and name "HB1 ")
3.300 3.300 0.000 peak 11292 weight 0.10000E+01 volume 0.20750E+01 ppm1 5.057 ppm2 3.999
ASSI {11293}
(segid " " and resid "55 " and name "HA ")
(segid " " and resid "55 " and name "HB2 ")
5.000 5.000 0.000 peak 11293 weight 0.10000E+01 volume 0.72500E+00 ppm1 5.055 ppm2 3.681
ASSI {11294}
(segid " " and resid "55 " and name "HA ")
(segid " " and resid "56 " and name "HD2 ")
5.000 5.000 0.000 peak 11294 weight 0.10000E+01 volume 0.92000E+00 ppm1 5.057 ppm2 3.360
ASSI {11295}
(segid " " and resid "55 " and name "HA ")
(segid " " and resid "56 " and name "HG1 ")
5.000 5.000 0.000 peak 11295 weight 0.10000E+01 volume 0.10160E+01 ppm1 5.052 ppm2 2.047
OR {11295}
(segid " " and resid "55 " and name "HA ")
(segid " " and resid "56 " and name "HG2 ")
ASSI {11298}
(segid " " and resid "55 " and name "HB2 ")
(segid " " and resid "55 " and name "HB1 ")
2.700 2.700 0.000 peak 11298 weight 0.10000E+01 volume -0.54700E+01 ppm1 3.689 ppm2 3.985
ASSI {11300}
(segid " " and resid "56 " and name "HA ")
(segid " " and resid "55 " and name "HA ")
6.000 6.000 0.000 peak 11300 weight 0.10000E+01 volume -0.13400E+00 ppm1 4.315 ppm2 5.055
ASSI {11301}
(segid " " and resid "56 " and name "HA ")
(segid " " and resid "56 " and name "HD2 ")
6.000 6.000 0.000 peak 11301 weight 0.10000E+01 volume -0.21800E+00 ppm1 4.302 ppm2 3.369
ASSI {11302}
(segid " " and resid "56 " and name "HD1 ")
(segid " " and resid "55 " and name "HA ")
5.000 5.000 0.000 peak 11302 weight 0.10000E+01 volume 0.11970E+01 ppm1 4.013 ppm2 5.057
ASSI {11304}
(segid " " and resid "56 " and name "HD1 ")
(segid " " and resid "56 " and name "HA ")
5.000 5.000 0.000 peak 11304 weight 0.10000E+01 volume 0.31300E+00 ppm1 4.018 ppm2 4.285
ASSI {11306}
(segid " " and resid "56 " and name "HD2 ")
(segid " " and resid "56 " and name "HD1 ")
5.000 5.000 0.000 peak 11306 weight 0.10000E+01 volume 0.14000E+01 ppm1 3.362 ppm2 4.000
ASSI {11308}
(segid " " and resid "56 " and name "HD1 ")
(segid " " and resid "56 " and name "HG1 ")
5.000 5.000 0.000 peak 11308 weight 0.10000E+01 volume 0.17780E+01 ppm1 4.015 ppm2 2.048
OR {11308}
(segid " " and resid "56 " and name "HD1 ")
(segid " " and resid "56 " and name "HG2 ")
ASSI {11309}
(segid " " and resid "56 " and name "HD2 ")
(segid " " and resid "56 " and name "HG2 ")
5.000 5.000 0.000 peak 11309 weight 0.10000E+01 volume 0.10540E+01 ppm1 3.360 ppm2 2.044
OR {11309}
(segid " " and resid "56 " and name "HD2 ")
(segid " " and resid "56 " and name "HG1 ")
ASSI {11313}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "90 " and name "HB1 ")
5.000 5.000 0.000 peak 11313 weight 0.10000E+01 volume -0.77900E+00 ppm1 2.047 ppm2 2.757
OR {11313}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "90 " and name "HB1 ")
ASSI {11314}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "90 " and name "HB2 ")
5.000 5.000 0.000 peak 11314 weight 0.10000E+01 volume -0.86500E+00 ppm1 2.047 ppm2 2.580
OR {11314}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "90 " and name "HB2 ")
ASSI {11315}
(segid " " and resid "58 " and name "HA ")
(segid " " and resid "58 " and name "HB ")
5.000 5.000 0.000 peak 11315 weight 0.10000E+01 volume -0.50200E+00 ppm1 3.421 ppm2 2.329
ASSI {11317}
(segid " " and resid "58 " and name "HG22")
(segid " " and resid "58 " and name "HA ")
3.300 3.300 0.000 peak 11317 weight 0.10000E+01 volume -0.27170E+01 ppm1 0.952 ppm2 3.425
OR {11317}
(segid " " and resid "58 " and name "HG21")
(segid " " and resid "58 " and name "HA ")
OR {11317}
(segid " " and resid "58 " and name "HG23")
(segid " " and resid "58 " and name "HA ")
ASSI {11318}
(segid " " and resid "58 " and name "HG21")
(segid " " and resid "58 " and name "HB ")
2.700 2.700 0.000 peak 11318 weight 0.10000E+01 volume -0.58120E+01 ppm1 0.955 ppm2 2.324
OR {11318}
(segid " " and resid "58 " and name "HG22")
(segid " " and resid "58 " and name "HB ")
OR {11318}
(segid " " and resid "58 " and name "HG23")
(segid " " and resid "58 " and name "HB ")
ASSI {11319}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HB1 ")
5.000 5.000 0.000 peak 11319 weight 0.10000E+01 volume 0.99600E+00 ppm1 3.632 ppm2 1.801
ASSI {11320}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HB2 ")
5.000 5.000 0.000 peak 11320 weight 0.10000E+01 volume 0.14290E+01 ppm1 3.629 ppm2 1.609
ASSI {11321}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD21")
3.300 3.300 0.000 peak 11321 weight 0.10000E+01 volume 0.37900E+01 ppm1 3.628 ppm2 0.963
OR {11321}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD23")
OR {11321}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD11")
OR {11321}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD13")
OR {11321}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD22")
OR {11321}
(segid " " and resid "60 " and name "HA ")
(segid " " and resid "60 " and name "HD12")
ASSI {11324}
(segid " " and resid "60 " and name "HB1 ")
(segid " " and resid "60 " and name "HD13")
2.700 2.700 0.000 peak 11324 weight 0.10000E+01 volume 0.41190E+01 ppm1 1.798 ppm2 0.960
OR {11324}
(segid " " and resid "60 " and name "HB1 ")
(segid " " and resid "60 " and name "HD23")
OR {11324}
(segid " " and resid "60 " and name "HB1 ")
(segid " " and resid "60 " and name "HD22")
OR {11324}
(segid " " and resid "60 " and name "HB1 ")
(segid " " and resid "60 " and name "HD11")
OR {11324}
(segid " " and resid "60 " and name "HB1 ")
(segid " " and resid "60 " and name "HD21")
OR {11324}
(segid " " and resid "60 " and name "HB1 ")
(segid " " and resid "60 " and name "HD12")
ASSI {11325}
(segid " " and resid "60 " and name "HD21")
(segid " " and resid "60 " and name "HA ")
3.300 3.300 0.000 peak 11325 weight 0.10000E+01 volume -0.32720E+01 ppm1 0.959 ppm2 3.629
OR {11325}
(segid " " and resid "60 " and name "HD23")
(segid " " and resid "60 " and name "HA ")
OR {11325}
(segid " " and resid "60 " and name "HD22")
(segid " " and resid "60 " and name "HA ")
ASSI {11326}
(segid " " and resid "60 " and name "HD21")
(segid " " and resid "60 " and name "HG ")
2.700 2.700 0.000 peak 11326 weight 0.10000E+01 volume -0.70860E+01 ppm1 0.952 ppm2 1.513
OR {11326}
(segid " " and resid "60 " and name "HD23")
(segid " " and resid "60 " and name "HG ")
OR {11326}
(segid " " and resid "60 " and name "HD22")
(segid " " and resid "60 " and name "HG ")
ASSI {11327}
(segid " " and resid "60 " and name "HG ")
(segid " " and resid "60 " and name "HA ")
5.000 5.000 0.000 peak 11327 weight 0.10000E+01 volume -0.73100E+00 ppm1 1.526 ppm2 3.637
ASSI {11328}
(segid " " and resid "61 " and name "HA ")
(segid " " and resid "61 " and name "HG1 ")
5.000 5.000 0.000 peak 11328 weight 0.10000E+01 volume 0.12330E+01 ppm1 3.881 ppm2 2.442
ASSI {11329}
(segid " " and resid "61 " and name "HA ")
(segid " " and resid "64 " and name "HE1 ")
6.000 6.000 0.000 peak 11329 weight 0.10000E+01 volume 0.19300E+00 ppm1 3.881 ppm2 3.002
OR {11329}
(segid " " and resid "61 " and name "HA ")
(segid " " and resid "64 " and name "HE2 ")
ASSI {11331}
(segid " " and resid "61 " and name "HG2 ")
(segid " " and resid "61 " and name "HA ")
6.000 6.000 0.000 peak 11331 weight 0.10000E+01 volume 0.24100E+00 ppm1 2.094 ppm2 3.866
ASSI {11332}
(segid " " and resid "62 " and name "HA ")
(segid " " and resid "62 " and name "HB1 ")
5.000 5.000 0.000 peak 11332 weight 0.10000E+01 volume 0.13900E+01 ppm1 3.783 ppm2 1.836
ASSI {11333}
(segid " " and resid "62 " and name "HA ")
(segid " " and resid "62 " and name "HG ")
5.000 5.000 0.000 peak 11333 weight 0.10000E+01 volume 0.14600E+01 ppm1 3.776 ppm2 1.723
ASSI {11334}
(segid " " and resid "62 " and name "HB1 ")
(segid " " and resid "62 " and name "HD11")
5.000 5.000 0.000 peak 11334 weight 0.10000E+01 volume 0.77700E+00 ppm1 1.854 ppm2 0.693
OR {11334}
(segid " " and resid "62 " and name "HB1 ")
(segid " " and resid "62 " and name "HD13")
OR {11334}
(segid " " and resid "62 " and name "HB1 ")
(segid " " and resid "62 " and name "HD12")
ASSI {11336}
(segid " " and resid "63 " and name "HA ")
(segid " " and resid "63 " and name "HG ")
5.000 5.000 0.000 peak 11336 weight 0.10000E+01 volume 0.16760E+01 ppm1 3.898 ppm2 1.604
ASSI {11337}
(segid " " and resid "63 " and name "HB1 ")
(segid " " and resid "63 " and name "HA ")
5.000 5.000 0.000 peak 11337 weight 0.10000E+01 volume 0.32600E+00 ppm1 1.217 ppm2 3.899
ASSI {11338}
(segid " " and resid "63 " and name "HB2 ")
(segid " " and resid "63 " and name "HA ")
5.000 5.000 0.000 peak 11338 weight 0.10000E+01 volume 0.31600E+00 ppm1 0.862 ppm2 3.909
ASSI {11339}
(segid " " and resid "63 " and name "HB1 ")
(segid " " and resid "63 " and name "HB2 ")
5.000 5.000 0.000 peak 11339 weight 0.10000E+01 volume 0.10740E+01 ppm1 1.216 ppm2 0.843
ASSI {11340}
(segid " " and resid "63 " and name "HB1 ")
(segid " " and resid "63 " and name "HG ")
6.000 6.000 0.000 peak 11340 weight 0.10000E+01 volume 0.28400E+00 ppm1 1.230 ppm2 1.601
ASSI {11341}
(segid " " and resid "63 " and name "HB2 ")
(segid " " and resid "63 " and name "HG ")
6.000 6.000 0.000 peak 11341 weight 0.10000E+01 volume 0.89000E-01 ppm1 0.856 ppm2 1.588
ASSI {11342}
(segid " " and resid "63 " and name "HD13")
(segid " " and resid "63 " and name "HA ")
5.000 5.000 0.000 peak 11342 weight 0.10000E+01 volume -0.14800E+01 ppm1 0.659 ppm2 3.915
OR {11342}
(segid " " and resid "63 " and name "HD11")
(segid " " and resid "63 " and name "HA ")
OR {11342}
(segid " " and resid "63 " and name "HD12")
(segid " " and resid "63 " and name "HA ")
ASSI {11343}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "64 " and name "HE2 ")
6.000 6.000 0.000 peak 11343 weight 0.10000E+01 volume -0.14400E+00 ppm1 4.102 ppm2 3.007
OR {11343}
(segid " " and resid "64 " and name "HA ")
(segid " " and resid "64 " and name "HE1 ")
ASSI {11344}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "64 " and name "HA ")
3.300 3.300 0.000 peak 11344 weight 0.10000E+01 volume -0.23840E+01 ppm1 1.990 ppm2 4.111
ASSI {11345}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "64 " and name "HA ")
3.300 3.300 0.000 peak 11345 weight 0.10000E+01 volume -0.27540E+01 ppm1 1.902 ppm2 4.111
ASSI {11346}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "64 " and name "HE1 ")
5.000 5.000 0.000 peak 11346 weight 0.10000E+01 volume -0.37100E+00 ppm1 1.992 ppm2 2.995
OR {11346}
(segid " " and resid "64 " and name "HB1 ")
(segid " " and resid "64 " and name "HE2 ")
ASSI {11347}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "64 " and name "HE1 ")
5.000 5.000 0.000 peak 11347 weight 0.10000E+01 volume -0.30400E+00 ppm1 1.886 ppm2 2.981
OR {11347}
(segid " " and resid "64 " and name "HB2 ")
(segid " " and resid "64 " and name "HE2 ")
ASSI {11352}
(segid " " and resid "64 " and name "HE2 ")
(segid " " and resid "64 " and name "HD1 ")
3.300 3.300 0.000 peak 11352 weight 0.10000E+01 volume 0.31930E+01 ppm1 2.990 ppm2 1.701
OR {11352}
(segid " " and resid "64 " and name "HE1 ")
(segid " " and resid "64 " and name "HD2 ")
OR {11352}
(segid " " and resid "64 " and name "HE2 ")
(segid " " and resid "64 " and name "HD2 ")
OR {11352}
(segid " " and resid "64 " and name "HE1 ")
(segid " " and resid "64 " and name "HD1 ")
ASSI {11353}
(segid " " and resid "64 " and name "HE1 ")
(segid " " and resid "64 " and name "HG2 ")
3.300 3.300 0.000 peak 11353 weight 0.10000E+01 volume 0.22890E+01 ppm1 2.989 ppm2 1.619
OR {11353}
(segid " " and resid "64 " and name "HE2 ")
(segid " " and resid "64 " and name "HG1 ")
OR {11353}
(segid " " and resid "64 " and name "HE2 ")
(segid " " and resid "64 " and name "HG2 ")
OR {11353}
(segid " " and resid "64 " and name "HE1 ")
(segid " " and resid "64 " and name "HG1 ")
ASSI {11354}
(segid " " and resid "64 " and name "HG2 ")
(segid " " and resid "64 " and name "HB1 ")
3.300 3.300 0.000 peak 11354 weight 0.10000E+01 volume -0.29180E+01 ppm1 1.640 ppm2 2.000
OR {11354}
(segid " " and resid "64 " and name "HG1 ")
(segid " " and resid "64 " and name "HB1 ")
ASSI {11355}
(segid " " and resid "64 " and name "HG1 ")
(segid " " and resid "64 " and name "HB2 ")
3.300 3.300 0.000 peak 11355 weight 0.10000E+01 volume -0.35000E+01 ppm1 1.637 ppm2 1.893
OR {11355}
(segid " " and resid "64 " and name "HG2 ")
(segid " " and resid "64 " and name "HB2 ")
ASSI {11357}
(segid " " and resid "65 " and name "HA ")
(segid " " and resid "65 " and name "HB1 ")
5.000 5.000 0.000 peak 11357 weight 0.10000E+01 volume 0.12140E+01 ppm1 4.518 ppm2 2.176
ASSI {11358}
(segid " " and resid "65 " and name "HA ")
(segid " " and resid "65 " and name "HB2 ")
5.000 5.000 0.000 peak 11358 weight 0.10000E+01 volume 0.13530E+01 ppm1 4.509 ppm2 2.032
ASSI {11359}
(segid " " and resid "65 " and name "HA ")
(segid " " and resid "65 " and name "HG1 ")
5.000 5.000 0.000 peak 11359 weight 0.10000E+01 volume 0.42900E+00 ppm1 4.510 ppm2 2.576
ASSI {11360}
(segid " " and resid "65 " and name "HA ")
(segid " " and resid "65 " and name "HG2 ")
5.000 5.000 0.000 peak 11360 weight 0.10000E+01 volume 0.54100E+00 ppm1 4.504 ppm2 2.449
ASSI {11363}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "30 " and name "HB2 ")
5.000 5.000 0.000 peak 11363 weight 0.10000E+01 volume 0.39000E+00 ppm1 2.578 ppm2 1.004
ASSI {11364}
(segid " " and resid "65 " and name "HG2 ")
(segid " " and resid "30 " and name "HB2 ")
5.000 5.000 0.000 peak 11364 weight 0.10000E+01 volume 0.46400E+00 ppm1 2.443 ppm2 1.008
ASSI {11365}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "30 " and name "HD13")
5.000 5.000 0.000 peak 11365 weight 0.10000E+01 volume 0.44300E+00 ppm1 2.580 ppm2 0.668
OR {11365}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "30 " and name "HD11")
OR {11365}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "30 " and name "HD12")
ASSI {11366}
(segid " " and resid "65 " and name "HG2 ")
(segid " " and resid "30 " and name "HD12")
5.000 5.000 0.000 peak 11366 weight 0.10000E+01 volume 0.49800E+00 ppm1 2.450 ppm2 0.665
OR {11366}
(segid " " and resid "65 " and name "HG2 ")
(segid " " and resid "30 " and name "HD13")
OR {11366}
(segid " " and resid "65 " and name "HG2 ")
(segid " " and resid "30 " and name "HD11")
ASSI {11367}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "30 " and name "HD21")
5.000 5.000 0.000 peak 11367 weight 0.10000E+01 volume 0.53300E+00 ppm1 2.578 ppm2 0.771
OR {11367}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "30 " and name "HD23")
OR {11367}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "30 " and name "HD22")
ASSI {11368}
(segid " " and resid "65 " and name "HG2 ")
(segid " " and resid "30 " and name "HD21")
5.000 5.000 0.000 peak 11368 weight 0.10000E+01 volume 0.59400E+00 ppm1 2.450 ppm2 0.767
OR {11368}
(segid " " and resid "65 " and name "HG2 ")
(segid " " and resid "30 " and name "HD23")
OR {11368}
(segid " " and resid "65 " and name "HG2 ")
(segid " " and resid "30 " and name "HD22")
ASSI {11371}
(segid " " and resid "65 " and name "HG1 ")
(segid " " and resid "65 " and name "HB2 ")
5.000 5.000 0.000 peak 11371 weight 0.10000E+01 volume 0.10790E+01 ppm1 2.582 ppm2 2.029
ASSI {11372}
(segid " " and resid "66 " and name "HA2 ")
(segid " " and resid "66 " and name "HA1 ")
5.000 5.000 0.000 peak 11372 weight 0.10000E+01 volume 0.16920E+01 ppm1 3.776 ppm2 4.391
ASSI {11374}
(segid " " and resid "67 " and name "HA ")
(segid " " and resid "67 " and name "HB3 ")
3.300 3.300 0.000 peak 11374 weight 0.10000E+01 volume 0.28240E+01 ppm1 4.020 ppm2 1.129
OR {11374}
(segid " " and resid "67 " and name "HA ")
(segid " " and resid "67 " and name "HB1 ")
OR {11374}
(segid " " and resid "67 " and name "HA ")
(segid " " and resid "67 " and name "HB2 ")
ASSI {11375}
(segid " " and resid "68 " and name "HA ")
(segid " " and resid "68 " and name "HB1 ")
5.000 5.000 0.000 peak 11375 weight 0.10000E+01 volume 0.17500E+01 ppm1 4.767 ppm2 3.951
OR {11375}
(segid " " and resid "68 " and name "HA ")
(segid " " and resid "68 " and name "HB2 ")
ASSI {11376}
(segid " " and resid "68 " and name "HA ")
(segid " " and resid "69 " and name "HD2 ")
3.300 3.300 0.000 peak 11376 weight 0.10000E+01 volume 0.27360E+01 ppm1 4.767 ppm2 4.099
OR {11376}
(segid " " and resid "68 " and name "HA ")
(segid " " and resid "69 " and name "HD1 ")
ASSI {11378}
(segid " " and resid "69 " and name "HA ")
(segid " " and resid "69 " and name "HB2 ")
5.000 5.000 0.000 peak 11378 weight 0.10000E+01 volume -0.89800E+00 ppm1 4.410 ppm2 1.703
ASSI {11380}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "69 " and name "HA ")
6.000 6.000 0.000 peak 11380 weight 0.10000E+01 volume 0.21900E+00 ppm1 4.094 ppm2 4.413
OR {11380}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "69 " and name "HA ")
ASSI {11381}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "69 " and name "HB1 ")
5.000 5.000 0.000 peak 11381 weight 0.10000E+01 volume 0.78700E+00 ppm1 4.094 ppm2 1.929
OR {11381}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "69 " and name "HB1 ")
ASSI {11382}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "69 " and name "HB2 ")
5.000 5.000 0.000 peak 11382 weight 0.10000E+01 volume 0.34100E+00 ppm1 4.095 ppm2 1.708
OR {11382}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "69 " and name "HB2 ")
ASSI {11383}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "69 " and name "HG1 ")
5.000 5.000 0.000 peak 11383 weight 0.10000E+01 volume 0.97800E+00 ppm1 4.101 ppm2 2.123
OR {11383}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "69 " and name "HG1 ")
ASSI {11384}
(segid " " and resid "69 " and name "HD2 ")
(segid " " and resid "69 " and name "HG2 ")
5.000 5.000 0.000 peak 11384 weight 0.10000E+01 volume 0.77300E+00 ppm1 4.103 ppm2 1.835
OR {11384}
(segid " " and resid "69 " and name "HD1 ")
(segid " " and resid "69 " and name "HG2 ")
ASSI {11385}
(segid " " and resid "69 " and name "HG1 ")
(segid " " and resid "69 " and name "HA ")
6.000 6.000 0.000 peak 11385 weight 0.10000E+01 volume -0.27100E+00 ppm1 2.127 ppm2 4.404
ASSI {11386}
(segid " " and resid "69 " and name "HG2 ")
(segid " " and resid "69 " and name "HA ")
6.000 6.000 0.000 peak 11386 weight 0.10000E+01 volume -0.23300E+00 ppm1 1.836 ppm2 4.408
ASSI {11387}
(segid " " and resid "69 " and name "HG1 ")
(segid " " and resid "69 " and name "HB2 ")
5.000 5.000 0.000 peak 11387 weight 0.10000E+01 volume -0.79700E+00 ppm1 2.123 ppm2 1.706
ASSI {11390}
(segid " " and resid "69 " and name "HG2 ")
(segid " " and resid "69 " and name "HG1 ")
5.000 5.000 0.000 peak 11390 weight 0.10000E+01 volume -0.13800E+01 ppm1 1.833 ppm2 2.127
ASSI {11392}
(segid " " and resid "70 " and name "HA ")
(segid " " and resid "70 " and name "HB1 ")
5.000 5.000 0.000 peak 11392 weight 0.10000E+01 volume 0.67200E+00 ppm1 5.143 ppm2 3.006
ASSI {11393}
(segid " " and resid "70 " and name "HA ")
(segid " " and resid "70 " and name "HB2 ")
5.000 5.000 0.000 peak 11393 weight 0.10000E+01 volume 0.56600E+00 ppm1 5.147 ppm2 2.796
ASSI {11396}
(segid " " and resid "70 " and name "HB2 ")
(segid " " and resid "70 " and name "HB1 ")
5.000 5.000 0.000 peak 11396 weight 0.10000E+01 volume 0.16620E+01 ppm1 2.794 ppm2 3.007
ASSI {11398}
(segid " " and resid "71 " and name "HA ")
(segid " " and resid "71 " and name "HB ")
3.300 3.300 0.000 peak 11398 weight 0.10000E+01 volume -0.28140E+01 ppm1 4.335 ppm2 2.054
ASSI {11399}
(segid " " and resid "71 " and name "HA ")
(segid " " and resid "71 " and name "HG12")
3.300 3.300 0.000 peak 11399 weight 0.10000E+01 volume -0.31290E+01 ppm1 4.337 ppm2 0.928
OR {11399}
(segid " " and resid "71 " and name "HA ")
(segid " " and resid "71 " and name "HG11")
OR {11399}
(segid " " and resid "71 " and name "HA ")
(segid " " and resid "71 " and name "HG13")
ASSI {11400}
(segid " " and resid "71 " and name "HA ")
(segid " " and resid "71 " and name "HG22")
3.300 3.300 0.000 peak 11400 weight 0.10000E+01 volume -0.22040E+01 ppm1 4.335 ppm2 0.847
OR {11400}
(segid " " and resid "71 " and name "HA ")
(segid " " and resid "71 " and name "HG21")
OR {11400}
(segid " " and resid "71 " and name "HA ")
(segid " " and resid "71 " and name "HG23")
ASSI {11403}
(segid " " and resid "71 " and name "HB ")
(segid " " and resid "71 " and name "HG21")
3.300 3.300 0.000 peak 11403 weight 0.10000E+01 volume 0.31160E+01 ppm1 2.051 ppm2 0.846
OR {11403}
(segid " " and resid "71 " and name "HB ")
(segid " " and resid "71 " and name "HG23")
OR {11403}
(segid " " and resid "71 " and name "HB ")
(segid " " and resid "71 " and name "HG22")
ASSI {11404}
(segid " " and resid "71 " and name "HG12")
(segid " " and resid "70 " and name "HA ")
6.000 6.000 0.000 peak 11404 weight 0.10000E+01 volume -0.11900E+00 ppm1 0.926 ppm2 5.142
OR {11404}
(segid " " and resid "71 " and name "HG13")
(segid " " and resid "70 " and name "HA ")
OR {11404}
(segid " " and resid "71 " and name "HG11")
(segid " " and resid "70 " and name "HA ")
ASSI {11406}
(segid " " and resid "71 " and name "HG12")
(segid " " and resid "71 " and name "HB ")
2.700 2.700 0.000 peak 11406 weight 0.10000E+01 volume -0.56130E+01 ppm1 0.926 ppm2 2.047
OR {11406}
(segid " " and resid "71 " and name "HG13")
(segid " " and resid "71 " and name "HB ")
OR {11406}
(segid " " and resid "71 " and name "HG11")
(segid " " and resid "71 " and name "HB ")
ASSI {11407}
(segid " " and resid "71 " and name "HG13")
(segid " " and resid "72 " and name "HA ")
6.000 6.000 0.000 peak 11407 weight 0.10000E+01 volume -0.17800E+00 ppm1 0.923 ppm2 4.994
OR {11407}
(segid " " and resid "71 " and name "HG12")
(segid " " and resid "72 " and name "HA ")
OR {11407}
(segid " " and resid "71 " and name "HG11")
(segid " " and resid "72 " and name "HA ")
ASSI {11408}
(segid " " and resid "71 " and name "HG12")
(segid " " and resid "78 " and name "HA ")
6.000 6.000 0.000 peak 11408 weight 0.10000E+01 volume 0.21000E-01 ppm1 0.930 ppm2 5.862
OR {11408}
(segid " " and resid "71 " and name "HG13")
(segid " " and resid "78 " and name "HA ")
OR {11408}
(segid " " and resid "71 " and name "HG11")
(segid " " and resid "78 " and name "HA ")
ASSI {11409}
(segid " " and resid "71 " and name "HG23")
(segid " " and resid "70 " and name "HA ")
6.000 6.000 0.000 peak 11409 weight 0.10000E+01 volume -0.86000E-01 ppm1 0.846 ppm2 5.142
OR {11409}
(segid " " and resid "71 " and name "HG22")
(segid " " and resid "70 " and name "HA ")
OR {11409}
(segid " " and resid "71 " and name "HG21")
(segid " " and resid "70 " and name "HA ")
ASSI {11412}
(segid " " and resid "71 " and name "HG21")
(segid " " and resid "72 " and name "HA ")
6.000 6.000 0.000 peak 11412 weight 0.10000E+01 volume -0.15400E+00 ppm1 0.846 ppm2 4.990
OR {11412}
(segid " " and resid "71 " and name "HG22")
(segid " " and resid "72 " and name "HA ")
OR {11412}
(segid " " and resid "71 " and name "HG23")
(segid " " and resid "72 " and name "HA ")
ASSI {11413}
(segid " " and resid "71 " and name "HG23")
(segid " " and resid "78 " and name "HA ")
6.000 6.000 0.000 peak 11413 weight 0.10000E+01 volume -0.25300E+00 ppm1 0.846 ppm2 5.854
OR {11413}
(segid " " and resid "71 " and name "HG22")
(segid " " and resid "78 " and name "HA ")
OR {11413}
(segid " " and resid "71 " and name "HG21")
(segid " " and resid "78 " and name "HA ")
ASSI {11414}
(segid " " and resid "71 " and name "HG23")
(segid " " and resid "78 " and name "HB1 ")
5.000 5.000 0.000 peak 11414 weight 0.10000E+01 volume -0.42900E+00 ppm1 0.849 ppm2 4.441
OR {11414}
(segid " " and resid "71 " and name "HG22")
(segid " " and resid "78 " and name "HB1 ")
OR {11414}
(segid " " and resid "71 " and name "HG21")
(segid " " and resid "78 " and name "HB1 ")
ASSI {11416}
(segid " " and resid "72 " and name "HA ")
(segid " " and resid "72 " and name "HB1 ")
5.000 5.000 0.000 peak 11416 weight 0.10000E+01 volume 0.11320E+01 ppm1 5.000 ppm2 1.976
ASSI {11417}
(segid " " and resid "72 " and name "HA ")
(segid " " and resid "72 " and name "HB2 ")
5.000 5.000 0.000 peak 11417 weight 0.10000E+01 volume 0.76400E+00 ppm1 4.998 ppm2 1.834
ASSI {11418}
(segid " " and resid "72 " and name "HA ")
(segid " " and resid "72 " and name "HG1 ")
5.000 5.000 0.000 peak 11418 weight 0.10000E+01 volume 0.12370E+01 ppm1 5.003 ppm2 2.249
OR {11418}
(segid " " and resid "72 " and name "HA ")
(segid " " and resid "72 " and name "HG2 ")
ASSI {11419}
(segid " " and resid "72 " and name "HA ")
(segid " " and resid "78 " and name "HA ")
5.000 5.000 0.000 peak 11419 weight 0.10000E+01 volume 0.54900E+00 ppm1 4.998 ppm2 5.861
ASSI {11422}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "72 " and name "HB1 ")
3.300 3.300 0.000 peak 11422 weight 0.10000E+01 volume 0.37590E+01 ppm1 1.830 ppm2 1.971
ASSI {11423}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "72 " and name "HG2 ")
3.300 3.300 0.000 peak 11423 weight 0.10000E+01 volume 0.22440E+01 ppm1 1.968 ppm2 2.244
OR {11423}
(segid " " and resid "72 " and name "HB1 ")
(segid " " and resid "72 " and name "HG1 ")
ASSI {11424}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "72 " and name "HG1 ")
5.000 5.000 0.000 peak 11424 weight 0.10000E+01 volume 0.15240E+01 ppm1 1.827 ppm2 2.244
OR {11424}
(segid " " and resid "72 " and name "HB2 ")
(segid " " and resid "72 " and name "HG2 ")
ASSI {11426}
(segid " " and resid "72 " and name "HG2 ")
(segid " " and resid "78 " and name "HA ")
6.000 6.000 0.000 peak 11426 weight 0.10000E+01 volume 0.16100E+00 ppm1 2.246 ppm2 5.856
OR {11426}
(segid " " and resid "72 " and name "HG1 ")
(segid " " and resid "78 " and name "HA ")
ASSI {11427}
(segid " " and resid "72 " and name "HG2 ")
(segid " " and resid "78 " and name "HB1 ")
5.000 5.000 0.000 peak 11427 weight 0.10000E+01 volume 0.99400E+00 ppm1 2.247 ppm2 4.475
OR {11427}
(segid " " and resid "72 " and name "HG1 ")
(segid " " and resid "78 " and name "HB1 ")
ASSI {11428}
(segid " " and resid "72 " and name "HG2 ")
(segid " " and resid "78 " and name "HB2 ")
5.000 5.000 0.000 peak 11428 weight 0.10000E+01 volume 0.80600E+00 ppm1 2.244 ppm2 4.299
OR {11428}
(segid " " and resid "72 " and name "HG1 ")
(segid " " and resid "78 " and name "HB2 ")
ASSI {11429}
(segid " " and resid "73 " and name "HA ")
(segid " " and resid "73 " and name "HB1 ")
5.000 5.000 0.000 peak 11429 weight 0.10000E+01 volume 0.12180E+01 ppm1 4.913 ppm2 3.514
ASSI {11430}
(segid " " and resid "73 " and name "HA ")
(segid " " and resid "73 " and name "HB2 ")
5.000 5.000 0.000 peak 11430 weight 0.10000E+01 volume 0.11440E+01 ppm1 4.921 ppm2 2.658
ASSI {11433}
(segid " " and resid "73 " and name "HB2 ")
(segid " " and resid "73 " and name "HB1 ")
5.000 5.000 0.000 peak 11433 weight 0.10000E+01 volume 0.10960E+01 ppm1 2.653 ppm2 3.525
ASSI {11435}
(segid " " and resid "75 " and name "HA ")
(segid " " and resid "75 " and name "HB1 ")
3.300 3.300 0.000 peak 11435 weight 0.10000E+01 volume 0.28650E+01 ppm1 4.661 ppm2 4.097
ASSI {11436}
(segid " " and resid "75 " and name "HA ")
(segid " " and resid "75 " and name "HB2 ")
3.300 3.300 0.000 peak 11436 weight 0.10000E+01 volume 0.32230E+01 ppm1 4.661 ppm2 4.017
ASSI {11439}
(segid " " and resid "76 " and name "HA2 ")
(segid " " and resid "76 " and name "HA1 ")
3.300 3.300 0.000 peak 11439 weight 0.10000E+01 volume 0.20190E+01 ppm1 3.780 ppm2 4.224
ASSI {11441}
(segid " " and resid "77 " and name "HA ")
(segid " " and resid "77 " and name "HB ")
5.000 5.000 0.000 peak 11441 weight 0.10000E+01 volume -0.82000E+00 ppm1 3.778 ppm2 4.250
ASSI {11445}
(segid " " and resid "77 " and name "HG23")
(segid " " and resid "77 " and name "HA ")
2.700 2.700 0.000 peak 11445 weight 0.10000E+01 volume -0.46680E+01 ppm1 1.246 ppm2 3.781
OR {11445}
(segid " " and resid "77 " and name "HG21")
(segid " " and resid "77 " and name "HA ")
OR {11445}
(segid " " and resid "77 " and name "HG22")
(segid " " and resid "77 " and name "HA ")
ASSI {11446}
(segid " " and resid "77 " and name "HG22")
(segid " " and resid "77 " and name "HB ")
2.700 2.700 0.000 peak 11446 weight 0.10000E+01 volume -0.48250E+01 ppm1 1.246 ppm2 4.235
OR {11446}
(segid " " and resid "77 " and name "HG21")
(segid " " and resid "77 " and name "HB ")
OR {11446}
(segid " " and resid "77 " and name "HG23")
(segid " " and resid "77 " and name "HB ")
ASSI {11449}
(segid " " and resid "78 " and name "HA ")
(segid " " and resid "78 " and name "HB2 ")
5.000 5.000 0.000 peak 11449 weight 0.10000E+01 volume 0.12030E+01 ppm1 5.862 ppm2 4.297
ASSI {11450}
(segid " " and resid "78 " and name "HB1 ")
(segid " " and resid "78 " and name "HA ")
5.000 5.000 0.000 peak 11450 weight 0.10000E+01 volume -0.51700E+00 ppm1 4.448 ppm2 5.863
ASSI {11453}
(segid " " and resid "78 " and name "HB1 ")
(segid " " and resid "78 " and name "HB2 ")
3.300 3.300 0.000 peak 11453 weight 0.10000E+01 volume -0.28630E+01 ppm1 4.448 ppm2 4.288
ASSI {11454}
(segid " " and resid "79 " and name "HA ")
(segid " " and resid "79 " and name "HB1 ")
5.000 5.000 0.000 peak 11454 weight 0.10000E+01 volume -0.86700E+00 ppm1 4.742 ppm2 2.447
ASSI {11455}
(segid " " and resid "79 " and name "HA ")
(segid " " and resid "79 " and name "HB2 ")
5.000 5.000 0.000 peak 11455 weight 0.10000E+01 volume -0.13910E+01 ppm1 4.742 ppm2 1.967
ASSI {11458}
(segid " " and resid "79 " and name "HB2 ")
(segid " " and resid "79 " and name "HB1 ")
5.000 5.000 0.000 peak 11458 weight 0.10000E+01 volume -0.15440E+01 ppm1 1.967 ppm2 2.447
ASSI {11460}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HB ")
5.000 5.000 0.000 peak 11460 weight 0.10000E+01 volume -0.14450E+01 ppm1 3.684 ppm2 1.913
ASSI {11462}
(segid " " and resid "80 " and name "HG23")
(segid " " and resid "80 " and name "HA ")
3.300 3.300 0.000 peak 11462 weight 0.10000E+01 volume -0.31420E+01 ppm1 0.830 ppm2 3.685
OR {11462}
(segid " " and resid "80 " and name "HG22")
(segid " " and resid "80 " and name "HA ")
OR {11462}
(segid " " and resid "80 " and name "HG21")
(segid " " and resid "80 " and name "HA ")
ASSI {11463}
(segid " " and resid "80 " and name "HG21")
(segid " " and resid "80 " and name "HB ")
2.700 2.700 0.000 peak 11463 weight 0.10000E+01 volume -0.50770E+01 ppm1 0.828 ppm2 1.914
OR {11463}
(segid " " and resid "80 " and name "HG23")
(segid " " and resid "80 " and name "HB ")
OR {11463}
(segid " " and resid "80 " and name "HG22")
(segid " " and resid "80 " and name "HB ")
ASSI {11464}
(segid " " and resid "81 " and name "HA ")
(segid " " and resid "81 " and name "HB2 ")
5.000 5.000 0.000 peak 11464 weight 0.10000E+01 volume -0.82200E+00 ppm1 3.888 ppm2 3.271
ASSI {11465}
(segid " " and resid "81 " and name "HA ")
(segid " " and resid "81 " and name "HD2 ")
6.000 6.000 0.000 peak 11465 weight 0.10000E+01 volume -0.29900E+00 ppm1 3.893 ppm2 6.514
ASSI {11466}
(segid " " and resid "81 " and name "HB2 ")
(segid " " and resid "81 " and name "HB1 ")
5.000 5.000 0.000 peak 11466 weight 0.10000E+01 volume -0.74900E+00 ppm1 3.274 ppm2 3.771
ASSI {11468}
(segid " " and resid "81 " and name "HB1 ")
(segid " " and resid "81 " and name "HD2 ")
6.000 6.000 0.000 peak 11468 weight 0.10000E+01 volume -0.16900E+00 ppm1 3.768 ppm2 6.516
ASSI {11473}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "115 " and name "HD12")
5.000 5.000 0.000 peak 11473 weight 0.10000E+01 volume -0.12120E+01 ppm1 6.530 ppm2 1.225
OR {11473}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "115 " and name "HD13")
OR {11473}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "115 " and name "HD11")
ASSI {11474}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "115 " and name "HD21")
6.000 6.000 0.000 peak 11474 weight 0.10000E+01 volume -0.97000E-01 ppm1 6.530 ppm2 0.969
OR {11474}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "115 " and name "HD22")
OR {11474}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "115 " and name "HD23")
ASSI {11475}
(segid " " and resid "81 " and name "HD2 ")
(segid " " and resid "115 " and name "HG ")
6.000 6.000 0.000 peak 11475 weight 0.10000E+01 volume -0.89000E-01 ppm1 6.529 ppm2 2.029
ASSI {11476}
(segid " " and resid "81 " and name "HE1 ")
(segid " " and resid "104 " and name "HB1 ")
5.000 5.000 0.000 peak 11476 weight 0.10000E+01 volume -0.15840E+01 ppm1 7.454 ppm2 1.326
OR {11476}
(segid " " and resid "81 " and name "HE1 ")
(segid " " and resid "104 " and name "HB3 ")
OR {11476}
(segid " " and resid "81 " and name "HE1 ")
(segid " " and resid "104 " and name "HB2 ")
ASSI {11477}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "82 " and name "HB1 ")
5.000 5.000 0.000 peak 11477 weight 0.10000E+01 volume 0.11280E+01 ppm1 4.448 ppm2 2.297
ASSI {11478}
(segid " " and resid "82 " and name "HA ")
(segid " " and resid "82 " and name "HB2 ")
5.000 5.000 0.000 peak 11478 weight 0.10000E+01 volume 0.18080E+01 ppm1 4.445 ppm2 1.951
ASSI {11481}
(segid " " and resid "82 " and name "HB2 ")
(segid " " and resid "82 " and name "HB1 ")
5.000 5.000 0.000 peak 11481 weight 0.10000E+01 volume 0.15780E+01 ppm1 1.956 ppm2 2.289
ASSI {11483}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "84 " and name "HB2 ")
2.700 2.700 0.000 peak 11483 weight 0.10000E+01 volume 0.48570E+01 ppm1 4.001 ppm2 1.453
OR {11483}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "84 " and name "HB3 ")
OR {11483}
(segid " " and resid "84 " and name "HA ")
(segid " " and resid "84 " and name "HB1 ")
ASSI {11485}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "85 " and name "HB1 ")
5.000 5.000 0.000 peak 11485 weight 0.10000E+01 volume 0.18080E+01 ppm1 3.752 ppm2 2.054
OR {11485}
(segid " " and resid "85 " and name "HA ")
(segid " " and resid "85 " and name "HB2 ")
ASSI {11487}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HG22")
3.300 3.300 0.000 peak 11487 weight 0.10000E+01 volume -0.29430E+01 ppm1 4.332 ppm2 1.331
OR {11487}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HG21")
OR {11487}
(segid " " and resid "86 " and name "HA ")
(segid " " and resid "86 " and name "HG23")
ASSI {11488}
(segid " " and resid "86 " and name "HB ")
(segid " " and resid "86 " and name "HG23")
3.300 3.300 0.000 peak 11488 weight 0.10000E+01 volume -0.22410E+01 ppm1 4.368 ppm2 1.334
OR {11488}
(segid " " and resid "86 " and name "HB ")
(segid " " and resid "86 " and name "HG21")
OR {11488}
(segid " " and resid "86 " and name "HB ")
(segid " " and resid "86 " and name "HG22")
ASSI {11489}
(segid " " and resid "87 " and name "HA2 ")
(segid " " and resid "87 " and name "HA1 ")
5.000 5.000 0.000 peak 11489 weight 0.10000E+01 volume 0.17700E+01 ppm1 2.570 ppm2 2.765
ASSI {11491}
(segid " " and resid "88 " and name "HA ")
(segid " " and resid "88 " and name "HB1 ")
5.000 5.000 0.000 peak 11491 weight 0.10000E+01 volume 0.90300E+00 ppm1 4.658 ppm2 3.445
ASSI {11492}
(segid " " and resid "88 " and name "HA ")
(segid " " and resid "88 " and name "HB2 ")
5.000 5.000 0.000 peak 11492 weight 0.10000E+01 volume 0.13540E+01 ppm1 4.660 ppm2 2.541
ASSI {11493}
(segid " " and resid "88 " and name "HA ")
(segid " " and resid "88 " and name "HD2 ")
5.000 5.000 0.000 peak 11493 weight 0.10000E+01 volume 0.10220E+01 ppm1 4.663 ppm2 7.437
OR {11493}
(segid " " and resid "88 " and name "HA ")
(segid " " and resid "88 " and name "HD1 ")
ASSI {11496}
(segid " " and resid "88 " and name "HB2 ")
(segid " " and resid "88 " and name "HB1 ")
5.000 5.000 0.000 peak 11496 weight 0.10000E+01 volume 0.59000E+00 ppm1 2.533 ppm2 3.434
ASSI {11498}
(segid " " and resid "88 " and name "HB1 ")
(segid " " and resid "88 " and name "HD2 ")
6.000 6.000 0.000 peak 11498 weight 0.10000E+01 volume 0.24600E+00 ppm1 3.452 ppm2 7.435
OR {11498}
(segid " " and resid "88 " and name "HB1 ")
(segid " " and resid "88 " and name "HD1 ")
ASSI {11499}
(segid " " and resid "88 " and name "HB2 ")
(segid " " and resid "88 " and name "HD1 ")
6.000 6.000 0.000 peak 11499 weight 0.10000E+01 volume 0.27200E+00 ppm1 2.535 ppm2 7.441
OR {11499}
(segid " " and resid "88 " and name "HB2 ")
(segid " " and resid "88 " and name "HD2 ")
ASSI {11503}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "89 " and name "HB1 ")
5.000 5.000 0.000 peak 11503 weight 0.10000E+01 volume 0.91300E+00 ppm1 3.725 ppm2 1.827
ASSI {11504}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "89 " and name "HD23")
3.300 3.300 0.000 peak 11504 weight 0.10000E+01 volume 0.26440E+01 ppm1 3.716 ppm2 0.605
OR {11504}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "89 " and name "HD21")
OR {11504}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "89 " and name "HD22")
ASSI {11505}
(segid " " and resid "89 " and name "HA ")
(segid " " and resid "89 " and name "HG ")
5.000 5.000 0.000 peak 11505 weight 0.10000E+01 volume 0.13900E+01 ppm1 3.712 ppm2 1.283
ASSI {11507}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HA ")
5.000 5.000 0.000 peak 11507 weight 0.10000E+01 volume 0.50300E+00 ppm1 1.237 ppm2 3.728
ASSI {11508}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HB1 ")
5.000 5.000 0.000 peak 11508 weight 0.10000E+01 volume 0.16440E+01 ppm1 1.228 ppm2 1.817
ASSI {11509}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HD11")
5.000 5.000 0.000 peak 11509 weight 0.10000E+01 volume 0.18530E+01 ppm1 1.825 ppm2 0.820
OR {11509}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HD12")
OR {11509}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HD13")
ASSI {11510}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HD11")
5.000 5.000 0.000 peak 11510 weight 0.10000E+01 volume 0.10390E+01 ppm1 1.233 ppm2 0.823
OR {11510}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HD12")
OR {11510}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HD13")
ASSI {11511}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HD23")
5.000 5.000 0.000 peak 11511 weight 0.10000E+01 volume 0.81300E+00 ppm1 1.822 ppm2 0.609
OR {11511}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HD21")
OR {11511}
(segid " " and resid "89 " and name "HB1 ")
(segid " " and resid "89 " and name "HD22")
ASSI {11512}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HD22")
5.000 5.000 0.000 peak 11512 weight 0.10000E+01 volume 0.77700E+00 ppm1 1.235 ppm2 0.604
OR {11512}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HD23")
OR {11512}
(segid " " and resid "89 " and name "HB2 ")
(segid " " and resid "89 " and name "HD21")
ASSI {11513}
(segid " " and resid "89 " and name "HD13")
(segid " " and resid "89 " and name "HD21")
2.700 2.700 0.000 peak 11513 weight 0.10000E+01 volume -0.70620E+01 ppm1 0.819 ppm2 0.605
OR {11513}
(segid " " and resid "89 " and name "HD11")
(segid " " and resid "89 " and name "HD21")
OR {11513}
(segid " " and resid "89 " and name "HD13")
(segid " " and resid "89 " and name "HD22")
OR {11513}
(segid " " and resid "89 " and name "HD11")
(segid " " and resid "89 " and name "HD23")
OR {11513}
(segid " " and resid "89 " and name "HD11")
(segid " " and resid "89 " and name "HD22")
OR {11513}
(segid " " and resid "89 " and name "HD12")
(segid " " and resid "89 " and name "HD22")
OR {11513}
(segid " " and resid "89 " and name "HD12")
(segid " " and resid "89 " and name "HD23")
OR {11513}
(segid " " and resid "89 " and name "HD13")
(segid " " and resid "89 " and name "HD23")
OR {11513}
(segid " " and resid "89 " and name "HD12")
(segid " " and resid "89 " and name "HD21")
ASSI {11514}
(segid " " and resid "89 " and name "HD13")
(segid " " and resid "89 " and name "HG ")
2.700 2.700 0.000 peak 11514 weight 0.10000E+01 volume -0.72340E+01 ppm1 0.819 ppm2 1.299
OR {11514}
(segid " " and resid "89 " and name "HD12")
(segid " " and resid "89 " and name "HG ")
OR {11514}
(segid " " and resid "89 " and name "HD11")
(segid " " and resid "89 " and name "HG ")
ASSI {11517}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "89 " and name "HG ")
3.300 3.300 0.000 peak 11517 weight 0.10000E+01 volume -0.33820E+01 ppm1 0.605 ppm2 1.299
OR {11517}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "89 " and name "HG ")
OR {11517}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "89 " and name "HG ")
ASSI {11518}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "92 " and name "HB1 ")
5.000 5.000 0.000 peak 11518 weight 0.10000E+01 volume -0.61600E+00 ppm1 0.605 ppm2 2.073
OR {11518}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "92 " and name "HB1 ")
OR {11518}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "92 " and name "HB1 ")
ASSI {11519}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "127 " and name "HA ")
5.000 5.000 0.000 peak 11519 weight 0.10000E+01 volume -0.13020E+01 ppm1 0.606 ppm2 4.300
OR {11519}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "127 " and name "HA ")
OR {11519}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "127 " and name "HA ")
ASSI {11520}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "127 " and name "HB1 ")
5.000 5.000 0.000 peak 11520 weight 0.10000E+01 volume -0.76200E+00 ppm1 0.605 ppm2 3.415
OR {11520}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "127 " and name "HB1 ")
OR {11520}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "127 " and name "HB1 ")
ASSI {11521}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "127 " and name "HB2 ")
5.000 5.000 0.000 peak 11521 weight 0.10000E+01 volume -0.59000E+00 ppm1 0.604 ppm2 2.948
OR {11521}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "127 " and name "HB2 ")
OR {11521}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "127 " and name "HB2 ")
ASSI {11522}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "127 " and name "HD1 ")
5.000 5.000 0.000 peak 11522 weight 0.10000E+01 volume -0.48800E+00 ppm1 0.605 ppm2 7.120
OR {11522}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "127 " and name "HD1 ")
OR {11522}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "127 " and name "HD1 ")
OR {11522}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "127 " and name "HD2 ")
OR {11522}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "127 " and name "HD2 ")
OR {11522}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "127 " and name "HD2 ")
ASSI {11523}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "127 " and name "HE1 ")
6.000 6.000 0.000 peak 11523 weight 0.10000E+01 volume -0.22300E+00 ppm1 0.608 ppm2 7.226
OR {11523}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "127 " and name "HE1 ")
OR {11523}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "127 " and name "HE1 ")
OR {11523}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "127 " and name "HE2 ")
OR {11523}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "127 " and name "HE2 ")
OR {11523}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "127 " and name "HE2 ")
ASSI {11526}
(segid " " and resid "90 " and name "HA ")
(segid " " and resid "90 " and name "HB1 ")
5.000 5.000 0.000 peak 11526 weight 0.10000E+01 volume 0.15490E+01 ppm1 4.257 ppm2 2.751
ASSI {11527}
(segid " " and resid "90 " and name "HA ")
(segid " " and resid "90 " and name "HB2 ")
5.000 5.000 0.000 peak 11527 weight 0.10000E+01 volume 0.19080E+01 ppm1 4.257 ppm2 2.578
ASSI {11532}
(segid " " and resid "90 " and name "HB2 ")
(segid " " and resid "90 " and name "HB1 ")
3.300 3.300 0.000 peak 11532 weight 0.10000E+01 volume 0.26780E+01 ppm1 2.576 ppm2 2.751
ASSI {11534}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HB ")
5.000 5.000 0.000 peak 11534 weight 0.10000E+01 volume -0.57500E+00 ppm1 3.762 ppm2 4.205
ASSI {11535}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HG21")
3.300 3.300 0.000 peak 11535 weight 0.10000E+01 volume -0.32490E+01 ppm1 3.758 ppm2 1.138
OR {11535}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HG23")
OR {11535}
(segid " " and resid "91 " and name "HA ")
(segid " " and resid "91 " and name "HG22")
ASSI {11537}
(segid " " and resid "91 " and name "HB ")
(segid " " and resid "91 " and name "HG21")
3.300 3.300 0.000 peak 11537 weight 0.10000E+01 volume -0.21200E+01 ppm1 4.208 ppm2 1.139
OR {11537}
(segid " " and resid "91 " and name "HB ")
(segid " " and resid "91 " and name "HG23")
OR {11537}
(segid " " and resid "91 " and name "HB ")
(segid " " and resid "91 " and name "HG22")
ASSI {11540}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "92 " and name "HA ")
5.000 5.000 0.000 peak 11540 weight 0.10000E+01 volume 0.54500E+00 ppm1 2.077 ppm2 3.881
ASSI {11541}
(segid " " and resid "92 " and name "HB2 ")
(segid " " and resid "92 " and name "HA ")
5.000 5.000 0.000 peak 11541 weight 0.10000E+01 volume 0.90300E+00 ppm1 1.381 ppm2 3.879
ASSI {11543}
(segid " " and resid "92 " and name "HB1 ")
(segid " " and resid "92 " and name "HB2 ")
3.300 3.300 0.000 peak 11543 weight 0.10000E+01 volume 0.23710E+01 ppm1 2.081 ppm2 1.380
ASSI {11544}
(segid " " and resid "92 " and name "HD12")
(segid " " and resid "92 " and name "HA ")
5.000 5.000 0.000 peak 11544 weight 0.10000E+01 volume -0.12560E+01 ppm1 0.951 ppm2 3.872
OR {11544}
(segid " " and resid "92 " and name "HD13")
(segid " " and resid "92 " and name "HA ")
OR {11544}
(segid " " and resid "92 " and name "HD11")
(segid " " and resid "92 " and name "HA ")
ASSI {11545}
(segid " " and resid "92 " and name "HD13")
(segid " " and resid "92 " and name "HB1 ")
3.300 3.300 0.000 peak 11545 weight 0.10000E+01 volume -0.26050E+01 ppm1 0.961 ppm2 2.074
OR {11545}
(segid " " and resid "92 " and name "HD11")
(segid " " and resid "92 " and name "HB1 ")
OR {11545}
(segid " " and resid "92 " and name "HD12")
(segid " " and resid "92 " and name "HB1 ")
ASSI {11546}
(segid " " and resid "92 " and name "HD11")
(segid " " and resid "92 " and name "HG ")
5.000 5.000 0.000 peak 11546 weight 0.10000E+01 volume -0.18380E+01 ppm1 0.958 ppm2 1.627
OR {11546}
(segid " " and resid "92 " and name "HD13")
(segid " " and resid "92 " and name "HG ")
OR {11546}
(segid " " and resid "92 " and name "HD12")
(segid " " and resid "92 " and name "HG ")
ASSI {11547}
(segid " " and resid "92 " and name "HD21")
(segid " " and resid "92 " and name "HA ")
3.300 3.300 0.000 peak 11547 weight 0.10000E+01 volume -0.32230E+01 ppm1 1.010 ppm2 3.874
OR {11547}
(segid " " and resid "92 " and name "HD22")
(segid " " and resid "92 " and name "HA ")
OR {11547}
(segid " " and resid "92 " and name "HD23")
(segid " " and resid "92 " and name "HA ")
ASSI {11548}
(segid " " and resid "92 " and name "HD21")
(segid " " and resid "92 " and name "HB1 ")
3.300 3.300 0.000 peak 11548 weight 0.10000E+01 volume -0.22640E+01 ppm1 1.006 ppm2 2.078
OR {11548}
(segid " " and resid "92 " and name "HD22")
(segid " " and resid "92 " and name "HB1 ")
OR {11548}
(segid " " and resid "92 " and name "HD23")
(segid " " and resid "92 " and name "HB1 ")
ASSI {11549}
(segid " " and resid "92 " and name "HG ")
(segid " " and resid "92 " and name "HA ")
5.000 5.000 0.000 peak 11549 weight 0.10000E+01 volume -0.15730E+01 ppm1 1.625 ppm2 3.887
ASSI {11550}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "93 " and name "HB1 ")
5.000 5.000 0.000 peak 11550 weight 0.10000E+01 volume -0.16820E+01 ppm1 3.701 ppm2 1.753
ASSI {11551}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "93 " and name "HB2 ")
5.000 5.000 0.000 peak 11551 weight 0.10000E+01 volume -0.17270E+01 ppm1 3.701 ppm2 1.673
ASSI {11552}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "127 " and name "HE1 ")
5.000 5.000 0.000 peak 11552 weight 0.10000E+01 volume -0.60200E+00 ppm1 3.701 ppm2 7.224
OR {11552}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "127 " and name "HE2 ")
ASSI {11553}
(segid " " and resid "93 " and name "HA ")
(segid " " and resid "127 " and name "HZ ")
5.000 5.000 0.000 peak 11553 weight 0.10000E+01 volume -0.61500E+00 ppm1 3.708 ppm2 7.331
ASSI {11556}
(segid " " and resid "93 " and name "HB1 ")
(segid " " and resid "93 " and name "HD2 ")
5.000 5.000 0.000 peak 11556 weight 0.10000E+01 volume -0.16780E+01 ppm1 1.761 ppm2 1.459
OR {11556}
(segid " " and resid "93 " and name "HB1 ")
(segid " " and resid "93 " and name "HD1 ")
ASSI {11557}
(segid " " and resid "93 " and name "HB1 ")
(segid " " and resid "93 " and name "HE1 ")
6.000 6.000 0.000 peak 11557 weight 0.10000E+01 volume -0.25100E+00 ppm1 1.763 ppm2 2.740
ASSI {11558}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "93 " and name "HE1 ")
6.000 6.000 0.000 peak 11558 weight 0.10000E+01 volume -0.19800E+00 ppm1 1.673 ppm2 2.740
ASSI {11559}
(segid " " and resid "93 " and name "HB2 ")
(segid " " and resid "93 " and name "HE2 ")
5.000 5.000 0.000 peak 11559 weight 0.10000E+01 volume -0.54200E+00 ppm1 1.673 ppm2 2.607
ASSI {11560}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HA ")
5.000 5.000 0.000 peak 11560 weight 0.10000E+01 volume -0.57400E+00 ppm1 1.455 ppm2 3.711
OR {11560}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "93 " and name "HA ")
ASSI {11561}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "93 " and name "HE1 ")
5.000 5.000 0.000 peak 11561 weight 0.10000E+01 volume -0.11900E+01 ppm1 1.452 ppm2 2.730
OR {11561}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HE1 ")
ASSI {11562}
(segid " " and resid "93 " and name "HD1 ")
(segid " " and resid "93 " and name "HE2 ")
5.000 5.000 0.000 peak 11562 weight 0.10000E+01 volume -0.11030E+01 ppm1 1.442 ppm2 2.592
OR {11562}
(segid " " and resid "93 " and name "HD2 ")
(segid " " and resid "93 " and name "HE2 ")
ASSI {11563}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "93 " and name "HA ")
6.000 6.000 0.000 peak 11563 weight 0.10000E+01 volume 0.10900E+00 ppm1 2.735 ppm2 3.712
ASSI {11564}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "93 " and name "HA ")
6.000 6.000 0.000 peak 11564 weight 0.10000E+01 volume 0.11100E+00 ppm1 2.590 ppm2 3.721
ASSI {11566}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "93 " and name "HB1 ")
6.000 6.000 0.000 peak 11566 weight 0.10000E+01 volume 0.24800E+00 ppm1 2.581 ppm2 1.775
ASSI {11571}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "93 " and name "HE2 ")
2.700 2.700 0.000 peak 11571 weight 0.10000E+01 volume 0.75080E+01 ppm1 2.743 ppm2 2.591
ASSI {11572}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "93 " and name "HG1 ")
5.000 5.000 0.000 peak 11572 weight 0.10000E+01 volume 0.49900E+00 ppm1 2.730 ppm2 1.092
ASSI {11573}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "93 " and name "HG1 ")
5.000 5.000 0.000 peak 11573 weight 0.10000E+01 volume 0.52300E+00 ppm1 2.583 ppm2 1.088
ASSI {11574}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "93 " and name "HG2 ")
5.000 5.000 0.000 peak 11574 weight 0.10000E+01 volume 0.72600E+00 ppm1 2.737 ppm2 0.612
ASSI {11575}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "93 " and name "HG2 ")
5.000 5.000 0.000 peak 11575 weight 0.10000E+01 volume 0.86600E+00 ppm1 2.585 ppm2 0.610
ASSI {11576}
(segid " " and resid "93 " and name "HG1 ")
(segid " " and resid "93 " and name "HA ")
5.000 5.000 0.000 peak 11576 weight 0.10000E+01 volume -0.11170E+01 ppm1 1.099 ppm2 3.713
ASSI {11577}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HA ")
5.000 5.000 0.000 peak 11577 weight 0.10000E+01 volume -0.60700E+00 ppm1 0.631 ppm2 3.713
ASSI {11578}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HB1 ")
5.000 5.000 0.000 peak 11578 weight 0.10000E+01 volume -0.88700E+00 ppm1 0.632 ppm2 1.761
ASSI {11579}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HB2 ")
5.000 5.000 0.000 peak 11579 weight 0.10000E+01 volume -0.81500E+00 ppm1 0.632 ppm2 1.673
ASSI {11580}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HD1 ")
5.000 5.000 0.000 peak 11580 weight 0.10000E+01 volume -0.96600E+00 ppm1 0.630 ppm2 1.453
OR {11580}
(segid " " and resid "93 " and name "HG2 ")
(segid " " and resid "93 " and name "HD2 ")
ASSI {11585}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "94 " and name "HB ")
3.300 3.300 0.000 peak 11585 weight 0.10000E+01 volume -0.21650E+01 ppm1 4.048 ppm2 2.260
ASSI {11586}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "94 " and name "HG11")
3.300 3.300 0.000 peak 11586 weight 0.10000E+01 volume -0.21770E+01 ppm1 4.048 ppm2 1.193
OR {11586}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "94 " and name "HG12")
OR {11586}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "94 " and name "HG13")
ASSI {11587}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "94 " and name "HG22")
3.300 3.300 0.000 peak 11587 weight 0.10000E+01 volume -0.21450E+01 ppm1 4.048 ppm2 0.979
OR {11587}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "94 " and name "HG23")
OR {11587}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "94 " and name "HG21")
ASSI {11589}
(segid " " and resid "94 " and name "HB ")
(segid " " and resid "94 " and name "HG12")
3.300 3.300 0.000 peak 11589 weight 0.10000E+01 volume -0.33190E+01 ppm1 2.260 ppm2 1.195
OR {11589}
(segid " " and resid "94 " and name "HB ")
(segid " " and resid "94 " and name "HG13")
OR {11589}
(segid " " and resid "94 " and name "HB ")
(segid " " and resid "94 " and name "HG11")
ASSI {11592}
(segid " " and resid "94 " and name "HG13")
(segid " " and resid "94 " and name "HG22")
2.700 2.700 0.000 peak 11592 weight 0.10000E+01 volume -0.13686E+02 ppm1 1.193 ppm2 0.966
OR {11592}
(segid " " and resid "94 " and name "HG12")
(segid " " and resid "94 " and name "HG22")
OR {11592}
(segid " " and resid "94 " and name "HG11")
(segid " " and resid "94 " and name "HG23")
OR {11592}
(segid " " and resid "94 " and name "HG11")
(segid " " and resid "94 " and name "HG21")
OR {11592}
(segid " " and resid "94 " and name "HG11")
(segid " " and resid "94 " and name "HG22")
OR {11592}
(segid " " and resid "94 " and name "HG12")
(segid " " and resid "94 " and name "HG23")
OR {11592}
(segid " " and resid "94 " and name "HG12")
(segid " " and resid "94 " and name "HG21")
OR {11592}
(segid " " and resid "94 " and name "HG13")
(segid " " and resid "94 " and name "HG21")
OR {11592}
(segid " " and resid "94 " and name "HG13")
(segid " " and resid "94 " and name "HG23")
ASSI {11593}
(segid " " and resid "94 " and name "HG23")
(segid " " and resid "94 " and name "HB ")
2.700 2.700 0.000 peak 11593 weight 0.10000E+01 volume -0.48500E+01 ppm1 0.975 ppm2 2.265
OR {11593}
(segid " " and resid "94 " and name "HG21")
(segid " " and resid "94 " and name "HB ")
OR {11593}
(segid " " and resid "94 " and name "HG22")
(segid " " and resid "94 " and name "HB ")
ASSI {11594}
(segid " " and resid "95 " and name "HA ")
(segid " " and resid "95 " and name "HB2 ")
5.000 5.000 0.000 peak 11594 weight 0.10000E+01 volume 0.18810E+01 ppm1 3.918 ppm2 1.168
ASSI {11596}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HB1 ")
5.000 5.000 0.000 peak 11596 weight 0.10000E+01 volume 0.74100E+00 ppm1 1.167 ppm2 2.260
ASSI {11598}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HD11")
5.000 5.000 0.000 peak 11598 weight 0.10000E+01 volume 0.81900E+00 ppm1 2.260 ppm2 0.770
OR {11598}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HD13")
OR {11598}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HD12")
ASSI {11599}
(segid " " and resid "95 " and name "HB1 ")
(segid " " and resid "95 " and name "HG ")
5.000 5.000 0.000 peak 11599 weight 0.10000E+01 volume 0.51200E+00 ppm1 2.264 ppm2 1.748
ASSI {11600}
(segid " " and resid "95 " and name "HB2 ")
(segid " " and resid "95 " and name "HG ")
5.000 5.000 0.000 peak 11600 weight 0.10000E+01 volume 0.56000E+00 ppm1 1.163 ppm2 1.731
ASSI {11605}
(segid " " and resid "95 " and name "HG ")
(segid " " and resid "95 " and name "HA ")
5.000 5.000 0.000 peak 11605 weight 0.10000E+01 volume -0.16210E+01 ppm1 1.753 ppm2 3.915
ASSI {11606}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HB ")
5.000 5.000 0.000 peak 11606 weight 0.10000E+01 volume -0.89300E+00 ppm1 3.761 ppm2 2.342
ASSI {11607}
(segid " " and resid "96 " and name "HG13")
(segid " " and resid "96 " and name "HB ")
3.300 3.300 0.000 peak 11607 weight 0.10000E+01 volume -0.32200E+01 ppm1 1.139 ppm2 2.340
OR {11607}
(segid " " and resid "96 " and name "HG11")
(segid " " and resid "96 " and name "HB ")
OR {11607}
(segid " " and resid "96 " and name "HG12")
(segid " " and resid "96 " and name "HB ")
ASSI {11608}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "96 " and name "HB ")
3.300 3.300 0.000 peak 11608 weight 0.10000E+01 volume -0.33700E+01 ppm1 1.113 ppm2 2.340
OR {11608}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "96 " and name "HB ")
OR {11608}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "96 " and name "HB ")
ASSI {11609}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "127 " and name "HD1 ")
6.000 6.000 0.000 peak 11609 weight 0.10000E+01 volume -0.22500E+00 ppm1 1.118 ppm2 7.124
OR {11609}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "127 " and name "HD2 ")
OR {11609}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "127 " and name "HD2 ")
OR {11609}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "127 " and name "HD1 ")
OR {11609}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "127 " and name "HD1 ")
OR {11609}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "127 " and name "HD2 ")
ASSI {11610}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "127 " and name "HE1 ")
5.000 5.000 0.000 peak 11610 weight 0.10000E+01 volume -0.68300E+00 ppm1 1.124 ppm2 7.215
OR {11610}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "127 " and name "HE2 ")
OR {11610}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "127 " and name "HE2 ")
OR {11610}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "127 " and name "HE1 ")
OR {11610}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "127 " and name "HE2 ")
OR {11610}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "127 " and name "HE1 ")
ASSI {11611}
(segid " " and resid "96 " and name "HG23")
(segid " " and resid "127 " and name "HZ ")
5.000 5.000 0.000 peak 11611 weight 0.10000E+01 volume -0.63500E+00 ppm1 1.113 ppm2 7.332
OR {11611}
(segid " " and resid "96 " and name "HG21")
(segid " " and resid "127 " and name "HZ ")
OR {11611}
(segid " " and resid "96 " and name "HG22")
(segid " " and resid "127 " and name "HZ ")
ASSI {11612}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "97 " and name "HA ")
3.300 3.300 0.000 peak 11612 weight 0.10000E+01 volume -0.25220E+01 ppm1 2.020 ppm2 4.102
ASSI {11613}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "97 " and name "HB1 ")
2.700 2.700 0.000 peak 11613 weight 0.10000E+01 volume -0.71440E+01 ppm1 2.020 ppm2 2.260
ASSI {11614}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "97 " and name "HG1 ")
3.300 3.300 0.000 peak 11614 weight 0.10000E+01 volume -0.37460E+01 ppm1 2.020 ppm2 2.420
ASSI {11615}
(segid " " and resid "97 " and name "HG1 ")
(segid " " and resid "97 " and name "HA ")
5.000 5.000 0.000 peak 11615 weight 0.10000E+01 volume 0.81500E+00 ppm1 2.410 ppm2 4.095
ASSI {11616}
(segid " " and resid "97 " and name "HG2 ")
(segid " " and resid "97 " and name "HA ")
5.000 5.000 0.000 peak 11616 weight 0.10000E+01 volume 0.90500E+00 ppm1 2.088 ppm2 4.105
ASSI {11617}
(segid " " and resid "98 " and name "HA ")
(segid " " and resid "98 " and name "HB1 ")
5.000 5.000 0.000 peak 11617 weight 0.10000E+01 volume 0.94100E+00 ppm1 4.579 ppm2 3.711
ASSI {11618}
(segid " " and resid "98 " and name "HA ")
(segid " " and resid "98 " and name "HB2 ")
5.000 5.000 0.000 peak 11618 weight 0.10000E+01 volume 0.76600E+00 ppm1 4.582 ppm2 2.845
ASSI {11620}
(segid " " and resid "98 " and name "HB1 ")
(segid " " and resid "98 " and name "HB2 ")
5.000 5.000 0.000 peak 11620 weight 0.10000E+01 volume -0.30700E+00 ppm1 3.722 ppm2 2.855
ASSI {11621}
(segid " " and resid "99 " and name "HA2 ")
(segid " " and resid "99 " and name "HA1 ")
5.000 5.000 0.000 peak 11621 weight 0.10000E+01 volume 0.19240E+01 ppm1 3.844 ppm2 4.340
ASSI {11623}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "69 " and name "HG1 ")
5.000 5.000 0.000 peak 11623 weight 0.10000E+01 volume 0.33000E+00 ppm1 4.234 ppm2 2.127
ASSI {11624}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "69 " and name "HG2 ")
5.000 5.000 0.000 peak 11624 weight 0.10000E+01 volume 0.65000E+00 ppm1 4.226 ppm2 1.835
ASSI {11625}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "100 " and name "HB1 ")
3.300 3.300 0.000 peak 11625 weight 0.10000E+01 volume 0.30610E+01 ppm1 4.230 ppm2 1.131
OR {11625}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "100 " and name "HB2 ")
OR {11625}
(segid " " and resid "100 " and name "HA ")
(segid " " and resid "100 " and name "HB3 ")
ASSI {11626}
(segid " " and resid "101 " and name "HA ")
(segid " " and resid "101 " and name "HB1 ")
5.000 5.000 0.000 peak 11626 weight 0.10000E+01 volume 0.13730E+01 ppm1 4.647 ppm2 2.768
ASSI {11627}
(segid " " and resid "101 " and name "HA ")
(segid " " and resid "101 " and name "HB2 ")
5.000 5.000 0.000 peak 11627 weight 0.10000E+01 volume 0.19000E+01 ppm1 4.648 ppm2 2.649
ASSI {11630}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HB ")
3.300 3.300 0.000 peak 11630 weight 0.10000E+01 volume -0.21430E+01 ppm1 3.888 ppm2 2.207
ASSI {11631}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HG11")
2.700 2.700 0.000 peak 11631 weight 0.10000E+01 volume -0.76540E+01 ppm1 3.888 ppm2 0.872
OR {11631}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HG12")
OR {11631}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HG22")
OR {11631}
(segid " " and resid "102 " and name "HA ")
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OR {11631}
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(segid " " and resid "102 " and name "HG21")
OR {11631}
(segid " " and resid "102 " and name "HA ")
(segid " " and resid "102 " and name "HG23")
ASSI {11633}
(segid " " and resid "102 " and name "HG11")
(segid " " and resid "102 " and name "HA ")
2.700 2.700 0.000 peak 11633 weight 0.10000E+01 volume -0.73440E+01 ppm1 0.872 ppm2 3.892
OR {11633}
(segid " " and resid "102 " and name "HG12")
(segid " " and resid "102 " and name "HA ")
OR {11633}
(segid " " and resid "102 " and name "HG13")
(segid " " and resid "102 " and name "HA ")
ASSI {11634}
(segid " " and resid "102 " and name "HG12")
(segid " " and resid "102 " and name "HB ")
2.700 2.700 0.000 peak 11634 weight 0.10000E+01 volume -0.50540E+01 ppm1 0.879 ppm2 2.207
OR {11634}
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(segid " " and resid "102 " and name "HB ")
OR {11634}
(segid " " and resid "102 " and name "HG13")
(segid " " and resid "102 " and name "HB ")
ASSI {11635}
(segid " " and resid "102 " and name "HG13")
(segid " " and resid "132 " and name "HA ")
6.000 6.000 0.000 peak 11635 weight 0.10000E+01 volume -0.24200E+00 ppm1 0.878 ppm2 5.102
OR {11635}
(segid " " and resid "102 " and name "HG11")
(segid " " and resid "132 " and name "HA ")
OR {11635}
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(segid " " and resid "132 " and name "HA ")
ASSI {11636}
(segid " " and resid "102 " and name "HG22")
(segid " " and resid "102 " and name "HA ")
5.000 5.000 0.000 peak 11636 weight 0.10000E+01 volume -0.12230E+01 ppm1 0.872 ppm2 3.888
OR {11636}
(segid " " and resid "102 " and name "HG21")
(segid " " and resid "102 " and name "HA ")
OR {11636}
(segid " " and resid "102 " and name "HG23")
(segid " " and resid "102 " and name "HA ")
ASSI {11637}
(segid " " and resid "102 " and name "HG21")
(segid " " and resid "102 " and name "HB ")
3.300 3.300 0.000 peak 11637 weight 0.10000E+01 volume -0.32430E+01 ppm1 0.868 ppm2 2.207
OR {11637}
(segid " " and resid "102 " and name "HG23")
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OR {11637}
(segid " " and resid "102 " and name "HG22")
(segid " " and resid "102 " and name "HB ")
ASSI {11638}
(segid " " and resid "102 " and name "HG23")
(segid " " and resid "132 " and name "HA ")
5.000 5.000 0.000 peak 11638 weight 0.10000E+01 volume -0.73200E+00 ppm1 0.860 ppm2 5.099
OR {11638}
(segid " " and resid "102 " and name "HG21")
(segid " " and resid "132 " and name "HA ")
OR {11638}
(segid " " and resid "102 " and name "HG22")
(segid " " and resid "132 " and name "HA ")
ASSI {11639}
(segid " " and resid "103 " and name "HA ")
(segid " " and resid "103 " and name "HB1 ")
5.000 5.000 0.000 peak 11639 weight 0.10000E+01 volume 0.50900E+00 ppm1 5.338 ppm2 2.951
ASSI {11640}
(segid " " and resid "103 " and name "HA ")
(segid " " and resid "103 " and name "HB2 ")
5.000 5.000 0.000 peak 11640 weight 0.10000E+01 volume 0.38500E+00 ppm1 5.345 ppm2 2.572
ASSI {11643}
(segid " " and resid "104 " and name "HA ")
(segid " " and resid "104 " and name "HB3 ")
2.700 2.700 0.000 peak 11643 weight 0.10000E+01 volume 0.48150E+01 ppm1 4.151 ppm2 1.325
OR {11643}
(segid " " and resid "104 " and name "HA ")
(segid " " and resid "104 " and name "HB1 ")
OR {11643}
(segid " " and resid "104 " and name "HA ")
(segid " " and resid "104 " and name "HB2 ")
ASSI {11644}
(segid " " and resid "104 " and name "HA ")
(segid " " and resid "105 " and name "HD22")
6.000 6.000 0.000 peak 11644 weight 0.10000E+01 volume 0.10300E+00 ppm1 4.154 ppm2 0.395
OR {11644}
(segid " " and resid "104 " and name "HA ")
(segid " " and resid "105 " and name "HD23")
OR {11644}
(segid " " and resid "104 " and name "HA ")
(segid " " and resid "105 " and name "HD21")
ASSI {11646}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "101 " and name "HB1 ")
5.000 5.000 0.000 peak 11646 weight 0.10000E+01 volume -0.34800E+00 ppm1 1.326 ppm2 2.781
OR {11646}
(segid " " and resid "104 " and name "HB1 ")
(segid " " and resid "101 " and name "HB1 ")
OR {11646}
(segid " " and resid "104 " and name "HB3 ")
(segid " " and resid "101 " and name "HB1 ")
ASSI {11647}
(segid " " and resid "104 " and name "HB3 ")
(segid " " and resid "101 " and name "HB2 ")
5.000 5.000 0.000 peak 11647 weight 0.10000E+01 volume -0.34900E+00 ppm1 1.326 ppm2 2.665
OR {11647}
(segid " " and resid "104 " and name "HB2 ")
(segid " " and resid "101 " and name "HB2 ")
OR {11647}
(segid " " and resid "104 " and name "HB1 ")
(segid " " and resid "101 " and name "HB2 ")
ASSI {11649}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HB1 ")
5.000 5.000 0.000 peak 11649 weight 0.10000E+01 volume 0.74200E+00 ppm1 4.935 ppm2 1.822
ASSI {11650}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HB2 ")
5.000 5.000 0.000 peak 11650 weight 0.10000E+01 volume 0.88500E+00 ppm1 4.938 ppm2 1.295
ASSI {11651}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD13")
5.000 5.000 0.000 peak 11651 weight 0.10000E+01 volume 0.64100E+00 ppm1 4.932 ppm2 0.843
OR {11651}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD11")
OR {11651}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD12")
ASSI {11652}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD21")
3.300 3.300 0.000 peak 11652 weight 0.10000E+01 volume 0.23820E+01 ppm1 4.937 ppm2 0.391
OR {11652}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD23")
OR {11652}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HD22")
ASSI {11653}
(segid " " and resid "105 " and name "HA ")
(segid " " and resid "105 " and name "HG ")
5.000 5.000 0.000 peak 11653 weight 0.10000E+01 volume 0.49100E+00 ppm1 4.939 ppm2 1.651
ASSI {11656}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HB1 ")
5.000 5.000 0.000 peak 11656 weight 0.10000E+01 volume 0.13490E+01 ppm1 1.283 ppm2 1.808
ASSI {11659}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HD11")
6.000 6.000 0.000 peak 11659 weight 0.10000E+01 volume -0.19700E+00 ppm1 1.276 ppm2 0.836
OR {11659}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HD13")
OR {11659}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HD12")
ASSI {11660}
(segid " " and resid "105 " and name "HB1 ")
(segid " " and resid "105 " and name "HD23")
5.000 5.000 0.000 peak 11660 weight 0.10000E+01 volume 0.52000E+00 ppm1 1.815 ppm2 0.391
OR {11660}
(segid " " and resid "105 " and name "HB1 ")
(segid " " and resid "105 " and name "HD21")
OR {11660}
(segid " " and resid "105 " and name "HB1 ")
(segid " " and resid "105 " and name "HD22")
ASSI {11661}
(segid " " and resid "105 " and name "HB2 ")
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5.000 5.000 0.000 peak 11661 weight 0.10000E+01 volume 0.48000E+00 ppm1 1.282 ppm2 0.388
OR {11661}
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OR {11661}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HD22")
ASSI {11662}
(segid " " and resid "105 " and name "HB1 ")
(segid " " and resid "105 " and name "HG ")
6.000 6.000 0.000 peak 11662 weight 0.10000E+01 volume 0.19200E+00 ppm1 1.821 ppm2 1.649
ASSI {11663}
(segid " " and resid "105 " and name "HB2 ")
(segid " " and resid "105 " and name "HG ")
6.000 6.000 0.000 peak 11663 weight 0.10000E+01 volume -0.80000E-01 ppm1 1.283 ppm2 1.637
ASSI {11665}
(segid " " and resid "105 " and name "HD12")
(segid " " and resid "105 " and name "HB1 ")
2.700 2.700 0.000 peak 11665 weight 0.10000E+01 volume -0.73730E+01 ppm1 0.840 ppm2 1.829
OR {11665}
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OR {11665}
(segid " " and resid "105 " and name "HD11")
(segid " " and resid "105 " and name "HB1 ")
ASSI {11666}
(segid " " and resid "105 " and name "HD11")
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3.300 3.300 0.000 peak 11666 weight 0.10000E+01 volume -0.27640E+01 ppm1 0.846 ppm2 0.393
OR {11666}
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(segid " " and resid "105 " and name "HD22")
OR {11666}
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OR {11666}
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OR {11666}
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OR {11666}
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OR {11666}
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OR {11666}
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OR {11666}
(segid " " and resid "105 " and name "HD13")
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ASSI {11667}
(segid " " and resid "105 " and name "HD13")
(segid " " and resid "105 " and name "HG ")
2.700 2.700 0.000 peak 11667 weight 0.10000E+01 volume -0.56200E+01 ppm1 0.842 ppm2 1.664
OR {11667}
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(segid " " and resid "105 " and name "HG ")
OR {11667}
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(segid " " and resid "105 " and name "HG ")
ASSI {11673}
(segid " " and resid "105 " and name "HD21")
(segid " " and resid "105 " and name "HG ")
5.000 5.000 0.000 peak 11673 weight 0.10000E+01 volume -0.16610E+01 ppm1 0.392 ppm2 1.653
OR {11673}
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(segid " " and resid "105 " and name "HG ")
OR {11673}
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(segid " " and resid "105 " and name "HG ")
ASSI {11674}
(segid " " and resid "105 " and name "HD23")
(segid " " and resid "109 " and name "HA1 ")
6.000 6.000 0.000 peak 11674 weight 0.10000E+01 volume -0.19100E+00 ppm1 0.392 ppm2 4.300
OR {11674}
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(segid " " and resid "109 " and name "HA1 ")
OR {11674}
(segid " " and resid "105 " and name "HD22")
(segid " " and resid "109 " and name "HA1 ")
ASSI {11675}
(segid " " and resid "105 " and name "HD21")
(segid " " and resid "109 " and name "HA2 ")
6.000 6.000 0.000 peak 11675 weight 0.10000E+01 volume -0.13200E+00 ppm1 0.392 ppm2 3.808
OR {11675}
(segid " " and resid "105 " and name "HD23")
(segid " " and resid "109 " and name "HA2 ")
OR {11675}
(segid " " and resid "105 " and name "HD22")
(segid " " and resid "109 " and name "HA2 ")
ASSI {11676}
(segid " " and resid "105 " and name "HD23")
(segid " " and resid "111 " and name "HA ")
6.000 6.000 0.000 peak 11676 weight 0.10000E+01 volume -0.29300E+00 ppm1 0.392 ppm2 5.293
OR {11676}
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OR {11676}
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(segid " " and resid "111 " and name "HA ")
ASSI {11678}
(segid " " and resid "105 " and name "HD21")
(segid " " and resid "111 " and name "HG ")
5.000 5.000 0.000 peak 11678 weight 0.10000E+01 volume -0.54500E+00 ppm1 0.392 ppm2 1.967
OR {11678}
(segid " " and resid "105 " and name "HD22")
(segid " " and resid "111 " and name "HG ")
OR {11678}
(segid " " and resid "105 " and name "HD23")
(segid " " and resid "111 " and name "HG ")
ASSI {11679}
(segid " " and resid "105 " and name "HD22")
(segid " " and resid "136 " and name "HD2 ")
6.000 6.000 0.000 peak 11679 weight 0.10000E+01 volume -0.19800E+00 ppm1 0.392 ppm2 6.744
OR {11679}
(segid " " and resid "105 " and name "HD21")
(segid " " and resid "136 " and name "HD2 ")
OR {11679}
(segid " " and resid "105 " and name "HD23")
(segid " " and resid "136 " and name "HD2 ")
ASSI {11682}
(segid " " and resid "106 " and name "HA ")
(segid " " and resid "106 " and name "HB1 ")
5.000 5.000 0.000 peak 11682 weight 0.10000E+01 volume 0.94700E+00 ppm1 4.927 ppm2 2.899
ASSI {11683}
(segid " " and resid "106 " and name "HA ")
(segid " " and resid "106 " and name "HB2 ")
5.000 5.000 0.000 peak 11683 weight 0.10000E+01 volume 0.99200E+00 ppm1 4.910 ppm2 1.363
ASSI {11686}
(segid " " and resid "106 " and name "HB2 ")
(segid " " and resid "106 " and name "HB1 ")
5.000 5.000 0.000 peak 11686 weight 0.10000E+01 volume 0.96100E+00 ppm1 1.369 ppm2 2.885
ASSI {11688}
(segid " " and resid "107 " and name "HA ")
(segid " " and resid "107 " and name "HB2 ")
2.700 2.700 0.000 peak 11688 weight 0.10000E+01 volume -0.79930E+01 ppm1 4.288 ppm2 4.021
OR {11688}
(segid " " and resid "107 " and name "HA ")
(segid " " and resid "107 " and name "HB1 ")
ASSI {11690}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "108 " and name "HG21")
3.300 3.300 0.000 peak 11690 weight 0.10000E+01 volume -0.30370E+01 ppm1 4.622 ppm2 1.151
OR {11690}
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(segid " " and resid "108 " and name "HG23")
OR {11690}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "108 " and name "HG22")
ASSI {11691}
(segid " " and resid "108 " and name "HB ")
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3.300 3.300 0.000 peak 11691 weight 0.10000E+01 volume -0.33770E+01 ppm1 4.555 ppm2 1.145
OR {11691}
(segid " " and resid "108 " and name "HB ")
(segid " " and resid "108 " and name "HG22")
OR {11691}
(segid " " and resid "108 " and name "HB ")
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ASSI {11694}
(segid " " and resid "109 " and name "HA2 ")
(segid " " and resid "109 " and name "HA1 ")
3.300 3.300 0.000 peak 11694 weight 0.10000E+01 volume 0.23930E+01 ppm1 3.803 ppm2 4.315
ASSI {11696}
(segid " " and resid "110 " and name "HA ")
(segid " " and resid "110 " and name "HB2 ")
5.000 5.000 0.000 peak 11696 weight 0.10000E+01 volume -0.14420E+01 ppm1 4.075 ppm2 3.701
ASSI {11698}
(segid " " and resid "111 " and name "HA ")
(segid " " and resid "111 " and name "HB1 ")
6.000 6.000 0.000 peak 11698 weight 0.10000E+01 volume 0.12300E+00 ppm1 5.284 ppm2 2.438
ASSI {11699}
(segid " " and resid "111 " and name "HA ")
(segid " " and resid "111 " and name "HB2 ")
5.000 5.000 0.000 peak 11699 weight 0.10000E+01 volume 0.42600E+00 ppm1 5.284 ppm2 1.965
ASSI {11703}
(segid " " and resid "111 " and name "HB2 ")
(segid " " and resid "111 " and name "HB1 ")
5.000 5.000 0.000 peak 11703 weight 0.10000E+01 volume 0.41400E+00 ppm1 1.992 ppm2 2.445
ASSI {11704}
(segid " " and resid "111 " and name "HB1 ")
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OR {11704}
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OR {11704}
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(segid " " and resid "111 " and name "HD11")
ASSI {11705}
(segid " " and resid "111 " and name "HB1 ")
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OR {11705}
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OR {11705}
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(segid " " and resid "111 " and name "HD21")
ASSI {11707}
(segid " " and resid "111 " and name "HD12")
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OR {11707}
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OR {11707}
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OR {11707}
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OR {11707}
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OR {11707}
(segid " " and resid "111 " and name "HD11")
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OR {11707}
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(segid " " and resid "105 " and name "HD21")
OR {11707}
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OR {11707}
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ASSI {11709}
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OR {11709}
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ASSI {11710}
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OR {11710}
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ASSI {11711}
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(segid " " and resid "111 " and name "HA ")
3.300 3.300 0.000 peak 11711 weight 0.10000E+01 volume -0.27880E+01 ppm1 0.963 ppm2 5.276
OR {11711}
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(segid " " and resid "111 " and name "HA ")
OR {11711}
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(segid " " and resid "111 " and name "HA ")
ASSI {11712}
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OR {11712}
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(segid " " and resid "111 " and name "HD12")
OR {11712}
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OR {11712}
(segid " " and resid "111 " and name "HD23")
(segid " " and resid "111 " and name "HD13")
OR {11712}
(segid " " and resid "111 " and name "HD22")
(segid " " and resid "111 " and name "HD12")
OR {11712}
(segid " " and resid "111 " and name "HD23")
(segid " " and resid "111 " and name "HD12")
OR {11712}
(segid " " and resid "111 " and name "HD22")
(segid " " and resid "111 " and name "HD13")
OR {11712}
(segid " " and resid "111 " and name "HD23")
(segid " " and resid "111 " and name "HD11")
OR {11712}
(segid " " and resid "111 " and name "HD22")
(segid " " and resid "111 " and name "HD11")
ASSI {11713}
(segid " " and resid "111 " and name "HD22")
(segid " " and resid "114 " and name "HE1 ")
6.000 6.000 0.000 peak 11713 weight 0.10000E+01 volume -0.24900E+00 ppm1 0.964 ppm2 7.823
OR {11713}
(segid " " and resid "111 " and name "HD21")
(segid " " and resid "114 " and name "HE1 ")
OR {11713}
(segid " " and resid "111 " and name "HD23")
(segid " " and resid "114 " and name "HE1 ")
ASSI {11714}
(segid " " and resid "111 " and name "HD21")
(segid " " and resid "136 " and name "HD2 ")
6.000 6.000 0.000 peak 11714 weight 0.10000E+01 volume -0.29800E+00 ppm1 0.971 ppm2 6.744
OR {11714}
(segid " " and resid "111 " and name "HD23")
(segid " " and resid "136 " and name "HD2 ")
OR {11714}
(segid " " and resid "111 " and name "HD22")
(segid " " and resid "136 " and name "HD2 ")
ASSI {11716}
(segid " " and resid "111 " and name "HG ")
(segid " " and resid "111 " and name "HA ")
6.000 6.000 0.000 peak 11716 weight 0.10000E+01 volume -0.13300E+00 ppm1 1.967 ppm2 5.302
ASSI {11717}
(segid " " and resid "111 " and name "HG ")
(segid " " and resid "111 " and name "HD11")
5.000 5.000 0.000 peak 11717 weight 0.10000E+01 volume -0.16190E+01 ppm1 1.967 ppm2 1.193
OR {11717}
(segid " " and resid "111 " and name "HG ")
(segid " " and resid "111 " and name "HD13")
OR {11717}
(segid " " and resid "111 " and name "HG ")
(segid " " and resid "111 " and name "HD12")
ASSI {11718}
(segid " " and resid "111 " and name "HG ")
(segid " " and resid "114 " and name "HE1 ")
6.000 6.000 0.000 peak 11718 weight 0.10000E+01 volume -0.13200E+00 ppm1 1.967 ppm2 7.836
ASSI {11719}
(segid " " and resid "111 " and name "HG ")
(segid " " and resid "136 " and name "HD2 ")
6.000 6.000 0.000 peak 11719 weight 0.10000E+01 volume -0.22700E+00 ppm1 1.971 ppm2 6.745
ASSI {11720}
(segid " " and resid "112 " and name "HA ")
(segid " " and resid "81 " and name "HD2 ")
5.000 5.000 0.000 peak 11720 weight 0.10000E+01 volume -0.62300E+00 ppm1 4.134 ppm2 6.515
ASSI {11722}
(segid " " and resid "112 " and name "HB1 ")
(segid " " and resid "112 " and name "HA ")
3.300 3.300 0.000 peak 11722 weight 0.10000E+01 volume -0.24190E+01 ppm1 1.993 ppm2 4.128
ASSI {11723}
(segid " " and resid "112 " and name "HD2 ")
(segid " " and resid "112 " and name "HD1 ")
5.000 5.000 0.000 peak 11723 weight 0.10000E+01 volume 0.46300E+00 ppm1 3.964 ppm2 4.289
ASSI {11726}
(segid " " and resid "113 " and name "HA ")
(segid " " and resid "113 " and name "HB ")
5.000 5.000 0.000 peak 11726 weight 0.10000E+01 volume -0.12880E+01 ppm1 3.835 ppm2 1.735
ASSI {11729}
(segid " " and resid "113 " and name "HB ")
(segid " " and resid "113 " and name "HG11")
5.000 5.000 0.000 peak 11729 weight 0.10000E+01 volume 0.73900E+00 ppm1 1.734 ppm2 1.455
ASSI {11730}
(segid " " and resid "113 " and name "HB ")
(segid " " and resid "113 " and name "HG12")
5.000 5.000 0.000 peak 11730 weight 0.10000E+01 volume 0.55700E+00 ppm1 1.735 ppm2 1.354
ASSI {11731}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "113 " and name "HA ")
5.000 5.000 0.000 peak 11731 weight 0.10000E+01 volume -0.16650E+01 ppm1 0.739 ppm2 3.846
OR {11731}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "113 " and name "HA ")
OR {11731}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "113 " and name "HA ")
ASSI {11732}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "113 " and name "HB ")
3.300 3.300 0.000 peak 11732 weight 0.10000E+01 volume -0.25800E+01 ppm1 0.741 ppm2 1.739
OR {11732}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "113 " and name "HB ")
OR {11732}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "113 " and name "HB ")
ASSI {11733}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "113 " and name "HG11")
5.000 5.000 0.000 peak 11733 weight 0.10000E+01 volume -0.19240E+01 ppm1 0.744 ppm2 1.446
OR {11733}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "113 " and name "HG11")
OR {11733}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "113 " and name "HG11")
ASSI {11734}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "113 " and name "HG12")
5.000 5.000 0.000 peak 11734 weight 0.10000E+01 volume -0.16370E+01 ppm1 0.741 ppm2 1.335
OR {11734}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "113 " and name "HG12")
OR {11734}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "113 " and name "HG12")
ASSI {11737}
(segid " " and resid "113 " and name "HG11")
(segid " " and resid "113 " and name "HA ")
5.000 5.000 0.000 peak 11737 weight 0.10000E+01 volume -0.44000E+00 ppm1 1.439 ppm2 3.835
ASSI {11738}
(segid " " and resid "113 " and name "HG12")
(segid " " and resid "113 " and name "HA ")
5.000 5.000 0.000 peak 11738 weight 0.10000E+01 volume -0.33000E+00 ppm1 1.326 ppm2 3.835
ASSI {11739}
(segid " " and resid "113 " and name "HG23")
(segid " " and resid "113 " and name "HA ")
5.000 5.000 0.000 peak 11739 weight 0.10000E+01 volume -0.80000E+00 ppm1 0.739 ppm2 3.838
OR {11739}
(segid " " and resid "113 " and name "HG22")
(segid " " and resid "113 " and name "HA ")
OR {11739}
(segid " " and resid "113 " and name "HG21")
(segid " " and resid "113 " and name "HA ")
ASSI {11740}
(segid " " and resid "113 " and name "HG23")
(segid " " and resid "113 " and name "HB ")
3.300 3.300 0.000 peak 11740 weight 0.10000E+01 volume -0.26640E+01 ppm1 0.750 ppm2 1.736
OR {11740}
(segid " " and resid "113 " and name "HG21")
(segid " " and resid "113 " and name "HB ")
OR {11740}
(segid " " and resid "113 " and name "HG22")
(segid " " and resid "113 " and name "HB ")
ASSI {11741}
(segid " " and resid "113 " and name "HG23")
(segid " " and resid "113 " and name "HG12")
5.000 5.000 0.000 peak 11741 weight 0.10000E+01 volume -0.91800E+00 ppm1 0.739 ppm2 1.326
OR {11741}
(segid " " and resid "113 " and name "HG21")
(segid " " and resid "113 " and name "HG12")
OR {11741}
(segid " " and resid "113 " and name "HG22")
(segid " " and resid "113 " and name "HG12")
ASSI {11742}
(segid " " and resid "114 " and name "HA ")
(segid " " and resid "114 " and name "HB1 ")
5.000 5.000 0.000 peak 11742 weight 0.10000E+01 volume -0.17020E+01 ppm1 3.976 ppm2 3.656
ASSI {11743}
(segid " " and resid "114 " and name "HA ")
(segid " " and resid "114 " and name "HB2 ")
5.000 5.000 0.000 peak 11743 weight 0.10000E+01 volume -0.10750E+01 ppm1 3.978 ppm2 3.511
ASSI {11744}
(segid " " and resid "114 " and name "HA ")
(segid " " and resid "114 " and name "HD2 ")
6.000 6.000 0.000 peak 11744 weight 0.10000E+01 volume -0.26000E+00 ppm1 3.968 ppm2 6.957
ASSI {11746}
(segid " " and resid "114 " and name "HB2 ")
(segid " " and resid "114 " and name "HB1 ")
5.000 5.000 0.000 peak 11746 weight 0.10000E+01 volume -0.43800E+00 ppm1 3.507 ppm2 3.693
ASSI {11747}
(segid " " and resid "114 " and name "HB1 ")
(segid " " and resid "114 " and name "HD2 ")
6.000 6.000 0.000 peak 11747 weight 0.10000E+01 volume -0.13200E+00 ppm1 3.691 ppm2 6.954
ASSI {11748}
(segid " " and resid "114 " and name "HB2 ")
(segid " " and resid "114 " and name "HD2 ")
6.000 6.000 0.000 peak 11748 weight 0.10000E+01 volume -0.13700E+00 ppm1 3.506 ppm2 6.958
ASSI {11754}
(segid " " and resid "114 " and name "HE1 ")
(segid " " and resid "111 " and name "HD12")
5.000 5.000 0.000 peak 11754 weight 0.10000E+01 volume -0.33100E+00 ppm1 7.825 ppm2 1.200
OR {11754}
(segid " " and resid "114 " and name "HE1 ")
(segid " " and resid "111 " and name "HD11")
OR {11754}
(segid " " and resid "114 " and name "HE1 ")
(segid " " and resid "111 " and name "HD13")
ASSI {11756}
(segid " " and resid "114 " and name "HE1 ")
(segid " " and resid "136 " and name "HD2 ")
5.000 5.000 0.000 peak 11756 weight 0.10000E+01 volume -0.93600E+00 ppm1 7.826 ppm2 6.742
ASSI {11757}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HB1 ")
5.000 5.000 0.000 peak 11757 weight 0.10000E+01 volume 0.12340E+01 ppm1 4.064 ppm2 2.210
ASSI {11758}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HB2 ")
5.000 5.000 0.000 peak 11758 weight 0.10000E+01 volume 0.12790E+01 ppm1 4.064 ppm2 1.384
ASSI {11759}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HD11")
5.000 5.000 0.000 peak 11759 weight 0.10000E+01 volume 0.78900E+00 ppm1 4.057 ppm2 1.222
OR {11759}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HD12")
OR {11759}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HD13")
ASSI {11760}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HD23")
3.300 3.300 0.000 peak 11760 weight 0.10000E+01 volume 0.33200E+01 ppm1 4.064 ppm2 0.960
OR {11760}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HD22")
OR {11760}
(segid " " and resid "115 " and name "HA ")
(segid " " and resid "115 " and name "HD21")
ASSI {11763}
(segid " " and resid "115 " and name "HB2 ")
(segid " " and resid "115 " and name "HB1 ")
5.000 5.000 0.000 peak 11763 weight 0.10000E+01 volume 0.89800E+00 ppm1 1.395 ppm2 2.208
ASSI {11765}
(segid " " and resid "115 " and name "HB2 ")
(segid " " and resid "115 " and name "HD12")
5.000 5.000 0.000 peak 11765 weight 0.10000E+01 volume 0.75600E+00 ppm1 1.389 ppm2 1.229
OR {11765}
(segid " " and resid "115 " and name "HB2 ")
(segid " " and resid "115 " and name "HD13")
OR {11765}
(segid " " and resid "115 " and name "HB2 ")
(segid " " and resid "115 " and name "HD11")
ASSI {11766}
(segid " " and resid "115 " and name "HB1 ")
(segid " " and resid "115 " and name "HD23")
5.000 5.000 0.000 peak 11766 weight 0.10000E+01 volume 0.12280E+01 ppm1 2.215 ppm2 0.954
OR {11766}
(segid " " and resid "115 " and name "HB1 ")
(segid " " and resid "115 " and name "HD21")
OR {11766}
(segid " " and resid "115 " and name "HB1 ")
(segid " " and resid "115 " and name "HD22")
ASSI {11767}
(segid " " and resid "115 " and name "HB2 ")
(segid " " and resid "115 " and name "HG ")
5.000 5.000 0.000 peak 11767 weight 0.10000E+01 volume 0.82700E+00 ppm1 1.400 ppm2 2.053
ASSI {11770}
(segid " " and resid "115 " and name "HD12")
(segid " " and resid "115 " and name "HB1 ")
5.000 5.000 0.000 peak 11770 weight 0.10000E+01 volume -0.10130E+01 ppm1 1.218 ppm2 2.224
OR {11770}
(segid " " and resid "115 " and name "HD13")
(segid " " and resid "115 " and name "HB1 ")
OR {11770}
(segid " " and resid "115 " and name "HD11")
(segid " " and resid "115 " and name "HB1 ")
ASSI {11771}
(segid " " and resid "115 " and name "HD11")
(segid " " and resid "115 " and name "HD23")
2.700 2.700 0.000 peak 11771 weight 0.10000E+01 volume -0.74730E+01 ppm1 1.219 ppm2 0.963
OR {11771}
(segid " " and resid "115 " and name "HD11")
(segid " " and resid "115 " and name "HD22")
OR {11771}
(segid " " and resid "115 " and name "HD11")
(segid " " and resid "115 " and name "HD21")
OR {11771}
(segid " " and resid "115 " and name "HD12")
(segid " " and resid "115 " and name "HD21")
OR {11771}
(segid " " and resid "115 " and name "HD13")
(segid " " and resid "115 " and name "HD23")
OR {11771}
(segid " " and resid "115 " and name "HD12")
(segid " " and resid "115 " and name "HD22")
OR {11771}
(segid " " and resid "115 " and name "HD13")
(segid " " and resid "115 " and name "HD21")
OR {11771}
(segid " " and resid "115 " and name "HD12")
(segid " " and resid "115 " and name "HD23")
OR {11771}
(segid " " and resid "115 " and name "HD13")
(segid " " and resid "115 " and name "HD22")
ASSI {11773}
(segid " " and resid "115 " and name "HG ")
(segid " " and resid "115 " and name "HD11")
5.000 5.000 0.000 peak 11773 weight 0.10000E+01 volume -0.19790E+01 ppm1 2.021 ppm2 1.227
OR {11773}
(segid " " and resid "115 " and name "HG ")
(segid " " and resid "115 " and name "HD13")
OR {11773}
(segid " " and resid "115 " and name "HG ")
(segid " " and resid "115 " and name "HD12")
ASSI {11774}
(segid " " and resid "115 " and name "HG ")
(segid " " and resid "115 " and name "HD21")
3.300 3.300 0.000 peak 11774 weight 0.10000E+01 volume -0.25700E+01 ppm1 2.024 ppm2 0.960
OR {11774}
(segid " " and resid "115 " and name "HG ")
(segid " " and resid "115 " and name "HD22")
OR {11774}
(segid " " and resid "115 " and name "HG ")
(segid " " and resid "115 " and name "HD23")
ASSI {11775}
(segid " " and resid "116 " and name "HA ")
(segid " " and resid "116 " and name "HB3 ")
2.700 2.700 0.000 peak 11775 weight 0.10000E+01 volume 0.11826E+02 ppm1 4.148 ppm2 1.492
OR {11775}
(segid " " and resid "116 " and name "HA ")
(segid " " and resid "116 " and name "HB1 ")
OR {11775}
(segid " " and resid "116 " and name "HA ")
(segid " " and resid "116 " and name "HB2 ")
ASSI {11776}
(segid " " and resid "116 " and name "HA ")
(segid " " and resid "121 " and name "HD2 ")
5.000 5.000 0.000 peak 11776 weight 0.10000E+01 volume 0.78500E+00 ppm1 4.153 ppm2 7.257
ASSI {11778}
(segid " " and resid "116 " and name "HB3 ")
(segid " " and resid "121 " and name "HD2 ")
5.000 5.000 0.000 peak 11778 weight 0.10000E+01 volume -0.43500E+00 ppm1 1.486 ppm2 7.257
OR {11778}
(segid " " and resid "116 " and name "HB1 ")
(segid " " and resid "121 " and name "HD2 ")
OR {11778}
(segid " " and resid "116 " and name "HB2 ")
(segid " " and resid "121 " and name "HD2 ")
ASSI {11779}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "117 " and name "HB ")
5.000 5.000 0.000 peak 11779 weight 0.10000E+01 volume -0.10420E+01 ppm1 3.514 ppm2 2.063
ASSI {11780}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "117 " and name "HD11")
5.000 5.000 0.000 peak 11780 weight 0.10000E+01 volume -0.15230E+01 ppm1 3.514 ppm2 0.899
OR {11780}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "117 " and name "HD13")
OR {11780}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "117 " and name "HD12")
ASSI {11781}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "117 " and name "HG22")
3.300 3.300 0.000 peak 11781 weight 0.10000E+01 volume -0.23140E+01 ppm1 3.514 ppm2 0.766
OR {11781}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "117 " and name "HG23")
OR {11781}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "117 " and name "HG21")
ASSI {11783}
(segid " " and resid "117 " and name "HB ")
(segid " " and resid "117 " and name "HD12")
3.300 3.300 0.000 peak 11783 weight 0.10000E+01 volume 0.22580E+01 ppm1 2.053 ppm2 0.894
OR {11783}
(segid " " and resid "117 " and name "HB ")
(segid " " and resid "117 " and name "HD13")
OR {11783}
(segid " " and resid "117 " and name "HB ")
(segid " " and resid "117 " and name "HD11")
ASSI {11784}
(segid " " and resid "117 " and name "HB ")
(segid " " and resid "117 " and name "HG21")
5.000 5.000 0.000 peak 11784 weight 0.10000E+01 volume 0.18250E+01 ppm1 2.066 ppm2 0.770
OR {11784}
(segid " " and resid "117 " and name "HB ")
(segid " " and resid "117 " and name "HG23")
OR {11784}
(segid " " and resid "117 " and name "HB ")
(segid " " and resid "117 " and name "HG22")
ASSI {11786}
(segid " " and resid "117 " and name "HD12")
(segid " " and resid "117 " and name "HG12")
2.700 2.700 0.000 peak 11786 weight 0.10000E+01 volume -0.14142E+02 ppm1 0.899 ppm2 0.766
OR {11786}
(segid " " and resid "117 " and name "HD11")
(segid " " and resid "117 " and name "HG12")
OR {11786}
(segid " " and resid "117 " and name "HD13")
(segid " " and resid "117 " and name "HG12")
ASSI {11787}
(segid " " and resid "117 " and name "HG11")
(segid " " and resid "117 " and name "HA ")
5.000 5.000 0.000 peak 11787 weight 0.10000E+01 volume -0.69000E+00 ppm1 2.060 ppm2 3.497
ASSI {11788}
(segid " " and resid "117 " and name "HG12")
(segid " " and resid "117 " and name "HA ")
6.000 6.000 0.000 peak 11788 weight 0.10000E+01 volume -0.23400E+00 ppm1 0.766 ppm2 3.514
ASSI {11789}
(segid " " and resid "117 " and name "HG11")
(segid " " and resid "117 " and name "HD11")
3.300 3.300 0.000 peak 11789 weight 0.10000E+01 volume -0.32440E+01 ppm1 2.066 ppm2 0.895
OR {11789}
(segid " " and resid "117 " and name "HG11")
(segid " " and resid "117 " and name "HD13")
OR {11789}
(segid " " and resid "117 " and name "HG11")
(segid " " and resid "117 " and name "HD12")
ASSI {11791}
(segid " " and resid "117 " and name "HG12")
(segid " " and resid "117 " and name "HG11")
5.000 5.000 0.000 peak 11791 weight 0.10000E+01 volume -0.70600E+00 ppm1 0.776 ppm2 2.064
ASSI {11792}
(segid " " and resid "117 " and name "HG11")
(segid " " and resid "117 " and name "HG22")
3.300 3.300 0.000 peak 11792 weight 0.10000E+01 volume -0.21300E+01 ppm1 2.070 ppm2 0.770
OR {11792}
(segid " " and resid "117 " and name "HG11")
(segid " " and resid "117 " and name "HG21")
OR {11792}
(segid " " and resid "117 " and name "HG11")
(segid " " and resid "117 " and name "HG23")
ASSI {11794}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "117 " and name "HD12")
2.700 2.700 0.000 peak 11794 weight 0.10000E+01 volume -0.63420E+01 ppm1 0.771 ppm2 0.903
OR {11794}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "117 " and name "HD11")
OR {11794}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "117 " and name "HD11")
OR {11794}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "117 " and name "HD12")
OR {11794}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "117 " and name "HD11")
OR {11794}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "117 " and name "HD13")
OR {11794}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "117 " and name "HD12")
OR {11794}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "117 " and name "HD13")
OR {11794}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "117 " and name "HD13")
ASSI {11796}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "151 " and name "HD1 ")
6.000 6.000 0.000 peak 11796 weight 0.10000E+01 volume -0.23800E+00 ppm1 0.776 ppm2 3.295
OR {11796}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "151 " and name "HD1 ")
OR {11796}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "151 " and name "HD1 ")
ASSI {11797}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "151 " and name "HD2 ")
5.000 5.000 0.000 peak 11797 weight 0.10000E+01 volume -0.32200E+00 ppm1 0.766 ppm2 2.981
OR {11797}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "151 " and name "HD2 ")
OR {11797}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "151 " and name "HD2 ")
ASSI {11799}
(segid " " and resid "118 " and name "HA ")
(segid " " and resid "118 " and name "HB1 ")
3.300 3.300 0.000 peak 11799 weight 0.10000E+01 volume -0.39540E+01 ppm1 3.677 ppm2 2.057
OR {11799}
(segid " " and resid "118 " and name "HA ")
(segid " " and resid "118 " and name "HB2 ")
ASSI {11800}
(segid " " and resid "118 " and name "HA ")
(segid " " and resid "118 " and name "HD1 ")
5.000 5.000 0.000 peak 11800 weight 0.10000E+01 volume -0.86000E+00 ppm1 3.675 ppm2 3.278
ASSI {11801}
(segid " " and resid "118 " and name "HA ")
(segid " " and resid "118 " and name "HD2 ")
5.000 5.000 0.000 peak 11801 weight 0.10000E+01 volume -0.59100E+00 ppm1 3.680 ppm2 3.225
ASSI {11802}
(segid " " and resid "118 " and name "HA ")
(segid " " and resid "118 " and name "HG2 ")
5.000 5.000 0.000 peak 11802 weight 0.10000E+01 volume -0.13670E+01 ppm1 3.675 ppm2 1.620
ASSI {11803}
(segid " " and resid "118 " and name "HA ")
(segid " " and resid "151 " and name "HD2 ")
5.000 5.000 0.000 peak 11803 weight 0.10000E+01 volume -0.46600E+00 ppm1 3.675 ppm2 2.988
ASSI {11805}
(segid " " and resid "118 " and name "HG1 ")
(segid " " and resid "118 " and name "HA ")
5.000 5.000 0.000 peak 11805 weight 0.10000E+01 volume -0.83200E+00 ppm1 1.915 ppm2 3.676
ASSI {11807}
(segid " " and resid "118 " and name "HG2 ")
(segid " " and resid "118 " and name "HB1 ")
3.300 3.300 0.000 peak 11807 weight 0.10000E+01 volume -0.25660E+01 ppm1 1.620 ppm2 2.064
OR {11807}
(segid " " and resid "118 " and name "HG2 ")
(segid " " and resid "118 " and name "HB2 ")
ASSI {11808}
(segid " " and resid "118 " and name "HG2 ")
(segid " " and resid "118 " and name "HG1 ")
2.700 2.700 0.000 peak 11808 weight 0.10000E+01 volume -0.49140E+01 ppm1 1.620 ppm2 1.914
ASSI {11810}
(segid " " and resid "119 " and name "HA ")
(segid " " and resid "119 " and name "HG1 ")
5.000 5.000 0.000 peak 11810 weight 0.10000E+01 volume 0.60100E+00 ppm1 4.263 ppm2 2.965
ASSI {11811}
(segid " " and resid "119 " and name "HA ")
(segid " " and resid "119 " and name "HG2 ")
5.000 5.000 0.000 peak 11811 weight 0.10000E+01 volume 0.79400E+00 ppm1 4.259 ppm2 2.422
ASSI {11812}
(segid " " and resid "119 " and name "HB2 ")
(segid " " and resid "119 " and name "HA ")
5.000 5.000 0.000 peak 11812 weight 0.10000E+01 volume -0.45700E+00 ppm1 1.576 ppm2 4.262
ASSI {11813}
(segid " " and resid "119 " and name "HB2 ")
(segid " " and resid "119 " and name "HB1 ")
5.000 5.000 0.000 peak 11813 weight 0.10000E+01 volume -0.18510E+01 ppm1 1.562 ppm2 2.067
ASSI {11814}
(segid " " and resid "119 " and name "HB1 ")
(segid " " and resid "119 " and name "HG1 ")
5.000 5.000 0.000 peak 11814 weight 0.10000E+01 volume -0.11540E+01 ppm1 2.062 ppm2 2.981
ASSI {11815}
(segid " " and resid "119 " and name "HB2 ")
(segid " " and resid "119 " and name "HG2 ")
5.000 5.000 0.000 peak 11815 weight 0.10000E+01 volume -0.46000E+00 ppm1 1.566 ppm2 2.420
ASSI {11819}
(segid " " and resid "119 " and name "HG1 ")
(segid " " and resid "119 " and name "HB2 ")
5.000 5.000 0.000 peak 11819 weight 0.10000E+01 volume 0.45300E+00 ppm1 2.964 ppm2 1.556
ASSI {11821}
(segid " " and resid "119 " and name "HG2 ")
(segid " " and resid "119 " and name "HG1 ")
5.000 5.000 0.000 peak 11821 weight 0.10000E+01 volume 0.93000E+00 ppm1 2.424 ppm2 2.960
ASSI {11823}
(segid " " and resid "120 " and name "HA2 ")
(segid " " and resid "120 " and name "HA1 ")
3.300 3.300 0.000 peak 11823 weight 0.10000E+01 volume 0.21450E+01 ppm1 3.535 ppm2 4.024
ASSI {11825}
(segid " " and resid "121 " and name "HA ")
(segid " " and resid "121 " and name "HB1 ")
5.000 5.000 0.000 peak 11825 weight 0.10000E+01 volume 0.10690E+01 ppm1 5.225 ppm2 3.148
ASSI {11826}
(segid " " and resid "121 " and name "HA ")
(segid " " and resid "121 " and name "HB2 ")
5.000 5.000 0.000 peak 11826 weight 0.10000E+01 volume 0.87300E+00 ppm1 5.223 ppm2 3.015
ASSI {11827}
(segid " " and resid "121 " and name "HA ")
(segid " " and resid "121 " and name "HD2 ")
6.000 6.000 0.000 peak 11827 weight 0.10000E+01 volume 0.39000E-01 ppm1 5.224 ppm2 7.258
ASSI {11833}
(segid " " and resid "121 " and name "HD2 ")
(segid " " and resid "121 " and name "HB1 ")
6.000 6.000 0.000 peak 11833 weight 0.10000E+01 volume -0.17300E+00 ppm1 7.263 ppm2 3.148
ASSI {11834}
(segid " " and resid "121 " and name "HD2 ")
(segid " " and resid "121 " and name "HB2 ")
5.000 5.000 0.000 peak 11834 weight 0.10000E+01 volume -0.31700E+00 ppm1 7.266 ppm2 3.010
ASSI {11835}
(segid " " and resid "124 " and name "HA ")
(segid " " and resid "124 " and name "HB ")
5.000 5.000 0.000 peak 11835 weight 0.10000E+01 volume -0.48700E+00 ppm1 3.755 ppm2 2.394
ASSI {11836}
(segid " " and resid "124 " and name "HA ")
(segid " " and resid "124 " and name "HG22")
2.700 2.700 0.000 peak 11836 weight 0.10000E+01 volume -0.56720E+01 ppm1 3.755 ppm2 0.956
OR {11836}
(segid " " and resid "124 " and name "HA ")
(segid " " and resid "124 " and name "HG23")
OR {11836}
(segid " " and resid "124 " and name "HA ")
(segid " " and resid "124 " and name "HG21")
OR {11836}
(segid " " and resid "124 " and name "HA ")
(segid " " and resid "124 " and name "HG12")
OR {11836}
(segid " " and resid "124 " and name "HA ")
(segid " " and resid "124 " and name "HG13")
OR {11836}
(segid " " and resid "124 " and name "HA ")
(segid " " and resid "124 " and name "HG11")
ASSI {11837}
(segid " " and resid "125 " and name "HA ")
(segid " " and resid "125 " and name "HB ")
5.000 5.000 0.000 peak 11837 weight 0.10000E+01 volume -0.66100E+00 ppm1 3.367 ppm2 2.244
ASSI {11839}
(segid " " and resid "127 " and name "HA ")
(segid " " and resid "127 " and name "HB1 ")
5.000 5.000 0.000 peak 11839 weight 0.10000E+01 volume -0.15550E+01 ppm1 4.300 ppm2 3.407
ASSI {11840}
(segid " " and resid "127 " and name "HA ")
(segid " " and resid "127 " and name "HB2 ")
5.000 5.000 0.000 peak 11840 weight 0.10000E+01 volume -0.11950E+01 ppm1 4.303 ppm2 2.942
ASSI {11841}
(segid " " and resid "127 " and name "HA ")
(segid " " and resid "127 " and name "HD2 ")
5.000 5.000 0.000 peak 11841 weight 0.10000E+01 volume -0.16400E+01 ppm1 4.302 ppm2 7.128
OR {11841}
(segid " " and resid "127 " and name "HA ")
(segid " " and resid "127 " and name "HD1 ")
ASSI {11846}
(segid " " and resid "127 " and name "HB2 ")
(segid " " and resid "127 " and name "HB1 ")
5.000 5.000 0.000 peak 11846 weight 0.10000E+01 volume 0.82200E+00 ppm1 2.943 ppm2 3.418
ASSI {11848}
(segid " " and resid "127 " and name "HB1 ")
(segid " " and resid "127 " and name "HD2 ")
5.000 5.000 0.000 peak 11848 weight 0.10000E+01 volume 0.54100E+00 ppm1 3.413 ppm2 7.129
OR {11848}
(segid " " and resid "127 " and name "HB1 ")
(segid " " and resid "127 " and name "HD1 ")
ASSI {11849}
(segid " " and resid "127 " and name "HB2 ")
(segid " " and resid "127 " and name "HD2 ")
5.000 5.000 0.000 peak 11849 weight 0.10000E+01 volume 0.47900E+00 ppm1 2.949 ppm2 7.128
OR {11849}
(segid " " and resid "127 " and name "HB2 ")
(segid " " and resid "127 " and name "HD1 ")
ASSI {11851}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "92 " and name "HD13")
5.000 5.000 0.000 peak 11851 weight 0.10000E+01 volume -0.97000E+00 ppm1 7.130 ppm2 0.952
OR {11851}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "92 " and name "HD11")
OR {11851}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "92 " and name "HD13")
OR {11851}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "92 " and name "HD12")
OR {11851}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "92 " and name "HD11")
OR {11851}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "92 " and name "HD12")
ASSI {11852}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "96 " and name "HG11")
6.000 6.000 0.000 peak 11852 weight 0.10000E+01 volume -0.23400E+00 ppm1 7.134 ppm2 1.125
OR {11852}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "96 " and name "HG12")
OR {11852}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "96 " and name "HG12")
OR {11852}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "96 " and name "HG13")
OR {11852}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "96 " and name "HG11")
OR {11852}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "96 " and name "HG13")
OR {11852}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "96 " and name "HG22")
OR {11852}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "96 " and name "HG22")
OR {11852}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "96 " and name "HG23")
OR {11852}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "96 " and name "HG23")
OR {11852}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "96 " and name "HG21")
OR {11852}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "96 " and name "HG21")
ASSI {11856}
(segid " " and resid "127 " and name "HD1 ")
(segid " " and resid "128 " and name "HG ")
6.000 6.000 0.000 peak 11856 weight 0.10000E+01 volume -0.24500E+00 ppm1 7.138 ppm2 2.013
OR {11856}
(segid " " and resid "127 " and name "HD2 ")
(segid " " and resid "128 " and name "HG ")
ASSI {11858}
(segid " " and resid "127 " and name "HE1 ")
(segid " " and resid "96 " and name "HG12")
5.000 5.000 0.000 peak 11858 weight 0.10000E+01 volume -0.93900E+00 ppm1 7.214 ppm2 1.127
OR {11858}
(segid " " and resid "127 " and name "HE1 ")
(segid " " and resid "96 " and name "HG11")
OR {11858}
(segid " " and resid "127 " and name "HE2 ")
(segid " " and resid "96 " and name "HG11")
OR {11858}
(segid " " and resid "127 " and name "HE1 ")
(segid " " and resid "96 " and name "HG22")
OR {11858}
(segid " " and resid "127 " and name "HE2 ")
(segid " " and resid "96 " and name "HG12")
OR {11858}
(segid " " and resid "127 " and name "HE2 ")
(segid " " and resid "96 " and name "HG22")
OR {11858}
(segid " " and resid "127 " and name "HE2 ")
(segid " " and resid "96 " and name "HG23")
OR {11858}
(segid " " and resid "127 " and name "HE2 ")
(segid " " and resid "96 " and name "HG13")
OR {11858}
(segid " " and resid "127 " and name "HE1 ")
(segid " " and resid "96 " and name "HG13")
OR {11858}
(segid " " and resid "127 " and name "HE1 ")
(segid " " and resid "96 " and name "HG23")
OR {11858}
(segid " " and resid "127 " and name "HE2 ")
(segid " " and resid "96 " and name "HG21")
OR {11858}
(segid " " and resid "127 " and name "HE1 ")
(segid " " and resid "96 " and name "HG21")
ASSI {11860}
(segid " " and resid "127 " and name "HZ ")
(segid " " and resid "96 " and name "HB ")
6.000 6.000 0.000 peak 11860 weight 0.10000E+01 volume -0.15700E+00 ppm1 7.329 ppm2 2.341
ASSI {11861}
(segid " " and resid "127 " and name "HZ ")
(segid " " and resid "96 " and name "HG13")
5.000 5.000 0.000 peak 11861 weight 0.10000E+01 volume -0.42300E+00 ppm1 7.334 ppm2 1.119
OR {11861}
(segid " " and resid "127 " and name "HZ ")
(segid " " and resid "96 " and name "HG12")
OR {11861}
(segid " " and resid "127 " and name "HZ ")
(segid " " and resid "96 " and name "HG23")
OR {11861}
(segid " " and resid "127 " and name "HZ ")
(segid " " and resid "96 " and name "HG11")
OR {11861}
(segid " " and resid "127 " and name "HZ ")
(segid " " and resid "96 " and name "HG21")
OR {11861}
(segid " " and resid "127 " and name "HZ ")
(segid " " and resid "96 " and name "HG22")
ASSI {11862}
(segid " " and resid "128 " and name "HB1 ")
(segid " " and resid "128 " and name "HA ")
6.000 6.000 0.000 peak 11862 weight 0.10000E+01 volume 0.26000E+00 ppm1 1.731 ppm2 3.864
ASSI {11863}
(segid " " and resid "128 " and name "HB2 ")
(segid " " and resid "128 " and name "HA ")
5.000 5.000 0.000 peak 11863 weight 0.10000E+01 volume 0.39100E+00 ppm1 1.220 ppm2 3.859
ASSI {11864}
(segid " " and resid "128 " and name "HB1 ")
(segid " " and resid "128 " and name "HD11")
5.000 5.000 0.000 peak 11864 weight 0.10000E+01 volume 0.13030E+01 ppm1 1.730 ppm2 0.722
OR {11864}
(segid " " and resid "128 " and name "HB1 ")
(segid " " and resid "128 " and name "HD13")
OR {11864}
(segid " " and resid "128 " and name "HB1 ")
(segid " " and resid "128 " and name "HD12")
ASSI {11865}
(segid " " and resid "128 " and name "HB2 ")
(segid " " and resid "128 " and name "HD11")
5.000 5.000 0.000 peak 11865 weight 0.10000E+01 volume 0.14560E+01 ppm1 1.223 ppm2 0.718
OR {11865}
(segid " " and resid "128 " and name "HB2 ")
(segid " " and resid "128 " and name "HD13")
OR {11865}
(segid " " and resid "128 " and name "HB2 ")
(segid " " and resid "128 " and name "HD12")
ASSI {11867}
(segid " " and resid "128 " and name "HG ")
(segid " " and resid "128 " and name "HA ")
5.000 5.000 0.000 peak 11867 weight 0.10000E+01 volume -0.65200E+00 ppm1 2.020 ppm2 3.861
ASSI {11868}
(segid " " and resid "130 " and name "HA ")
(segid " " and resid "130 " and name "HB1 ")
5.000 5.000 0.000 peak 11868 weight 0.10000E+01 volume -0.14940E+01 ppm1 4.155 ppm2 2.287
ASSI {11869}
(segid " " and resid "130 " and name "HA ")
(segid " " and resid "130 " and name "HB2 ")
5.000 5.000 0.000 peak 11869 weight 0.10000E+01 volume -0.15350E+01 ppm1 4.155 ppm2 1.886
ASSI {11870}
(segid " " and resid "130 " and name "HA ")
(segid " " and resid "130 " and name "HD1 ")
6.000 6.000 0.000 peak 11870 weight 0.10000E+01 volume -0.18400E+00 ppm1 4.168 ppm2 3.476
ASSI {11871}
(segid " " and resid "130 " and name "HA ")
(segid " " and resid "130 " and name "HD2 ")
6.000 6.000 0.000 peak 11871 weight 0.10000E+01 volume -0.13600E+00 ppm1 4.166 ppm2 3.057
ASSI {11872}
(segid " " and resid "130 " and name "HA ")
(segid " " and resid "130 " and name "HG2 ")
5.000 5.000 0.000 peak 11872 weight 0.10000E+01 volume -0.66700E+00 ppm1 4.155 ppm2 1.753
ASSI {11876}
(segid " " and resid "130 " and name "HB1 ")
(segid " " and resid "130 " and name "HB2 ")
2.700 2.700 0.000 peak 11876 weight 0.10000E+01 volume -0.42040E+01 ppm1 2.287 ppm2 1.886
ASSI {11877}
(segid " " and resid "130 " and name "HB1 ")
(segid " " and resid "130 " and name "HD2 ")
5.000 5.000 0.000 peak 11877 weight 0.10000E+01 volume -0.35100E+00 ppm1 2.287 ppm2 3.061
ASSI {11878}
(segid " " and resid "130 " and name "HB2 ")
(segid " " and resid "130 " and name "HD2 ")
5.000 5.000 0.000 peak 11878 weight 0.10000E+01 volume -0.68700E+00 ppm1 1.886 ppm2 3.061
ASSI {11879}
(segid " " and resid "130 " and name "HB1 ")
(segid " " and resid "130 " and name "HG2 ")
3.300 3.300 0.000 peak 11879 weight 0.10000E+01 volume -0.23360E+01 ppm1 2.286 ppm2 1.764
ASSI {11880}
(segid " " and resid "130 " and name "HD1 ")
(segid " " and resid "130 " and name "HB1 ")
6.000 6.000 0.000 peak 11880 weight 0.10000E+01 volume 0.16500E+00 ppm1 3.462 ppm2 2.274
ASSI {11882}
(segid " " and resid "130 " and name "HD2 ")
(segid " " and resid "130 " and name "HD1 ")
5.000 5.000 0.000 peak 11882 weight 0.10000E+01 volume 0.16230E+01 ppm1 3.061 ppm2 3.470
ASSI {11884}
(segid " " and resid "130 " and name "HD1 ")
(segid " " and resid "130 " and name "HG1 ")
5.000 5.000 0.000 peak 11884 weight 0.10000E+01 volume 0.75400E+00 ppm1 3.477 ppm2 1.908
ASSI {11885}
(segid " " and resid "130 " and name "HD2 ")
(segid " " and resid "130 " and name "HG1 ")
5.000 5.000 0.000 peak 11885 weight 0.10000E+01 volume 0.55000E+00 ppm1 3.063 ppm2 1.908
ASSI {11886}
(segid " " and resid "130 " and name "HD1 ")
(segid " " and resid "130 " and name "HG2 ")
5.000 5.000 0.000 peak 11886 weight 0.10000E+01 volume 0.44300E+00 ppm1 3.464 ppm2 1.755
ASSI {11887}
(segid " " and resid "130 " and name "HD2 ")
(segid " " and resid "130 " and name "HG2 ")
5.000 5.000 0.000 peak 11887 weight 0.10000E+01 volume 0.43000E+00 ppm1 3.056 ppm2 1.759
ASSI {11888}
(segid " " and resid "130 " and name "HG1 ")
(segid " " and resid "130 " and name "HA ")
5.000 5.000 0.000 peak 11888 weight 0.10000E+01 volume -0.78100E+00 ppm1 1.913 ppm2 4.169
ASSI {11889}
(segid " " and resid "130 " and name "HG1 ")
(segid " " and resid "130 " and name "HB1 ")
5.000 5.000 0.000 peak 11889 weight 0.10000E+01 volume -0.19460E+01 ppm1 1.913 ppm2 2.287
ASSI {11894}
(segid " " and resid "131 " and name "HA ")
(segid " " and resid "131 " and name "HB1 ")
3.300 3.300 0.000 peak 11894 weight 0.10000E+01 volume 0.21520E+01 ppm1 4.551 ppm2 2.293
ASSI {11895}
(segid " " and resid "131 " and name "HA ")
(segid " " and resid "131 " and name "HB2 ")
5.000 5.000 0.000 peak 11895 weight 0.10000E+01 volume 0.14960E+01 ppm1 4.551 ppm2 1.485
ASSI {11896}
(segid " " and resid "131 " and name "HA ")
(segid " " and resid "131 " and name "HG1 ")
5.000 5.000 0.000 peak 11896 weight 0.10000E+01 volume 0.99300E+00 ppm1 4.550 ppm2 2.070
ASSI {11897}
(segid " " and resid "131 " and name "HA ")
(segid " " and resid "131 " and name "HG2 ")
5.000 5.000 0.000 peak 11897 weight 0.10000E+01 volume 0.10410E+01 ppm1 4.548 ppm2 1.972
ASSI {11900}
(segid " " and resid "131 " and name "HB2 ")
(segid " " and resid "131 " and name "HB1 ")
3.300 3.300 0.000 peak 11900 weight 0.10000E+01 volume -0.23920E+01 ppm1 1.486 ppm2 2.287
ASSI {11902}
(segid " " and resid "131 " and name "HB2 ")
(segid " " and resid "131 " and name "HG1 ")
5.000 5.000 0.000 peak 11902 weight 0.10000E+01 volume -0.14330E+01 ppm1 1.486 ppm2 2.062
ASSI {11903}
(segid " " and resid "131 " and name "HB2 ")
(segid " " and resid "131 " and name "HG2 ")
5.000 5.000 0.000 peak 11903 weight 0.10000E+01 volume -0.13360E+01 ppm1 1.486 ppm2 1.962
ASSI {11908}
(segid " " and resid "132 " and name "HA ")
(segid " " and resid "132 " and name "HB2 ")
5.000 5.000 0.000 peak 11908 weight 0.10000E+01 volume 0.15860E+01 ppm1 5.097 ppm2 3.525
OR {11908}
(segid " " and resid "132 " and name "HA ")
(segid " " and resid "132 " and name "HB1 ")
ASSI {11910}
(segid " " and resid "133 " and name "HA ")
(segid " " and resid "133 " and name "HB1 ")
5.000 5.000 0.000 peak 11910 weight 0.10000E+01 volume 0.12990E+01 ppm1 4.682 ppm2 2.915
ASSI {11911}
(segid " " and resid "133 " and name "HA ")
(segid " " and resid "133 " and name "HB2 ")
5.000 5.000 0.000 peak 11911 weight 0.10000E+01 volume 0.17920E+01 ppm1 4.682 ppm2 2.579
ASSI {11914}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HA ")
5.000 5.000 0.000 peak 11914 weight 0.10000E+01 volume 0.40900E+00 ppm1 1.676 ppm2 3.880
ASSI {11915}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HA ")
5.000 5.000 0.000 peak 11915 weight 0.10000E+01 volume 0.43900E+00 ppm1 1.594 ppm2 3.882
ASSI {11916}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HD13")
5.000 5.000 0.000 peak 11916 weight 0.10000E+01 volume 0.14420E+01 ppm1 1.678 ppm2 0.922
OR {11916}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HD11")
OR {11916}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HD12")
ASSI {11917}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HD11")
3.300 3.300 0.000 peak 11917 weight 0.10000E+01 volume 0.20590E+01 ppm1 1.587 ppm2 0.915
OR {11917}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HD13")
OR {11917}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HD12")
ASSI {11918}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HD22")
5.000 5.000 0.000 peak 11918 weight 0.10000E+01 volume 0.72300E+00 ppm1 1.676 ppm2 0.698
OR {11918}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HD23")
OR {11918}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HD21")
ASSI {11919}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HD21")
5.000 5.000 0.000 peak 11919 weight 0.10000E+01 volume 0.65000E+00 ppm1 1.598 ppm2 0.692
OR {11919}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HD22")
OR {11919}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HD23")
ASSI {11920}
(segid " " and resid "134 " and name "HB1 ")
(segid " " and resid "134 " and name "HG ")
5.000 5.000 0.000 peak 11920 weight 0.10000E+01 volume 0.11220E+01 ppm1 1.677 ppm2 1.959
ASSI {11921}
(segid " " and resid "134 " and name "HB2 ")
(segid " " and resid "134 " and name "HG ")
5.000 5.000 0.000 peak 11921 weight 0.10000E+01 volume 0.71300E+00 ppm1 1.588 ppm2 1.961
ASSI {11922}
(segid " " and resid "135 " and name "HA ")
(segid " " and resid "135 " and name "HB1 ")
5.000 5.000 0.000 peak 11922 weight 0.10000E+01 volume 0.10440E+01 ppm1 4.716 ppm2 3.310
ASSI {11923}
(segid " " and resid "135 " and name "HA ")
(segid " " and resid "135 " and name "HB2 ")
5.000 5.000 0.000 peak 11923 weight 0.10000E+01 volume 0.91300E+00 ppm1 4.718 ppm2 3.076
ASSI {11926}
(segid " " and resid "135 " and name "HB2 ")
(segid " " and resid "135 " and name "HB1 ")
5.000 5.000 0.000 peak 11926 weight 0.10000E+01 volume -0.13910E+01 ppm1 3.087 ppm2 3.321
ASSI {11928}
(segid " " and resid "135 " and name "HB2 ")
(segid " " and resid "135 " and name "HD2 ")
6.000 6.000 0.000 peak 11928 weight 0.10000E+01 volume -0.47000E-01 ppm1 3.093 ppm2 7.079
ASSI {11929}
(segid " " and resid "136 " and name "HA ")
(segid " " and resid "136 " and name "HB1 ")
5.000 5.000 0.000 peak 11929 weight 0.10000E+01 volume 0.10790E+01 ppm1 4.262 ppm2 3.293
ASSI {11930}
(segid " " and resid "136 " and name "HA ")
(segid " " and resid "136 " and name "HB2 ")
5.000 5.000 0.000 peak 11930 weight 0.10000E+01 volume 0.15670E+01 ppm1 4.262 ppm2 3.053
ASSI {11931}
(segid " " and resid "136 " and name "HA ")
(segid " " and resid "136 " and name "HD2 ")
6.000 6.000 0.000 peak 11931 weight 0.10000E+01 volume 0.96000E-01 ppm1 4.267 ppm2 6.743
ASSI {11934}
(segid " " and resid "136 " and name "HB2 ")
(segid " " and resid "136 " and name "HB1 ")
3.300 3.300 0.000 peak 11934 weight 0.10000E+01 volume -0.20670E+01 ppm1 3.071 ppm2 3.287
ASSI {11936}
(segid " " and resid "136 " and name "HB1 ")
(segid " " and resid "136 " and name "HD2 ")
6.000 6.000 0.000 peak 11936 weight 0.10000E+01 volume -0.13000E+00 ppm1 3.291 ppm2 6.733
ASSI {11937}
(segid " " and resid "136 " and name "HB2 ")
(segid " " and resid "136 " and name "HD2 ")
6.000 6.000 0.000 peak 11937 weight 0.10000E+01 volume -0.75000E-01 ppm1 3.051 ppm2 6.752
ASSI {11945}
(segid " " and resid "137 " and name "HA ")
(segid " " and resid "137 " and name "HB2 ")
3.300 3.300 0.000 peak 11945 weight 0.10000E+01 volume 0.21320E+01 ppm1 4.219 ppm2 1.252
ASSI {11946}
(segid " " and resid "137 " and name "HA ")
(segid " " and resid "137 " and name "HD2 ")
5.000 5.000 0.000 peak 11946 weight 0.10000E+01 volume 0.61800E+00 ppm1 4.219 ppm2 3.148
OR {11946}
(segid " " and resid "137 " and name "HA ")
(segid " " and resid "137 " and name "HD1 ")
ASSI {11947}
(segid " " and resid "137 " and name "HA ")
(segid " " and resid "137 " and name "HG1 ")
5.000 5.000 0.000 peak 11947 weight 0.10000E+01 volume 0.14120E+01 ppm1 4.224 ppm2 1.675
ASSI {11948}
(segid " " and resid "137 " and name "HB1 ")
(segid " " and resid "137 " and name "HA ")
5.000 5.000 0.000 peak 11948 weight 0.10000E+01 volume -0.50700E+00 ppm1 1.541 ppm2 4.227
ASSI {11950}
(segid " " and resid "137 " and name "HB2 ")
(segid " " and resid "137 " and name "HB1 ")
5.000 5.000 0.000 peak 11950 weight 0.10000E+01 volume -0.11860E+01 ppm1 1.262 ppm2 1.542
ASSI {11952}
(segid " " and resid "137 " and name "HB1 ")
(segid " " and resid "137 " and name "HD2 ")
5.000 5.000 0.000 peak 11952 weight 0.10000E+01 volume -0.70000E+00 ppm1 1.540 ppm2 3.167
OR {11952}
(segid " " and resid "137 " and name "HB1 ")
(segid " " and resid "137 " and name "HD1 ")
ASSI {11953}
(segid " " and resid "137 " and name "HB2 ")
(segid " " and resid "137 " and name "HD2 ")
5.000 5.000 0.000 peak 11953 weight 0.10000E+01 volume -0.60600E+00 ppm1 1.273 ppm2 3.167
OR {11953}
(segid " " and resid "137 " and name "HB2 ")
(segid " " and resid "137 " and name "HD1 ")
ASSI {11955}
(segid " " and resid "137 " and name "HB2 ")
(segid " " and resid "137 " and name "HG2 ")
5.000 5.000 0.000 peak 11955 weight 0.10000E+01 volume -0.90400E+00 ppm1 1.260 ppm2 1.438
ASSI {11956}
(segid " " and resid "137 " and name "HG1 ")
(segid " " and resid "137 " and name "HD2 ")
5.000 5.000 0.000 peak 11956 weight 0.10000E+01 volume -0.12970E+01 ppm1 1.673 ppm2 3.154
OR {11956}
(segid " " and resid "137 " and name "HG1 ")
(segid " " and resid "137 " and name "HD1 ")
ASSI {11957}
(segid " " and resid "137 " and name "HG2 ")
(segid " " and resid "137 " and name "HD1 ")
5.000 5.000 0.000 peak 11957 weight 0.10000E+01 volume -0.77500E+00 ppm1 1.433 ppm2 3.141
OR {11957}
(segid " " and resid "137 " and name "HG2 ")
(segid " " and resid "137 " and name "HD2 ")
ASSI {11958}
(segid " " and resid "138 " and name "HA ")
(segid " " and resid "138 " and name "HB1 ")
5.000 5.000 0.000 peak 11958 weight 0.10000E+01 volume 0.95600E+00 ppm1 4.578 ppm2 2.854
ASSI {11959}
(segid " " and resid "138 " and name "HA ")
(segid " " and resid "138 " and name "HB2 ")
5.000 5.000 0.000 peak 11959 weight 0.10000E+01 volume 0.99700E+00 ppm1 4.579 ppm2 1.624
ASSI {11962}
(segid " " and resid "138 " and name "HB2 ")
(segid " " and resid "138 " and name "HB1 ")
5.000 5.000 0.000 peak 11962 weight 0.10000E+01 volume 0.73900E+00 ppm1 1.621 ppm2 2.857
ASSI {11964}
(segid " " and resid "140 " and name "HA ")
(segid " " and resid "140 " and name "HB1 ")
3.300 3.300 0.000 peak 11964 weight 0.10000E+01 volume 0.23790E+01 ppm1 4.511 ppm2 4.103
ASSI {11965}
(segid " " and resid "140 " and name "HA ")
(segid " " and resid "140 " and name "HB2 ")
2.700 2.700 0.000 peak 11965 weight 0.10000E+01 volume 0.47180E+01 ppm1 4.520 ppm2 3.921
ASSI {11968}
(segid " " and resid "140 " and name "HB2 ")
(segid " " and resid "140 " and name "HB1 ")
2.700 2.700 0.000 peak 11968 weight 0.10000E+01 volume -0.83050E+01 ppm1 3.915 ppm2 4.102
ASSI {11970}
(segid " " and resid "141 " and name "HA2 ")
(segid " " and resid "141 " and name "HA1 ")
3.300 3.300 0.000 peak 11970 weight 0.10000E+01 volume 0.24470E+01 ppm1 3.691 ppm2 4.310
ASSI {11972}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HB1 ")
5.000 5.000 0.000 peak 11972 weight 0.10000E+01 volume 0.81300E+00 ppm1 4.978 ppm2 2.070
ASSI {11973}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HB2 ")
5.000 5.000 0.000 peak 11973 weight 0.10000E+01 volume 0.75900E+00 ppm1 4.966 ppm2 1.323
ASSI {11974}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HD11")
5.000 5.000 0.000 peak 11974 weight 0.10000E+01 volume 0.50400E+00 ppm1 4.972 ppm2 0.890
OR {11974}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HD12")
OR {11974}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HD13")
ASSI {11975}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HD23")
5.000 5.000 0.000 peak 11975 weight 0.10000E+01 volume 0.16560E+01 ppm1 4.975 ppm2 0.745
OR {11975}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HD21")
OR {11975}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HD22")
ASSI {11976}
(segid " " and resid "142 " and name "HA ")
(segid " " and resid "142 " and name "HG ")
5.000 5.000 0.000 peak 11976 weight 0.10000E+01 volume 0.62400E+00 ppm1 4.974 ppm2 1.511
ASSI {11980}
(segid " " and resid "142 " and name "HB1 ")
(segid " " and resid "142 " and name "HD23")
5.000 5.000 0.000 peak 11980 weight 0.10000E+01 volume 0.50200E+00 ppm1 2.047 ppm2 0.743
OR {11980}
(segid " " and resid "142 " and name "HB1 ")
(segid " " and resid "142 " and name "HD21")
OR {11980}
(segid " " and resid "142 " and name "HB1 ")
(segid " " and resid "142 " and name "HD22")
ASSI {11982}
(segid " " and resid "142 " and name "HD11")
(segid " " and resid "142 " and name "HB1 ")
3.300 3.300 0.000 peak 11982 weight 0.10000E+01 volume -0.21820E+01 ppm1 0.899 ppm2 2.073
OR {11982}
(segid " " and resid "142 " and name "HD12")
(segid " " and resid "142 " and name "HB1 ")
OR {11982}
(segid " " and resid "142 " and name "HD13")
(segid " " and resid "142 " and name "HB1 ")
ASSI {11983}
(segid " " and resid "142 " and name "HD11")
(segid " " and resid "142 " and name "HB2 ")
3.300 3.300 0.000 peak 11983 weight 0.10000E+01 volume -0.25230E+01 ppm1 0.891 ppm2 1.331
OR {11983}
(segid " " and resid "142 " and name "HD12")
(segid " " and resid "142 " and name "HB2 ")
OR {11983}
(segid " " and resid "142 " and name "HD13")
(segid " " and resid "142 " and name "HB2 ")
ASSI {11984}
(segid " " and resid "142 " and name "HD12")
(segid " " and resid "142 " and name "HG ")
3.300 3.300 0.000 peak 11984 weight 0.10000E+01 volume -0.38350E+01 ppm1 0.893 ppm2 1.513
OR {11984}
(segid " " and resid "142 " and name "HD13")
(segid " " and resid "142 " and name "HG ")
OR {11984}
(segid " " and resid "142 " and name "HD11")
(segid " " and resid "142 " and name "HG ")
ASSI {11986}
(segid " " and resid "142 " and name "HD23")
(segid " " and resid "142 " and name "HG ")
2.700 2.700 0.000 peak 11986 weight 0.10000E+01 volume -0.49960E+01 ppm1 0.739 ppm2 1.513
OR {11986}
(segid " " and resid "142 " and name "HD21")
(segid " " and resid "142 " and name "HG ")
OR {11986}
(segid " " and resid "142 " and name "HD22")
(segid " " and resid "142 " and name "HG ")
ASSI {11988}
(segid " " and resid "142 " and name "HG ")
(segid " " and resid "142 " and name "HB1 ")
5.000 5.000 0.000 peak 11988 weight 0.10000E+01 volume -0.95500E+00 ppm1 1.513 ppm2 2.073
ASSI {11990}
(segid " " and resid "143 " and name "HA ")
(segid " " and resid "143 " and name "HB ")
5.000 5.000 0.000 peak 11990 weight 0.10000E+01 volume -0.43600E+00 ppm1 5.382 ppm2 4.689
ASSI {11991}
(segid " " and resid "143 " and name "HA ")
(segid " " and resid "143 " and name "HG23")
5.000 5.000 0.000 peak 11991 weight 0.10000E+01 volume -0.85300E+00 ppm1 5.382 ppm2 1.246
OR {11991}
(segid " " and resid "143 " and name "HA ")
(segid " " and resid "143 " and name "HG21")
OR {11991}
(segid " " and resid "143 " and name "HA ")
(segid " " and resid "143 " and name "HG22")
ASSI {11995}
(segid " " and resid "143 " and name "HG22")
(segid " " and resid "143 " and name "HB ")
3.300 3.300 0.000 peak 11995 weight 0.10000E+01 volume -0.27620E+01 ppm1 1.246 ppm2 4.689
OR {11995}
(segid " " and resid "143 " and name "HG21")
(segid " " and resid "143 " and name "HB ")
OR {11995}
(segid " " and resid "143 " and name "HG23")
(segid " " and resid "143 " and name "HB ")
ASSI {11996}
(segid " " and resid "144 " and name "HA ")
(segid " " and resid "144 " and name "HB2 ")
5.000 5.000 0.000 peak 11996 weight 0.10000E+01 volume -0.87300E+00 ppm1 3.689 ppm2 1.779
ASSI {11997}
(segid " " and resid "144 " and name "HD1 ")
(segid " " and resid "143 " and name "HA ")
5.000 5.000 0.000 peak 11997 weight 0.10000E+01 volume 0.63800E+00 ppm1 4.305 ppm2 5.370
ASSI {11998}
(segid " " and resid "144 " and name "HD2 ")
(segid " " and resid "143 " and name "HA ")
6.000 6.000 0.000 peak 11998 weight 0.10000E+01 volume 0.25100E+00 ppm1 3.746 ppm2 5.375
ASSI {11999}
(segid " " and resid "144 " and name "HD1 ")
(segid " " and resid "143 " and name "HB ")
5.000 5.000 0.000 peak 11999 weight 0.10000E+01 volume 0.34800E+00 ppm1 4.291 ppm2 4.689
ASSI {12000}
(segid " " and resid "144 " and name "HD2 ")
(segid " " and resid "143 " and name "HB ")
5.000 5.000 0.000 peak 12000 weight 0.10000E+01 volume 0.36000E+00 ppm1 3.733 ppm2 4.696
ASSI {12001}
(segid " " and resid "144 " and name "HD2 ")
(segid " " and resid "144 " and name "HD1 ")
6.000 6.000 0.000 peak 12001 weight 0.10000E+01 volume 0.29800E+00 ppm1 3.725 ppm2 4.297
ASSI {12002}
(segid " " and resid "144 " and name "HD1 ")
(segid " " and resid "144 " and name "HG1 ")
5.000 5.000 0.000 peak 12002 weight 0.10000E+01 volume 0.48600E+00 ppm1 4.297 ppm2 1.689
ASSI {12003}
(segid " " and resid "144 " and name "HD2 ")
(segid " " and resid "144 " and name "HG1 ")
6.000 6.000 0.000 peak 12003 weight 0.10000E+01 volume 0.20600E+00 ppm1 3.730 ppm2 1.680
ASSI {12004}
(segid " " and resid "144 " and name "HD1 ")
(segid " " and resid "144 " and name "HG2 ")
6.000 6.000 0.000 peak 12004 weight 0.10000E+01 volume 0.14800E+00 ppm1 4.294 ppm2 0.552
ASSI {12005}
(segid " " and resid "144 " and name "HD2 ")
(segid " " and resid "144 " and name "HG2 ")
6.000 6.000 0.000 peak 12005 weight 0.10000E+01 volume 0.14200E+00 ppm1 3.714 ppm2 0.538
ASSI {12006}
(segid " " and resid "144 " and name "HG1 ")
(segid " " and resid "144 " and name "HG2 ")
5.000 5.000 0.000 peak 12006 weight 0.10000E+01 volume -0.50300E+00 ppm1 1.678 ppm2 0.547
ASSI {12007}
(segid " " and resid "145 " and name "HA ")
(segid " " and resid "145 " and name "HB1 ")
3.300 3.300 0.000 peak 12007 weight 0.10000E+01 volume 0.25740E+01 ppm1 3.931 ppm2 1.754
ASSI {12008}
(segid " " and resid "145 " and name "HA ")
(segid " " and resid "145 " and name "HB2 ")
3.300 3.300 0.000 peak 12008 weight 0.10000E+01 volume 0.25250E+01 ppm1 3.936 ppm2 1.404
ASSI {12009}
(segid " " and resid "145 " and name "HA ")
(segid " " and resid "145 " and name "HG ")
5.000 5.000 0.000 peak 12009 weight 0.10000E+01 volume 0.19450E+01 ppm1 3.931 ppm2 1.531
ASSI {12013}
(segid " " and resid "145 " and name "HB1 ")
(segid " " and resid "145 " and name "HB2 ")
3.300 3.300 0.000 peak 12013 weight 0.10000E+01 volume 0.20990E+01 ppm1 1.751 ppm2 1.403
ASSI {12014}
(segid " " and resid "145 " and name "HB2 ")
(segid " " and resid "145 " and name "HG ")
3.300 3.300 0.000 peak 12014 weight 0.10000E+01 volume 0.25130E+01 ppm1 1.404 ppm2 1.539
ASSI {12015}
(segid " " and resid "145 " and name "HD11")
(segid " " and resid "145 " and name "HB1 ")
2.700 2.700 0.000 peak 12015 weight 0.10000E+01 volume -0.44220E+01 ppm1 0.952 ppm2 1.753
OR {12015}
(segid " " and resid "145 " and name "HD12")
(segid " " and resid "145 " and name "HB1 ")
OR {12015}
(segid " " and resid "145 " and name "HD13")
(segid " " and resid "145 " and name "HB1 ")
ASSI {12016}
(segid " " and resid "145 " and name "HD13")
(segid " " and resid "145 " and name "HB2 ")
2.700 2.700 0.000 peak 12016 weight 0.10000E+01 volume -0.41030E+01 ppm1 0.952 ppm2 1.406
OR {12016}
(segid " " and resid "145 " and name "HD12")
(segid " " and resid "145 " and name "HB2 ")
OR {12016}
(segid " " and resid "145 " and name "HD11")
(segid " " and resid "145 " and name "HB2 ")
ASSI {12017}
(segid " " and resid "145 " and name "HD11")
(segid " " and resid "145 " and name "HG ")
2.700 2.700 0.000 peak 12017 weight 0.10000E+01 volume -0.50690E+01 ppm1 0.952 ppm2 1.540
OR {12017}
(segid " " and resid "145 " and name "HD13")
(segid " " and resid "145 " and name "HG ")
OR {12017}
(segid " " and resid "145 " and name "HD12")
(segid " " and resid "145 " and name "HG ")
ASSI {12018}
(segid " " and resid "145 " and name "HD23")
(segid " " and resid "145 " and name "HG ")
2.700 2.700 0.000 peak 12018 weight 0.10000E+01 volume -0.10814E+02 ppm1 1.006 ppm2 1.525
OR {12018}
(segid " " and resid "145 " and name "HD22")
(segid " " and resid "145 " and name "HG ")
OR {12018}
(segid " " and resid "145 " and name "HD21")
(segid " " and resid "145 " and name "HG ")
ASSI {12020}
(segid " " and resid "146 " and name "HG1 ")
(segid " " and resid "146 " and name "HA ")
5.000 5.000 0.000 peak 12020 weight 0.10000E+01 volume 0.62700E+00 ppm1 2.424 ppm2 3.995
ASSI {12021}
(segid " " and resid "146 " and name "HG2 ")
(segid " " and resid "146 " and name "HA ")
5.000 5.000 0.000 peak 12021 weight 0.10000E+01 volume 0.66600E+00 ppm1 2.334 ppm2 3.998
ASSI {12022}
(segid " " and resid "147 " and name "HA ")
(segid " " and resid "147 " and name "HB1 ")
3.300 3.300 0.000 peak 12022 weight 0.10000E+01 volume 0.21590E+01 ppm1 4.209 ppm2 2.125
ASSI {12023}
(segid " " and resid "147 " and name "HA ")
(segid " " and resid "147 " and name "HD11")
5.000 5.000 0.000 peak 12023 weight 0.10000E+01 volume 0.12800E+01 ppm1 4.213 ppm2 1.185
OR {12023}
(segid " " and resid "147 " and name "HA ")
(segid " " and resid "147 " and name "HD13")
OR {12023}
(segid " " and resid "147 " and name "HA ")
(segid " " and resid "147 " and name "HD12")
ASSI {12024}
(segid " " and resid "147 " and name "HA ")
(segid " " and resid "147 " and name "HD23")
3.300 3.300 0.000 peak 12024 weight 0.10000E+01 volume 0.34580E+01 ppm1 4.209 ppm2 1.043
OR {12024}
(segid " " and resid "147 " and name "HA ")
(segid " " and resid "147 " and name "HD22")
OR {12024}
(segid " " and resid "147 " and name "HA ")
(segid " " and resid "147 " and name "HD21")
ASSI {12026}
(segid " " and resid "147 " and name "HB2 ")
(segid " " and resid "147 " and name "HA ")
5.000 5.000 0.000 peak 12026 weight 0.10000E+01 volume 0.48000E+00 ppm1 1.562 ppm2 4.207
ASSI {12028}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "147 " and name "HB2 ")
3.300 3.300 0.000 peak 12028 weight 0.10000E+01 volume 0.25480E+01 ppm1 2.137 ppm2 1.551
ASSI {12029}
(segid " " and resid "147 " and name "HB2 ")
(segid " " and resid "147 " and name "HD13")
5.000 5.000 0.000 peak 12029 weight 0.10000E+01 volume 0.10690E+01 ppm1 1.556 ppm2 1.190
OR {12029}
(segid " " and resid "147 " and name "HB2 ")
(segid " " and resid "147 " and name "HD11")
OR {12029}
(segid " " and resid "147 " and name "HB2 ")
(segid " " and resid "147 " and name "HD12")
ASSI {12030}
(segid " " and resid "147 " and name "HB2 ")
(segid " " and resid "147 " and name "HD22")
5.000 5.000 0.000 peak 12030 weight 0.10000E+01 volume 0.11350E+01 ppm1 1.565 ppm2 1.048
OR {12030}
(segid " " and resid "147 " and name "HB2 ")
(segid " " and resid "147 " and name "HD21")
OR {12030}
(segid " " and resid "147 " and name "HB2 ")
(segid " " and resid "147 " and name "HD23")
ASSI {12031}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "147 " and name "HG ")
3.300 3.300 0.000 peak 12031 weight 0.10000E+01 volume 0.25230E+01 ppm1 2.134 ppm2 1.472
ASSI {12034}
(segid " " and resid "147 " and name "HD13")
(segid " " and resid "147 " and name "HD23")
2.700 2.700 0.000 peak 12034 weight 0.10000E+01 volume -0.70190E+01 ppm1 1.193 ppm2 1.048
OR {12034}
(segid " " and resid "147 " and name "HD11")
(segid " " and resid "147 " and name "HD23")
OR {12034}
(segid " " and resid "147 " and name "HD13")
(segid " " and resid "147 " and name "HD21")
OR {12034}
(segid " " and resid "147 " and name "HD12")
(segid " " and resid "147 " and name "HD23")
OR {12034}
(segid " " and resid "147 " and name "HD13")
(segid " " and resid "147 " and name "HD22")
OR {12034}
(segid " " and resid "147 " and name "HD12")
(segid " " and resid "147 " and name "HD22")
OR {12034}
(segid " " and resid "147 " and name "HD12")
(segid " " and resid "147 " and name "HD21")
OR {12034}
(segid " " and resid "147 " and name "HD11")
(segid " " and resid "147 " and name "HD22")
OR {12034}
(segid " " and resid "147 " and name "HD11")
(segid " " and resid "147 " and name "HD21")
ASSI {12035}
(segid " " and resid "147 " and name "HD12")
(segid " " and resid "147 " and name "HG ")
3.300 3.300 0.000 peak 12035 weight 0.10000E+01 volume -0.30430E+01 ppm1 1.193 ppm2 1.487
OR {12035}
(segid " " and resid "147 " and name "HD13")
(segid " " and resid "147 " and name "HG ")
OR {12035}
(segid " " and resid "147 " and name "HD11")
(segid " " and resid "147 " and name "HG ")
ASSI {12038}
(segid " " and resid "147 " and name "HD21")
(segid " " and resid "147 " and name "HB1 ")
3.300 3.300 0.000 peak 12038 weight 0.10000E+01 volume -0.32670E+01 ppm1 1.032 ppm2 2.127
OR {12038}
(segid " " and resid "147 " and name "HD23")
(segid " " and resid "147 " and name "HB1 ")
OR {12038}
(segid " " and resid "147 " and name "HD22")
(segid " " and resid "147 " and name "HB1 ")
ASSI {12040}
(segid " " and resid "147 " and name "HG ")
(segid " " and resid "147 " and name "HA ")
5.000 5.000 0.000 peak 12040 weight 0.10000E+01 volume -0.45400E+00 ppm1 1.486 ppm2 4.208
ASSI {12043}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "148 " and name "HA ")
2.700 2.700 0.000 peak 12043 weight 0.10000E+01 volume -0.43960E+01 ppm1 1.433 ppm2 3.742
OR {12043}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "148 " and name "HA ")
OR {12043}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "148 " and name "HA ")
ASSI {12044}
(segid " " and resid "149 " and name "HA ")
(segid " " and resid "149 " and name "HB1 ")
5.000 5.000 0.000 peak 12044 weight 0.10000E+01 volume -0.19930E+01 ppm1 4.339 ppm2 1.973
ASSI {12045}
(segid " " and resid "149 " and name "HA ")
(segid " " and resid "149 " and name "HB2 ")
5.000 5.000 0.000 peak 12045 weight 0.10000E+01 volume -0.18950E+01 ppm1 4.336 ppm2 1.868
ASSI {12046}
(segid " " and resid "149 " and name "HA ")
(segid " " and resid "149 " and name "HD2 ")
5.000 5.000 0.000 peak 12046 weight 0.10000E+01 volume -0.45900E+00 ppm1 4.336 ppm2 3.255
OR {12046}
(segid " " and resid "149 " and name "HA ")
(segid " " and resid "149 " and name "HD1 ")
ASSI {12047}
(segid " " and resid "149 " and name "HA ")
(segid " " and resid "149 " and name "HG1 ")
5.000 5.000 0.000 peak 12047 weight 0.10000E+01 volume -0.16350E+01 ppm1 4.336 ppm2 1.757
ASSI {12048}
(segid " " and resid "149 " and name "HA ")
(segid " " and resid "149 " and name "HG2 ")
5.000 5.000 0.000 peak 12048 weight 0.10000E+01 volume -0.12020E+01 ppm1 4.335 ppm2 1.578
ASSI {12051}
(segid " " and resid "150 " and name "HB1 ")
(segid " " and resid "150 " and name "HA ")
5.000 5.000 0.000 peak 12051 weight 0.10000E+01 volume -0.10990E+01 ppm1 2.414 ppm2 4.048
ASSI {12053}
(segid " " and resid "150 " and name "HG2 ")
(segid " " and resid "150 " and name "HA ")
5.000 5.000 0.000 peak 12053 weight 0.10000E+01 volume 0.13850E+01 ppm1 2.337 ppm2 4.043
ASSI {12054}
(segid " " and resid "150 " and name "HG2 ")
(segid " " and resid "150 " and name "HG1 ")
2.700 2.700 0.000 peak 12054 weight 0.10000E+01 volume 0.53500E+01 ppm1 2.333 ppm2 2.551
ASSI {12055}
(segid " " and resid "151 " and name "HA ")
(segid " " and resid "151 " and name "HB1 ")
3.300 3.300 0.000 peak 12055 weight 0.10000E+01 volume 0.26060E+01 ppm1 4.289 ppm2 2.147
ASSI {12056}
(segid " " and resid "151 " and name "HA ")
(segid " " and resid "151 " and name "HB2 ")
3.300 3.300 0.000 peak 12056 weight 0.10000E+01 volume 0.39580E+01 ppm1 4.290 ppm2 1.804
ASSI {12057}
(segid " " and resid "151 " and name "HA ")
(segid " " and resid "151 " and name "HD1 ")
5.000 5.000 0.000 peak 12057 weight 0.10000E+01 volume 0.73900E+00 ppm1 4.292 ppm2 3.293
ASSI {12058}
(segid " " and resid "151 " and name "HA ")
(segid " " and resid "151 " and name "HD2 ")
5.000 5.000 0.000 peak 12058 weight 0.10000E+01 volume 0.58300E+00 ppm1 4.291 ppm2 2.991
ASSI {12060}
(segid " " and resid "151 " and name "HB2 ")
(segid " " and resid "151 " and name "HD2 ")
5.000 5.000 0.000 peak 12060 weight 0.10000E+01 volume -0.56400E+00 ppm1 1.805 ppm2 2.987
ASSI {12066}
(segid " " and resid "151 " and name "HD2 ")
(segid " " and resid "151 " and name "HB1 ")
5.000 5.000 0.000 peak 12066 weight 0.10000E+01 volume 0.68000E+00 ppm1 2.987 ppm2 2.137
ASSI {12067}
(segid " " and resid "151 " and name "HD2 ")
(segid " " and resid "151 " and name "HD1 ")
2.700 2.700 0.000 peak 12067 weight 0.10000E+01 volume 0.46920E+01 ppm1 2.987 ppm2 3.292
ASSI {12069}
(segid " " and resid "151 " and name "HD2 ")
(segid " " and resid "151 " and name "HG1 ")
5.000 5.000 0.000 peak 12069 weight 0.10000E+01 volume 0.19120E+01 ppm1 2.990 ppm2 1.829
ASSI {12070}
(segid " " and resid "151 " and name "HD2 ")
(segid " " and resid "151 " and name "HG2 ")
5.000 5.000 0.000 peak 12070 weight 0.10000E+01 volume 0.19560E+01 ppm1 2.987 ppm2 1.760
ASSI {12071}
(segid " " and resid "151 " and name "HG1 ")
(segid " " and resid "151 " and name "HA ")
5.000 5.000 0.000 peak 12071 weight 0.10000E+01 volume -0.15990E+01 ppm1 1.852 ppm2 4.290
ASSI {12072}
(segid " " and resid "151 " and name "HG2 ")
(segid " " and resid "151 " and name "HA ")
5.000 5.000 0.000 peak 12072 weight 0.10000E+01 volume -0.17910E+01 ppm1 1.772 ppm2 4.290
ASSI {12074}
(segid " " and resid "153 " and name "HA ")
(segid " " and resid "153 " and name "HB3 ")
2.700 2.700 0.000 peak 12074 weight 0.10000E+01 volume 0.47350E+01 ppm1 4.774 ppm2 1.370
OR {12074}
(segid " " and resid "153 " and name "HA ")
(segid " " and resid "153 " and name "HB1 ")
OR {12074}
(segid " " and resid "153 " and name "HA ")
(segid " " and resid "153 " and name "HB2 ")
ASSI {12075}
(segid " " and resid "155 " and name "HA ")
(segid " " and resid "155 " and name "HB1 ")
3.300 3.300 0.000 peak 12075 weight 0.10000E+01 volume 0.22350E+01 ppm1 4.478 ppm2 2.943
ASSI {12076}
(segid " " and resid "155 " and name "HA ")
(segid " " and resid "155 " and name "HB2 ")
3.300 3.300 0.000 peak 12076 weight 0.10000E+01 volume 0.29650E+01 ppm1 4.477 ppm2 2.864
ASSI {12079}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HB1 ")
5.000 5.000 0.000 peak 12079 weight 0.10000E+01 volume 0.83600E+00 ppm1 4.148 ppm2 2.097
ASSI {12080}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HB2 ")
5.000 5.000 0.000 peak 12080 weight 0.10000E+01 volume 0.93300E+00 ppm1 4.158 ppm2 1.160
ASSI {12081}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HD22")
3.300 3.300 0.000 peak 12081 weight 0.10000E+01 volume 0.26760E+01 ppm1 4.158 ppm2 0.735
OR {12081}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HD23")
OR {12081}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HD21")
ASSI {12082}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HG ")
5.000 5.000 0.000 peak 12082 weight 0.10000E+01 volume 0.13430E+01 ppm1 4.151 ppm2 1.877
ASSI {12085}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HB1 ")
5.000 5.000 0.000 peak 12085 weight 0.10000E+01 volume 0.11530E+01 ppm1 1.170 ppm2 2.084
ASSI {12088}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HD11")
5.000 5.000 0.000 peak 12088 weight 0.10000E+01 volume 0.11840E+01 ppm1 1.168 ppm2 0.984
OR {12088}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HD12")
OR {12088}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HD13")
ASSI {12089}
(segid " " and resid "156 " and name "HB1 ")
(segid " " and resid "156 " and name "HD23")
5.000 5.000 0.000 peak 12089 weight 0.10000E+01 volume 0.80900E+00 ppm1 2.097 ppm2 0.742
OR {12089}
(segid " " and resid "156 " and name "HB1 ")
(segid " " and resid "156 " and name "HD22")
OR {12089}
(segid " " and resid "156 " and name "HB1 ")
(segid " " and resid "156 " and name "HD21")
ASSI {12090}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HD22")
5.000 5.000 0.000 peak 12090 weight 0.10000E+01 volume 0.12210E+01 ppm1 1.160 ppm2 0.747
OR {12090}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HD21")
OR {12090}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HD23")
ASSI {12091}
(segid " " and resid "156 " and name "HB1 ")
(segid " " and resid "156 " and name "HG ")
5.000 5.000 0.000 peak 12091 weight 0.10000E+01 volume 0.84700E+00 ppm1 2.093 ppm2 1.887
ASSI {12092}
(segid " " and resid "156 " and name "HB2 ")
(segid " " and resid "156 " and name "HG ")
5.000 5.000 0.000 peak 12092 weight 0.10000E+01 volume 0.61900E+00 ppm1 1.169 ppm2 1.863
ASSI {12093}
(segid " " and resid "156 " and name "HD13")
(segid " " and resid "156 " and name "HB1 ")
3.300 3.300 0.000 peak 12093 weight 0.10000E+01 volume -0.31170E+01 ppm1 0.995 ppm2 2.103
OR {12093}
(segid " " and resid "156 " and name "HD11")
(segid " " and resid "156 " and name "HB1 ")
OR {12093}
(segid " " and resid "156 " and name "HD12")
(segid " " and resid "156 " and name "HB1 ")
ASSI {12094}
(segid " " and resid "156 " and name "HD22")
(segid " " and resid "156 " and name "HD12")
2.700 2.700 0.000 peak 12094 weight 0.10000E+01 volume -0.16602E+02 ppm1 0.735 ppm2 0.994
OR {12094}
(segid " " and resid "156 " and name "HD21")
(segid " " and resid "156 " and name "HD11")
OR {12094}
(segid " " and resid "156 " and name "HD21")
(segid " " and resid "156 " and name "HD13")
OR {12094}
(segid " " and resid "156 " and name "HD23")
(segid " " and resid "156 " and name "HD11")
OR {12094}
(segid " " and resid "156 " and name "HD21")
(segid " " and resid "156 " and name "HD12")
OR {12094}
(segid " " and resid "156 " and name "HD23")
(segid " " and resid "156 " and name "HD13")
OR {12094}
(segid " " and resid "156 " and name "HD22")
(segid " " and resid "156 " and name "HD11")
OR {12094}
(segid " " and resid "156 " and name "HD22")
(segid " " and resid "156 " and name "HD13")
OR {12094}
(segid " " and resid "156 " and name "HD23")
(segid " " and resid "156 " and name "HD12")
ASSI {12095}
(segid " " and resid "157 " and name "HA ")
(segid " " and resid "157 " and name "HB1 ")
3.300 3.300 0.000 peak 12095 weight 0.10000E+01 volume -0.21600E+01 ppm1 3.711 ppm2 2.281
ASSI {12096}
(segid " " and resid "157 " and name "HA ")
(segid " " and resid "157 " and name "HB2 ")
5.000 5.000 0.000 peak 12096 weight 0.10000E+01 volume -0.19720E+01 ppm1 3.709 ppm2 2.171
ASSI {12099}
(segid " " and resid "158 " and name "HA ")
(segid " " and resid "158 " and name "HB1 ")
5.000 5.000 0.000 peak 12099 weight 0.10000E+01 volume 0.13470E+01 ppm1 4.344 ppm2 2.791
ASSI {12100}
(segid " " and resid "158 " and name "HA ")
(segid " " and resid "158 " and name "HB2 ")
5.000 5.000 0.000 peak 12100 weight 0.10000E+01 volume 0.19340E+01 ppm1 4.345 ppm2 2.676
ASSI {12103}
(segid " " and resid "158 " and name "HB2 ")
(segid " " and resid "158 " and name "HB1 ")
2.700 2.700 0.000 peak 12103 weight 0.10000E+01 volume 0.43030E+01 ppm1 2.667 ppm2 2.792
ASSI {12106}
(segid " " and resid "159 " and name "HA ")
(segid " " and resid "159 " and name "HB ")
5.000 5.000 0.000 peak 12106 weight 0.10000E+01 volume -0.11020E+01 ppm1 3.766 ppm2 1.862
ASSI {12107}
(segid " " and resid "159 " and name "HA ")
(segid " " and resid "159 " and name "HG11")
5.000 5.000 0.000 peak 12107 weight 0.10000E+01 volume -0.14760E+01 ppm1 3.761 ppm2 1.940
ASSI {12108}
(segid " " and resid "159 " and name "HA ")
(segid " " and resid "159 " and name "HG12")
5.000 5.000 0.000 peak 12108 weight 0.10000E+01 volume -0.14920E+01 ppm1 3.765 ppm2 1.144
ASSI {12111}
(segid " " and resid "159 " and name "HB ")
(segid " " and resid "159 " and name "HG12")
5.000 5.000 0.000 peak 12111 weight 0.10000E+01 volume 0.60600E+00 ppm1 1.867 ppm2 1.143
ASSI {12112}
(segid " " and resid "159 " and name "HD13")
(segid " " and resid "159 " and name "HA ")
5.000 5.000 0.000 peak 12112 weight 0.10000E+01 volume -0.16810E+01 ppm1 0.909 ppm2 3.772
OR {12112}
(segid " " and resid "159 " and name "HD12")
(segid " " and resid "159 " and name "HA ")
OR {12112}
(segid " " and resid "159 " and name "HD11")
(segid " " and resid "159 " and name "HA ")
ASSI {12115}
(segid " " and resid "159 " and name "HG12")
(segid " " and resid "159 " and name "HG11")
3.300 3.300 0.000 peak 12115 weight 0.10000E+01 volume -0.28190E+01 ppm1 1.150 ppm2 1.936
ASSI {12117}
(segid " " and resid "159 " and name "HG22")
(segid " " and resid "159 " and name "HG12")
2.700 2.700 0.000 peak 12117 weight 0.10000E+01 volume -0.41410E+01 ppm1 0.899 ppm2 1.139
OR {12117}
(segid " " and resid "159 " and name "HG23")
(segid " " and resid "159 " and name "HG12")
OR {12117}
(segid " " and resid "159 " and name "HG21")
(segid " " and resid "159 " and name "HG12")
ASSI {12118}
(segid " " and resid "160 " and name "HA ")
(segid " " and resid "160 " and name "HB1 ")
3.300 3.300 0.000 peak 12118 weight 0.10000E+01 volume 0.21600E+01 ppm1 3.886 ppm2 1.957
ASSI {12119}
(segid " " and resid "160 " and name "HA ")
(segid " " and resid "160 " and name "HB2 ")
3.300 3.300 0.000 peak 12119 weight 0.10000E+01 volume 0.21670E+01 ppm1 3.894 ppm2 1.285
ASSI {12120}
(segid " " and resid "160 " and name "HA ")
(segid " " and resid "160 " and name "HG ")
3.300 3.300 0.000 peak 12120 weight 0.10000E+01 volume 0.22910E+01 ppm1 3.892 ppm2 1.782
ASSI {12123}
(segid " " and resid "160 " and name "HB2 ")
(segid " " and resid "160 " and name "HB1 ")
5.000 5.000 0.000 peak 12123 weight 0.10000E+01 volume 0.11970E+01 ppm1 1.291 ppm2 1.959
ASSI {12125}
(segid " " and resid "160 " and name "HB1 ")
(segid " " and resid "160 " and name "HD13")
5.000 5.000 0.000 peak 12125 weight 0.10000E+01 volume 0.82100E+00 ppm1 1.945 ppm2 0.637
OR {12125}
(segid " " and resid "160 " and name "HB1 ")
(segid " " and resid "160 " and name "HD12")
OR {12125}
(segid " " and resid "160 " and name "HB1 ")
(segid " " and resid "160 " and name "HD11")
ASSI {12126}
(segid " " and resid "160 " and name "HB2 ")
(segid " " and resid "160 " and name "HD11")
5.000 5.000 0.000 peak 12126 weight 0.10000E+01 volume 0.83600E+00 ppm1 1.292 ppm2 0.638
OR {12126}
(segid " " and resid "160 " and name "HB2 ")
(segid " " and resid "160 " and name "HD12")
OR {12126}
(segid " " and resid "160 " and name "HB2 ")
(segid " " and resid "160 " and name "HD13")
ASSI {12128}
(segid " " and resid "160 " and name "HB1 ")
(segid " " and resid "160 " and name "HG ")
5.000 5.000 0.000 peak 12128 weight 0.10000E+01 volume 0.79000E+00 ppm1 1.942 ppm2 1.781
ASSI {12129}
(segid " " and resid "160 " and name "HB2 ")
(segid " " and resid "160 " and name "HG ")
5.000 5.000 0.000 peak 12129 weight 0.10000E+01 volume 0.85600E+00 ppm1 1.274 ppm2 1.781
ASSI {12130}
(segid " " and resid "160 " and name "HD22")
(segid " " and resid "160 " and name "HB2 ")
3.300 3.300 0.000 peak 12130 weight 0.10000E+01 volume -0.33000E+01 ppm1 0.752 ppm2 1.290
OR {12130}
(segid " " and resid "160 " and name "HD23")
(segid " " and resid "160 " and name "HB2 ")
OR {12130}
(segid " " and resid "160 " and name "HD21")
(segid " " and resid "160 " and name "HB2 ")
ASSI {12131}
(segid " " and resid "161 " and name "HB1 ")
(segid " " and resid "161 " and name "HA ")
2.700 2.700 0.000 peak 12131 weight 0.10000E+01 volume -0.44150E+01 ppm1 2.207 ppm2 4.021
ASSI {12132}
(segid " " and resid "161 " and name "HB2 ")
(segid " " and resid "161 " and name "HA ")
3.300 3.300 0.000 peak 12132 weight 0.10000E+01 volume -0.35770E+01 ppm1 2.127 ppm2 4.021
ASSI {12133}
(segid " " and resid "161 " and name "HG1 ")
(segid " " and resid "161 " and name "HA ")
5.000 5.000 0.000 peak 12133 weight 0.10000E+01 volume 0.43500E+00 ppm1 2.536 ppm2 4.020
ASSI {12134}
(segid " " and resid "161 " and name "HG2 ")
(segid " " and resid "161 " and name "HA ")
5.000 5.000 0.000 peak 12134 weight 0.10000E+01 volume 0.97300E+00 ppm1 2.368 ppm2 4.015
ASSI {12135}
(segid " " and resid "163 " and name "HA ")
(segid " " and resid "163 " and name "HB1 ")
5.000 5.000 0.000 peak 12135 weight 0.10000E+01 volume 0.15160E+01 ppm1 4.636 ppm2 3.261
ASSI {12136}
(segid " " and resid "163 " and name "HA ")
(segid " " and resid "163 " and name "HB2 ")
5.000 5.000 0.000 peak 12136 weight 0.10000E+01 volume 0.13570E+01 ppm1 4.634 ppm2 2.718
ASSI {12137}
(segid " " and resid "163 " and name "HA ")
(segid " " and resid "163 " and name "HD2 ")
6.000 6.000 0.000 peak 12137 weight 0.10000E+01 volume 0.15000E+00 ppm1 4.636 ppm2 7.029
ASSI {12140}
(segid " " and resid "163 " and name "HB2 ")
(segid " " and resid "163 " and name "HB1 ")
5.000 5.000 0.000 peak 12140 weight 0.10000E+01 volume -0.88700E+00 ppm1 2.725 ppm2 3.263
ASSI {12142}
(segid " " and resid "163 " and name "HB2 ")
(segid " " and resid "163 " and name "HD2 ")
6.000 6.000 0.000 peak 12142 weight 0.10000E+01 volume -0.70000E-01 ppm1 2.720 ppm2 7.020
ASSI {12143}
(segid " " and resid "164 " and name "HA ")
(segid " " and resid "164 " and name "HG1 ")
5.000 5.000 0.000 peak 12143 weight 0.10000E+01 volume 0.14300E+01 ppm1 4.503 ppm2 2.705
ASSI {12144}
(segid " " and resid "164 " and name "HB1 ")
(segid " " and resid "164 " and name "HA ")
5.000 5.000 0.000 peak 12144 weight 0.10000E+01 volume 0.98400E+00 ppm1 2.308 ppm2 4.498
ASSI {12145}
(segid " " and resid "164 " and name "HB2 ")
(segid " " and resid "164 " and name "HA ")
5.000 5.000 0.000 peak 12145 weight 0.10000E+01 volume 0.67400E+00 ppm1 1.941 ppm2 4.498
ASSI {12146}
(segid " " and resid "164 " and name "HB1 ")
(segid " " and resid "164 " and name "HG1 ")
5.000 5.000 0.000 peak 12146 weight 0.10000E+01 volume 0.92400E+00 ppm1 2.306 ppm2 2.696
ASSI {12147}
(segid " " and resid "164 " and name "HB2 ")
(segid " " and resid "164 " and name "HG1 ")
5.000 5.000 0.000 peak 12147 weight 0.10000E+01 volume 0.58800E+00 ppm1 1.946 ppm2 2.702
ASSI {12149}
(segid " " and resid "164 " and name "HG2 ")
(segid " " and resid "164 " and name "HA ")
5.000 5.000 0.000 peak 12149 weight 0.10000E+01 volume -0.63300E+00 ppm1 2.357 ppm2 4.505
ASSI {12151}
(segid " " and resid "164 " and name "HG1 ")
(segid " " and resid "164 " and name "HG2 ")
3.300 3.300 0.000 peak 12151 weight 0.10000E+01 volume -0.31450E+01 ppm1 2.706 ppm2 2.356
ASSI {12152}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HB ")
5.000 5.000 0.000 peak 12152 weight 0.10000E+01 volume 0.54600E+00 ppm1 4.525 ppm2 1.912
ASSI {12153}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HD11")
5.000 5.000 0.000 peak 12153 weight 0.10000E+01 volume 0.46200E+00 ppm1 4.519 ppm2 0.900
OR {12153}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HD13")
OR {12153}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HD12")
ASSI {12154}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HG11")
6.000 6.000 0.000 peak 12154 weight 0.10000E+01 volume 0.24800E+00 ppm1 4.524 ppm2 1.559
ASSI {12155}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HG12")
5.000 5.000 0.000 peak 12155 weight 0.10000E+01 volume 0.39600E+00 ppm1 4.524 ppm2 1.230
ASSI {12156}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HG21")
5.000 5.000 0.000 peak 12156 weight 0.10000E+01 volume 0.96200E+00 ppm1 4.525 ppm2 0.995
OR {12156}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HG23")
OR {12156}
(segid " " and resid "166 " and name "HA ")
(segid " " and resid "166 " and name "HG22")
ASSI {12158}
(segid " " and resid "166 " and name "HB ")
(segid " " and resid "166 " and name "HG11")
5.000 5.000 0.000 peak 12158 weight 0.10000E+01 volume 0.79600E+00 ppm1 1.912 ppm2 1.570
ASSI {12159}
(segid " " and resid "166 " and name "HB ")
(segid " " and resid "166 " and name "HG12")
5.000 5.000 0.000 peak 12159 weight 0.10000E+01 volume 0.44100E+00 ppm1 1.915 ppm2 1.227
ASSI {12160}
(segid " " and resid "166 " and name "HB ")
(segid " " and resid "166 " and name "HG21")
5.000 5.000 0.000 peak 12160 weight 0.10000E+01 volume 0.18170E+01 ppm1 1.915 ppm2 0.996
OR {12160}
(segid " " and resid "166 " and name "HB ")
(segid " " and resid "166 " and name "HG22")
OR {12160}
(segid " " and resid "166 " and name "HB ")
(segid " " and resid "166 " and name "HG23")
ASSI {12164}
(segid " " and resid "167 " and name "HD2 ")
(segid " " and resid "166 " and name "HA ")
5.000 5.000 0.000 peak 12164 weight 0.10000E+01 volume 0.16770E+01 ppm1 3.732 ppm2 4.523
ASSI {12165}
(segid " " and resid "167 " and name "HD1 ")
(segid " " and resid "166 " and name "HB ")
5.000 5.000 0.000 peak 12165 weight 0.10000E+01 volume 0.32400E+00 ppm1 3.938 ppm2 1.896
ASSI {12166}
(segid " " and resid "167 " and name "HD2 ")
(segid " " and resid "166 " and name "HB ")
5.000 5.000 0.000 peak 12166 weight 0.10000E+01 volume 0.44000E+00 ppm1 3.727 ppm2 1.897
ASSI {12167}
(segid " " and resid "167 " and name "HD1 ")
(segid " " and resid "166 " and name "HG22")
6.000 6.000 0.000 peak 12167 weight 0.10000E+01 volume 0.23600E+00 ppm1 3.942 ppm2 0.990
OR {12167}
(segid " " and resid "167 " and name "HD1 ")
(segid " " and resid "166 " and name "HG21")
OR {12167}
(segid " " and resid "167 " and name "HD1 ")
(segid " " and resid "166 " and name "HG23")
ASSI {12168}
(segid " " and resid "167 " and name "HD2 ")
(segid " " and resid "166 " and name "HG22")
5.000 5.000 0.000 peak 12168 weight 0.10000E+01 volume 0.31700E+00 ppm1 3.730 ppm2 0.996
OR {12168}
(segid " " and resid "167 " and name "HD2 ")
(segid " " and resid "166 " and name "HG21")
OR {12168}
(segid " " and resid "167 " and name "HD2 ")
(segid " " and resid "166 " and name "HG23")
ASSI { 5572}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HB1 ")
2.700 2.700 0.000 peak 5572 weight 0.10000E+01 volume 0.44930E+01 ppm1 4.377 ppm2 1.630
OR { 5572}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HB2 ")
ASSI { 5573}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HD21")
2.700 2.700 0.000 peak 5573 weight 0.10000E+01 volume -0.44750E+01 ppm1 4.377 ppm2 0.898
OR { 5573}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HD22")
OR { 5573}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HD23")
ASSI { 5574}
(segid " " and resid "5 " and name "HA ")
(segid " " and resid "5 " and name "HG ")
5.000 5.000 0.000 peak 5574 weight 0.10000E+01 volume -0.85400E+00 ppm1 4.377 ppm2 1.619
ASSI { 5575}
(segid " " and resid "5 " and name "HD11")
(segid " " and resid "5 " and name "HB1 ")
2.700 2.700 0.000 peak 5575 weight 0.10000E+01 volume -0.68800E+01 ppm1 0.953 ppm2 1.650
OR { 5575}
(segid " " and resid "5 " and name "HD11")
(segid " " and resid "5 " and name "HB2 ")
OR { 5575}
(segid " " and resid "5 " and name "HD13")
(segid " " and resid "5 " and name "HB1 ")
OR { 5575}
(segid " " and resid "5 " and name "HD12")
(segid " " and resid "5 " and name "HB1 ")
OR { 5575}
(segid " " and resid "5 " and name "HD12")
(segid " " and resid "5 " and name "HB2 ")
OR { 5575}
(segid " " and resid "5 " and name "HD13")
(segid " " and resid "5 " and name "HB2 ")
ASSI { 5576}
(segid " " and resid "5 " and name "HD23")
(segid " " and resid "5 " and name "HB1 ")
3.300 3.300 0.000 peak 5576 weight 0.10000E+01 volume -0.34770E+01 ppm1 0.890 ppm2 1.618
OR { 5576}
(segid " " and resid "5 " and name "HD21")
(segid " " and resid "5 " and name "HB2 ")
OR { 5576}
(segid " " and resid "5 " and name "HD21")
(segid " " and resid "5 " and name "HB1 ")
OR { 5576}
(segid " " and resid "5 " and name "HD22")
(segid " " and resid "5 " and name "HB1 ")
OR { 5576}
(segid " " and resid "5 " and name "HD23")
(segid " " and resid "5 " and name "HB2 ")
OR { 5576}
(segid " " and resid "5 " and name "HD22")
(segid " " and resid "5 " and name "HB2 ")
ASSI { 5577}
(segid " " and resid "5 " and name "HG ")
(segid " " and resid "5 " and name "HB1 ")
2.700 2.700 0.000 peak 5577 weight 0.10000E+01 volume -0.29395E+02 ppm1 1.630 ppm2 1.630
OR { 5577}
(segid " " and resid "5 " and name "HG ")
(segid " " and resid "5 " and name "HB2 ")
ASSI {12937}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG22")
5.000 5.000 0.000 peak 12937 weight 0.10000E+01 volume 0.68700E+00 ppm1 3.900 ppm2 1.123
OR {12937}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG21")
OR {12937}
(segid " " and resid "10 " and name "HA ")
(segid " " and resid "10 " and name "HG23")
ASSI { 5583}
(segid " " and resid "10 " and name "HB ")
(segid " " and resid "10 " and name "HG23")
5.000 5.000 0.000 peak 5583 weight 0.10000E+01 volume 0.15370E+01 ppm1 2.286 ppm2 1.123
OR { 5583}
(segid " " and resid "10 " and name "HB ")
(segid " " and resid "10 " and name "HG21")
OR { 5583}
(segid " " and resid "10 " and name "HB ")
(segid " " and resid "10 " and name "HG22")
ASSI { 5591}
(segid " " and resid "13 " and name "HD1 ")
(segid " " and resid "10 " and name "HA ")
6.000 6.000 0.000 peak 5591 weight 0.10000E+01 volume -0.20700E+00 ppm1 3.171 ppm2 3.907
OR { 5591}
(segid " " and resid "13 " and name "HD2 ")
(segid " " and resid "10 " and name "HA ")
ASSI { 5596}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "14 " and name "HB2 ")
6.000 6.000 0.000 peak 5596 weight 0.10000E+01 volume 0.22000E+00 ppm1 4.078 ppm2 1.422
ASSI { 5515}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "17 " and name "HB3 ")
6.000 6.000 0.000 peak 5515 weight 0.10000E+01 volume -0.25500E+00 ppm1 4.091 ppm2 1.496
OR { 5515}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "17 " and name "HB1 ")
OR { 5515}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "17 " and name "HB2 ")
ASSI { 5597}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "29 " and name "HD11")
5.000 5.000 0.000 peak 5597 weight 0.10000E+01 volume -0.90400E+00 ppm1 4.083 ppm2 0.769
OR { 5597}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "29 " and name "HD12")
OR { 5597}
(segid " " and resid "14 " and name "HA ")
(segid " " and resid "29 " and name "HD13")
ASSI { 5598}
(segid " " and resid "16 " and name "HA2 ")
(segid " " and resid "19 " and name "HB2 ")
5.000 5.000 0.000 peak 5598 weight 0.10000E+01 volume -0.44800E+00 ppm1 3.858 ppm2 1.571
OR { 5598}
(segid " " and resid "16 " and name "HA2 ")
(segid " " and resid "19 " and name "HB3 ")
OR { 5598}
(segid " " and resid "16 " and name "HA2 ")
(segid " " and resid "19 " and name "HB1 ")
ASSI { 5602}
(segid " " and resid "18 " and name "HB1 ")
(segid " " and resid "50 " and name "HG21")
5.000 5.000 0.000 peak 5602 weight 0.10000E+01 volume 0.92200E+00 ppm1 1.314 ppm2 0.908
OR { 5602}
(segid " " and resid "18 " and name "HB1 ")
(segid " " and resid "50 " and name "HG23")
OR { 5602}
(segid " " and resid "18 " and name "HB2 ")
(segid " " and resid "50 " and name "HG21")
OR { 5602}
(segid " " and resid "18 " and name "HB3 ")
(segid " " and resid "50 " and name "HG21")
OR { 5602}
(segid " " and resid "18 " and name "HB1 ")
(segid " " and resid "50 " and name "HG22")
OR { 5602}
(segid " " and resid "18 " and name "HB3 ")
(segid " " and resid "50 " and name "HG22")
OR { 5602}
(segid " " and resid "18 " and name "HB2 ")
(segid " " and resid "50 " and name "HG22")
OR { 5602}
(segid " " and resid "18 " and name "HB2 ")
(segid " " and resid "50 " and name "HG23")
OR { 5602}
(segid " " and resid "18 " and name "HB3 ")
(segid " " and resid "50 " and name "HG23")
ASSI { 5604}
(segid " " and resid "18 " and name "HB2 ")
(segid " " and resid "51 " and name "HB1 ")
6.000 6.000 0.000 peak 5604 weight 0.10000E+01 volume -0.25200E+00 ppm1 1.324 ppm2 1.986
OR { 5604}
(segid " " and resid "18 " and name "HB3 ")
(segid " " and resid "51 " and name "HB1 ")
OR { 5604}
(segid " " and resid "18 " and name "HB1 ")
(segid " " and resid "51 " and name "HB1 ")
ASSI { 5605}
(segid " " and resid "18 " and name "HB1 ")
(segid " " and resid "51 " and name "HB2 ")
5.000 5.000 0.000 peak 5605 weight 0.10000E+01 volume -0.33100E+00 ppm1 1.324 ppm2 1.451
OR { 5605}
(segid " " and resid "18 " and name "HB2 ")
(segid " " and resid "51 " and name "HB2 ")
OR { 5605}
(segid " " and resid "18 " and name "HB3 ")
(segid " " and resid "51 " and name "HB2 ")
ASSI { 5609}
(segid " " and resid "19 " and name "HB2 ")
(segid " " and resid "16 " and name "HA1 ")
5.000 5.000 0.000 peak 5609 weight 0.10000E+01 volume -0.34500E+00 ppm1 1.544 ppm2 3.928
OR { 5609}
(segid " " and resid "19 " and name "HB3 ")
(segid " " and resid "16 " and name "HA1 ")
OR { 5609}
(segid " " and resid "19 " and name "HB1 ")
(segid " " and resid "16 " and name "HA1 ")
ASSI {13076}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "20 " and name "HG1 ")
6.000 6.000 0.000 peak 13076 weight 0.10000E+01 volume -0.29800E+00 ppm1 4.515 ppm2 1.921
ASSI {13078}
(segid " " and resid "20 " and name "HA ")
(segid " " and resid "20 " and name "HG2 ")
5.000 5.000 0.000 peak 13078 weight 0.10000E+01 volume -0.51000E+00 ppm1 4.514 ppm2 1.802
ASSI { 5616}
(segid " " and resid "23 " and name "HA ")
(segid " " and resid "26 " and name "HB ")
5.000 5.000 0.000 peak 5616 weight 0.10000E+01 volume 0.98900E+00 ppm1 3.368 ppm2 2.177
ASSI { 5617}
(segid " " and resid "23 " and name "HG11")
(segid " " and resid "24 " and name "HG2 ")
6.000 6.000 0.000 peak 5617 weight 0.10000E+01 volume -0.19900E+00 ppm1 0.940 ppm2 2.463
OR { 5617}
(segid " " and resid "23 " and name "HG12")
(segid " " and resid "24 " and name "HG2 ")
OR { 5617}
(segid " " and resid "23 " and name "HG13")
(segid " " and resid "24 " and name "HG2 ")
ASSI { 5618}
(segid " " and resid "23 " and name "HG21")
(segid " " and resid "24 " and name "HG1 ")
5.000 5.000 0.000 peak 5618 weight 0.10000E+01 volume -0.37000E+00 ppm1 0.916 ppm2 2.482
OR { 5618}
(segid " " and resid "23 " and name "HG21")
(segid " " and resid "24 " and name "HG2 ")
OR { 5618}
(segid " " and resid "23 " and name "HG22")
(segid " " and resid "24 " and name "HG1 ")
OR { 5618}
(segid " " and resid "23 " and name "HG23")
(segid " " and resid "24 " and name "HG1 ")
OR { 5618}
(segid " " and resid "23 " and name "HG22")
(segid " " and resid "24 " and name "HG2 ")
OR { 5618}
(segid " " and resid "23 " and name "HG23")
(segid " " and resid "24 " and name "HG2 ")
ASSI {12908}
(segid " " and resid "25 " and name "HG2 ")
(segid " " and resid "17 " and name "HB3 ")
6.000 6.000 0.000 peak 12908 weight 0.10000E+01 volume -0.22100E+00 ppm1 2.131 ppm2 1.518
OR {12908}
(segid " " and resid "25 " and name "HG2 ")
(segid " " and resid "17 " and name "HB2 ")
OR {12908}
(segid " " and resid "25 " and name "HG2 ")
(segid " " and resid "17 " and name "HB1 ")
ASSI { 5434}
(segid " " and resid "31 " and name "HD2 ")
(segid " " and resid "27 " and name "HA ")
6.000 6.000 0.000 peak 5434 weight 0.10000E+01 volume 0.22800E+00 ppm1 6.955 ppm2 3.684
ASSI {13061}
(segid " " and resid "33 " and name "HA ")
(segid " " and resid "33 " and name "HB2 ")
5.000 5.000 0.000 peak 13061 weight 0.10000E+01 volume -0.42500E+00 ppm1 4.480 ppm2 2.339
ASSI { 5656}
(segid " " and resid "37 " and name "HA ")
(segid " " and resid "14 " and name "HD13")
5.000 5.000 0.000 peak 5656 weight 0.10000E+01 volume 0.55000E+00 ppm1 4.101 ppm2 0.990
OR { 5656}
(segid " " and resid "37 " and name "HA ")
(segid " " and resid "14 " and name "HD12")
OR { 5656}
(segid " " and resid "37 " and name "HA ")
(segid " " and resid "14 " and name "HD11")
ASSI { 5670}
(segid " " and resid "42 " and name "HA ")
(segid " " and resid "42 " and name "HB1 ")
5.000 5.000 0.000 peak 5670 weight 0.10000E+01 volume -0.76500E+00 ppm1 4.160 ppm2 1.962
ASSI {13034}
(segid " " and resid "45 " and name "HE2 ")
(segid " " and resid "45 " and name "HG1 ")
6.000 6.000 0.000 peak 13034 weight 0.10000E+01 volume -0.26500E+00 ppm1 2.950 ppm2 1.386
OR {13034}
(segid " " and resid "45 " and name "HE1 ")
(segid " " and resid "45 " and name "HG1 ")
ASSI {12864}
(segid " " and resid "45 " and name "HE1 ")
(segid " " and resid "45 " and name "HG2 ")
6.000 6.000 0.000 peak 12864 weight 0.10000E+01 volume -0.27700E+00 ppm1 2.947 ppm2 1.345
OR {12864}
(segid " " and resid "45 " and name "HE2 ")
(segid " " and resid "45 " and name "HG2 ")
ASSI {13036}
(segid " " and resid "45 " and name "HG1 ")
(segid " " and resid "45 " and name "HA ")
6.000 6.000 0.000 peak 13036 weight 0.10000E+01 volume -0.80000E-01 ppm1 1.390 ppm2 4.825
ASSI { 5674}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "50 " and name "HG23")
5.000 5.000 0.000 peak 5674 weight 0.10000E+01 volume -0.11340E+01 ppm1 4.031 ppm2 0.922
OR { 5674}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "50 " and name "HG22")
OR { 5674}
(segid " " and resid "47 " and name "HA ")
(segid " " and resid "50 " and name "HG21")
ASSI { 5676}
(segid " " and resid "47 " and name "HB1 ")
(segid " " and resid "14 " and name "HD13")
5.000 5.000 0.000 peak 5676 weight 0.10000E+01 volume 0.84800E+00 ppm1 1.251 ppm2 1.009
OR { 5676}
(segid " " and resid "47 " and name "HB2 ")
(segid " " and resid "14 " and name "HD11")
OR { 5676}
(segid " " and resid "47 " and name "HB1 ")
(segid " " and resid "14 " and name "HD11")
OR { 5676}
(segid " " and resid "47 " and name "HB3 ")
(segid " " and resid "14 " and name "HD11")
OR { 5676}
(segid " " and resid "47 " and name "HB2 ")
(segid " " and resid "14 " and name "HD13")
OR { 5676}
(segid " " and resid "47 " and name "HB2 ")
(segid " " and resid "14 " and name "HD12")
OR { 5676}
(segid " " and resid "47 " and name "HB1 ")
(segid " " and resid "14 " and name "HD12")
OR { 5676}
(segid " " and resid "47 " and name "HB3 ")
(segid " " and resid "14 " and name "HD12")
OR { 5676}
(segid " " and resid "47 " and name "HB3 ")
(segid " " and resid "14 " and name "HD13")
ASSI { 5677}
(segid " " and resid "47 " and name "HB2 ")
(segid " " and resid "50 " and name "HG21")
5.000 5.000 0.000 peak 5677 weight 0.10000E+01 volume 0.10200E+01 ppm1 1.256 ppm2 0.909
OR { 5677}
(segid " " and resid "47 " and name "HB1 ")
(segid " " and resid "50 " and name "HG23")
OR { 5677}
(segid " " and resid "47 " and name "HB2 ")
(segid " " and resid "50 " and name "HG23")
OR { 5677}
(segid " " and resid "47 " and name "HB3 ")
(segid " " and resid "50 " and name "HG23")
OR { 5677}
(segid " " and resid "47 " and name "HB3 ")
(segid " " and resid "50 " and name "HG22")
OR { 5677}
(segid " " and resid "47 " and name "HB2 ")
(segid " " and resid "50 " and name "HG22")
OR { 5677}
(segid " " and resid "47 " and name "HB3 ")
(segid " " and resid "50 " and name "HG21")
OR { 5677}
(segid " " and resid "47 " and name "HB1 ")
(segid " " and resid "50 " and name "HG22")
OR { 5677}
(segid " " and resid "47 " and name "HB1 ")
(segid " " and resid "50 " and name "HG21")
ASSI { 5550}
(segid " " and resid "49 " and name "HG1 ")
(segid " " and resid "71 " and name "HG23")
6.000 6.000 0.000 peak 5550 weight 0.10000E+01 volume -0.13300E+00 ppm1 2.704 ppm2 0.871
OR { 5550}
(segid " " and resid "49 " and name "HG1 ")
(segid " " and resid "71 " and name "HG22")
OR { 5550}
(segid " " and resid "49 " and name "HG1 ")
(segid " " and resid "71 " and name "HG21")
ASSI { 5551}
(segid " " and resid "49 " and name "HG2 ")
(segid " " and resid "71 " and name "HG21")
6.000 6.000 0.000 peak 5551 weight 0.10000E+01 volume -0.13800E+00 ppm1 2.226 ppm2 0.848
OR { 5551}
(segid " " and resid "49 " and name "HG2 ")
(segid " " and resid "71 " and name "HG22")
OR { 5551}
(segid " " and resid "49 " and name "HG2 ")
(segid " " and resid "71 " and name "HG23")
ASSI { 5694}
(segid " " and resid "51 " and name "HE2 ")
(segid " " and resid "48 " and name "HA ")
6.000 6.000 0.000 peak 5694 weight 0.10000E+01 volume -0.14700E+00 ppm1 1.690 ppm2 3.784
OR { 5694}
(segid " " and resid "51 " and name "HE1 ")
(segid " " and resid "48 " and name "HA ")
OR { 5694}
(segid " " and resid "51 " and name "HE3 ")
(segid " " and resid "48 " and name "HA ")
ASSI { 5698}
(segid " " and resid "51 " and name "HE2 ")
(segid " " and resid "53 " and name "HD1 ")
6.000 6.000 0.000 peak 5698 weight 0.10000E+01 volume 0.12900E+00 ppm1 1.691 ppm2 7.195
OR { 5698}
(segid " " and resid "51 " and name "HE1 ")
(segid " " and resid "53 " and name "HD1 ")
OR { 5698}
(segid " " and resid "51 " and name "HE3 ")
(segid " " and resid "53 " and name "HD2 ")
OR { 5698}
(segid " " and resid "51 " and name "HE2 ")
(segid " " and resid "53 " and name "HD2 ")
OR { 5698}
(segid " " and resid "51 " and name "HE1 ")
(segid " " and resid "53 " and name "HD2 ")
OR { 5698}
(segid " " and resid "51 " and name "HE3 ")
(segid " " and resid "53 " and name "HD1 ")
ASSI { 5699}
(segid " " and resid "51 " and name "HE2 ")
(segid " " and resid "59 " and name "HA ")
6.000 6.000 0.000 peak 5699 weight 0.10000E+01 volume -0.11600E+00 ppm1 1.691 ppm2 3.741
OR { 5699}
(segid " " and resid "51 " and name "HE1 ")
(segid " " and resid "59 " and name "HA ")
OR { 5699}
(segid " " and resid "51 " and name "HE3 ")
(segid " " and resid "59 " and name "HA ")
ASSI { 5705}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HE1 ")
6.000 6.000 0.000 peak 5705 weight 0.10000E+01 volume 0.27000E+00 ppm1 2.554 ppm2 2.093
OR { 5705}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HE3 ")
OR { 5705}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "52 " and name "HE2 ")
OR { 5705}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "52 " and name "HE3 ")
OR { 5705}
(segid " " and resid "52 " and name "HG1 ")
(segid " " and resid "52 " and name "HE1 ")
OR { 5705}
(segid " " and resid "52 " and name "HG2 ")
(segid " " and resid "52 " and name "HE2 ")
ASSI { 5709}
(segid " " and resid "56 " and name "HG1 ")
(segid " " and resid "56 " and name "HA ")
5.000 5.000 0.000 peak 5709 weight 0.10000E+01 volume 0.51600E+00 ppm1 2.054 ppm2 4.308
OR { 5709}
(segid " " and resid "56 " and name "HG2 ")
(segid " " and resid "56 " and name "HA ")
ASSI { 5720}
(segid " " and resid "59 " and name "HB2 ")
(segid " " and resid "56 " and name "HA ")
5.000 5.000 0.000 peak 5720 weight 0.10000E+01 volume 0.34600E+00 ppm1 1.319 ppm2 4.330
OR { 5720}
(segid " " and resid "59 " and name "HB3 ")
(segid " " and resid "56 " and name "HA ")
OR { 5720}
(segid " " and resid "59 " and name "HB1 ")
(segid " " and resid "56 " and name "HA ")
ASSI { 5722}
(segid " " and resid "60 " and name "HD12")
(segid " " and resid "64 " and name "HE1 ")
5.000 5.000 0.000 peak 5722 weight 0.10000E+01 volume -0.50000E+00 ppm1 0.965 ppm2 2.988
OR { 5722}
(segid " " and resid "60 " and name "HD11")
(segid " " and resid "64 " and name "HE1 ")
OR { 5722}
(segid " " and resid "60 " and name "HD12")
(segid " " and resid "64 " and name "HE2 ")
OR { 5722}
(segid " " and resid "60 " and name "HD11")
(segid " " and resid "64 " and name "HE2 ")
OR { 5722}
(segid " " and resid "60 " and name "HD13")
(segid " " and resid "64 " and name "HE1 ")
OR { 5722}
(segid " " and resid "60 " and name "HD13")
(segid " " and resid "64 " and name "HE2 ")
ASSI {12947}
(segid " " and resid "78 " and name "HA ")
(segid " " and resid "79 " and name "HD1 ")
6.000 6.000 0.000 peak 12947 weight 0.10000E+01 volume 0.13500E+00 ppm1 5.873 ppm2 4.319
OR {12947}
(segid " " and resid "78 " and name "HA ")
(segid " " and resid "79 " and name "HD2 ")
ASSI {12919}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "71 " and name "HG22")
5.000 5.000 0.000 peak 12919 weight 0.10000E+01 volume -0.30600E+00 ppm1 4.325 ppm2 0.845
OR {12919}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "71 " and name "HG23")
OR {12919}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "71 " and name "HG21")
OR {12919}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "71 " and name "HG22")
OR {12919}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "71 " and name "HG23")
OR {12919}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "71 " and name "HG21")
ASSI {12951}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "78 " and name "HB1 ")
6.000 6.000 0.000 peak 12951 weight 0.10000E+01 volume -0.25700E+00 ppm1 4.319 ppm2 4.449
OR {12951}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "78 " and name "HB1 ")
ASSI {12920}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "78 " and name "HB2 ")
5.000 5.000 0.000 peak 12920 weight 0.10000E+01 volume -0.35500E+00 ppm1 4.319 ppm2 4.292
OR {12920}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "78 " and name "HB2 ")
ASSI {12952}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "79 " and name "HG2 ")
6.000 6.000 0.000 peak 12952 weight 0.10000E+01 volume -0.14500E+00 ppm1 4.319 ppm2 1.995
OR {12952}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "79 " and name "HG1 ")
OR {12952}
(segid " " and resid "79 " and name "HD2 ")
(segid " " and resid "79 " and name "HG1 ")
OR {12952}
(segid " " and resid "79 " and name "HD1 ")
(segid " " and resid "79 " and name "HG2 ")
ASSI {13000}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HG11")
3.300 3.300 0.000 peak 13000 weight 0.10000E+01 volume 0.26930E+01 ppm1 3.690 ppm2 0.879
OR {13000}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HG12")
OR {13000}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "80 " and name "HG13")
ASSI { 5757}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "95 " and name "HD12")
5.000 5.000 0.000 peak 5757 weight 0.10000E+01 volume 0.56700E+00 ppm1 3.693 ppm2 0.753
OR { 5757}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "95 " and name "HD13")
OR { 5757}
(segid " " and resid "80 " and name "HA ")
(segid " " and resid "95 " and name "HD11")
ASSI { 5759}
(segid " " and resid "83 " and name "HB3 ")
(segid " " and resid "80 " and name "HA ")
5.000 5.000 0.000 peak 5759 weight 0.10000E+01 volume 0.11760E+01 ppm1 1.321 ppm2 3.697
OR { 5759}
(segid " " and resid "83 " and name "HB1 ")
(segid " " and resid "80 " and name "HA ")
OR { 5759}
(segid " " and resid "83 " and name "HB2 ")
(segid " " and resid "80 " and name "HA ")
ASSI { 5762}
(segid " " and resid "84 " and name "HB1 ")
(segid " " and resid "92 " and name "HD13")
5.000 5.000 0.000 peak 5762 weight 0.10000E+01 volume 0.88800E+00 ppm1 1.457 ppm2 0.956
OR { 5762}
(segid " " and resid "84 " and name "HB2 ")
(segid " " and resid "92 " and name "HD12")
OR { 5762}
(segid " " and resid "84 " and name "HB3 ")
(segid " " and resid "92 " and name "HD12")
OR { 5762}
(segid " " and resid "84 " and name "HB3 ")
(segid " " and resid "92 " and name "HD11")
OR { 5762}
(segid " " and resid "84 " and name "HB1 ")
(segid " " and resid "92 " and name "HD12")
OR { 5762}
(segid " " and resid "84 " and name "HB1 ")
(segid " " and resid "92 " and name "HD11")
OR { 5762}
(segid " " and resid "84 " and name "HB2 ")
(segid " " and resid "92 " and name "HD13")
OR { 5762}
(segid " " and resid "84 " and name "HB2 ")
(segid " " and resid "92 " and name "HD11")
OR { 5762}
(segid " " and resid "84 " and name "HB3 ")
(segid " " and resid "92 " and name "HD13")
ASSI { 5764}
(segid " " and resid "86 " and name "HB ")
(segid " " and resid "86 " and name "HA ")
5.000 5.000 0.000 peak 5764 weight 0.10000E+01 volume 0.17110E+01 ppm1 4.379 ppm2 4.332
ASSI { 5765}
(segid " " and resid "88 " and name "HB1 ")
(segid " " and resid "91 " and name "HB ")
6.000 6.000 0.000 peak 5765 weight 0.10000E+01 volume -0.64000E-01 ppm1 3.437 ppm2 4.208
ASSI { 5774}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "92 " and name "HD13")
5.000 5.000 0.000 peak 5774 weight 0.10000E+01 volume 0.75900E+00 ppm1 0.606 ppm2 0.962
OR { 5774}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "92 " and name "HD11")
OR { 5774}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "92 " and name "HD11")
OR { 5774}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "92 " and name "HD12")
OR { 5774}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "92 " and name "HD11")
OR { 5774}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "92 " and name "HD13")
OR { 5774}
(segid " " and resid "89 " and name "HD21")
(segid " " and resid "92 " and name "HD13")
OR { 5774}
(segid " " and resid "89 " and name "HD22")
(segid " " and resid "92 " and name "HD12")
OR { 5774}
(segid " " and resid "89 " and name "HD23")
(segid " " and resid "92 " and name "HD12")
ASSI { 5784}
(segid " " and resid "92 " and name "HD12")
(segid " " and resid "84 " and name "HA ")
5.000 5.000 0.000 peak 5784 weight 0.10000E+01 volume -0.33500E+00 ppm1 0.955 ppm2 3.959
OR { 5784}
(segid " " and resid "92 " and name "HD13")
(segid " " and resid "84 " and name "HA ")
OR { 5784}
(segid " " and resid "92 " and name "HD11")
(segid " " and resid "84 " and name "HA ")
ASSI { 5786}
(segid " " and resid "92 " and name "HD11")
(segid " " and resid "89 " and name "HA ")
6.000 6.000 0.000 peak 5786 weight 0.10000E+01 volume -0.21700E+00 ppm1 0.956 ppm2 3.737
OR { 5786}
(segid " " and resid "92 " and name "HD13")
(segid " " and resid "89 " and name "HA ")
OR { 5786}
(segid " " and resid "92 " and name "HD12")
(segid " " and resid "89 " and name "HA ")
ASSI { 5789}
(segid " " and resid "92 " and name "HD13")
(segid " " and resid "128 " and name "HG ")
5.000 5.000 0.000 peak 5789 weight 0.10000E+01 volume 0.46800E+00 ppm1 0.955 ppm2 2.008
OR { 5789}
(segid " " and resid "92 " and name "HD11")
(segid " " and resid "128 " and name "HG ")
OR { 5789}
(segid " " and resid "92 " and name "HD12")
(segid " " and resid "128 " and name "HG ")
ASSI { 5790}
(segid " " and resid "92 " and name "HD23")
(segid " " and resid "80 " and name "HA ")
5.000 5.000 0.000 peak 5790 weight 0.10000E+01 volume 0.67700E+00 ppm1 1.015 ppm2 3.707
OR { 5790}
(segid " " and resid "92 " and name "HD22")
(segid " " and resid "80 " and name "HA ")
OR { 5790}
(segid " " and resid "92 " and name "HD21")
(segid " " and resid "80 " and name "HA ")
ASSI { 5796}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "89 " and name "HD12")
6.000 6.000 0.000 peak 5796 weight 0.10000E+01 volume -0.66000E-01 ppm1 2.738 ppm2 0.849
OR { 5796}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "89 " and name "HD11")
OR { 5796}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "89 " and name "HD13")
ASSI { 5797}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "89 " and name "HD13")
6.000 6.000 0.000 peak 5797 weight 0.10000E+01 volume -0.19600E+00 ppm1 2.584 ppm2 0.842
OR { 5797}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "89 " and name "HD11")
OR { 5797}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "89 " and name "HD12")
ASSI { 5798}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "89 " and name "HD22")
6.000 6.000 0.000 peak 5798 weight 0.10000E+01 volume -0.56000E-01 ppm1 2.737 ppm2 0.595
OR { 5798}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "89 " and name "HD23")
OR { 5798}
(segid " " and resid "93 " and name "HE1 ")
(segid " " and resid "89 " and name "HD21")
ASSI { 5799}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "89 " and name "HD21")
6.000 6.000 0.000 peak 5799 weight 0.10000E+01 volume -0.13200E+00 ppm1 2.589 ppm2 0.612
OR { 5799}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "89 " and name "HD23")
OR { 5799}
(segid " " and resid "93 " and name "HE2 ")
(segid " " and resid "89 " and name "HD22")
ASSI {12929}
(segid " " and resid "94 " and name "HA ")
(segid " " and resid "97 " and name "HB1 ")
5.000 5.000 0.000 peak 12929 weight 0.10000E+01 volume 0.50400E+00 ppm1 4.046 ppm2 2.272
ASSI {12983}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HG21")
3.300 3.300 0.000 peak 12983 weight 0.10000E+01 volume 0.27970E+01 ppm1 3.764 ppm2 1.123
OR {12983}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HG23")
OR {12983}
(segid " " and resid "96 " and name "HA ")
(segid " " and resid "96 " and name "HG22")
ASSI { 5817}
(segid " " and resid "97 " and name "HB2 ")
(segid " " and resid "94 " and name "HA ")
6.000 6.000 0.000 peak 5817 weight 0.10000E+01 volume 0.26000E+00 ppm1 2.028 ppm2 4.048
ASSI { 5812}
(segid " " and resid "97 " and name "HB1 ")
(segid " " and resid "97 " and name "HA ")
3.300 3.300 0.000 peak 5812 weight 0.10000E+01 volume -0.22020E+01 ppm1 2.264 ppm2 4.100
ASSI { 5843}
(segid " " and resid "108 " and name "HA ")
(segid " " and resid "108 " and name "HB ")
5.000 5.000 0.000 peak 5843 weight 0.10000E+01 volume 0.16430E+01 ppm1 4.619 ppm2 4.541
ASSI {12977}
(segid " " and resid "112 " and name "HG1 ")
(segid " " and resid "112 " and name "HD1 ")
6.000 6.000 0.000 peak 12977 weight 0.10000E+01 volume -0.12500E+00 ppm1 1.811 ppm2 4.290
ASSI {12978}
(segid " " and resid "112 " and name "HG1 ")
(segid " " and resid "112 " and name "HG2 ")
5.000 5.000 0.000 peak 12978 weight 0.10000E+01 volume 0.37800E+00 ppm1 1.809 ppm2 0.889
ASSI { 5857}
(segid " " and resid "113 " and name "HA ")
(segid " " and resid "128 " and name "HD11")
5.000 5.000 0.000 peak 5857 weight 0.10000E+01 volume 0.79600E+00 ppm1 3.833 ppm2 0.728
OR { 5857}
(segid " " and resid "113 " and name "HA ")
(segid " " and resid "128 " and name "HD13")
OR { 5857}
(segid " " and resid "113 " and name "HA ")
(segid " " and resid "128 " and name "HD12")
ASSI { 5858}
(segid " " and resid "113 " and name "HB ")
(segid " " and resid "128 " and name "HD13")
6.000 6.000 0.000 peak 5858 weight 0.10000E+01 volume -0.29500E+00 ppm1 1.733 ppm2 0.727
OR { 5858}
(segid " " and resid "113 " and name "HB ")
(segid " " and resid "128 " and name "HD11")
OR { 5858}
(segid " " and resid "113 " and name "HB ")
(segid " " and resid "128 " and name "HD12")
ASSI { 5849}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "113 " and name "HG12")
5.000 5.000 0.000 peak 5849 weight 0.10000E+01 volume 0.45300E+00 ppm1 0.742 ppm2 1.387
OR { 5849}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "113 " and name "HG11")
OR { 5849}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "113 " and name "HG11")
OR { 5849}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "113 " and name "HG12")
OR { 5849}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "113 " and name "HG12")
OR { 5849}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "113 " and name "HG11")
ASSI { 5861}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "129 " and name "HB2 ")
5.000 5.000 0.000 peak 5861 weight 0.10000E+01 volume 0.66200E+00 ppm1 0.741 ppm2 1.116
OR { 5861}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "129 " and name "HB2 ")
OR { 5861}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "129 " and name "HB3 ")
OR { 5861}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "129 " and name "HB3 ")
OR { 5861}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "129 " and name "HB3 ")
OR { 5861}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "129 " and name "HB2 ")
OR { 5861}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "129 " and name "HB1 ")
OR { 5861}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "129 " and name "HB1 ")
OR { 5861}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "129 " and name "HB1 ")
ASSI { 5862}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "134 " and name "HD21")
5.000 5.000 0.000 peak 5862 weight 0.10000E+01 volume 0.10270E+01 ppm1 0.737 ppm2 0.690
OR { 5862}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "134 " and name "HD23")
OR { 5862}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "134 " and name "HD21")
OR { 5862}
(segid " " and resid "113 " and name "HD13")
(segid " " and resid "134 " and name "HD22")
OR { 5862}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "134 " and name "HD23")
OR { 5862}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "134 " and name "HD21")
OR { 5862}
(segid " " and resid "113 " and name "HD11")
(segid " " and resid "134 " and name "HD22")
OR { 5862}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "134 " and name "HD22")
OR { 5862}
(segid " " and resid "113 " and name "HD12")
(segid " " and resid "134 " and name "HD23")
ASSI { 5864}
(segid " " and resid "116 " and name "HB2 ")
(segid " " and resid "113 " and name "HA ")
5.000 5.000 0.000 peak 5864 weight 0.10000E+01 volume 0.33400E+00 ppm1 1.489 ppm2 3.836
OR { 5864}
(segid " " and resid "116 " and name "HB3 ")
(segid " " and resid "113 " and name "HA ")
OR { 5864}
(segid " " and resid "116 " and name "HB1 ")
(segid " " and resid "113 " and name "HA ")
ASSI { 5870}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "156 " and name "HD11")
5.000 5.000 0.000 peak 5870 weight 0.10000E+01 volume 0.10140E+01 ppm1 3.515 ppm2 0.997
OR { 5870}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "156 " and name "HD13")
OR { 5870}
(segid " " and resid "117 " and name "HA ")
(segid " " and resid "156 " and name "HD12")
ASSI { 5871}
(segid " " and resid "117 " and name "HD13")
(segid " " and resid "144 " and name "HA ")
5.000 5.000 0.000 peak 5871 weight 0.10000E+01 volume 0.53900E+00 ppm1 0.899 ppm2 3.695
OR { 5871}
(segid " " and resid "117 " and name "HD12")
(segid " " and resid "144 " and name "HA ")
OR { 5871}
(segid " " and resid "117 " and name "HD11")
(segid " " and resid "144 " and name "HA ")
ASSI { 5872}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "147 " and name "HD13")
5.000 5.000 0.000 peak 5872 weight 0.10000E+01 volume 0.95000E+00 ppm1 0.778 ppm2 1.193
OR { 5872}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "147 " and name "HD11")
OR { 5872}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "147 " and name "HD13")
OR { 5872}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "147 " and name "HD11")
OR { 5872}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "147 " and name "HD12")
OR { 5872}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "147 " and name "HD12")
OR { 5872}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "147 " and name "HD12")
OR { 5872}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "147 " and name "HD11")
OR { 5872}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "147 " and name "HD13")
ASSI { 5820}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "147 " and name "HG ")
5.000 5.000 0.000 peak 5820 weight 0.10000E+01 volume 0.38000E+00 ppm1 0.776 ppm2 1.494
OR { 5820}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "147 " and name "HG ")
OR { 5820}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "147 " and name "HG ")
ASSI { 5873}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "148 " and name "HA ")
5.000 5.000 0.000 peak 5873 weight 0.10000E+01 volume -0.70200E+00 ppm1 0.778 ppm2 3.766
OR { 5873}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "148 " and name "HA ")
OR { 5873}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "148 " and name "HA ")
ASSI { 5874}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "148 " and name "HB2 ")
5.000 5.000 0.000 peak 5874 weight 0.10000E+01 volume 0.15850E+01 ppm1 0.778 ppm2 1.428
OR { 5874}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "148 " and name "HB2 ")
OR { 5874}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "148 " and name "HB2 ")
OR { 5874}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "148 " and name "HB3 ")
OR { 5874}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "148 " and name "HB1 ")
OR { 5874}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "148 " and name "HB3 ")
OR { 5874}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "148 " and name "HB1 ")
OR { 5874}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "148 " and name "HB3 ")
OR { 5874}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "148 " and name "HB1 ")
ASSI { 5875}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "156 " and name "HD11")
5.000 5.000 0.000 peak 5875 weight 0.10000E+01 volume 0.85700E+00 ppm1 0.778 ppm2 0.995
OR { 5875}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "156 " and name "HD13")
OR { 5875}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "156 " and name "HD11")
OR { 5875}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "156 " and name "HD13")
OR { 5875}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "156 " and name "HD12")
OR { 5875}
(segid " " and resid "117 " and name "HG22")
(segid " " and resid "156 " and name "HD12")
OR { 5875}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "156 " and name "HD11")
OR { 5875}
(segid " " and resid "117 " and name "HG23")
(segid " " and resid "156 " and name "HD13")
OR { 5875}
(segid " " and resid "117 " and name "HG21")
(segid " " and resid "156 " and name "HD12")
ASSI { 5883}
(segid " " and resid "126 " and name "HB2 ")
(segid " " and resid "159 " and name "HD11")
5.000 5.000 0.000 peak 5883 weight 0.10000E+01 volume 0.79900E+00 ppm1 3.878 ppm2 0.913
OR { 5883}
(segid " " and resid "126 " and name "HB1 ")
(segid " " and resid "159 " and name "HD11")
OR { 5883}
(segid " " and resid "126 " and name "HB2 ")
(segid " " and resid "159 " and name "HD12")
OR { 5883}
(segid " " and resid "126 " and name "HB1 ")
(segid " " and resid "159 " and name "HD12")
OR { 5883}
(segid " " and resid "126 " and name "HB1 ")
(segid " " and resid "159 " and name "HD13")
OR { 5883}
(segid " " and resid "126 " and name "HB2 ")
(segid " " and resid "159 " and name "HD13")
ASSI { 5893}
(segid " " and resid "128 " and name "HD12")
(segid " " and resid "113 " and name "HD12")
5.000 5.000 0.000 peak 5893 weight 0.10000E+01 volume 0.41700E+00 ppm1 0.716 ppm2 0.745
OR { 5893}
(segid " " and resid "128 " and name "HD13")
(segid " " and resid "113 " and name "HD12")
OR { 5893}
(segid " " and resid "128 " and name "HD11")
(segid " " and resid "113 " and name "HD13")
OR { 5893}
(segid " " and resid "128 " and name "HD11")
(segid " " and resid "113 " and name "HD12")
OR { 5893}
(segid " " and resid "128 " and name "HD13")
(segid " " and resid "113 " and name "HD13")
OR { 5893}
(segid " " and resid "128 " and name "HD13")
(segid " " and resid "113 " and name "HD11")
OR { 5893}
(segid " " and resid "128 " and name "HD12")
(segid " " and resid "113 " and name "HD13")
OR { 5893}
(segid " " and resid "128 " and name "HD12")
(segid " " and resid "113 " and name "HD11")
OR { 5893}
(segid " " and resid "128 " and name "HD11")
(segid " " and resid "113 " and name "HD11")
ASSI { 5899}
(segid " " and resid "130 " and name "HD1 ")
(segid " " and resid "129 " and name "HB2 ")
6.000 6.000 0.000 peak 5899 weight 0.10000E+01 volume -0.25100E+00 ppm1 3.470 ppm2 1.124
OR { 5899}
(segid " " and resid "130 " and name "HD1 ")
(segid " " and resid "129 " and name "HB3 ")
OR { 5899}
(segid " " and resid "130 " and name "HD1 ")
(segid " " and resid "129 " and name "HB1 ")
ASSI { 5900}
(segid " " and resid "130 " and name "HD2 ")
(segid " " and resid "129 " and name "HB2 ")
6.000 6.000 0.000 peak 5900 weight 0.10000E+01 volume -0.20900E+00 ppm1 3.066 ppm2 1.128
OR { 5900}
(segid " " and resid "130 " and name "HD2 ")
(segid " " and resid "129 " and name "HB3 ")
OR { 5900}
(segid " " and resid "130 " and name "HD2 ")
(segid " " and resid "129 " and name "HB1 ")
ASSI { 5901}
(segid " " and resid "131 " and name "HB1 ")
(segid " " and resid "102 " and name "HG23")
5.000 5.000 0.000 peak 5901 weight 0.10000E+01 volume 0.11590E+01 ppm1 2.281 ppm2 0.883
OR { 5901}
(segid " " and resid "131 " and name "HB1 ")
(segid " " and resid "102 " and name "HG21")
OR { 5901}
(segid " " and resid "131 " and name "HB1 ")
(segid " " and resid "102 " and name "HG22")
ASSI { 5902}
(segid " " and resid "131 " and name "HB2 ")
(segid " " and resid "102 " and name "HG21")
5.000 5.000 0.000 peak 5902 weight 0.10000E+01 volume 0.56100E+00 ppm1 1.483 ppm2 0.883
OR { 5902}
(segid " " and resid "131 " and name "HB2 ")
(segid " " and resid "102 " and name "HG23")
OR { 5902}
(segid " " and resid "131 " and name "HB2 ")
(segid " " and resid "102 " and name "HG22")
ASSI { 5906}
(segid " " and resid "134 " and name "HD21")
(segid " " and resid "113 " and name "HG22")
5.000 5.000 0.000 peak 5906 weight 0.10000E+01 volume 0.77000E+00 ppm1 0.691 ppm2 0.742
OR { 5906}
(segid " " and resid "134 " and name "HD23")
(segid " " and resid "113 " and name "HG22")
OR { 5906}
(segid " " and resid "134 " and name "HD21")
(segid " " and resid "113 " and name "HG23")
OR { 5906}
(segid " " and resid "134 " and name "HD22")
(segid " " and resid "113 " and name "HG22")
OR { 5906}
(segid " " and resid "134 " and name "HD22")
(segid " " and resid "113 " and name "HG23")
OR { 5906}
(segid " " and resid "134 " and name "HD23")
(segid " " and resid "113 " and name "HG23")
OR { 5906}
(segid " " and resid "134 " and name "HD23")
(segid " " and resid "113 " and name "HG21")
OR { 5906}
(segid " " and resid "134 " and name "HD22")
(segid " " and resid "113 " and name "HG21")
OR { 5906}
(segid " " and resid "134 " and name "HD21")
(segid " " and resid "113 " and name "HG21")
ASSI { 5935}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "144 " and name "HA ")
6.000 6.000 0.000 peak 5935 weight 0.10000E+01 volume -0.13100E+00 ppm1 2.141 ppm2 3.696
ASSI { 5931}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "147 " and name "HD12")
5.000 5.000 0.000 peak 5931 weight 0.10000E+01 volume -0.52600E+00 ppm1 2.136 ppm2 1.186
OR { 5931}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "147 " and name "HD11")
OR { 5931}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "147 " and name "HD13")
ASSI { 5936}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "156 " and name "HD11")
5.000 5.000 0.000 peak 5936 weight 0.10000E+01 volume -0.36600E+00 ppm1 2.092 ppm2 0.995
OR { 5936}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "156 " and name "HD13")
OR { 5936}
(segid " " and resid "147 " and name "HB1 ")
(segid " " and resid "156 " and name "HD12")
ASSI { 5941}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "145 " and name "HA ")
5.000 5.000 0.000 peak 5941 weight 0.10000E+01 volume -0.46600E+00 ppm1 1.440 ppm2 3.950
OR { 5941}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "145 " and name "HA ")
OR { 5941}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "145 " and name "HA ")
ASSI { 5942}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "156 " and name "HD13")
5.000 5.000 0.000 peak 5942 weight 0.10000E+01 volume 0.15070E+01 ppm1 1.429 ppm2 1.002
OR { 5942}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "156 " and name "HD12")
OR { 5942}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "156 " and name "HD11")
OR { 5942}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "156 " and name "HD13")
OR { 5942}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "156 " and name "HD12")
OR { 5942}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "156 " and name "HD13")
OR { 5942}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "156 " and name "HD12")
OR { 5942}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "156 " and name "HD11")
OR { 5942}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "156 " and name "HD11")
ASSI { 5943}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "157 " and name "HA ")
6.000 6.000 0.000 peak 5943 weight 0.10000E+01 volume 0.20500E+00 ppm1 1.443 ppm2 3.736
OR { 5943}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "157 " and name "HA ")
OR { 5943}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "157 " and name "HA ")
ASSI { 5944}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "157 " and name "HG2 ")
5.000 5.000 0.000 peak 5944 weight 0.10000E+01 volume 0.69200E+00 ppm1 1.440 ppm2 2.339
OR { 5944}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "157 " and name "HG1 ")
OR { 5944}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "157 " and name "HG2 ")
OR { 5944}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "157 " and name "HG1 ")
OR { 5944}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "157 " and name "HG2 ")
OR { 5944}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "157 " and name "HG1 ")
ASSI { 5945}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "160 " and name "HD13")
5.000 5.000 0.000 peak 5945 weight 0.10000E+01 volume 0.10780E+01 ppm1 1.440 ppm2 0.647
OR { 5945}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "160 " and name "HD11")
OR { 5945}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "160 " and name "HD13")
OR { 5945}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "160 " and name "HD12")
OR { 5945}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "160 " and name "HD11")
OR { 5945}
(segid " " and resid "148 " and name "HB1 ")
(segid " " and resid "160 " and name "HD11")
OR { 5945}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "160 " and name "HD12")
OR { 5945}
(segid " " and resid "148 " and name "HB2 ")
(segid " " and resid "160 " and name "HD12")
OR { 5945}
(segid " " and resid "148 " and name "HB3 ")
(segid " " and resid "160 " and name "HD13")
ASSI { 5963}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HD12")
6.000 6.000 0.000 peak 5963 weight 0.10000E+01 volume -0.21000E+00 ppm1 4.157 ppm2 1.000
OR { 5963}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HD13")
OR { 5963}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "156 " and name "HD11")
ASSI { 5965}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "159 " and name "HB ")
6.000 6.000 0.000 peak 5965 weight 0.10000E+01 volume 0.21500E+00 ppm1 4.159 ppm2 1.881
ASSI { 5966}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "159 " and name "HD12")
5.000 5.000 0.000 peak 5966 weight 0.10000E+01 volume -0.44300E+00 ppm1 4.157 ppm2 0.905
OR { 5966}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "159 " and name "HD11")
OR { 5966}
(segid " " and resid "156 " and name "HA ")
(segid " " and resid "159 " and name "HD13")
ASSI { 5968}
(segid " " and resid "156 " and name "HD11")
(segid " " and resid "153 " and name "HB2 ")
3.300 3.300 0.000 peak 5968 weight 0.10000E+01 volume 0.24720E+01 ppm1 0.997 ppm2 1.382
OR { 5968}
(segid " " and resid "156 " and name "HD11")
(segid " " and resid "153 " and name "HB3 ")
OR { 5968}
(segid " " and resid "156 " and name "HD12")
(segid " " and resid "153 " and name "HB2 ")
OR { 5968}
(segid " " and resid "156 " and name "HD12")
(segid " " and resid "153 " and name "HB3 ")
OR { 5968}
(segid " " and resid "156 " and name "HD13")
(segid " " and resid "153 " and name "HB1 ")
OR { 5968}
(segid " " and resid "156 " and name "HD13")
(segid " " and resid "153 " and name "HB3 ")
OR { 5968}
(segid " " and resid "156 " and name "HD12")
(segid " " and resid "153 " and name "HB1 ")
OR { 5968}
(segid " " and resid "156 " and name "HD11")
(segid " " and resid "153 " and name "HB1 ")
OR { 5968}
(segid " " and resid "156 " and name "HD13")
(segid " " and resid "153 " and name "HB2 ")
ASSI { 5960}
(segid " " and resid "156 " and name "HD13")
(segid " " and resid "156 " and name "HG ")
5.000 5.000 0.000 peak 5960 weight 0.10000E+01 volume 0.11610E+01 ppm1 0.998 ppm2 1.885
OR { 5960}
(segid " " and resid "156 " and name "HD12")
(segid " " and resid "156 " and name "HG ")
OR { 5960}
(segid " " and resid "156 " and name "HD11")
(segid " " and resid "156 " and name "HG ")
ASSI { 5969}
(segid " " and resid "156 " and name "HG ")
(segid " " and resid "153 " and name "HB3 ")
5.000 5.000 0.000 peak 5969 weight 0.10000E+01 volume 0.52100E+00 ppm1 1.880 ppm2 1.386
OR { 5969}
(segid " " and resid "156 " and name "HG ")
(segid " " and resid "153 " and name "HB1 ")
OR { 5969}
(segid " " and resid "156 " and name "HG ")
(segid " " and resid "153 " and name "HB2 ")
ASSI { 5973}
(segid " " and resid "157 " and name "HE1 ")
(segid " " and resid "157 " and name "HG1 ")
5.000 5.000 0.000 peak 5973 weight 0.10000E+01 volume 0.12060E+01 ppm1 2.052 ppm2 2.331
OR { 5973}
(segid " " and resid "157 " and name "HE3 ")
(segid " " and resid "157 " and name "HG2 ")
OR { 5973}
(segid " " and resid "157 " and name "HE2 ")
(segid " " and resid "157 " and name "HG1 ")
OR { 5973}
(segid " " and resid "157 " and name "HE3 ")
(segid " " and resid "157 " and name "HG1 ")
OR { 5973}
(segid " " and resid "157 " and name "HE1 ")
(segid " " and resid "157 " and name "HG2 ")
OR { 5973}
(segid " " and resid "157 " and name "HE2 ")
(segid " " and resid "157 " and name "HG2 ")
ASSI { 5976}
(segid " " and resid "159 " and name "HD11")
(segid " " and resid "159 " and name "HB ")
5.000 5.000 0.000 peak 5976 weight 0.10000E+01 volume -0.12580E+01 ppm1 0.912 ppm2 1.872
OR { 5976}
(segid " " and resid "159 " and name "HD12")
(segid " " and resid "159 " and name "HB ")
OR { 5976}
(segid " " and resid "159 " and name "HD13")
(segid " " and resid "159 " and name "HB ")
ASSI { 5975}
(segid " " and resid "159 " and name "HD13")
(segid " " and resid "159 " and name "HG12")
5.000 5.000 0.000 peak 5975 weight 0.10000E+01 volume 0.19480E+01 ppm1 0.918 ppm2 1.119
OR { 5975}
(segid " " and resid "159 " and name "HD11")
(segid " " and resid "159 " and name "HG12")
OR { 5975}
(segid " " and resid "159 " and name "HD12")
(segid " " and resid "159 " and name "HG12")
ASSI { 6000}
(segid " " and resid "160 " and name "HD23")
(segid " " and resid "113 " and name "HD13")
5.000 5.000 0.000 peak 6000 weight 0.10000E+01 volume 0.13930E+01 ppm1 0.758 ppm2 0.734
OR { 6000}
(segid " " and resid "160 " and name "HD22")
(segid " " and resid "113 " and name "HD13")
OR { 6000}
(segid " " and resid "160 " and name "HD21")
(segid " " and resid "113 " and name "HD13")
OR { 6000}
(segid " " and resid "160 " and name "HD23")
(segid " " and resid "113 " and name "HD11")
OR { 6000}
(segid " " and resid "160 " and name "HD21")
(segid " " and resid "113 " and name "HD11")
OR { 6000}
(segid " " and resid "160 " and name "HD23")
(segid " " and resid "113 " and name "HD12")
OR { 6000}
(segid " " and resid "160 " and name "HD22")
(segid " " and resid "113 " and name "HD12")
OR { 6000}
(segid " " and resid "160 " and name "HD22")
(segid " " and resid "113 " and name "HD11")
OR { 6000}
(segid " " and resid "160 " and name "HD21")
(segid " " and resid "113 " and name "HD12")
ASSI { 6007}
(segid " " and resid "164 " and name "HE3 ")
(segid " " and resid "164 " and name "HB1 ")
5.000 5.000 0.000 peak 6007 weight 0.10000E+01 volume -0.82400E+00 ppm1 1.973 ppm2 2.303
OR { 6007}
(segid " " and resid "164 " and name "HE2 ")
(segid " " and resid "164 " and name "HB1 ")
OR { 6007}
(segid " " and resid "164 " and name "HE1 ")
(segid " " and resid "164 " and name "HB1 ")
ASSI { 6002}
(segid " " and resid "164 " and name "HE1 ")
(segid " " and resid "164 " and name "HG1 ")
6.000 6.000 0.000 peak 6002 weight 0.10000E+01 volume -0.96000E-01 ppm1 1.973 ppm2 2.703
OR { 6002}
(segid " " and resid "164 " and name "HE3 ")
(segid " " and resid "164 " and name "HG1 ")
OR { 6002}
(segid " " and resid "164 " and name "HE2 ")
(segid " " and resid "164 " and name "HG1 ")
ASSI { 6001}
(segid " " and resid "164 " and name "HE3 ")
(segid " " and resid "164 " and name "HG2 ")
5.000 5.000 0.000 peak 6001 weight 0.10000E+01 volume -0.32400E+00 ppm1 1.973 ppm2 2.341
OR { 6001}
(segid " " and resid "164 " and name "HE2 ")
(segid " " and resid "164 " and name "HG2 ")
OR { 6001}
(segid " " and resid "164 " and name "HE1 ")
(segid " " and resid "164 " and name "HG2 ")
ASSI {12857}
(segid " " and resid "166 " and name "HD13")
(segid " " and resid "166 " and name "HG12")
3.300 3.300 0.000 peak 12857 weight 0.10000E+01 volume 0.27260E+01 ppm1 0.907 ppm2 1.193
OR {12857}
(segid " " and resid "166 " and name "HD11")
(segid " " and resid "166 " and name "HG12")
OR {12857}
(segid " " and resid "166 " and name "HD12")
(segid " " and resid "166 " and name "HG12")
ASSI {12856}
(segid " " and resid "166 " and name "HG21")
(segid " " and resid "166 " and name "HG12")
5.000 5.000 0.000 peak 12856 weight 0.10000E+01 volume 0.52200E+00 ppm1 0.996 ppm2 1.230
OR {12856}
(segid " " and resid "166 " and name "HG23")
(segid " " and resid "166 " and name "HG12")
OR {12856}
(segid " " and resid "166 " and name "HG22")
(segid " " and resid "166 " and name "HG12")
ASSI { 6018}
(segid " " and resid "167 " and name "HD1 ")
(segid " " and resid "166 " and name "HA ")
3.300 3.300 0.000 peak 6018 weight 0.10000E+01 volume 0.20880E+01 ppm1 3.932 ppm2 4.517
ASSI {12853}
(segid " " and resid "167 " and name "HG1 ")
(segid " " and resid "167 " and name "HD1 ")
5.000 5.000 0.000 peak 12853 weight 0.10000E+01 volume -0.62400E+00 ppm1 2.100 ppm2 3.957
ASSI {12852}
(segid " " and resid "167 " and name "HG1 ")
(segid " " and resid "167 " and name "HD2 ")
5.000 5.000 0.000 peak 12852 weight 0.10000E+01 volume -0.71600E+00 ppm1 2.100 ppm2 3.760
ASSI {12854}
(segid " " and resid "167 " and name "HG2 ")
(segid " " and resid "167 " and name "HD2 ")
5.000 5.000 0.000 peak 12854 weight 0.10000E+01 volume -0.58200E+00 ppm1 1.998 ppm2 3.760
ASSI { 8021}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HA ")
5.000 5.000 0.000 peak 8021 weight 0.10000E+01 volume 0.10000E+01 ppm1 8.326 ppm2 4.291
ASSI { 8022}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HB2 ")
5.000 5.000 0.000 peak 8022 weight 0.10000E+01 volume 0.12640E+01 ppm1 8.332 ppm2 2.018
OR { 8022}
(segid " " and resid "7 " and name "HN ")
(segid " " and resid "7 " and name "HB1 ")
ASSI { 8031}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HA2 ")
3.300 3.300 0.000 peak 8031 weight 0.10000E+01 volume 0.17230E+01 ppm1 8.767 ppm2 3.642
OR { 8031}
(segid " " and resid "11 " and name "HN ")
(segid " " and resid "11 " and name "HA1 ")
ASSI { 8035}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HA2 ")
5.000 5.000 0.000 peak 8035 weight 0.10000E+01 volume 0.50700E+00 ppm1 8.088 ppm2 3.640
OR { 8035}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HA1 ")
ASSI { 8036}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "11 " and name "HN ")
5.000 5.000 0.000 peak 8036 weight 0.10000E+01 volume 0.30900E+00 ppm1 8.093 ppm2 8.765
ASSI { 8037}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HA ")
5.000 5.000 0.000 peak 8037 weight 0.10000E+01 volume 0.31100E+00 ppm1 8.087 ppm2 4.600
ASSI { 8038}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HB1 ")
5.000 5.000 0.000 peak 8038 weight 0.10000E+01 volume 0.83900E+00 ppm1 8.083 ppm2 3.035
ASSI { 8039}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "12 " and name "HB2 ")
5.000 5.000 0.000 peak 8039 weight 0.10000E+01 volume 0.54700E+00 ppm1 8.083 ppm2 2.696
ASSI { 8042}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HA ")
5.000 5.000 0.000 peak 8042 weight 0.10000E+01 volume 0.81000E+00 ppm1 8.343 ppm2 4.087
ASSI { 8043}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
2.700 2.700 0.000 peak 8043 weight 0.10000E+01 volume 0.33890E+01 ppm1 8.340 ppm2 1.986
ASSI { 8044}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HB2 ")
3.300 3.300 0.000 peak 8044 weight 0.10000E+01 volume 0.15660E+01 ppm1 8.341 ppm2 1.367
ASSI { 8045}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "14 " and name "HG ")
5.000 5.000 0.000 peak 8045 weight 0.10000E+01 volume 0.99400E+00 ppm1 8.341 ppm2 1.517
ASSI { 8055}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "14 " and name "HB1 ")
5.000 5.000 0.000 peak 8055 weight 0.10000E+01 volume 0.60600E+00 ppm1 8.240 ppm2 2.005
ASSI { 8056}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "15 " and name "HG ")
5.000 5.000 0.000 peak 8056 weight 0.10000E+01 volume 0.39100E+00 ppm1 8.257 ppm2 5.767
ASSI { 8057}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "16 " and name "HN ")
2.700 2.700 0.000 peak 8057 weight 0.10000E+01 volume 0.40520E+01 ppm1 8.256 ppm2 8.347
ASSI { 8064}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "16 " and name "HA2 ")
3.300 3.300 0.000 peak 8064 weight 0.10000E+01 volume 0.27220E+01 ppm1 8.351 ppm2 3.854
ASSI { 8065}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "17 " and name "HN ")
5.000 5.000 0.000 peak 8065 weight 0.10000E+01 volume 0.87100E+00 ppm1 8.350 ppm2 7.618
ASSI { 8070}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HA1 ")
5.000 5.000 0.000 peak 8070 weight 0.10000E+01 volume 0.91600E+00 ppm1 7.620 ppm2 3.954
ASSI { 8071}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "16 " and name "HA2 ")
5.000 5.000 0.000 peak 8071 weight 0.10000E+01 volume 0.70300E+00 ppm1 7.621 ppm2 3.846
ASSI { 8072}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HA ")
5.000 5.000 0.000 peak 8072 weight 0.10000E+01 volume 0.11760E+01 ppm1 7.622 ppm2 4.156
ASSI { 8073}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HB2 ")
3.300 3.300 0.000 peak 8073 weight 0.10000E+01 volume 0.25780E+01 ppm1 7.620 ppm2 1.503
OR { 8073}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HB3 ")
OR { 8073}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "17 " and name "HB1 ")
ASSI { 8079}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "17 " and name "HA ")
5.000 5.000 0.000 peak 8079 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.360 ppm2 4.145
ASSI { 8080}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "17 " and name "HB3 ")
3.300 3.300 0.000 peak 8080 weight 0.10000E+01 volume 0.16310E+01 ppm1 8.359 ppm2 1.507
OR { 8080}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "17 " and name "HB1 ")
OR { 8080}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "17 " and name "HB2 ")
ASSI { 8081}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "17 " and name "HN ")
5.000 5.000 0.000 peak 8081 weight 0.10000E+01 volume 0.12900E+01 ppm1 8.359 ppm2 7.618
ASSI { 8082}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
5.000 5.000 0.000 peak 8082 weight 0.10000E+01 volume 0.10690E+01 ppm1 8.364 ppm2 3.827
ASSI { 8083}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "18 " and name "HB2 ")
2.700 2.700 0.000 peak 8083 weight 0.10000E+01 volume 0.30130E+01 ppm1 8.360 ppm2 1.307
OR { 8083}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "18 " and name "HB3 ")
OR { 8083}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "18 " and name "HB1 ")
ASSI { 8084}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "19 " and name "HN ")
5.000 5.000 0.000 peak 8084 weight 0.10000E+01 volume 0.10380E+01 ppm1 8.359 ppm2 8.965
ASSI { 8089}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "16 " and name "HA1 ")
5.000 5.000 0.000 peak 8089 weight 0.10000E+01 volume 0.39500E+00 ppm1 8.958 ppm2 3.950
ASSI { 8091}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "18 " and name "HB3 ")
5.000 5.000 0.000 peak 8091 weight 0.10000E+01 volume 0.10560E+01 ppm1 8.961 ppm2 1.307
OR { 8091}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "18 " and name "HB1 ")
OR { 8091}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "18 " and name "HB2 ")
ASSI { 8093}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "19 " and name "HA ")
5.000 5.000 0.000 peak 8093 weight 0.10000E+01 volume 0.89400E+00 ppm1 8.968 ppm2 4.294
ASSI { 8094}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "19 " and name "HB3 ")
3.300 3.300 0.000 peak 8094 weight 0.10000E+01 volume 0.28840E+01 ppm1 8.963 ppm2 1.547
OR { 8094}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "19 " and name "HB2 ")
OR { 8094}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "19 " and name "HB1 ")
ASSI { 8095}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "20 " and name "HN ")
5.000 5.000 0.000 peak 8095 weight 0.10000E+01 volume 0.73200E+00 ppm1 8.964 ppm2 7.415
ASSI { 8097}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
6.000 6.000 0.000 peak 8097 weight 0.10000E+01 volume 0.13800E+00 ppm1 7.418 ppm2 3.812
ASSI { 8098}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HA ")
5.000 5.000 0.000 peak 8098 weight 0.10000E+01 volume 0.34700E+00 ppm1 7.419 ppm2 4.300
ASSI { 8099}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HB3 ")
5.000 5.000 0.000 peak 8099 weight 0.10000E+01 volume 0.82800E+00 ppm1 7.418 ppm2 1.549
OR { 8099}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HB1 ")
OR { 8099}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "19 " and name "HB2 ")
ASSI { 8101}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HA ")
5.000 5.000 0.000 peak 8101 weight 0.10000E+01 volume 0.71900E+00 ppm1 7.415 ppm2 4.528
ASSI { 8102}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HB2 ")
3.300 3.300 0.000 peak 8102 weight 0.10000E+01 volume 0.19740E+01 ppm1 7.416 ppm2 1.993
OR { 8102}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HB1 ")
ASSI { 8103}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HG1 ")
3.300 3.300 0.000 peak 8103 weight 0.10000E+01 volume 0.21460E+01 ppm1 7.419 ppm2 1.927
ASSI { 8104}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "20 " and name "HG2 ")
5.000 5.000 0.000 peak 8104 weight 0.10000E+01 volume 0.81800E+00 ppm1 7.413 ppm2 1.813
ASSI { 8105}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "21 " and name "HN ")
5.000 5.000 0.000 peak 8105 weight 0.10000E+01 volume 0.11870E+01 ppm1 7.417 ppm2 7.904
ASSI { 8111}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "18 " and name "HA ")
6.000 6.000 0.000 peak 8111 weight 0.10000E+01 volume 0.22000E+00 ppm1 7.906 ppm2 3.828
ASSI { 8112}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "20 " and name "HA ")
6.000 6.000 0.000 peak 8112 weight 0.10000E+01 volume 0.21300E+00 ppm1 7.900 ppm2 4.536
ASSI { 8113}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "20 " and name "HB2 ")
5.000 5.000 0.000 peak 8113 weight 0.10000E+01 volume 0.51300E+00 ppm1 7.900 ppm2 1.997
OR { 8113}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "20 " and name "HB1 ")
ASSI { 8115}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "21 " and name "HA1 ")
3.300 3.300 0.000 peak 8115 weight 0.10000E+01 volume 0.15170E+01 ppm1 7.906 ppm2 4.288
ASSI { 8116}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "21 " and name "HA2 ")
3.300 3.300 0.000 peak 8116 weight 0.10000E+01 volume 0.15700E+01 ppm1 7.905 ppm2 3.575
ASSI { 8117}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "22 " and name "HN ")
5.000 5.000 0.000 peak 8117 weight 0.10000E+01 volume 0.11370E+01 ppm1 7.903 ppm2 8.161
ASSI { 8121}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HB1 ")
3.300 3.300 0.000 peak 8121 weight 0.10000E+01 volume 0.16010E+01 ppm1 8.153 ppm2 3.068
ASSI { 8122}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "22 " and name "HB2 ")
3.300 3.300 0.000 peak 8122 weight 0.10000E+01 volume 0.15970E+01 ppm1 8.153 ppm2 2.437
ASSI { 8126}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "22 " and name "HA ")
2.700 2.700 0.000 peak 8126 weight 0.10000E+01 volume 0.32590E+01 ppm1 7.877 ppm2 4.725
ASSI { 8129}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "23 " and name "HA ")
5.000 5.000 0.000 peak 8129 weight 0.10000E+01 volume 0.81300E+00 ppm1 7.875 ppm2 3.371
ASSI { 8130}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "23 " and name "HB ")
5.000 5.000 0.000 peak 8130 weight 0.10000E+01 volume 0.14920E+01 ppm1 7.874 ppm2 1.959
ASSI { 8131}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "24 " and name "HN ")
5.000 5.000 0.000 peak 8131 weight 0.10000E+01 volume 0.99700E+00 ppm1 7.876 ppm2 8.438
ASSI { 8134}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HA ")
5.000 5.000 0.000 peak 8134 weight 0.10000E+01 volume 0.31400E+00 ppm1 8.440 ppm2 3.367
ASSI { 8135}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HB ")
5.000 5.000 0.000 peak 8135 weight 0.10000E+01 volume 0.93800E+00 ppm1 8.444 ppm2 1.960
ASSI { 8136}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HG21")
5.000 5.000 0.000 peak 8136 weight 0.10000E+01 volume 0.12340E+01 ppm1 8.443 ppm2 0.914
OR { 8136}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HG22")
OR { 8136}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "23 " and name "HG23")
ASSI { 8138}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HA ")
5.000 5.000 0.000 peak 8138 weight 0.10000E+01 volume 0.84200E+00 ppm1 8.447 ppm2 4.009
ASSI { 8139}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HB2 ")
2.700 2.700 0.000 peak 8139 weight 0.10000E+01 volume 0.30670E+01 ppm1 8.443 ppm2 2.208
OR { 8139}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
ASSI { 8140}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HG2 ")
5.000 5.000 0.000 peak 8140 weight 0.10000E+01 volume 0.10070E+01 ppm1 8.445 ppm2 2.482
OR { 8140}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "24 " and name "HG1 ")
ASSI { 8141}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "25 " and name "HN ")
5.000 5.000 0.000 peak 8141 weight 0.10000E+01 volume 0.11130E+01 ppm1 8.444 ppm2 7.741
ASSI { 8144}
(segid " " and resid "24 " and name "HE22")
(segid " " and resid "24 " and name "HE21")
3.300 3.300 0.000 peak 8144 weight 0.10000E+01 volume 0.28250E+01 ppm1 6.874 ppm2 7.603
ASSI { 8153}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HA ")
5.000 5.000 0.000 peak 8153 weight 0.10000E+01 volume 0.30000E+00 ppm1 7.740 ppm2 4.013
ASSI { 8154}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "24 " and name "HB1 ")
5.000 5.000 0.000 peak 8154 weight 0.10000E+01 volume 0.13540E+01 ppm1 7.742 ppm2 2.231
ASSI { 8156}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "25 " and name "HA ")
5.000 5.000 0.000 peak 8156 weight 0.10000E+01 volume 0.65200E+00 ppm1 7.745 ppm2 4.620
ASSI { 8157}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "25 " and name "HB2 ")
5.000 5.000 0.000 peak 8157 weight 0.10000E+01 volume 0.14010E+01 ppm1 7.742 ppm2 1.584
ASSI { 8158}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "25 " and name "HG1 ")
5.000 5.000 0.000 peak 8158 weight 0.10000E+01 volume 0.46100E+00 ppm1 7.741 ppm2 2.348
ASSI { 8159}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "26 " and name "HN ")
5.000 5.000 0.000 peak 8159 weight 0.10000E+01 volume 0.10730E+01 ppm1 7.745 ppm2 8.136
ASSI { 8162}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "26 " and name "HB ")
2.700 2.700 0.000 peak 8162 weight 0.10000E+01 volume 0.32380E+01 ppm1 8.130 ppm2 2.166
ASSI { 8166}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "29 " and name "HN ")
5.000 5.000 0.000 peak 8166 weight 0.10000E+01 volume 0.12470E+01 ppm1 8.142 ppm2 8.557
ASSI { 8173}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "26 " and name "HA ")
6.000 6.000 0.000 peak 8173 weight 0.10000E+01 volume 0.20700E+00 ppm1 8.568 ppm2 3.386
ASSI { 8174}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HA ")
5.000 5.000 0.000 peak 8174 weight 0.10000E+01 volume 0.50400E+00 ppm1 8.570 ppm2 4.003
ASSI { 8175}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "28 " and name "HG1 ")
5.000 5.000 0.000 peak 8175 weight 0.10000E+01 volume 0.82700E+00 ppm1 8.570 ppm2 1.678
ASSI { 8176}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HA ")
5.000 5.000 0.000 peak 8176 weight 0.10000E+01 volume 0.70000E+00 ppm1 8.568 ppm2 3.897
ASSI { 8177}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HB2 ")
5.000 5.000 0.000 peak 8177 weight 0.10000E+01 volume 0.79800E+00 ppm1 8.570 ppm2 1.085
ASSI { 8178}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HD13")
5.000 5.000 0.000 peak 8178 weight 0.10000E+01 volume 0.14480E+01 ppm1 8.568 ppm2 0.757
OR { 8178}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HD11")
OR { 8178}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HD12")
ASSI { 8179}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "29 " and name "HG ")
3.300 3.300 0.000 peak 8179 weight 0.10000E+01 volume 0.22160E+01 ppm1 8.569 ppm2 1.823
ASSI { 8182}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "27 " and name "HA ")
6.000 6.000 0.000 peak 8182 weight 0.10000E+01 volume 0.20500E+00 ppm1 8.155 ppm2 3.661
ASSI { 8184}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HA ")
6.000 6.000 0.000 peak 8184 weight 0.10000E+01 volume 0.20200E+00 ppm1 8.149 ppm2 3.900
ASSI { 8185}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HB2 ")
5.000 5.000 0.000 peak 8185 weight 0.10000E+01 volume 0.84400E+00 ppm1 8.150 ppm2 1.066
ASSI { 8186}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "29 " and name "HN ")
5.000 5.000 0.000 peak 8186 weight 0.10000E+01 volume 0.40700E+00 ppm1 8.152 ppm2 8.559
ASSI { 8187}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HA ")
5.000 5.000 0.000 peak 8187 weight 0.10000E+01 volume 0.44900E+00 ppm1 8.151 ppm2 4.228
ASSI { 8188}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HB1 ")
5.000 5.000 0.000 peak 8188 weight 0.10000E+01 volume 0.11170E+01 ppm1 8.151 ppm2 1.577
ASSI { 8189}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HD12")
5.000 5.000 0.000 peak 8189 weight 0.10000E+01 volume 0.65100E+00 ppm1 8.152 ppm2 0.665
OR { 8189}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HD13")
OR { 8189}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HD11")
ASSI { 8190}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "30 " and name "HG ")
3.300 3.300 0.000 peak 8190 weight 0.10000E+01 volume 0.22320E+01 ppm1 8.147 ppm2 1.973
ASSI { 8191}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "31 " and name "HN ")
5.000 5.000 0.000 peak 8191 weight 0.10000E+01 volume 0.59100E+00 ppm1 8.149 ppm2 8.746
ASSI { 8196}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HA ")
6.000 6.000 0.000 peak 8196 weight 0.10000E+01 volume 0.10100E+00 ppm1 8.748 ppm2 4.232
ASSI { 8197}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HB1 ")
5.000 5.000 0.000 peak 8197 weight 0.10000E+01 volume 0.67300E+00 ppm1 8.750 ppm2 1.577
ASSI { 8198}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HB2 ")
5.000 5.000 0.000 peak 8198 weight 0.10000E+01 volume 0.32800E+00 ppm1 8.743 ppm2 1.004
ASSI { 8199}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HD12")
6.000 6.000 0.000 peak 8199 weight 0.10000E+01 volume 0.14100E+00 ppm1 8.755 ppm2 0.661
OR { 8199}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HD11")
OR { 8199}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "30 " and name "HD13")
ASSI { 8201}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HA ")
5.000 5.000 0.000 peak 8201 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.746 ppm2 4.647
ASSI { 8202}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HB2 ")
5.000 5.000 0.000 peak 8202 weight 0.10000E+01 volume 0.12120E+01 ppm1 8.747 ppm2 3.122
OR { 8202}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HB1 ")
ASSI { 8203}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "31 " and name "HD2 ")
6.000 6.000 0.000 peak 8203 weight 0.10000E+01 volume 0.20400E+00 ppm1 8.756 ppm2 6.963
ASSI { 8204}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "32 " and name "HN ")
5.000 5.000 0.000 peak 8204 weight 0.10000E+01 volume 0.10510E+01 ppm1 8.745 ppm2 8.405
ASSI { 8206}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "31 " and name "HA ")
5.000 5.000 0.000 peak 8206 weight 0.10000E+01 volume 0.93600E+00 ppm1 8.406 ppm2 4.648
ASSI { 8208}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "33 " and name "HN ")
3.300 3.300 0.000 peak 8208 weight 0.10000E+01 volume 0.16160E+01 ppm1 8.404 ppm2 7.535
ASSI { 8217}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "33 " and name "HA ")
5.000 5.000 0.000 peak 8217 weight 0.10000E+01 volume 0.52500E+00 ppm1 7.546 ppm2 4.456
ASSI { 8218}
(segid " " and resid "33 " and name "HN ")
(segid " " and resid "34 " and name "HN ")
5.000 5.000 0.000 peak 8218 weight 0.10000E+01 volume 0.83900E+00 ppm1 7.542 ppm2 6.815
ASSI { 8224}
(segid " " and resid "34 " and name "HN ")
(segid " " and resid "33 " and name "HA ")
5.000 5.000 0.000 peak 8224 weight 0.10000E+01 volume 0.30600E+00 ppm1 6.810 ppm2 4.453
ASSI { 8226}
(segid " " and resid "34 " and name "HN ")
(segid " " and resid "34 " and name "HA ")
3.300 3.300 0.000 peak 8226 weight 0.10000E+01 volume 0.20520E+01 ppm1 6.812 ppm2 4.012
ASSI { 8227}
(segid " " and resid "34 " and name "HN ")
(segid " " and resid "34 " and name "HD21")
5.000 5.000 0.000 peak 8227 weight 0.10000E+01 volume 0.60000E+00 ppm1 6.817 ppm2 0.837
OR { 8227}
(segid " " and resid "34 " and name "HN ")
(segid " " and resid "34 " and name "HD23")
OR { 8227}
(segid " " and resid "34 " and name "HN ")
(segid " " and resid "34 " and name "HD22")
ASSI { 8228}
(segid " " and resid "34 " and name "HN ")
(segid " " and resid "34 " and name "HG ")
5.000 5.000 0.000 peak 8228 weight 0.10000E+01 volume 0.32900E+00 ppm1 6.815 ppm2 1.383
ASSI { 8229}
(segid " " and resid "34 " and name "HN ")
(segid " " and resid "35 " and name "HN ")
5.000 5.000 0.000 peak 8229 weight 0.10000E+01 volume 0.63800E+00 ppm1 6.807 ppm2 7.974
ASSI { 8230}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "34 " and name "HA ")
5.000 5.000 0.000 peak 8230 weight 0.10000E+01 volume 0.71700E+00 ppm1 7.965 ppm2 4.010
ASSI { 8232}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HA ")
5.000 5.000 0.000 peak 8232 weight 0.10000E+01 volume 0.65200E+00 ppm1 7.966 ppm2 3.788
ASSI { 8233}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HB ")
3.300 3.300 0.000 peak 8233 weight 0.10000E+01 volume 0.16870E+01 ppm1 7.971 ppm2 1.582
ASSI { 8234}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HG11")
3.300 3.300 0.000 peak 8234 weight 0.10000E+01 volume 0.28070E+01 ppm1 7.971 ppm2 0.954
OR { 8234}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HG23")
OR { 8234}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HG12")
OR { 8234}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HG22")
OR { 8234}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HG13")
OR { 8234}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "35 " and name "HG21")
ASSI { 8238}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HA ")
3.300 3.300 0.000 peak 8238 weight 0.10000E+01 volume -0.26340E+01 ppm1 8.809 ppm2 3.791
ASSI { 8239}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HB ")
6.000 6.000 0.000 peak 8239 weight 0.10000E+01 volume -0.20600E+00 ppm1 8.813 ppm2 1.585
ASSI { 8240}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HG22")
5.000 5.000 0.000 peak 8240 weight 0.10000E+01 volume -0.11560E+01 ppm1 8.809 ppm2 0.936
OR { 8240}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HG21")
OR { 8240}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "35 " and name "HG23")
ASSI { 8241}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "36 " and name "HA ")
5.000 5.000 0.000 peak 8241 weight 0.10000E+01 volume -0.52000E+00 ppm1 8.809 ppm2 4.378
ASSI { 8242}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "36 " and name "HB1 ")
5.000 5.000 0.000 peak 8242 weight 0.10000E+01 volume -0.12420E+01 ppm1 8.809 ppm2 3.204
ASSI { 8243}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "36 " and name "HB2 ")
5.000 5.000 0.000 peak 8243 weight 0.10000E+01 volume -0.12230E+01 ppm1 8.809 ppm2 2.884
ASSI { 8247}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "37 " and name "HG2 ")
5.000 5.000 0.000 peak 8247 weight 0.10000E+01 volume 0.53200E+00 ppm1 10.208 ppm2 1.379
ASSI { 8248}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HA ")
5.000 5.000 0.000 peak 8248 weight 0.10000E+01 volume 0.32200E+00 ppm1 10.214 ppm2 5.146
ASSI { 8249}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HB1 ")
5.000 5.000 0.000 peak 8249 weight 0.10000E+01 volume 0.81200E+00 ppm1 10.205 ppm2 3.208
ASSI { 8250}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "38 " and name "HB2 ")
5.000 5.000 0.000 peak 8250 weight 0.10000E+01 volume 0.10600E+01 ppm1 10.208 ppm2 2.590
ASSI { 8251}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "39 " and name "HN ")
5.000 5.000 0.000 peak 8251 weight 0.10000E+01 volume 0.13430E+01 ppm1 10.206 ppm2 7.864
ASSI { 8257}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HA ")
5.000 5.000 0.000 peak 8257 weight 0.10000E+01 volume 0.61100E+00 ppm1 7.863 ppm2 5.148
ASSI { 8258}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HB1 ")
6.000 6.000 0.000 peak 8258 weight 0.10000E+01 volume 0.21300E+00 ppm1 7.859 ppm2 3.212
ASSI { 8259}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "38 " and name "HB2 ")
6.000 6.000 0.000 peak 8259 weight 0.10000E+01 volume 0.20000E+00 ppm1 7.859 ppm2 2.593
ASSI { 8261}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HA ")
3.300 3.300 0.000 peak 8261 weight 0.10000E+01 volume 0.18270E+01 ppm1 7.859 ppm2 4.054
ASSI { 8262}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HB3 ")
2.700 2.700 0.000 peak 8262 weight 0.10000E+01 volume 0.64140E+01 ppm1 7.856 ppm2 1.387
OR { 8262}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HB1 ")
OR { 8262}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "39 " and name "HB2 ")
ASSI { 8264}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HA ")
2.700 2.700 0.000 peak 8264 weight 0.10000E+01 volume 0.32280E+01 ppm1 8.300 ppm2 4.049
ASSI { 8265}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HB2 ")
5.000 5.000 0.000 peak 8265 weight 0.10000E+01 volume 0.10420E+01 ppm1 8.297 ppm2 1.389
OR { 8265}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HB1 ")
OR { 8265}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "39 " and name "HB3 ")
ASSI { 8267}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HA ")
5.000 5.000 0.000 peak 8267 weight 0.10000E+01 volume 0.10070E+01 ppm1 8.305 ppm2 4.317
ASSI { 8268}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HB2 ")
5.000 5.000 0.000 peak 8268 weight 0.10000E+01 volume 0.71600E+00 ppm1 8.306 ppm2 1.266
ASSI { 8269}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HD11")
5.000 5.000 0.000 peak 8269 weight 0.10000E+01 volume 0.37800E+00 ppm1 8.307 ppm2 0.908
OR { 8269}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HD13")
OR { 8269}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HD12")
ASSI { 8270}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HD23")
5.000 5.000 0.000 peak 8270 weight 0.10000E+01 volume 0.50900E+00 ppm1 8.305 ppm2 0.669
OR { 8270}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HD22")
OR { 8270}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "40 " and name "HD21")
ASSI { 8271}
(segid " " and resid "40 " and name "HN ")
(segid " " and resid "41 " and name "HN ")
6.000 6.000 0.000 peak 8271 weight 0.10000E+01 volume 0.27600E+00 ppm1 8.305 ppm2 8.834
ASSI { 8273}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HA ")
3.300 3.300 0.000 peak 8273 weight 0.10000E+01 volume 0.21190E+01 ppm1 8.847 ppm2 4.315
ASSI { 8274}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HB1 ")
5.000 5.000 0.000 peak 8274 weight 0.10000E+01 volume 0.35000E+00 ppm1 8.854 ppm2 1.790
ASSI { 8275}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HB2 ")
5.000 5.000 0.000 peak 8275 weight 0.10000E+01 volume 0.47700E+00 ppm1 8.851 ppm2 1.269
ASSI { 8276}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HD22")
5.000 5.000 0.000 peak 8276 weight 0.10000E+01 volume 0.41900E+00 ppm1 8.847 ppm2 0.671
OR { 8276}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HD23")
OR { 8276}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "40 " and name "HD21")
ASSI { 8277}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HA ")
5.000 5.000 0.000 peak 8277 weight 0.10000E+01 volume 0.50300E+00 ppm1 8.849 ppm2 4.486
ASSI { 8278}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HB1 ")
6.000 6.000 0.000 peak 8278 weight 0.10000E+01 volume 0.23500E+00 ppm1 8.863 ppm2 3.909
ASSI { 8279}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HB2 ")
6.000 6.000 0.000 peak 8279 weight 0.10000E+01 volume 0.29800E+00 ppm1 8.849 ppm2 2.812
ASSI { 8280}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "45 " and name "HN ")
5.000 5.000 0.000 peak 8280 weight 0.10000E+01 volume 0.31600E+00 ppm1 8.850 ppm2 7.449
ASSI { 8284}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HB1 ")
5.000 5.000 0.000 peak 8284 weight 0.10000E+01 volume 0.78700E+00 ppm1 9.846 ppm2 3.893
ASSI { 8285}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "41 " and name "HB2 ")
5.000 5.000 0.000 peak 8285 weight 0.10000E+01 volume 0.51300E+00 ppm1 9.847 ppm2 2.825
ASSI { 8286}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HA ")
5.000 5.000 0.000 peak 8286 weight 0.10000E+01 volume 0.44900E+00 ppm1 9.850 ppm2 4.166
ASSI { 8287}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HB1 ")
5.000 5.000 0.000 peak 8287 weight 0.10000E+01 volume 0.56300E+00 ppm1 9.851 ppm2 1.897
ASSI { 8288}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HB2 ")
5.000 5.000 0.000 peak 8288 weight 0.10000E+01 volume 0.56100E+00 ppm1 9.847 ppm2 1.770
ASSI { 8289}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HD2 ")
6.000 6.000 0.000 peak 8289 weight 0.10000E+01 volume 0.18500E+00 ppm1 9.850 ppm2 2.951
OR { 8289}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HD1 ")
ASSI { 8290}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HG1 ")
5.000 5.000 0.000 peak 8290 weight 0.10000E+01 volume 0.48500E+00 ppm1 9.847 ppm2 1.255
ASSI { 8291}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "42 " and name "HG2 ")
6.000 6.000 0.000 peak 8291 weight 0.10000E+01 volume 0.22700E+00 ppm1 9.852 ppm2 0.265
ASSI { 8292}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "43 " and name "HN ")
5.000 5.000 0.000 peak 8292 weight 0.10000E+01 volume 0.41100E+00 ppm1 9.845 ppm2 7.934
ASSI { 8293}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "42 " and name "HG2 ")
6.000 6.000 0.000 peak 8293 weight 0.10000E+01 volume 0.17700E+00 ppm1 7.927 ppm2 0.277
ASSI { 8294}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HA ")
5.000 5.000 0.000 peak 8294 weight 0.10000E+01 volume 0.70000E+00 ppm1 7.936 ppm2 4.855
ASSI { 8295}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HB1 ")
5.000 5.000 0.000 peak 8295 weight 0.10000E+01 volume 0.60400E+00 ppm1 7.929 ppm2 3.553
ASSI { 8296}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HB2 ")
3.300 3.300 0.000 peak 8296 weight 0.10000E+01 volume 0.18480E+01 ppm1 7.927 ppm2 2.797
ASSI { 8297}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HD2 ")
5.000 5.000 0.000 peak 8297 weight 0.10000E+01 volume 0.57600E+00 ppm1 7.925 ppm2 7.228
OR { 8297}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "43 " and name "HD1 ")
ASSI { 8298}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "44 " and name "HN ")
3.300 3.300 0.000 peak 8298 weight 0.10000E+01 volume 0.16240E+01 ppm1 7.925 ppm2 8.491
ASSI { 8304}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HB1 ")
6.000 6.000 0.000 peak 8304 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.494 ppm2 3.550
ASSI { 8305}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "43 " and name "HB2 ")
6.000 6.000 0.000 peak 8305 weight 0.10000E+01 volume 0.11400E+00 ppm1 8.496 ppm2 2.815
ASSI { 8307}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "44 " and name "HA1 ")
5.000 5.000 0.000 peak 8307 weight 0.10000E+01 volume 0.13400E+01 ppm1 8.492 ppm2 4.211
ASSI { 8308}
(segid " " and resid "44 " and name "HN ")
(segid " " and resid "44 " and name "HA2 ")
5.000 5.000 0.000 peak 8308 weight 0.10000E+01 volume 0.14090E+01 ppm1 8.492 ppm2 3.716
ASSI { 8313}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "43 " and name "HN ")
5.000 5.000 0.000 peak 8313 weight 0.10000E+01 volume 0.38400E+00 ppm1 7.458 ppm2 7.932
ASSI { 8314}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA1 ")
5.000 5.000 0.000 peak 8314 weight 0.10000E+01 volume 0.49400E+00 ppm1 7.453 ppm2 4.211
ASSI { 8315}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HA2 ")
5.000 5.000 0.000 peak 8315 weight 0.10000E+01 volume 0.50700E+00 ppm1 7.462 ppm2 3.716
ASSI { 8316}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "44 " and name "HN ")
3.300 3.300 0.000 peak 8316 weight 0.10000E+01 volume 0.16980E+01 ppm1 7.452 ppm2 8.489
ASSI { 8317}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HA ")
5.000 5.000 0.000 peak 8317 weight 0.10000E+01 volume 0.50200E+00 ppm1 7.458 ppm2 4.858
ASSI { 8318}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HB1 ")
5.000 5.000 0.000 peak 8318 weight 0.10000E+01 volume 0.53300E+00 ppm1 7.457 ppm2 1.880
ASSI { 8319}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HB2 ")
5.000 5.000 0.000 peak 8319 weight 0.10000E+01 volume 0.95500E+00 ppm1 7.456 ppm2 1.544
ASSI { 8320}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "45 " and name "HG1 ")
5.000 5.000 0.000 peak 8320 weight 0.10000E+01 volume 0.68800E+00 ppm1 7.464 ppm2 1.393
ASSI { 8327}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HA ")
3.300 3.300 0.000 peak 8327 weight 0.10000E+01 volume 0.15750E+01 ppm1 9.207 ppm2 4.857
ASSI { 8328}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "45 " and name "HG2 ")
6.000 6.000 0.000 peak 8328 weight 0.10000E+01 volume 0.22900E+00 ppm1 9.200 ppm2 1.347
ASSI { 8329}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG22")
5.000 5.000 0.000 peak 8329 weight 0.10000E+01 volume 0.89100E+00 ppm1 9.210 ppm2 1.202
OR { 8329}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG21")
OR { 8329}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "46 " and name "HG23")
ASSI { 8332}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "46 " and name "HB ")
5.000 5.000 0.000 peak 8332 weight 0.10000E+01 volume 0.69400E+00 ppm1 10.260 ppm2 4.915
ASSI { 8333}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HB2 ")
5.000 5.000 0.000 peak 8333 weight 0.10000E+01 volume 0.10980E+01 ppm1 10.255 ppm2 1.227
OR { 8333}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HB1 ")
OR { 8333}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "47 " and name "HB3 ")
ASSI { 8336}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HB3 ")
3.300 3.300 0.000 peak 8336 weight 0.10000E+01 volume 0.16730E+01 ppm1 8.373 ppm2 1.233
OR { 8336}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HB2 ")
OR { 8336}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "47 " and name "HB1 ")
ASSI { 8338}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HA ")
5.000 5.000 0.000 peak 8338 weight 0.10000E+01 volume 0.80100E+00 ppm1 8.377 ppm2 3.766
ASSI { 8339}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HB1 ")
3.300 3.300 0.000 peak 8339 weight 0.10000E+01 volume 0.29570E+01 ppm1 8.379 ppm2 1.557
ASSI { 8340}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "48 " and name "HB2 ")
3.300 3.300 0.000 peak 8340 weight 0.10000E+01 volume 0.17070E+01 ppm1 8.373 ppm2 1.405
ASSI { 8341}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "49 " and name "HN ")
5.000 5.000 0.000 peak 8341 weight 0.10000E+01 volume 0.39600E+00 ppm1 8.372 ppm2 7.384
ASSI { 8347}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "48 " and name "HB2 ")
5.000 5.000 0.000 peak 8347 weight 0.10000E+01 volume 0.36500E+00 ppm1 7.384 ppm2 1.405
ASSI { 8349}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HA ")
5.000 5.000 0.000 peak 8349 weight 0.10000E+01 volume 0.54300E+00 ppm1 7.377 ppm2 4.188
ASSI { 8350}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HB1 ")
5.000 5.000 0.000 peak 8350 weight 0.10000E+01 volume 0.64500E+00 ppm1 7.382 ppm2 2.615
ASSI { 8351}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HB2 ")
5.000 5.000 0.000 peak 8351 weight 0.10000E+01 volume 0.82300E+00 ppm1 7.383 ppm2 2.143
ASSI { 8352}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HG1 ")
5.000 5.000 0.000 peak 8352 weight 0.10000E+01 volume 0.78200E+00 ppm1 7.380 ppm2 2.704
ASSI { 8353}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "49 " and name "HG2 ")
5.000 5.000 0.000 peak 8353 weight 0.10000E+01 volume 0.64400E+00 ppm1 7.382 ppm2 2.222
ASSI { 8354}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "50 " and name "HN ")
5.000 5.000 0.000 peak 8354 weight 0.10000E+01 volume 0.87700E+00 ppm1 7.384 ppm2 7.183
ASSI { 8359}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HA ")
5.000 5.000 0.000 peak 8359 weight 0.10000E+01 volume 0.33500E+00 ppm1 7.190 ppm2 4.642
ASSI { 8360}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HB ")
6.000 6.000 0.000 peak 8360 weight 0.10000E+01 volume 0.28100E+00 ppm1 7.187 ppm2 2.508
ASSI { 8361}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HG22")
3.300 3.300 0.000 peak 8361 weight 0.10000E+01 volume 0.26260E+01 ppm1 7.191 ppm2 0.898
OR { 8361}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HG21")
OR { 8361}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "50 " and name "HG23")
ASSI { 8365}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HA ")
6.000 6.000 0.000 peak 8365 weight 0.10000E+01 volume 0.24300E+00 ppm1 6.858 ppm2 4.644
ASSI { 8366}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HG22")
5.000 5.000 0.000 peak 8366 weight 0.10000E+01 volume 0.76100E+00 ppm1 6.849 ppm2 0.904
OR { 8366}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HG21")
OR { 8366}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HG23")
ASSI { 8367}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "50 " and name "HN ")
3.300 3.300 0.000 peak 8367 weight 0.10000E+01 volume 0.18150E+01 ppm1 6.851 ppm2 7.183
ASSI { 8368}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HA ")
5.000 5.000 0.000 peak 8368 weight 0.10000E+01 volume 0.47700E+00 ppm1 6.852 ppm2 3.446
ASSI { 8369}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HB1 ")
5.000 5.000 0.000 peak 8369 weight 0.10000E+01 volume 0.87800E+00 ppm1 6.848 ppm2 1.947
ASSI { 8370}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HB2 ")
5.000 5.000 0.000 peak 8370 weight 0.10000E+01 volume 0.43500E+00 ppm1 6.847 ppm2 1.440
ASSI { 8371}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HG1 ")
5.000 5.000 0.000 peak 8371 weight 0.10000E+01 volume 0.12480E+01 ppm1 6.851 ppm2 2.324
ASSI { 8372}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "51 " and name "HG2 ")
5.000 5.000 0.000 peak 8372 weight 0.10000E+01 volume 0.64600E+00 ppm1 6.839 ppm2 1.179
ASSI { 8377}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "51 " and name "HA ")
5.000 5.000 0.000 peak 8377 weight 0.10000E+01 volume 0.13160E+01 ppm1 7.133 ppm2 3.442
ASSI { 8378}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "51 " and name "HB2 ")
5.000 5.000 0.000 peak 8378 weight 0.10000E+01 volume 0.49700E+00 ppm1 7.128 ppm2 1.442
ASSI { 8379}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HA ")
3.300 3.300 0.000 peak 8379 weight 0.10000E+01 volume 0.16540E+01 ppm1 7.131 ppm2 4.277
ASSI { 8380}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "52 " and name "HB2 ")
5.000 5.000 0.000 peak 8380 weight 0.10000E+01 volume 0.87100E+00 ppm1 7.125 ppm2 1.844
ASSI { 8383}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "52 " and name "HA ")
3.300 3.300 0.000 peak 8383 weight 0.10000E+01 volume -0.22690E+01 ppm1 8.288 ppm2 4.245
ASSI { 8384}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "52 " and name "HG1 ")
6.000 6.000 0.000 peak 8384 weight 0.10000E+01 volume -0.21700E+00 ppm1 8.294 ppm2 2.562
ASSI { 8385}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HA ")
5.000 5.000 0.000 peak 8385 weight 0.10000E+01 volume -0.44500E+00 ppm1 8.288 ppm2 3.915
ASSI { 8386}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HB1 ")
5.000 5.000 0.000 peak 8386 weight 0.10000E+01 volume -0.56700E+00 ppm1 8.291 ppm2 2.837
ASSI { 8387}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HB2 ")
5.000 5.000 0.000 peak 8387 weight 0.10000E+01 volume -0.10030E+01 ppm1 8.294 ppm2 2.717
ASSI { 8388}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD1 ")
5.000 5.000 0.000 peak 8388 weight 0.10000E+01 volume -0.47700E+00 ppm1 8.290 ppm2 7.193
OR { 8388}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HD2 ")
ASSI { 8389}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "53 " and name "HZ ")
6.000 6.000 0.000 peak 8389 weight 0.10000E+01 volume -0.96000E-01 ppm1 8.287 ppm2 7.446
ASSI { 8391}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HA1 ")
5.000 5.000 0.000 peak 8391 weight 0.10000E+01 volume -0.64300E+00 ppm1 7.877 ppm2 3.198
ASSI { 8392}
(segid " " and resid "54 " and name "HN ")
(segid " " and resid "54 " and name "HA2 ")
5.000 5.000 0.000 peak 8392 weight 0.10000E+01 volume -0.60900E+00 ppm1 7.877 ppm2 3.143
ASSI { 8397}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HA2 ")
5.000 5.000 0.000 peak 8397 weight 0.10000E+01 volume 0.52300E+00 ppm1 7.499 ppm2 3.158
ASSI { 8398}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "54 " and name "HN ")
6.000 6.000 0.000 peak 8398 weight 0.10000E+01 volume 0.28300E+00 ppm1 7.503 ppm2 7.890
ASSI { 8399}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "55 " and name "HA ")
5.000 5.000 0.000 peak 8399 weight 0.10000E+01 volume 0.32000E+00 ppm1 7.495 ppm2 5.065
ASSI { 8400}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "55 " and name "HB1 ")
3.300 3.300 0.000 peak 8400 weight 0.10000E+01 volume 0.16110E+01 ppm1 7.490 ppm2 3.982
ASSI { 8401}
(segid " " and resid "55 " and name "HN ")
(segid " " and resid "55 " and name "HB2 ")
5.000 5.000 0.000 peak 8401 weight 0.10000E+01 volume 0.13840E+01 ppm1 7.487 ppm2 3.703
ASSI { 8407}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HB2 ")
5.000 5.000 0.000 peak 8407 weight 0.10000E+01 volume 0.91000E+00 ppm1 8.043 ppm2 1.973
OR { 8407}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HB1 ")
ASSI { 8408}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HD2 ")
6.000 6.000 0.000 peak 8408 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.043 ppm2 3.372
ASSI { 8409}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HG2 ")
5.000 5.000 0.000 peak 8409 weight 0.10000E+01 volume 0.10740E+01 ppm1 8.046 ppm2 2.048
OR { 8409}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "56 " and name "HG1 ")
ASSI { 8410}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "57 " and name "HA ")
5.000 5.000 0.000 peak 8410 weight 0.10000E+01 volume 0.82000E+00 ppm1 8.043 ppm2 4.104
ASSI { 8411}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "57 " and name "HB3 ")
3.300 3.300 0.000 peak 8411 weight 0.10000E+01 volume 0.25350E+01 ppm1 8.043 ppm2 1.442
OR { 8411}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "57 " and name "HB2 ")
OR { 8411}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "57 " and name "HB1 ")
ASSI { 8412}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "58 " and name "HN ")
5.000 5.000 0.000 peak 8412 weight 0.10000E+01 volume 0.59100E+00 ppm1 8.046 ppm2 7.799
ASSI { 8415}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
5.000 5.000 0.000 peak 8415 weight 0.10000E+01 volume 0.77800E+00 ppm1 7.805 ppm2 3.414
ASSI { 8416}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HB ")
3.300 3.300 0.000 peak 8416 weight 0.10000E+01 volume 0.21180E+01 ppm1 7.805 ppm2 2.322
ASSI { 8418}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG12")
3.300 3.300 0.000 peak 8418 weight 0.10000E+01 volume 0.26240E+01 ppm1 7.807 ppm2 0.918
OR { 8418}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG11")
OR { 8418}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG13")
ASSI { 8417}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG22")
2.700 2.700 0.000 peak 8417 weight 0.10000E+01 volume 0.31030E+01 ppm1 7.805 ppm2 0.982
OR { 8417}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG21")
OR { 8417}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "58 " and name "HG23")
ASSI { 8419}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "59 " and name "HN ")
5.000 5.000 0.000 peak 8419 weight 0.10000E+01 volume 0.12830E+01 ppm1 7.799 ppm2 7.069
ASSI { 8425}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "56 " and name "HA ")
5.000 5.000 0.000 peak 8425 weight 0.10000E+01 volume 0.40700E+00 ppm1 7.072 ppm2 4.316
ASSI { 8426}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
5.000 5.000 0.000 peak 8426 weight 0.10000E+01 volume 0.40700E+00 ppm1 7.073 ppm2 3.417
ASSI { 8427}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "58 " and name "HB ")
5.000 5.000 0.000 peak 8427 weight 0.10000E+01 volume 0.99100E+00 ppm1 7.064 ppm2 2.318
ASSI { 8429}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HA ")
5.000 5.000 0.000 peak 8429 weight 0.10000E+01 volume 0.67900E+00 ppm1 7.068 ppm2 3.733
ASSI { 8430}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
3.300 3.300 0.000 peak 8430 weight 0.10000E+01 volume 0.24210E+01 ppm1 7.066 ppm2 1.312
OR { 8430}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HB1 ")
OR { 8430}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "59 " and name "HB3 ")
ASSI { 8431}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "60 " and name "HN ")
5.000 5.000 0.000 peak 8431 weight 0.10000E+01 volume 0.72500E+00 ppm1 7.071 ppm2 8.383
ASSI { 8432}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "57 " and name "HA ")
5.000 5.000 0.000 peak 8432 weight 0.10000E+01 volume 0.44300E+00 ppm1 8.388 ppm2 4.098
ASSI { 8433}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HA ")
5.000 5.000 0.000 peak 8433 weight 0.10000E+01 volume 0.10880E+01 ppm1 8.390 ppm2 3.726
ASSI { 8434}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HB1 ")
3.300 3.300 0.000 peak 8434 weight 0.10000E+01 volume 0.20490E+01 ppm1 8.390 ppm2 1.313
OR { 8434}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HB2 ")
OR { 8434}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "59 " and name "HB3 ")
ASSI { 8437}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
5.000 5.000 0.000 peak 8437 weight 0.10000E+01 volume 0.11740E+01 ppm1 8.394 ppm2 3.628
ASSI { 8438}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HB1 ")
2.700 2.700 0.000 peak 8438 weight 0.10000E+01 volume 0.32850E+01 ppm1 8.390 ppm2 1.786
ASSI { 8439}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "60 " and name "HB2 ")
2.700 2.700 0.000 peak 8439 weight 0.10000E+01 volume 0.30960E+01 ppm1 8.390 ppm2 1.600
ASSI { 8440}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "61 " and name "HN ")
5.000 5.000 0.000 peak 8440 weight 0.10000E+01 volume 0.82200E+00 ppm1 8.390 ppm2 7.636
ASSI { 8442}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "58 " and name "HA ")
6.000 6.000 0.000 peak 8442 weight 0.10000E+01 volume 0.16500E+00 ppm1 7.634 ppm2 3.413
ASSI { 8444}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
6.000 6.000 0.000 peak 8444 weight 0.10000E+01 volume 0.14100E+00 ppm1 7.632 ppm2 3.633
ASSI { 8445}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "60 " and name "HB1 ")
5.000 5.000 0.000 peak 8445 weight 0.10000E+01 volume 0.13480E+01 ppm1 7.637 ppm2 1.794
ASSI { 8447}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HA ")
5.000 5.000 0.000 peak 8447 weight 0.10000E+01 volume 0.75100E+00 ppm1 7.635 ppm2 3.875
ASSI { 8448}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HB2 ")
3.300 3.300 0.000 peak 8448 weight 0.10000E+01 volume 0.22180E+01 ppm1 7.634 ppm2 1.935
OR { 8448}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HB1 ")
ASSI { 8449}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HG1 ")
5.000 5.000 0.000 peak 8449 weight 0.10000E+01 volume 0.69100E+00 ppm1 7.635 ppm2 2.453
ASSI { 8450}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "61 " and name "HG2 ")
5.000 5.000 0.000 peak 8450 weight 0.10000E+01 volume 0.82700E+00 ppm1 7.638 ppm2 2.094
ASSI { 8451}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "62 " and name "HN ")
5.000 5.000 0.000 peak 8451 weight 0.10000E+01 volume 0.56900E+00 ppm1 7.635 ppm2 7.499
ASSI { 8457}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "61 " and name "HA ")
6.000 6.000 0.000 peak 8457 weight 0.10000E+01 volume 0.29300E+00 ppm1 7.502 ppm2 3.872
ASSI { 8460}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "62 " and name "HA ")
5.000 5.000 0.000 peak 8460 weight 0.10000E+01 volume 0.62000E+00 ppm1 7.502 ppm2 3.763
ASSI { 8461}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "62 " and name "HB1 ")
3.300 3.300 0.000 peak 8461 weight 0.10000E+01 volume 0.15580E+01 ppm1 7.503 ppm2 1.852
ASSI { 8462}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "62 " and name "HG ")
3.300 3.300 0.000 peak 8462 weight 0.10000E+01 volume 0.17430E+01 ppm1 7.504 ppm2 1.728
ASSI { 8463}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "63 " and name "HN ")
5.000 5.000 0.000 peak 8463 weight 0.10000E+01 volume 0.64300E+00 ppm1 7.505 ppm2 8.596
ASSI { 8465}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "60 " and name "HA ")
6.000 6.000 0.000 peak 8465 weight 0.10000E+01 volume 0.25000E+00 ppm1 8.590 ppm2 3.643
ASSI { 8466}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "62 " and name "HA ")
6.000 6.000 0.000 peak 8466 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.583 ppm2 3.763
ASSI { 8469}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HA ")
5.000 5.000 0.000 peak 8469 weight 0.10000E+01 volume 0.76100E+00 ppm1 8.587 ppm2 3.897
ASSI { 8470}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HD12")
5.000 5.000 0.000 peak 8470 weight 0.10000E+01 volume 0.79400E+00 ppm1 8.591 ppm2 0.648
OR { 8470}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HD13")
OR { 8470}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HD11")
ASSI { 8471}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "63 " and name "HG ")
5.000 5.000 0.000 peak 8471 weight 0.10000E+01 volume 0.13080E+01 ppm1 8.591 ppm2 1.599
ASSI { 8472}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "64 " and name "HN ")
5.000 5.000 0.000 peak 8472 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.591 ppm2 8.945
ASSI { 8479}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HB1 ")
5.000 5.000 0.000 peak 8479 weight 0.10000E+01 volume 0.59400E+00 ppm1 8.947 ppm2 1.225
ASSI { 8480}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HD11")
6.000 6.000 0.000 peak 8480 weight 0.10000E+01 volume 0.20100E+00 ppm1 8.958 ppm2 0.646
OR { 8480}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HD12")
OR { 8480}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HD13")
ASSI { 8481}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HD23")
5.000 5.000 0.000 peak 8481 weight 0.10000E+01 volume 0.62600E+00 ppm1 8.958 ppm2 0.835
OR { 8481}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HD21")
OR { 8481}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "63 " and name "HD22")
ASSI { 8483}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HA ")
5.000 5.000 0.000 peak 8483 weight 0.10000E+01 volume 0.77200E+00 ppm1 8.952 ppm2 4.105
ASSI { 8484}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
3.300 3.300 0.000 peak 8484 weight 0.10000E+01 volume 0.18030E+01 ppm1 8.952 ppm2 1.983
ASSI { 8485}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
3.300 3.300 0.000 peak 8485 weight 0.10000E+01 volume 0.17690E+01 ppm1 8.955 ppm2 1.905
ASSI { 8486}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HG2 ")
5.000 5.000 0.000 peak 8486 weight 0.10000E+01 volume 0.11600E+01 ppm1 8.954 ppm2 1.629
OR { 8486}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "64 " and name "HG1 ")
ASSI { 8487}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "65 " and name "HN ")
5.000 5.000 0.000 peak 8487 weight 0.10000E+01 volume 0.85700E+00 ppm1 8.954 ppm2 6.997
ASSI { 8492}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "64 " and name "HB1 ")
5.000 5.000 0.000 peak 8492 weight 0.10000E+01 volume 0.12270E+01 ppm1 7.002 ppm2 1.931
OR { 8492}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "64 " and name "HB2 ")
ASSI { 8494}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HA ")
5.000 5.000 0.000 peak 8494 weight 0.10000E+01 volume 0.64400E+00 ppm1 7.002 ppm2 4.507
ASSI { 8495}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HB1 ")
5.000 5.000 0.000 peak 8495 weight 0.10000E+01 volume 0.95400E+00 ppm1 6.997 ppm2 2.167
ASSI { 8496}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HB2 ")
3.300 3.300 0.000 peak 8496 weight 0.10000E+01 volume 0.20330E+01 ppm1 6.996 ppm2 2.023
ASSI { 8497}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG1 ")
6.000 6.000 0.000 peak 8497 weight 0.10000E+01 volume 0.21800E+00 ppm1 7.005 ppm2 2.562
ASSI { 8498}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "65 " and name "HG2 ")
5.000 5.000 0.000 peak 8498 weight 0.10000E+01 volume 0.36300E+00 ppm1 7.003 ppm2 2.451
ASSI { 8499}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "66 " and name "HN ")
5.000 5.000 0.000 peak 8499 weight 0.10000E+01 volume 0.96200E+00 ppm1 7.003 ppm2 7.601
ASSI { 8506}
(segid " " and resid "65 " and name "HE22")
(segid " " and resid "65 " and name "HG1 ")
5.000 5.000 0.000 peak 8506 weight 0.10000E+01 volume 0.42000E+00 ppm1 6.795 ppm2 2.560
ASSI { 8507}
(segid " " and resid "65 " and name "HE22")
(segid " " and resid "65 " and name "HG2 ")
5.000 5.000 0.000 peak 8507 weight 0.10000E+01 volume 0.30100E+00 ppm1 6.784 ppm2 2.434
ASSI { 8515}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "67 " and name "HA ")
5.000 5.000 0.000 peak 8515 weight 0.10000E+01 volume 0.97800E+00 ppm1 8.029 ppm2 4.024
ASSI { 8516}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "67 " and name "HB1 ")
3.300 3.300 0.000 peak 8516 weight 0.10000E+01 volume 0.26890E+01 ppm1 8.024 ppm2 1.122
OR { 8516}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "67 " and name "HB3 ")
OR { 8516}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "67 " and name "HB2 ")
ASSI { 8517}
(segid " " and resid "67 " and name "HN ")
(segid " " and resid "68 " and name "HN ")
6.000 6.000 0.000 peak 8517 weight 0.10000E+01 volume 0.17500E+00 ppm1 8.022 ppm2 10.194
ASSI { 8520}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HB3 ")
5.000 5.000 0.000 peak 8520 weight 0.10000E+01 volume 0.61800E+00 ppm1 10.197 ppm2 1.124
OR { 8520}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HB1 ")
OR { 8520}
(segid " " and resid "68 " and name "HN ")
(segid " " and resid "67 " and name "HB2 ")
ASSI { 8529}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "69 " and name "HA ")
6.000 6.000 0.000 peak 8529 weight 0.10000E+01 volume 0.27800E+00 ppm1 7.981 ppm2 4.406
ASSI { 8530}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HA ")
5.000 5.000 0.000 peak 8530 weight 0.10000E+01 volume 0.83200E+00 ppm1 7.982 ppm2 5.147
ASSI { 8531}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HB1 ")
5.000 5.000 0.000 peak 8531 weight 0.10000E+01 volume 0.81500E+00 ppm1 7.983 ppm2 3.008
ASSI { 8532}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HB2 ")
5.000 5.000 0.000 peak 8532 weight 0.10000E+01 volume 0.13330E+01 ppm1 7.979 ppm2 2.796
ASSI { 8539}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HA ")
3.300 3.300 0.000 peak 8539 weight 0.10000E+01 volume 0.21870E+01 ppm1 6.879 ppm2 5.146
ASSI { 8540}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HB1 ")
6.000 6.000 0.000 peak 8540 weight 0.10000E+01 volume 0.17300E+00 ppm1 6.882 ppm2 2.993
ASSI { 8541}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HB2 ")
6.000 6.000 0.000 peak 8541 weight 0.10000E+01 volume 0.16600E+00 ppm1 6.866 ppm2 2.796
ASSI { 8542}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "70 " and name "HN ")
5.000 5.000 0.000 peak 8542 weight 0.10000E+01 volume 0.67800E+00 ppm1 6.882 ppm2 7.982
ASSI { 8543}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HA ")
5.000 5.000 0.000 peak 8543 weight 0.10000E+01 volume 0.14300E+01 ppm1 6.876 ppm2 4.322
ASSI { 8544}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HB ")
5.000 5.000 0.000 peak 8544 weight 0.10000E+01 volume 0.81500E+00 ppm1 6.882 ppm2 2.050
ASSI { 8546}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HG13")
2.700 2.700 0.000 peak 8546 weight 0.10000E+01 volume 0.30220E+01 ppm1 6.879 ppm2 0.845
OR { 8546}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HG12")
OR { 8546}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HG11")
ASSI { 8545}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HG21")
3.300 3.300 0.000 peak 8545 weight 0.10000E+01 volume 0.28390E+01 ppm1 6.879 ppm2 0.928
OR { 8545}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HG23")
OR { 8545}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "71 " and name "HG22")
ASSI { 8547}
(segid " " and resid "71 " and name "HN ")
(segid " " and resid "72 " and name "HN ")
6.000 6.000 0.000 peak 8547 weight 0.10000E+01 volume 0.12400E+00 ppm1 6.882 ppm2 8.206
ASSI { 8549}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HA ")
2.700 2.700 0.000 peak 8549 weight 0.10000E+01 volume 0.39630E+01 ppm1 8.200 ppm2 4.326
ASSI { 8550}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HB ")
3.300 3.300 0.000 peak 8550 weight 0.10000E+01 volume 0.17370E+01 ppm1 8.203 ppm2 2.046
ASSI { 8552}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HG12")
5.000 5.000 0.000 peak 8552 weight 0.10000E+01 volume 0.84600E+00 ppm1 8.198 ppm2 0.837
OR { 8552}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HG11")
OR { 8552}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HG13")
ASSI { 8551}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HG23")
5.000 5.000 0.000 peak 8551 weight 0.10000E+01 volume 0.87500E+00 ppm1 8.199 ppm2 0.929
OR { 8551}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HG22")
OR { 8551}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "71 " and name "HG21")
ASSI { 8553}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "72 " and name "HA ")
5.000 5.000 0.000 peak 8553 weight 0.10000E+01 volume 0.65400E+00 ppm1 8.200 ppm2 4.996
ASSI { 8554}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "72 " and name "HB2 ")
5.000 5.000 0.000 peak 8554 weight 0.10000E+01 volume 0.84000E+00 ppm1 8.197 ppm2 1.835
ASSI { 8555}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "72 " and name "HG1 ")
5.000 5.000 0.000 peak 8555 weight 0.10000E+01 volume 0.73900E+00 ppm1 8.193 ppm2 2.249
OR { 8555}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "72 " and name "HG2 ")
ASSI { 8561}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "72 " and name "HA ")
3.300 3.300 0.000 peak 8561 weight 0.10000E+01 volume 0.29560E+01 ppm1 7.992 ppm2 4.996
ASSI { 8562}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HA ")
3.300 3.300 0.000 peak 8562 weight 0.10000E+01 volume 0.24050E+01 ppm1 7.991 ppm2 4.921
ASSI { 8563}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HB1 ")
5.000 5.000 0.000 peak 8563 weight 0.10000E+01 volume 0.32400E+00 ppm1 7.988 ppm2 3.527
ASSI { 8564}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "73 " and name "HB2 ")
5.000 5.000 0.000 peak 8564 weight 0.10000E+01 volume 0.71700E+00 ppm1 7.982 ppm2 2.664
ASSI { 8567}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "74 " and name "HA ")
5.000 5.000 0.000 peak 8567 weight 0.10000E+01 volume 0.44700E+00 ppm1 8.360 ppm2 4.242
ASSI { 8568}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "74 " and name "HB3 ")
5.000 5.000 0.000 peak 8568 weight 0.10000E+01 volume 0.52300E+00 ppm1 8.363 ppm2 1.548
OR { 8568}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "74 " and name "HB1 ")
OR { 8568}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "74 " and name "HB2 ")
ASSI { 8569}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "75 " and name "HA ")
3.300 3.300 0.000 peak 8569 weight 0.10000E+01 volume 0.15970E+01 ppm1 8.358 ppm2 4.674
ASSI { 8570}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "75 " and name "HB1 ")
5.000 5.000 0.000 peak 8570 weight 0.10000E+01 volume 0.83300E+00 ppm1 8.363 ppm2 4.110
ASSI { 8571}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "75 " and name "HB2 ")
5.000 5.000 0.000 peak 8571 weight 0.10000E+01 volume 0.64100E+00 ppm1 8.364 ppm2 4.011
ASSI { 8572}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "77 " and name "HN ")
5.000 5.000 0.000 peak 8572 weight 0.10000E+01 volume 0.31500E+00 ppm1 8.353 ppm2 8.164
ASSI { 8574}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "75 " and name "HA ")
5.000 5.000 0.000 peak 8574 weight 0.10000E+01 volume 0.32600E+00 ppm1 8.374 ppm2 4.656
ASSI { 8575}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HA1 ")
3.300 3.300 0.000 peak 8575 weight 0.10000E+01 volume 0.17790E+01 ppm1 8.370 ppm2 4.237
ASSI { 8576}
(segid " " and resid "76 " and name "HN ")
(segid " " and resid "76 " and name "HA2 ")
3.300 3.300 0.000 peak 8576 weight 0.10000E+01 volume 0.17680E+01 ppm1 8.370 ppm2 3.783
ASSI { 8581}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "76 " and name "HN ")
3.300 3.300 0.000 peak 8581 weight 0.10000E+01 volume 0.21920E+01 ppm1 8.150 ppm2 8.371
ASSI { 8582}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HG21")
5.000 5.000 0.000 peak 8582 weight 0.10000E+01 volume 0.54000E+00 ppm1 8.149 ppm2 1.245
OR { 8582}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HG22")
OR { 8582}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "77 " and name "HG23")
ASSI { 8583}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HA ")
3.300 3.300 0.000 peak 8583 weight 0.10000E+01 volume -0.19170E+01 ppm1 10.179 ppm2 3.776
ASSI { 8584}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HG22")
5.000 5.000 0.000 peak 8584 weight 0.10000E+01 volume -0.48900E+00 ppm1 10.183 ppm2 1.229
OR { 8584}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HG21")
OR { 8584}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "77 " and name "HG23")
ASSI { 8585}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "78 " and name "HA ")
6.000 6.000 0.000 peak 8585 weight 0.10000E+01 volume -0.17300E+00 ppm1 10.188 ppm2 5.867
ASSI { 8586}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "78 " and name "HB1 ")
6.000 6.000 0.000 peak 8586 weight 0.10000E+01 volume -0.19600E+00 ppm1 10.170 ppm2 4.458
ASSI { 8587}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "78 " and name "HB2 ")
5.000 5.000 0.000 peak 8587 weight 0.10000E+01 volume -0.46700E+00 ppm1 10.173 ppm2 4.287
ASSI { 8588}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "78 " and name "HG ")
6.000 6.000 0.000 peak 8588 weight 0.10000E+01 volume -0.28800E+00 ppm1 10.170 ppm2 6.300
ASSI { 8596}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "79 " and name "HB1 ")
5.000 5.000 0.000 peak 8596 weight 0.10000E+01 volume 0.34600E+00 ppm1 8.462 ppm2 2.452
ASSI { 8597}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "80 " and name "HA ")
5.000 5.000 0.000 peak 8597 weight 0.10000E+01 volume 0.76300E+00 ppm1 8.465 ppm2 3.685
ASSI { 8598}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "80 " and name "HB ")
3.300 3.300 0.000 peak 8598 weight 0.10000E+01 volume 0.22550E+01 ppm1 8.467 ppm2 1.916
ASSI { 8599}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "81 " and name "HN ")
5.000 5.000 0.000 peak 8599 weight 0.10000E+01 volume 0.51500E+00 ppm1 8.463 ppm2 7.712
ASSI { 8603}
(segid " " and resid "81 " and name "HN ")
(segid " " and resid "78 " and name "HG ")
5.000 5.000 0.000 peak 8603 weight 0.10000E+01 volume 0.42500E+00 ppm1 7.718 ppm2 6.309
ASSI { 8607}
(segid " " and resid "81 " and name "HN ")
(segid " " and resid "80 " and name "HB ")
5.000 5.000 0.000 peak 8607 weight 0.10000E+01 volume 0.61200E+00 ppm1 7.712 ppm2 1.911
ASSI { 8609}
(segid " " and resid "81 " and name "HN ")
(segid " " and resid "81 " and name "HA ")
5.000 5.000 0.000 peak 8609 weight 0.10000E+01 volume 0.10680E+01 ppm1 7.718 ppm2 3.887
ASSI { 8610}
(segid " " and resid "81 " and name "HN ")
(segid " " and resid "81 " and name "HB1 ")
5.000 5.000 0.000 peak 8610 weight 0.10000E+01 volume 0.12840E+01 ppm1 7.717 ppm2 3.770
ASSI { 8611}
(segid " " and resid "81 " and name "HN ")
(segid " " and resid "81 " and name "HB2 ")
5.000 5.000 0.000 peak 8611 weight 0.10000E+01 volume 0.54600E+00 ppm1 7.718 ppm2 3.277
ASSI { 8612}
(segid " " and resid "81 " and name "HN ")
(segid " " and resid "81 " and name "HD2 ")
6.000 6.000 0.000 peak 8612 weight 0.10000E+01 volume 0.14600E+00 ppm1 7.715 ppm2 6.496
ASSI { 8613}
(segid " " and resid "81 " and name "HN ")
(segid " " and resid "82 " and name "HN ")
5.000 5.000 0.000 peak 8613 weight 0.10000E+01 volume 0.12520E+01 ppm1 7.716 ppm2 7.364
ASSI { 8614}
(segid " " and resid "81 " and name "HE2 ")
(segid " " and resid "81 " and name "HD2 ")
6.000 6.000 0.000 peak 8614 weight 0.10000E+01 volume -0.11700E+00 ppm1 11.098 ppm2 6.512
ASSI { 8615}
(segid " " and resid "81 " and name "HE2 ")
(segid " " and resid "81 " and name "HE1 ")
6.000 6.000 0.000 peak 8615 weight 0.10000E+01 volume -0.24400E+00 ppm1 11.102 ppm2 7.457
ASSI { 8620}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "81 " and name "HB1 ")
5.000 5.000 0.000 peak 8620 weight 0.10000E+01 volume 0.79400E+00 ppm1 7.362 ppm2 3.781
ASSI { 8621}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "81 " and name "HB2 ")
5.000 5.000 0.000 peak 8621 weight 0.10000E+01 volume 0.43400E+00 ppm1 7.365 ppm2 3.268
ASSI { 8623}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
5.000 5.000 0.000 peak 8623 weight 0.10000E+01 volume 0.55000E+00 ppm1 7.359 ppm2 4.448
ASSI { 8624}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HB1 ")
3.300 3.300 0.000 peak 8624 weight 0.10000E+01 volume 0.15530E+01 ppm1 7.364 ppm2 2.304
ASSI { 8625}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "82 " and name "HB2 ")
5.000 5.000 0.000 peak 8625 weight 0.10000E+01 volume 0.10160E+01 ppm1 7.364 ppm2 1.985
ASSI { 8626}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "83 " and name "HN ")
5.000 5.000 0.000 peak 8626 weight 0.10000E+01 volume 0.89300E+00 ppm1 7.362 ppm2 8.755
ASSI { 8629}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "82 " and name "HB1 ")
5.000 5.000 0.000 peak 8629 weight 0.10000E+01 volume 0.75900E+00 ppm1 8.759 ppm2 2.303
ASSI { 8630}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "82 " and name "HB2 ")
5.000 5.000 0.000 peak 8630 weight 0.10000E+01 volume 0.69700E+00 ppm1 8.753 ppm2 1.977
ASSI { 8632}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "83 " and name "HA ")
5.000 5.000 0.000 peak 8632 weight 0.10000E+01 volume 0.90900E+00 ppm1 8.751 ppm2 3.790
ASSI { 8633}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "83 " and name "HB2 ")
3.300 3.300 0.000 peak 8633 weight 0.10000E+01 volume 0.23870E+01 ppm1 8.754 ppm2 1.313
OR { 8633}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "83 " and name "HB1 ")
OR { 8633}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "83 " and name "HB3 ")
ASSI { 8634}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "84 " and name "HN ")
5.000 5.000 0.000 peak 8634 weight 0.10000E+01 volume 0.11600E+01 ppm1 8.752 ppm2 7.847
ASSI { 8637}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HA ")
5.000 5.000 0.000 peak 8637 weight 0.10000E+01 volume 0.46800E+00 ppm1 7.844 ppm2 3.795
ASSI { 8638}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HB3 ")
3.300 3.300 0.000 peak 8638 weight 0.10000E+01 volume 0.17490E+01 ppm1 7.844 ppm2 1.315
OR { 8638}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HB1 ")
OR { 8638}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "83 " and name "HB2 ")
ASSI { 8640}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HA ")
5.000 5.000 0.000 peak 8640 weight 0.10000E+01 volume 0.10240E+01 ppm1 7.840 ppm2 3.996
ASSI { 8641}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HB1 ")
2.700 2.700 0.000 peak 8641 weight 0.10000E+01 volume 0.40690E+01 ppm1 7.844 ppm2 1.442
OR { 8641}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HB2 ")
OR { 8641}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "84 " and name "HB3 ")
ASSI { 8642}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "85 " and name "HN ")
5.000 5.000 0.000 peak 8642 weight 0.10000E+01 volume 0.88900E+00 ppm1 7.843 ppm2 8.631
ASSI { 8646}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "82 " and name "HA ")
5.000 5.000 0.000 peak 8646 weight 0.10000E+01 volume 0.54700E+00 ppm1 8.640 ppm2 4.445
ASSI { 8647}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HA ")
6.000 6.000 0.000 peak 8647 weight 0.10000E+01 volume 0.26200E+00 ppm1 8.637 ppm2 3.987
ASSI { 8648}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HB1 ")
5.000 5.000 0.000 peak 8648 weight 0.10000E+01 volume 0.12570E+01 ppm1 8.640 ppm2 1.440
OR { 8648}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HB2 ")
OR { 8648}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "84 " and name "HB3 ")
ASSI { 8650}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
5.000 5.000 0.000 peak 8650 weight 0.10000E+01 volume 0.67900E+00 ppm1 8.638 ppm2 3.749
ASSI { 8651}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HB2 ")
3.300 3.300 0.000 peak 8651 weight 0.10000E+01 volume 0.23150E+01 ppm1 8.644 ppm2 2.054
OR { 8651}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "85 " and name "HB1 ")
ASSI { 8652}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "86 " and name "HN ")
5.000 5.000 0.000 peak 8652 weight 0.10000E+01 volume 0.61400E+00 ppm1 8.638 ppm2 7.657
ASSI { 8654}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HA ")
5.000 5.000 0.000 peak 8654 weight 0.10000E+01 volume -0.37800E+00 ppm1 7.661 ppm2 3.765
ASSI { 8655}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HB1 ")
5.000 5.000 0.000 peak 8655 weight 0.10000E+01 volume -0.58200E+00 ppm1 7.648 ppm2 2.057
OR { 8655}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "85 " and name "HB2 ")
ASSI { 8657}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HA ")
3.300 3.300 0.000 peak 8657 weight 0.10000E+01 volume -0.16560E+01 ppm1 7.661 ppm2 4.352
ASSI { 8658}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HG1 ")
3.300 3.300 0.000 peak 8658 weight 0.10000E+01 volume -0.24200E+01 ppm1 7.648 ppm2 4.458
ASSI { 8659}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HG21")
5.000 5.000 0.000 peak 8659 weight 0.10000E+01 volume -0.12210E+01 ppm1 7.661 ppm2 1.336
OR { 8659}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HG23")
OR { 8659}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "86 " and name "HG22")
ASSI { 8663}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HA ")
5.000 5.000 0.000 peak 8663 weight 0.10000E+01 volume 0.37700E+00 ppm1 7.086 ppm2 4.331
ASSI { 8664}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HG1 ")
5.000 5.000 0.000 peak 8664 weight 0.10000E+01 volume 0.45000E+00 ppm1 7.095 ppm2 4.451
ASSI { 8665}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HG22")
6.000 6.000 0.000 peak 8665 weight 0.10000E+01 volume 0.16900E+00 ppm1 7.088 ppm2 1.334
OR { 8665}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HG21")
OR { 8665}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HG23")
ASSI { 8666}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "86 " and name "HN ")
3.300 3.300 0.000 peak 8666 weight 0.10000E+01 volume 0.20200E+01 ppm1 7.092 ppm2 7.656
ASSI { 8667}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "87 " and name "HA1 ")
3.300 3.300 0.000 peak 8667 weight 0.10000E+01 volume 0.17050E+01 ppm1 7.092 ppm2 2.756
ASSI { 8668}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "87 " and name "HA2 ")
5.000 5.000 0.000 peak 8668 weight 0.10000E+01 volume 0.13240E+01 ppm1 7.091 ppm2 2.584
ASSI { 8669}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "88 " and name "HN ")
3.300 3.300 0.000 peak 8669 weight 0.10000E+01 volume 0.21240E+01 ppm1 7.092 ppm2 7.581
ASSI { 8673}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "87 " and name "HA1 ")
5.000 5.000 0.000 peak 8673 weight 0.10000E+01 volume 0.63200E+00 ppm1 7.583 ppm2 2.760
ASSI { 8675}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HA ")
5.000 5.000 0.000 peak 8675 weight 0.10000E+01 volume 0.42400E+00 ppm1 7.585 ppm2 4.666
ASSI { 8676}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HB1 ")
5.000 5.000 0.000 peak 8676 weight 0.10000E+01 volume 0.92900E+00 ppm1 7.581 ppm2 3.445
ASSI { 8677}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HB2 ")
3.300 3.300 0.000 peak 8677 weight 0.10000E+01 volume 0.18840E+01 ppm1 7.580 ppm2 2.521
ASSI { 8678}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HD2 ")
5.000 5.000 0.000 peak 8678 weight 0.10000E+01 volume 0.74100E+00 ppm1 7.579 ppm2 7.446
OR { 8678}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "88 " and name "HD1 ")
ASSI { 8679}
(segid " " and resid "88 " and name "HN ")
(segid " " and resid "89 " and name "HN ")
2.700 2.700 0.000 peak 8679 weight 0.10000E+01 volume 0.33200E+01 ppm1 7.577 ppm2 7.685
ASSI { 8682}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HA ")
3.300 3.300 0.000 peak 8682 weight 0.10000E+01 volume 0.18110E+01 ppm1 7.692 ppm2 4.649
ASSI { 8683}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HD1 ")
6.000 6.000 0.000 peak 8683 weight 0.10000E+01 volume 0.18900E+00 ppm1 7.690 ppm2 7.434
OR { 8683}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "88 " and name "HD2 ")
ASSI { 8684}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HA ")
5.000 5.000 0.000 peak 8684 weight 0.10000E+01 volume 0.37300E+00 ppm1 7.687 ppm2 3.711
ASSI { 8685}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HB1 ")
5.000 5.000 0.000 peak 8685 weight 0.10000E+01 volume 0.98200E+00 ppm1 7.689 ppm2 1.827
ASSI { 8686}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HB2 ")
5.000 5.000 0.000 peak 8686 weight 0.10000E+01 volume 0.13020E+01 ppm1 7.690 ppm2 1.236
ASSI { 8687}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HD12")
6.000 6.000 0.000 peak 8687 weight 0.10000E+01 volume 0.29000E+00 ppm1 7.694 ppm2 0.818
OR { 8687}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HD11")
OR { 8687}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HD13")
ASSI { 8688}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HD23")
6.000 6.000 0.000 peak 8688 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.690 ppm2 0.609
OR { 8688}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HD21")
OR { 8688}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HD22")
ASSI { 8689}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "89 " and name "HG ")
5.000 5.000 0.000 peak 8689 weight 0.10000E+01 volume 0.10810E+01 ppm1 7.692 ppm2 1.302
ASSI { 8692}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HB1 ")
6.000 6.000 0.000 peak 8692 weight 0.10000E+01 volume 0.28300E+00 ppm1 8.706 ppm2 1.822
ASSI { 8693}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "89 " and name "HB2 ")
5.000 5.000 0.000 peak 8693 weight 0.10000E+01 volume 0.35700E+00 ppm1 8.702 ppm2 1.263
ASSI { 8694}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
6.000 6.000 0.000 peak 8694 weight 0.10000E+01 volume 0.26500E+00 ppm1 8.697 ppm2 4.252
ASSI { 8695}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HB1 ")
5.000 5.000 0.000 peak 8695 weight 0.10000E+01 volume 0.50500E+00 ppm1 8.700 ppm2 2.759
ASSI { 8696}
(segid " " and resid "90 " and name "HN ")
(segid " " and resid "90 " and name "HB2 ")
5.000 5.000 0.000 peak 8696 weight 0.10000E+01 volume 0.36500E+00 ppm1 8.701 ppm2 2.574
ASSI { 8699}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HA ")
3.300 3.300 0.000 peak 8699 weight 0.10000E+01 volume 0.17220E+01 ppm1 7.936 ppm2 3.757
ASSI { 8700}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HB ")
3.300 3.300 0.000 peak 8700 weight 0.10000E+01 volume 0.27410E+01 ppm1 7.928 ppm2 4.189
ASSI { 8701}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "91 " and name "HG1 ")
5.000 5.000 0.000 peak 8701 weight 0.10000E+01 volume 0.37500E+00 ppm1 7.928 ppm2 5.175
ASSI { 8702}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "92 " and name "HN ")
2.700 2.700 0.000 peak 8702 weight 0.10000E+01 volume 0.39680E+01 ppm1 7.933 ppm2 8.056
ASSI { 8706}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "91 " and name "HB ")
5.000 5.000 0.000 peak 8706 weight 0.10000E+01 volume 0.77300E+00 ppm1 8.057 ppm2 4.196
ASSI { 8708}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HA ")
3.300 3.300 0.000 peak 8708 weight 0.10000E+01 volume 0.18280E+01 ppm1 8.051 ppm2 3.870
ASSI { 8709}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HB1 ")
3.300 3.300 0.000 peak 8709 weight 0.10000E+01 volume 0.15440E+01 ppm1 8.063 ppm2 2.066
ASSI { 8710}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "92 " and name "HB2 ")
3.300 3.300 0.000 peak 8710 weight 0.10000E+01 volume 0.21290E+01 ppm1 8.058 ppm2 1.365
ASSI { 8711}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "93 " and name "HN ")
5.000 5.000 0.000 peak 8711 weight 0.10000E+01 volume 0.71200E+00 ppm1 8.064 ppm2 8.577
ASSI { 8714}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "90 " and name "HA ")
6.000 6.000 0.000 peak 8714 weight 0.10000E+01 volume 0.24900E+00 ppm1 8.573 ppm2 4.247
ASSI { 8715}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "92 " and name "HB1 ")
5.000 5.000 0.000 peak 8715 weight 0.10000E+01 volume 0.12840E+01 ppm1 8.571 ppm2 2.075
ASSI { 8716}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "92 " and name "HB2 ")
5.000 5.000 0.000 peak 8716 weight 0.10000E+01 volume 0.99200E+00 ppm1 8.574 ppm2 1.338
ASSI { 8718}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "93 " and name "HA ")
5.000 5.000 0.000 peak 8718 weight 0.10000E+01 volume 0.10450E+01 ppm1 8.578 ppm2 3.709
ASSI { 8719}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "93 " and name "HB1 ")
5.000 5.000 0.000 peak 8719 weight 0.10000E+01 volume 0.86100E+00 ppm1 8.580 ppm2 1.763
ASSI { 8720}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "93 " and name "HB2 ")
3.300 3.300 0.000 peak 8720 weight 0.10000E+01 volume 0.15260E+01 ppm1 8.570 ppm2 1.655
ASSI { 8721}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "93 " and name "HG1 ")
5.000 5.000 0.000 peak 8721 weight 0.10000E+01 volume 0.13720E+01 ppm1 8.577 ppm2 1.090
ASSI { 8722}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "93 " and name "HG2 ")
5.000 5.000 0.000 peak 8722 weight 0.10000E+01 volume 0.72500E+00 ppm1 8.572 ppm2 0.612
ASSI { 8723}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "94 " and name "HN ")
5.000 5.000 0.000 peak 8723 weight 0.10000E+01 volume 0.92900E+00 ppm1 8.577 ppm2 7.371
ASSI { 8730}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HB1 ")
5.000 5.000 0.000 peak 8730 weight 0.10000E+01 volume 0.10080E+01 ppm1 7.381 ppm2 1.757
ASSI { 8731}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HB2 ")
5.000 5.000 0.000 peak 8731 weight 0.10000E+01 volume 0.11220E+01 ppm1 7.383 ppm2 1.663
ASSI { 8732}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HG1 ")
5.000 5.000 0.000 peak 8732 weight 0.10000E+01 volume 0.52700E+00 ppm1 7.387 ppm2 1.087
ASSI { 8733}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "93 " and name "HG2 ")
6.000 6.000 0.000 peak 8733 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.388 ppm2 0.613
ASSI { 8736}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HA ")
5.000 5.000 0.000 peak 8736 weight 0.10000E+01 volume 0.89800E+00 ppm1 7.386 ppm2 4.034
ASSI { 8737}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HG12")
3.300 3.300 0.000 peak 8737 weight 0.10000E+01 volume 0.20570E+01 ppm1 7.381 ppm2 1.183
OR { 8737}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HG11")
OR { 8737}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HG13")
ASSI { 8738}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HG22")
5.000 5.000 0.000 peak 8738 weight 0.10000E+01 volume 0.96000E+00 ppm1 7.379 ppm2 0.963
OR { 8738}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HG23")
OR { 8738}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "94 " and name "HG21")
ASSI { 8739}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "95 " and name "HN ")
5.000 5.000 0.000 peak 8739 weight 0.10000E+01 volume 0.99600E+00 ppm1 7.386 ppm2 8.081
ASSI { 8741}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "92 " and name "HA ")
5.000 5.000 0.000 peak 8741 weight 0.10000E+01 volume 0.10240E+01 ppm1 8.081 ppm2 3.890
ASSI { 8742}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "94 " and name "HA ")
5.000 5.000 0.000 peak 8742 weight 0.10000E+01 volume 0.69500E+00 ppm1 8.081 ppm2 4.057
ASSI { 8744}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HA ")
5.000 5.000 0.000 peak 8744 weight 0.10000E+01 volume 0.10920E+01 ppm1 8.081 ppm2 3.918
ASSI { 8745}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HB2 ")
3.300 3.300 0.000 peak 8745 weight 0.10000E+01 volume 0.21410E+01 ppm1 8.080 ppm2 1.154
ASSI { 8746}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "95 " and name "HG ")
3.300 3.300 0.000 peak 8746 weight 0.10000E+01 volume 0.17490E+01 ppm1 8.079 ppm2 1.739
ASSI { 8747}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "96 " and name "HN ")
5.000 5.000 0.000 peak 8747 weight 0.10000E+01 volume 0.11730E+01 ppm1 8.083 ppm2 8.461
ASSI { 8753}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HD11")
5.000 5.000 0.000 peak 8753 weight 0.10000E+01 volume 0.30700E+00 ppm1 8.467 ppm2 0.762
OR { 8753}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HD13")
OR { 8753}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HD12")
ASSI { 8754}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "95 " and name "HG ")
6.000 6.000 0.000 peak 8754 weight 0.10000E+01 volume 0.22300E+00 ppm1 8.462 ppm2 1.731
ASSI { 8757}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HA ")
5.000 5.000 0.000 peak 8757 weight 0.10000E+01 volume 0.10480E+01 ppm1 8.463 ppm2 3.753
ASSI { 8758}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "96 " and name "HB ")
3.300 3.300 0.000 peak 8758 weight 0.10000E+01 volume 0.23980E+01 ppm1 8.464 ppm2 2.330
ASSI { 8759}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "97 " and name "HN ")
5.000 5.000 0.000 peak 8759 weight 0.10000E+01 volume 0.66300E+00 ppm1 8.465 ppm2 8.805
ASSI { 8761}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "94 " and name "HA ")
5.000 5.000 0.000 peak 8761 weight 0.10000E+01 volume 0.12010E+01 ppm1 8.807 ppm2 4.042
ASSI { 8764}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "97 " and name "HA ")
5.000 5.000 0.000 peak 8764 weight 0.10000E+01 volume 0.13540E+01 ppm1 8.806 ppm2 4.111
ASSI { 8765}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "97 " and name "HB1 ")
3.300 3.300 0.000 peak 8765 weight 0.10000E+01 volume 0.22910E+01 ppm1 8.803 ppm2 2.263
ASSI { 8766}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "97 " and name "HB2 ")
5.000 5.000 0.000 peak 8766 weight 0.10000E+01 volume 0.11250E+01 ppm1 8.807 ppm2 2.019
ASSI { 8767}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "97 " and name "HG1 ")
3.300 3.300 0.000 peak 8767 weight 0.10000E+01 volume 0.16780E+01 ppm1 8.804 ppm2 2.393
ASSI { 8768}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "98 " and name "HN ")
5.000 5.000 0.000 peak 8768 weight 0.10000E+01 volume 0.89300E+00 ppm1 8.806 ppm2 7.463
ASSI { 8773}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "97 " and name "HA ")
5.000 5.000 0.000 peak 8773 weight 0.10000E+01 volume 0.50800E+00 ppm1 7.464 ppm2 4.117
ASSI { 8774}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "97 " and name "HB1 ")
5.000 5.000 0.000 peak 8774 weight 0.10000E+01 volume 0.31400E+00 ppm1 7.456 ppm2 2.270
ASSI { 8775}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "97 " and name "HB2 ")
5.000 5.000 0.000 peak 8775 weight 0.10000E+01 volume 0.37900E+00 ppm1 7.460 ppm2 2.012
ASSI { 8777}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HA ")
5.000 5.000 0.000 peak 8777 weight 0.10000E+01 volume 0.55400E+00 ppm1 7.462 ppm2 4.588
ASSI { 8778}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HB1 ")
5.000 5.000 0.000 peak 8778 weight 0.10000E+01 volume 0.14750E+01 ppm1 7.463 ppm2 3.712
ASSI { 8779}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HB2 ")
5.000 5.000 0.000 peak 8779 weight 0.10000E+01 volume 0.12110E+01 ppm1 7.460 ppm2 2.848
ASSI { 8780}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "98 " and name "HD2 ")
6.000 6.000 0.000 peak 8780 weight 0.10000E+01 volume 0.11700E+00 ppm1 7.463 ppm2 7.081
ASSI { 8781}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "99 " and name "HN ")
5.000 5.000 0.000 peak 8781 weight 0.10000E+01 volume 0.12070E+01 ppm1 7.462 ppm2 7.637
ASSI { 8785}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "98 " and name "HA ")
5.000 5.000 0.000 peak 8785 weight 0.10000E+01 volume -0.64200E+00 ppm1 7.634 ppm2 4.592
ASSI { 8787}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HA1 ")
3.300 3.300 0.000 peak 8787 weight 0.10000E+01 volume -0.17650E+01 ppm1 7.634 ppm2 4.352
ASSI { 8788}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "99 " and name "HA2 ")
2.700 2.700 0.000 peak 8788 weight 0.10000E+01 volume -0.36030E+01 ppm1 7.625 ppm2 3.850
ASSI { 8789}
(segid " " and resid "99 " and name "HN ")
(segid " " and resid "100 " and name "HN ")
5.000 5.000 0.000 peak 8789 weight 0.10000E+01 volume -0.13170E+01 ppm1 7.634 ppm2 8.248
ASSI { 8793}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HA ")
5.000 5.000 0.000 peak 8793 weight 0.10000E+01 volume 0.79300E+00 ppm1 8.263 ppm2 4.224
ASSI { 8794}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HB2 ")
2.700 2.700 0.000 peak 8794 weight 0.10000E+01 volume 0.31910E+01 ppm1 8.261 ppm2 1.123
OR { 8794}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HB3 ")
OR { 8794}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "100 " and name "HB1 ")
ASSI { 8795}
(segid " " and resid "100 " and name "HN ")
(segid " " and resid "101 " and name "HN ")
6.000 6.000 0.000 peak 8795 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.258 ppm2 8.964
ASSI { 8799}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HA ")
3.300 3.300 0.000 peak 8799 weight 0.10000E+01 volume 0.20140E+01 ppm1 8.967 ppm2 4.219
ASSI { 8800}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HB2 ")
5.000 5.000 0.000 peak 8800 weight 0.10000E+01 volume 0.60100E+00 ppm1 8.964 ppm2 1.121
OR { 8800}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HB1 ")
OR { 8800}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "100 " and name "HB3 ")
ASSI { 8802}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "101 " and name "HA ")
5.000 5.000 0.000 peak 8802 weight 0.10000E+01 volume 0.36800E+00 ppm1 8.963 ppm2 4.639
ASSI { 8803}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
5.000 5.000 0.000 peak 8803 weight 0.10000E+01 volume 0.12430E+01 ppm1 8.964 ppm2 2.780
ASSI { 8804}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "101 " and name "HB2 ")
5.000 5.000 0.000 peak 8804 weight 0.10000E+01 volume 0.12390E+01 ppm1 8.966 ppm2 2.660
ASSI { 8806}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HA ")
2.700 2.700 0.000 peak 8806 weight 0.10000E+01 volume 0.31380E+01 ppm1 8.505 ppm2 4.650
ASSI { 8807}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HB1 ")
6.000 6.000 0.000 peak 8807 weight 0.10000E+01 volume 0.13600E+00 ppm1 8.511 ppm2 2.782
ASSI { 8808}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HB2 ")
5.000 5.000 0.000 peak 8808 weight 0.10000E+01 volume 0.32200E+00 ppm1 8.508 ppm2 2.646
ASSI { 8811}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HA ")
5.000 5.000 0.000 peak 8811 weight 0.10000E+01 volume 0.54500E+00 ppm1 8.506 ppm2 3.879
ASSI { 8812}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "102 " and name "HB ")
5.000 5.000 0.000 peak 8812 weight 0.10000E+01 volume 0.50500E+00 ppm1 8.502 ppm2 2.198
ASSI { 8816}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "102 " and name "HA ")
5.000 5.000 0.000 peak 8816 weight 0.10000E+01 volume 0.47800E+00 ppm1 8.550 ppm2 3.880
ASSI { 8817}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HA ")
5.000 5.000 0.000 peak 8817 weight 0.10000E+01 volume 0.65900E+00 ppm1 8.546 ppm2 5.340
ASSI { 8818}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HB1 ")
5.000 5.000 0.000 peak 8818 weight 0.10000E+01 volume 0.76700E+00 ppm1 8.547 ppm2 2.942
ASSI { 8819}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HB2 ")
5.000 5.000 0.000 peak 8819 weight 0.10000E+01 volume 0.12950E+01 ppm1 8.544 ppm2 2.574
ASSI { 8820}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HD21")
6.000 6.000 0.000 peak 8820 weight 0.10000E+01 volume 0.12300E+00 ppm1 8.543 ppm2 7.549
ASSI { 8821}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "103 " and name "HD22")
6.000 6.000 0.000 peak 8821 weight 0.10000E+01 volume 0.10300E+00 ppm1 8.547 ppm2 6.753
ASSI { 8822}
(segid " " and resid "103 " and name "HN ")
(segid " " and resid "104 " and name "HN ")
3.300 3.300 0.000 peak 8822 weight 0.10000E+01 volume 0.15120E+01 ppm1 8.546 ppm2 6.326
ASSI { 8830}
(segid " " and resid "103 " and name "HD22")
(segid " " and resid "103 " and name "HB1 ")
5.000 5.000 0.000 peak 8830 weight 0.10000E+01 volume 0.30600E+00 ppm1 6.762 ppm2 2.960
ASSI { 8831}
(segid " " and resid "103 " and name "HD22")
(segid " " and resid "103 " and name "HB2 ")
5.000 5.000 0.000 peak 8831 weight 0.10000E+01 volume 0.56100E+00 ppm1 6.757 ppm2 2.587
ASSI { 8836}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "103 " and name "HA ")
5.000 5.000 0.000 peak 8836 weight 0.10000E+01 volume 0.63700E+00 ppm1 6.335 ppm2 5.341
ASSI { 8837}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "103 " and name "HB2 ")
6.000 6.000 0.000 peak 8837 weight 0.10000E+01 volume 0.12900E+00 ppm1 6.326 ppm2 2.581
ASSI { 8839}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HA ")
5.000 5.000 0.000 peak 8839 weight 0.10000E+01 volume 0.82800E+00 ppm1 6.326 ppm2 4.154
ASSI { 8840}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HB2 ")
2.700 2.700 0.000 peak 8840 weight 0.10000E+01 volume 0.32280E+01 ppm1 6.327 ppm2 1.330
OR { 8840}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HB1 ")
OR { 8840}
(segid " " and resid "104 " and name "HN ")
(segid " " and resid "104 " and name "HB3 ")
ASSI { 8842}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "104 " and name "HA ")
2.700 2.700 0.000 peak 8842 weight 0.10000E+01 volume 0.46760E+01 ppm1 8.239 ppm2 4.145
ASSI { 8843}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "104 " and name "HB3 ")
3.300 3.300 0.000 peak 8843 weight 0.10000E+01 volume 0.25310E+01 ppm1 8.243 ppm2 1.327
OR { 8843}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "104 " and name "HB2 ")
OR { 8843}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "104 " and name "HB1 ")
ASSI { 8844}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "104 " and name "HN ")
6.000 6.000 0.000 peak 8844 weight 0.10000E+01 volume 0.15000E+00 ppm1 8.232 ppm2 6.328
ASSI { 8845}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HA ")
5.000 5.000 0.000 peak 8845 weight 0.10000E+01 volume 0.55100E+00 ppm1 8.237 ppm2 4.937
ASSI { 8846}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HB1 ")
5.000 5.000 0.000 peak 8846 weight 0.10000E+01 volume 0.13790E+01 ppm1 8.243 ppm2 1.821
ASSI { 8847}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HD12")
5.000 5.000 0.000 peak 8847 weight 0.10000E+01 volume 0.44500E+00 ppm1 8.235 ppm2 0.833
OR { 8847}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HD11")
OR { 8847}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HD13")
ASSI { 8848}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HD21")
5.000 5.000 0.000 peak 8848 weight 0.10000E+01 volume 0.42200E+00 ppm1 8.238 ppm2 0.385
OR { 8848}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HD23")
OR { 8848}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HD22")
ASSI { 8849}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "105 " and name "HG ")
3.300 3.300 0.000 peak 8849 weight 0.10000E+01 volume 0.17290E+01 ppm1 8.243 ppm2 1.660
ASSI { 8851}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "81 " and name "HE2 ")
5.000 5.000 0.000 peak 8851 weight 0.10000E+01 volume 0.44100E+00 ppm1 7.642 ppm2 11.101
ASSI { 8852}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "105 " and name "HB1 ")
5.000 5.000 0.000 peak 8852 weight 0.10000E+01 volume 0.36600E+00 ppm1 7.648 ppm2 1.817
ASSI { 8853}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "105 " and name "HB2 ")
5.000 5.000 0.000 peak 8853 weight 0.10000E+01 volume 0.10630E+01 ppm1 7.640 ppm2 1.282
ASSI { 8854}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "105 " and name "HD21")
5.000 5.000 0.000 peak 8854 weight 0.10000E+01 volume 0.48200E+00 ppm1 7.647 ppm2 0.377
OR { 8854}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "105 " and name "HD23")
OR { 8854}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "105 " and name "HD22")
ASSI { 8855}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "105 " and name "HG ")
6.000 6.000 0.000 peak 8855 weight 0.10000E+01 volume 0.24700E+00 ppm1 7.649 ppm2 1.682
ASSI { 8856}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "106 " and name "HA ")
2.700 2.700 0.000 peak 8856 weight 0.10000E+01 volume 0.32990E+01 ppm1 7.646 ppm2 4.935
ASSI { 8857}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "106 " and name "HB1 ")
6.000 6.000 0.000 peak 8857 weight 0.10000E+01 volume 0.26300E+00 ppm1 7.639 ppm2 2.888
ASSI { 8858}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "106 " and name "HB2 ")
5.000 5.000 0.000 peak 8858 weight 0.10000E+01 volume 0.11230E+01 ppm1 7.644 ppm2 1.363
ASSI { 8859}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "110 " and name "HN ")
5.000 5.000 0.000 peak 8859 weight 0.10000E+01 volume 0.80700E+00 ppm1 7.645 ppm2 8.005
ASSI { 8862}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HA ")
5.000 5.000 0.000 peak 8862 weight 0.10000E+01 volume 0.79000E+00 ppm1 8.185 ppm2 4.907
ASSI { 8863}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HB1 ")
5.000 5.000 0.000 peak 8863 weight 0.10000E+01 volume 0.13270E+01 ppm1 8.189 ppm2 2.889
ASSI { 8864}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "106 " and name "HB2 ")
5.000 5.000 0.000 peak 8864 weight 0.10000E+01 volume 0.86600E+00 ppm1 8.192 ppm2 1.361
ASSI { 8866}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "107 " and name "HA ")
5.000 5.000 0.000 peak 8866 weight 0.10000E+01 volume 0.10550E+01 ppm1 8.190 ppm2 4.289
ASSI { 8867}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "107 " and name "HB2 ")
5.000 5.000 0.000 peak 8867 weight 0.10000E+01 volume 0.14110E+01 ppm1 8.184 ppm2 4.042
OR { 8867}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "107 " and name "HB1 ")
ASSI { 8868}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "108 " and name "HN ")
5.000 5.000 0.000 peak 8868 weight 0.10000E+01 volume 0.73700E+00 ppm1 8.181 ppm2 8.478
ASSI { 8875}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HA ")
5.000 5.000 0.000 peak 8875 weight 0.10000E+01 volume 0.87700E+00 ppm1 8.480 ppm2 4.614
ASSI { 8876}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HG23")
5.000 5.000 0.000 peak 8876 weight 0.10000E+01 volume 0.11050E+01 ppm1 8.477 ppm2 1.151
OR { 8876}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HG21")
OR { 8876}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "108 " and name "HG22")
ASSI { 8877}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "110 " and name "HN ")
5.000 5.000 0.000 peak 8877 weight 0.10000E+01 volume 0.34800E+00 ppm1 8.478 ppm2 7.998
ASSI { 8884}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "105 " and name "HD21")
6.000 6.000 0.000 peak 8884 weight 0.10000E+01 volume 0.95000E-01 ppm1 8.503 ppm2 0.388
OR { 8884}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "105 " and name "HD23")
OR { 8884}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "105 " and name "HD22")
ASSI { 8885}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "108 " and name "HA ")
5.000 5.000 0.000 peak 8885 weight 0.10000E+01 volume 0.47500E+00 ppm1 8.511 ppm2 4.608
ASSI { 8886}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "108 " and name "HG21")
6.000 6.000 0.000 peak 8886 weight 0.10000E+01 volume 0.16700E+00 ppm1 8.514 ppm2 1.157
OR { 8886}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "108 " and name "HG23")
OR { 8886}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "108 " and name "HG22")
ASSI { 8887}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "109 " and name "HA1 ")
3.300 3.300 0.000 peak 8887 weight 0.10000E+01 volume 0.15040E+01 ppm1 8.511 ppm2 4.309
ASSI { 8888}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "109 " and name "HA2 ")
3.300 3.300 0.000 peak 8888 weight 0.10000E+01 volume 0.15670E+01 ppm1 8.506 ppm2 3.810
ASSI { 8889}
(segid " " and resid "109 " and name "HN ")
(segid " " and resid "110 " and name "HN ")
5.000 5.000 0.000 peak 8889 weight 0.10000E+01 volume 0.98500E+00 ppm1 8.511 ppm2 8.004
ASSI { 8896}
(segid " " and resid "110 " and name "HN ")
(segid " " and resid "109 " and name "HA1 ")
6.000 6.000 0.000 peak 8896 weight 0.10000E+01 volume 0.26900E+00 ppm1 8.006 ppm2 4.322
ASSI { 8897}
(segid " " and resid "110 " and name "HN ")
(segid " " and resid "111 " and name "HN ")
6.000 6.000 0.000 peak 8897 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.010 ppm2 9.455
ASSI { 8899}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "110 " and name "HB2 ")
5.000 5.000 0.000 peak 8899 weight 0.10000E+01 volume 0.32200E+00 ppm1 9.447 ppm2 3.712
ASSI { 8900}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HA ")
6.000 6.000 0.000 peak 8900 weight 0.10000E+01 volume 0.25200E+00 ppm1 9.446 ppm2 5.268
ASSI { 8901}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HB1 ")
5.000 5.000 0.000 peak 8901 weight 0.10000E+01 volume 0.37100E+00 ppm1 9.444 ppm2 2.431
ASSI { 8902}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HB2 ")
5.000 5.000 0.000 peak 8902 weight 0.10000E+01 volume 0.79600E+00 ppm1 9.450 ppm2 2.014
ASSI { 8903}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HD11")
6.000 6.000 0.000 peak 8903 weight 0.10000E+01 volume 0.19900E+00 ppm1 9.449 ppm2 1.183
OR { 8903}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HD12")
OR { 8903}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HD13")
ASSI { 8904}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HD22")
6.000 6.000 0.000 peak 8904 weight 0.10000E+01 volume 0.26100E+00 ppm1 9.448 ppm2 0.988
OR { 8904}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HD23")
OR { 8904}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HD21")
ASSI { 8905}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "111 " and name "HG ")
5.000 5.000 0.000 peak 8905 weight 0.10000E+01 volume 0.83100E+00 ppm1 9.449 ppm2 1.950
ASSI { 8914}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "112 " and name "HB1 ")
5.000 5.000 0.000 peak 8914 weight 0.10000E+01 volume 0.10510E+01 ppm1 8.274 ppm2 1.995
ASSI { 8915}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "113 " and name "HA ")
5.000 5.000 0.000 peak 8915 weight 0.10000E+01 volume 0.47200E+00 ppm1 8.274 ppm2 3.837
ASSI { 8916}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "113 " and name "HB ")
5.000 5.000 0.000 peak 8916 weight 0.10000E+01 volume 0.10540E+01 ppm1 8.279 ppm2 1.727
ASSI { 8917}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "113 " and name "HG11")
6.000 6.000 0.000 peak 8917 weight 0.10000E+01 volume 0.26900E+00 ppm1 8.276 ppm2 1.448
ASSI { 8918}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "113 " and name "HG12")
6.000 6.000 0.000 peak 8918 weight 0.10000E+01 volume 0.20300E+00 ppm1 8.286 ppm2 1.333
ASSI { 8919}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "113 " and name "HG21")
3.300 3.300 0.000 peak 8919 weight 0.10000E+01 volume 0.19050E+01 ppm1 8.277 ppm2 0.732
OR { 8919}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "113 " and name "HG22")
OR { 8919}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "113 " and name "HG23")
ASSI { 8932}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "113 " and name "HA ")
5.000 5.000 0.000 peak 8932 weight 0.10000E+01 volume 0.34400E+00 ppm1 7.664 ppm2 3.835
ASSI { 8933}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "113 " and name "HG23")
5.000 5.000 0.000 peak 8933 weight 0.10000E+01 volume 0.12240E+01 ppm1 7.666 ppm2 0.743
OR { 8933}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "113 " and name "HG22")
OR { 8933}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "113 " and name "HG21")
ASSI { 8934}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "113 " and name "HN ")
5.000 5.000 0.000 peak 8934 weight 0.10000E+01 volume 0.50100E+00 ppm1 7.669 ppm2 8.270
ASSI { 8935}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "114 " and name "HA ")
5.000 5.000 0.000 peak 8935 weight 0.10000E+01 volume 0.83000E+00 ppm1 7.665 ppm2 3.973
ASSI { 8936}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "114 " and name "HB1 ")
5.000 5.000 0.000 peak 8936 weight 0.10000E+01 volume 0.10640E+01 ppm1 7.670 ppm2 3.660
ASSI { 8937}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "114 " and name "HB2 ")
5.000 5.000 0.000 peak 8937 weight 0.10000E+01 volume 0.59900E+00 ppm1 7.666 ppm2 3.506
ASSI { 8938}
(segid " " and resid "114 " and name "HN ")
(segid " " and resid "115 " and name "HN ")
5.000 5.000 0.000 peak 8938 weight 0.10000E+01 volume 0.89200E+00 ppm1 7.669 ppm2 7.298
ASSI { 8940}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "114 " and name "HA ")
5.000 5.000 0.000 peak 8940 weight 0.10000E+01 volume 0.37200E+00 ppm1 7.309 ppm2 3.958
ASSI { 8941}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "114 " and name "HB1 ")
5.000 5.000 0.000 peak 8941 weight 0.10000E+01 volume 0.47500E+00 ppm1 7.306 ppm2 3.651
ASSI { 8942}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "114 " and name "HB2 ")
6.000 6.000 0.000 peak 8942 weight 0.10000E+01 volume 0.23700E+00 ppm1 7.314 ppm2 3.501
ASSI { 8944}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HA ")
5.000 5.000 0.000 peak 8944 weight 0.10000E+01 volume 0.69100E+00 ppm1 7.309 ppm2 4.088
ASSI { 8945}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HB1 ")
5.000 5.000 0.000 peak 8945 weight 0.10000E+01 volume 0.74700E+00 ppm1 7.305 ppm2 2.210
ASSI { 8946}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HB2 ")
5.000 5.000 0.000 peak 8946 weight 0.10000E+01 volume 0.51000E+00 ppm1 7.311 ppm2 1.398
ASSI { 8947}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HD13")
5.000 5.000 0.000 peak 8947 weight 0.10000E+01 volume 0.52400E+00 ppm1 7.311 ppm2 1.223
OR { 8947}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HD12")
OR { 8947}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HD11")
ASSI { 8948}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HD23")
5.000 5.000 0.000 peak 8948 weight 0.10000E+01 volume 0.46200E+00 ppm1 7.309 ppm2 0.956
OR { 8948}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HD22")
OR { 8948}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HD21")
ASSI { 8949}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "115 " and name "HG ")
3.300 3.300 0.000 peak 8949 weight 0.10000E+01 volume 0.17600E+01 ppm1 7.300 ppm2 2.032
ASSI { 8950}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "116 " and name "HN ")
5.000 5.000 0.000 peak 8950 weight 0.10000E+01 volume 0.72300E+00 ppm1 7.298 ppm2 7.904
ASSI { 8954}
(segid " " and resid "116 " and name "HN ")
(segid " " and resid "116 " and name "HB2 ")
2.700 2.700 0.000 peak 8954 weight 0.10000E+01 volume 0.32610E+01 ppm1 7.892 ppm2 1.488
OR { 8954}
(segid " " and resid "116 " and name "HN ")
(segid " " and resid "116 " and name "HB3 ")
OR { 8954}
(segid " " and resid "116 " and name "HN ")
(segid " " and resid "116 " and name "HB1 ")
ASSI { 8961}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "116 " and name "HB1 ")
5.000 5.000 0.000 peak 8961 weight 0.10000E+01 volume 0.10130E+01 ppm1 7.943 ppm2 1.487
OR { 8961}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "116 " and name "HB2 ")
OR { 8961}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "116 " and name "HB3 ")
ASSI { 8962}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HA ")
5.000 5.000 0.000 peak 8962 weight 0.10000E+01 volume 0.67500E+00 ppm1 7.949 ppm2 3.522
ASSI { 8963}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HB ")
2.700 2.700 0.000 peak 8963 weight 0.10000E+01 volume 0.31000E+01 ppm1 7.943 ppm2 2.058
ASSI { 8964}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HD11")
5.000 5.000 0.000 peak 8964 weight 0.10000E+01 volume 0.14890E+01 ppm1 7.946 ppm2 0.884
OR { 8964}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HD13")
OR { 8964}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HD12")
ASSI { 8965}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HG23")
5.000 5.000 0.000 peak 8965 weight 0.10000E+01 volume 0.14430E+01 ppm1 7.942 ppm2 0.757
OR { 8965}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HG21")
OR { 8965}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "117 " and name "HG22")
ASSI { 8966}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "118 " and name "HN ")
5.000 5.000 0.000 peak 8966 weight 0.10000E+01 volume 0.12490E+01 ppm1 7.943 ppm2 8.113
ASSI { 8968}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "115 " and name "HA ")
3.300 3.300 0.000 peak 8968 weight 0.10000E+01 volume 0.18240E+01 ppm1 8.119 ppm2 4.044
ASSI { 8969}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "117 " and name "HA ")
5.000 5.000 0.000 peak 8969 weight 0.10000E+01 volume 0.35200E+00 ppm1 8.113 ppm2 3.519
ASSI { 8970}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "117 " and name "HG23")
3.300 3.300 0.000 peak 8970 weight 0.10000E+01 volume 0.21670E+01 ppm1 8.125 ppm2 0.778
OR { 8970}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "117 " and name "HG21")
OR { 8970}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "117 " and name "HG22")
ASSI { 8972}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "118 " and name "HA ")
5.000 5.000 0.000 peak 8972 weight 0.10000E+01 volume 0.13370E+01 ppm1 8.120 ppm2 3.678
ASSI { 8973}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "119 " and name "HN ")
5.000 5.000 0.000 peak 8973 weight 0.10000E+01 volume 0.95500E+00 ppm1 8.116 ppm2 7.323
ASSI { 8975}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "116 " and name "HA ")
6.000 6.000 0.000 peak 8975 weight 0.10000E+01 volume 0.22100E+00 ppm1 7.324 ppm2 4.138
ASSI { 8976}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "118 " and name "HA ")
6.000 6.000 0.000 peak 8976 weight 0.10000E+01 volume 0.29100E+00 ppm1 7.318 ppm2 3.677
ASSI { 8977}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "118 " and name "HG1 ")
6.000 6.000 0.000 peak 8977 weight 0.10000E+01 volume 0.27600E+00 ppm1 7.329 ppm2 1.921
ASSI { 8979}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "119 " and name "HA ")
5.000 5.000 0.000 peak 8979 weight 0.10000E+01 volume 0.46800E+00 ppm1 7.324 ppm2 4.261
ASSI { 8980}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "119 " and name "HB1 ")
3.300 3.300 0.000 peak 8980 weight 0.10000E+01 volume 0.18560E+01 ppm1 7.328 ppm2 2.053
ASSI { 8981}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "119 " and name "HB2 ")
5.000 5.000 0.000 peak 8981 weight 0.10000E+01 volume 0.10300E+01 ppm1 7.327 ppm2 1.546
ASSI { 8982}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "119 " and name "HG1 ")
5.000 5.000 0.000 peak 8982 weight 0.10000E+01 volume 0.68600E+00 ppm1 7.330 ppm2 2.961
ASSI { 8983}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "119 " and name "HG2 ")
5.000 5.000 0.000 peak 8983 weight 0.10000E+01 volume 0.92500E+00 ppm1 7.330 ppm2 2.404
ASSI { 8984}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "120 " and name "HN ")
5.000 5.000 0.000 peak 8984 weight 0.10000E+01 volume 0.92800E+00 ppm1 7.326 ppm2 7.477
ASSI { 8991}
(segid " " and resid "120 " and name "HN ")
(segid " " and resid "119 " and name "HA ")
6.000 6.000 0.000 peak 8991 weight 0.10000E+01 volume -0.61000E-01 ppm1 7.480 ppm2 4.259
ASSI { 8992}
(segid " " and resid "120 " and name "HN ")
(segid " " and resid "119 " and name "HB1 ")
5.000 5.000 0.000 peak 8992 weight 0.10000E+01 volume -0.34900E+00 ppm1 7.478 ppm2 2.057
ASSI { 8993}
(segid " " and resid "120 " and name "HN ")
(segid " " and resid "119 " and name "HB2 ")
6.000 6.000 0.000 peak 8993 weight 0.10000E+01 volume -0.12400E+00 ppm1 7.487 ppm2 1.549
ASSI { 8995}
(segid " " and resid "120 " and name "HN ")
(segid " " and resid "120 " and name "HA1 ")
5.000 5.000 0.000 peak 8995 weight 0.10000E+01 volume -0.14980E+01 ppm1 7.474 ppm2 4.031
ASSI { 8996}
(segid " " and resid "120 " and name "HN ")
(segid " " and resid "120 " and name "HA2 ")
3.300 3.300 0.000 peak 8996 weight 0.10000E+01 volume -0.24610E+01 ppm1 7.477 ppm2 3.538
ASSI { 8997}
(segid " " and resid "120 " and name "HN ")
(segid " " and resid "121 " and name "HN ")
5.000 5.000 0.000 peak 8997 weight 0.10000E+01 volume -0.13550E+01 ppm1 7.477 ppm2 7.836
ASSI { 9002}
(segid " " and resid "121 " and name "HN ")
(segid " " and resid "120 " and name "HA1 ")
5.000 5.000 0.000 peak 9002 weight 0.10000E+01 volume 0.78400E+00 ppm1 7.844 ppm2 4.030
ASSI { 9003}
(segid " " and resid "121 " and name "HN ")
(segid " " and resid "120 " and name "HA2 ")
5.000 5.000 0.000 peak 9003 weight 0.10000E+01 volume 0.83100E+00 ppm1 7.837 ppm2 3.542
ASSI { 9005}
(segid " " and resid "121 " and name "HN ")
(segid " " and resid "121 " and name "HA ")
5.000 5.000 0.000 peak 9005 weight 0.10000E+01 volume 0.72300E+00 ppm1 7.831 ppm2 5.232
ASSI { 9006}
(segid " " and resid "121 " and name "HN ")
(segid " " and resid "121 " and name "HB1 ")
5.000 5.000 0.000 peak 9006 weight 0.10000E+01 volume 0.85900E+00 ppm1 7.833 ppm2 3.151
ASSI { 9007}
(segid " " and resid "121 " and name "HN ")
(segid " " and resid "121 " and name "HB2 ")
3.300 3.300 0.000 peak 9007 weight 0.10000E+01 volume 0.15120E+01 ppm1 7.834 ppm2 3.018
ASSI { 9008}
(segid " " and resid "121 " and name "HN ")
(segid " " and resid "121 " and name "HD2 ")
5.000 5.000 0.000 peak 9008 weight 0.10000E+01 volume 0.76200E+00 ppm1 7.837 ppm2 7.282
ASSI { 9016}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "123 " and name "HB2 ")
6.000 6.000 0.000 peak 9016 weight 0.10000E+01 volume 0.28000E+00 ppm1 7.132 ppm2 3.993
OR { 9016}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "123 " and name "HB1 ")
ASSI { 9017}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "124 " and name "HA ")
5.000 5.000 0.000 peak 9017 weight 0.10000E+01 volume 0.51200E+00 ppm1 7.135 ppm2 3.739
ASSI { 9018}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "124 " and name "HB ")
5.000 5.000 0.000 peak 9018 weight 0.10000E+01 volume 0.93600E+00 ppm1 7.130 ppm2 2.383
ASSI { 9019}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "124 " and name "HG21")
3.300 3.300 0.000 peak 9019 weight 0.10000E+01 volume 0.20280E+01 ppm1 7.132 ppm2 0.936
OR { 9019}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "124 " and name "HG23")
OR { 9019}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "124 " and name "HG22")
ASSI { 9021}
(segid " " and resid "125 " and name "HN ")
(segid " " and resid "124 " and name "HB ")
5.000 5.000 0.000 peak 9021 weight 0.10000E+01 volume 0.97700E+00 ppm1 8.132 ppm2 2.381
ASSI { 9024}
(segid " " and resid "125 " and name "HN ")
(segid " " and resid "125 " and name "HA ")
5.000 5.000 0.000 peak 9024 weight 0.10000E+01 volume 0.83100E+00 ppm1 8.139 ppm2 3.372
ASSI { 9025}
(segid " " and resid "125 " and name "HN ")
(segid " " and resid "126 " and name "HN ")
3.300 3.300 0.000 peak 9025 weight 0.10000E+01 volume 0.18150E+01 ppm1 8.127 ppm2 8.493
ASSI { 9033}
(segid " " and resid "126 " and name "HN ")
(segid " " and resid "125 " and name "HB ")
5.000 5.000 0.000 peak 9033 weight 0.10000E+01 volume 0.13410E+01 ppm1 8.496 ppm2 2.227
ASSI { 9035}
(segid " " and resid "126 " and name "HN ")
(segid " " and resid "126 " and name "HA ")
2.700 2.700 0.000 peak 9035 weight 0.10000E+01 volume 0.37150E+01 ppm1 8.497 ppm2 4.009
ASSI { 9036}
(segid " " and resid "126 " and name "HN ")
(segid " " and resid "127 " and name "HN ")
5.000 5.000 0.000 peak 9036 weight 0.10000E+01 volume 0.81000E+00 ppm1 8.499 ppm2 7.419
ASSI { 9040}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "124 " and name "HA ")
5.000 5.000 0.000 peak 9040 weight 0.10000E+01 volume 0.84500E+00 ppm1 7.423 ppm2 3.747
ASSI { 9041}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "126 " and name "HA ")
3.300 3.300 0.000 peak 9041 weight 0.10000E+01 volume 0.15120E+01 ppm1 7.425 ppm2 4.008
ASSI { 9042}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "127 " and name "HA ")
5.000 5.000 0.000 peak 9042 weight 0.10000E+01 volume 0.11220E+01 ppm1 7.424 ppm2 4.314
ASSI { 9043}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "127 " and name "HB1 ")
3.300 3.300 0.000 peak 9043 weight 0.10000E+01 volume 0.15460E+01 ppm1 7.423 ppm2 3.419
ASSI { 9044}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "127 " and name "HB2 ")
3.300 3.300 0.000 peak 9044 weight 0.10000E+01 volume 0.18030E+01 ppm1 7.425 ppm2 2.935
ASSI { 9045}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "127 " and name "HD1 ")
5.000 5.000 0.000 peak 9045 weight 0.10000E+01 volume 0.33800E+00 ppm1 7.423 ppm2 7.126
OR { 9045}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "127 " and name "HD2 ")
ASSI { 9046}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "128 " and name "HN ")
5.000 5.000 0.000 peak 9046 weight 0.10000E+01 volume 0.11000E+01 ppm1 7.426 ppm2 8.228
ASSI { 9047}
(segid " " and resid "127 " and name "HN ")
(segid " " and resid "129 " and name "HN ")
5.000 5.000 0.000 peak 9047 weight 0.10000E+01 volume 0.10560E+01 ppm1 7.423 ppm2 8.292
ASSI { 9056}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "127 " and name "HA ")
6.000 6.000 0.000 peak 9056 weight 0.10000E+01 volume 0.18000E+00 ppm1 8.232 ppm2 4.301
ASSI { 9057}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "127 " and name "HB1 ")
5.000 5.000 0.000 peak 9057 weight 0.10000E+01 volume 0.68200E+00 ppm1 8.230 ppm2 3.397
ASSI { 9058}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "127 " and name "HB2 ")
5.000 5.000 0.000 peak 9058 weight 0.10000E+01 volume 0.56900E+00 ppm1 8.232 ppm2 2.943
ASSI { 9059}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "127 " and name "HD1 ")
5.000 5.000 0.000 peak 9059 weight 0.10000E+01 volume 0.37600E+00 ppm1 8.230 ppm2 7.125
OR { 9059}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "127 " and name "HD2 ")
ASSI { 9061}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HA ")
5.000 5.000 0.000 peak 9061 weight 0.10000E+01 volume 0.61300E+00 ppm1 8.227 ppm2 3.870
ASSI { 9062}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HB1 ")
5.000 5.000 0.000 peak 9062 weight 0.10000E+01 volume 0.98500E+00 ppm1 8.231 ppm2 1.717
ASSI { 9063}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HD12")
5.000 5.000 0.000 peak 9063 weight 0.10000E+01 volume 0.82000E+00 ppm1 8.229 ppm2 0.722
OR { 9063}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HD11")
OR { 9063}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HD13")
ASSI { 9064}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HD21")
5.000 5.000 0.000 peak 9064 weight 0.10000E+01 volume 0.10670E+01 ppm1 8.234 ppm2 0.892
OR { 9064}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HD23")
OR { 9064}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HD22")
ASSI { 9065}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "128 " and name "HG ")
5.000 5.000 0.000 peak 9065 weight 0.10000E+01 volume 0.11060E+01 ppm1 8.229 ppm2 2.004
ASSI { 9072}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "126 " and name "HA ")
6.000 6.000 0.000 peak 9072 weight 0.10000E+01 volume 0.23700E+00 ppm1 8.297 ppm2 4.009
ASSI { 9073}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "128 " and name "HA ")
5.000 5.000 0.000 peak 9073 weight 0.10000E+01 volume 0.40100E+00 ppm1 8.297 ppm2 3.871
ASSI { 9074}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "128 " and name "HB1 ")
5.000 5.000 0.000 peak 9074 weight 0.10000E+01 volume 0.45800E+00 ppm1 8.298 ppm2 1.730
ASSI { 9075}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "128 " and name "HB2 ")
5.000 5.000 0.000 peak 9075 weight 0.10000E+01 volume 0.13950E+01 ppm1 8.294 ppm2 1.222
ASSI { 9076}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "128 " and name "HD12")
5.000 5.000 0.000 peak 9076 weight 0.10000E+01 volume 0.10130E+01 ppm1 8.284 ppm2 0.725
OR { 9076}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "128 " and name "HD11")
OR { 9076}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "128 " and name "HD13")
ASSI { 9077}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "128 " and name "HG ")
6.000 6.000 0.000 peak 9077 weight 0.10000E+01 volume 0.12900E+00 ppm1 8.291 ppm2 2.005
ASSI { 9078}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "129 " and name "HA ")
5.000 5.000 0.000 peak 9078 weight 0.10000E+01 volume 0.94100E+00 ppm1 8.290 ppm2 3.742
ASSI { 9079}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "129 " and name "HB3 ")
3.300 3.300 0.000 peak 9079 weight 0.10000E+01 volume 0.29590E+01 ppm1 8.291 ppm2 1.126
OR { 9079}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "129 " and name "HB1 ")
OR { 9079}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "129 " and name "HB2 ")
ASSI { 9080}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "130 " and name "HD1 ")
5.000 5.000 0.000 peak 9080 weight 0.10000E+01 volume 0.71400E+00 ppm1 8.293 ppm2 3.472
ASSI { 9081}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "130 " and name "HD2 ")
5.000 5.000 0.000 peak 9081 weight 0.10000E+01 volume 0.57900E+00 ppm1 8.287 ppm2 3.069
ASSI { 9090}
(segid " " and resid "131 " and name "HN ")
(segid " " and resid "130 " and name "HA ")
5.000 5.000 0.000 peak 9090 weight 0.10000E+01 volume 0.39500E+00 ppm1 6.828 ppm2 4.157
ASSI { 9092}
(segid " " and resid "131 " and name "HN ")
(segid " " and resid "131 " and name "HA ")
5.000 5.000 0.000 peak 9092 weight 0.10000E+01 volume 0.65700E+00 ppm1 6.827 ppm2 4.551
ASSI { 9093}
(segid " " and resid "131 " and name "HN ")
(segid " " and resid "131 " and name "HB1 ")
5.000 5.000 0.000 peak 9093 weight 0.10000E+01 volume 0.78100E+00 ppm1 6.821 ppm2 2.290
ASSI { 9094}
(segid " " and resid "131 " and name "HN ")
(segid " " and resid "131 " and name "HG1 ")
5.000 5.000 0.000 peak 9094 weight 0.10000E+01 volume 0.59200E+00 ppm1 6.826 ppm2 2.074
ASSI { 9095}
(segid " " and resid "131 " and name "HN ")
(segid " " and resid "131 " and name "HG2 ")
5.000 5.000 0.000 peak 9095 weight 0.10000E+01 volume 0.11410E+01 ppm1 6.825 ppm2 1.968
ASSI { 9101}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "131 " and name "HA ")
6.000 6.000 0.000 peak 9101 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.008 ppm2 4.543
ASSI { 9102}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "131 " and name "HB2 ")
6.000 6.000 0.000 peak 9102 weight 0.10000E+01 volume 0.24000E+00 ppm1 7.008 ppm2 1.475
ASSI { 9103}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "131 " and name "HG2 ")
6.000 6.000 0.000 peak 9103 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.009 ppm2 1.968
ASSI { 9105}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "132 " and name "HA ")
5.000 5.000 0.000 peak 9105 weight 0.10000E+01 volume 0.44400E+00 ppm1 7.018 ppm2 5.071
ASSI { 9106}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "132 " and name "HB1 ")
3.300 3.300 0.000 peak 9106 weight 0.10000E+01 volume 0.16410E+01 ppm1 7.017 ppm2 3.525
OR { 9106}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "132 " and name "HB2 ")
ASSI { 9107}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "132 " and name "HG ")
5.000 5.000 0.000 peak 9107 weight 0.10000E+01 volume 0.97600E+00 ppm1 7.012 ppm2 4.778
ASSI { 9108}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "133 " and name "HN ")
6.000 6.000 0.000 peak 9108 weight 0.10000E+01 volume 0.89000E-01 ppm1 7.014 ppm2 8.701
ASSI { 9115}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "132 " and name "HA ")
3.300 3.300 0.000 peak 9115 weight 0.10000E+01 volume 0.18820E+01 ppm1 8.718 ppm2 5.071
ASSI { 9116}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "132 " and name "HB1 ")
5.000 5.000 0.000 peak 9116 weight 0.10000E+01 volume 0.52700E+00 ppm1 8.714 ppm2 3.540
OR { 9116}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "132 " and name "HB2 ")
ASSI { 9117}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "133 " and name "HA ")
5.000 5.000 0.000 peak 9117 weight 0.10000E+01 volume 0.77200E+00 ppm1 8.715 ppm2 4.688
ASSI { 9118}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "133 " and name "HB1 ")
5.000 5.000 0.000 peak 9118 weight 0.10000E+01 volume 0.95700E+00 ppm1 8.718 ppm2 2.919
ASSI { 9119}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "133 " and name "HB2 ")
5.000 5.000 0.000 peak 9119 weight 0.10000E+01 volume 0.97200E+00 ppm1 8.713 ppm2 2.588
ASSI { 9120}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "134 " and name "HN ")
6.000 6.000 0.000 peak 9120 weight 0.10000E+01 volume 0.10200E+00 ppm1 8.721 ppm2 7.974
ASSI { 9123}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "133 " and name "HA ")
3.300 3.300 0.000 peak 9123 weight 0.10000E+01 volume 0.26270E+01 ppm1 7.965 ppm2 4.689
ASSI { 9125}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HA ")
5.000 5.000 0.000 peak 9125 weight 0.10000E+01 volume 0.66300E+00 ppm1 7.964 ppm2 3.876
ASSI { 9126}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HB1 ")
3.300 3.300 0.000 peak 9126 weight 0.10000E+01 volume 0.17730E+01 ppm1 7.968 ppm2 1.672
ASSI { 9127}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HB2 ")
3.300 3.300 0.000 peak 9127 weight 0.10000E+01 volume 0.17080E+01 ppm1 7.960 ppm2 1.608
ASSI { 9128}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HD11")
5.000 5.000 0.000 peak 9128 weight 0.10000E+01 volume 0.53800E+00 ppm1 7.964 ppm2 0.930
OR { 9128}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HD13")
OR { 9128}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HD12")
ASSI { 9129}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HD21")
5.000 5.000 0.000 peak 9129 weight 0.10000E+01 volume 0.56000E+00 ppm1 7.956 ppm2 0.692
OR { 9129}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HD23")
OR { 9129}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HD22")
ASSI { 9130}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "134 " and name "HG ")
3.300 3.300 0.000 peak 9130 weight 0.10000E+01 volume 0.18040E+01 ppm1 7.957 ppm2 1.949
ASSI { 9133}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "134 " and name "HA ")
6.000 6.000 0.000 peak 9133 weight 0.10000E+01 volume 0.26800E+00 ppm1 8.049 ppm2 3.880
ASSI { 9134}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "134 " and name "HB1 ")
6.000 6.000 0.000 peak 9134 weight 0.10000E+01 volume 0.15600E+00 ppm1 8.047 ppm2 1.688
ASSI { 9135}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "134 " and name "HD21")
6.000 6.000 0.000 peak 9135 weight 0.10000E+01 volume 0.17800E+00 ppm1 8.054 ppm2 0.693
OR { 9135}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "134 " and name "HD23")
OR { 9135}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "134 " and name "HD22")
ASSI { 9136}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "134 " and name "HG ")
6.000 6.000 0.000 peak 9136 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.052 ppm2 1.949
ASSI { 9137}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "135 " and name "HA ")
5.000 5.000 0.000 peak 9137 weight 0.10000E+01 volume 0.14900E+01 ppm1 8.053 ppm2 4.720
ASSI { 9138}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "135 " and name "HB1 ")
5.000 5.000 0.000 peak 9138 weight 0.10000E+01 volume 0.11430E+01 ppm1 8.056 ppm2 3.337
ASSI { 9139}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "135 " and name "HB2 ")
5.000 5.000 0.000 peak 9139 weight 0.10000E+01 volume 0.14950E+01 ppm1 8.049 ppm2 3.107
ASSI { 9140}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "135 " and name "HD2 ")
6.000 6.000 0.000 peak 9140 weight 0.10000E+01 volume 0.25700E+00 ppm1 8.051 ppm2 7.100
ASSI { 9146}
(segid " " and resid "136 " and name "HN ")
(segid " " and resid "135 " and name "HA ")
5.000 5.000 0.000 peak 9146 weight 0.10000E+01 volume 0.58600E+00 ppm1 7.555 ppm2 4.722
ASSI { 9148}
(segid " " and resid "136 " and name "HN ")
(segid " " and resid "136 " and name "HA ")
5.000 5.000 0.000 peak 9148 weight 0.10000E+01 volume 0.88600E+00 ppm1 7.557 ppm2 4.291
ASSI { 9151}
(segid " " and resid "137 " and name "HN ")
(segid " " and resid "136 " and name "HA ")
2.700 2.700 0.000 peak 9151 weight 0.10000E+01 volume 0.34770E+01 ppm1 7.446 ppm2 4.288
ASSI { 9153}
(segid " " and resid "137 " and name "HN ")
(segid " " and resid "137 " and name "HB1 ")
5.000 5.000 0.000 peak 9153 weight 0.10000E+01 volume 0.10220E+01 ppm1 7.446 ppm2 1.546
ASSI { 9154}
(segid " " and resid "137 " and name "HN ")
(segid " " and resid "137 " and name "HB2 ")
5.000 5.000 0.000 peak 9154 weight 0.10000E+01 volume 0.76800E+00 ppm1 7.451 ppm2 1.259
ASSI { 9155}
(segid " " and resid "137 " and name "HN ")
(segid " " and resid "137 " and name "HD2 ")
5.000 5.000 0.000 peak 9155 weight 0.10000E+01 volume 0.62200E+00 ppm1 7.446 ppm2 3.122
OR { 9155}
(segid " " and resid "137 " and name "HN ")
(segid " " and resid "137 " and name "HD1 ")
ASSI { 9156}
(segid " " and resid "137 " and name "HN ")
(segid " " and resid "137 " and name "HG1 ")
5.000 5.000 0.000 peak 9156 weight 0.10000E+01 volume 0.98600E+00 ppm1 7.451 ppm2 1.677
ASSI { 9157}
(segid " " and resid "137 " and name "HN ")
(segid " " and resid "137 " and name "HG2 ")
5.000 5.000 0.000 peak 9157 weight 0.10000E+01 volume 0.46700E+00 ppm1 7.450 ppm2 1.438
ASSI { 9162}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "137 " and name "HA ")
3.300 3.300 0.000 peak 9162 weight 0.10000E+01 volume 0.25570E+01 ppm1 7.705 ppm2 4.214
ASSI { 9163}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "137 " and name "HB2 ")
5.000 5.000 0.000 peak 9163 weight 0.10000E+01 volume 0.50300E+00 ppm1 7.706 ppm2 1.266
ASSI { 9164}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "137 " and name "HG1 ")
5.000 5.000 0.000 peak 9164 weight 0.10000E+01 volume 0.71400E+00 ppm1 7.704 ppm2 1.672
ASSI { 9165}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "137 " and name "HN ")
6.000 6.000 0.000 peak 9165 weight 0.10000E+01 volume 0.14300E+00 ppm1 7.705 ppm2 7.436
ASSI { 9166}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "138 " and name "HA ")
5.000 5.000 0.000 peak 9166 weight 0.10000E+01 volume 0.58500E+00 ppm1 7.701 ppm2 4.569
ASSI { 9167}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "138 " and name "HB1 ")
5.000 5.000 0.000 peak 9167 weight 0.10000E+01 volume 0.36600E+00 ppm1 7.706 ppm2 2.858
ASSI { 9168}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "142 " and name "HN ")
5.000 5.000 0.000 peak 9168 weight 0.10000E+01 volume 0.53700E+00 ppm1 7.704 ppm2 8.193
ASSI { 9172}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "138 " and name "HA ")
5.000 5.000 0.000 peak 9172 weight 0.10000E+01 volume 0.14330E+01 ppm1 8.296 ppm2 4.571
ASSI { 9173}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "138 " and name "HB1 ")
3.300 3.300 0.000 peak 9173 weight 0.10000E+01 volume 0.15770E+01 ppm1 8.296 ppm2 2.856
ASSI { 9174}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "138 " and name "HB2 ")
5.000 5.000 0.000 peak 9174 weight 0.10000E+01 volume 0.12730E+01 ppm1 8.299 ppm2 1.597
ASSI { 9175}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "138 " and name "HN ")
6.000 6.000 0.000 peak 9175 weight 0.10000E+01 volume 0.14600E+00 ppm1 8.296 ppm2 7.712
ASSI { 9176}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "139 " and name "HA ")
3.300 3.300 0.000 peak 9176 weight 0.10000E+01 volume 0.23110E+01 ppm1 8.291 ppm2 4.128
ASSI { 9177}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "139 " and name "HB2 ")
3.300 3.300 0.000 peak 9177 weight 0.10000E+01 volume 0.28910E+01 ppm1 8.297 ppm2 1.394
OR { 9177}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "139 " and name "HB1 ")
OR { 9177}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "139 " and name "HB3 ")
ASSI { 9178}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "140 " and name "HN ")
3.300 3.300 0.000 peak 9178 weight 0.10000E+01 volume 0.24090E+01 ppm1 8.297 ppm2 8.143
ASSI { 9183}
(segid " " and resid "140 " and name "HN ")
(segid " " and resid "139 " and name "HA ")
3.300 3.300 0.000 peak 9183 weight 0.10000E+01 volume 0.17380E+01 ppm1 8.138 ppm2 4.117
ASSI { 9184}
(segid " " and resid "140 " and name "HN ")
(segid " " and resid "139 " and name "HB1 ")
5.000 5.000 0.000 peak 9184 weight 0.10000E+01 volume 0.81200E+00 ppm1 8.136 ppm2 1.399
OR { 9184}
(segid " " and resid "140 " and name "HN ")
(segid " " and resid "139 " and name "HB3 ")
OR { 9184}
(segid " " and resid "140 " and name "HN ")
(segid " " and resid "139 " and name "HB2 ")
ASSI { 9186}
(segid " " and resid "140 " and name "HN ")
(segid " " and resid "140 " and name "HA ")
5.000 5.000 0.000 peak 9186 weight 0.10000E+01 volume 0.11680E+01 ppm1 8.140 ppm2 4.516
ASSI { 9187}
(segid " " and resid "140 " and name "HN ")
(segid " " and resid "140 " and name "HB2 ")
5.000 5.000 0.000 peak 9187 weight 0.10000E+01 volume 0.78900E+00 ppm1 8.132 ppm2 3.918
ASSI { 9192}
(segid " " and resid "141 " and name "HN ")
(segid " " and resid "140 " and name "HN ")
2.700 2.700 0.000 peak 9192 weight 0.10000E+01 volume 0.33330E+01 ppm1 8.449 ppm2 8.145
ASSI { 9193}
(segid " " and resid "141 " and name "HN ")
(segid " " and resid "141 " and name "HA1 ")
5.000 5.000 0.000 peak 9193 weight 0.10000E+01 volume 0.12740E+01 ppm1 8.450 ppm2 4.322
ASSI { 9194}
(segid " " and resid "141 " and name "HN ")
(segid " " and resid "141 " and name "HA2 ")
3.300 3.300 0.000 peak 9194 weight 0.10000E+01 volume 0.16730E+01 ppm1 8.451 ppm2 3.686
ASSI { 9195}
(segid " " and resid "141 " and name "HN ")
(segid " " and resid "142 " and name "HN ")
3.300 3.300 0.000 peak 9195 weight 0.10000E+01 volume 0.28950E+01 ppm1 8.451 ppm2 8.205
ASSI { 9199}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "141 " and name "HA1 ")
5.000 5.000 0.000 peak 9199 weight 0.10000E+01 volume 0.37200E+00 ppm1 8.199 ppm2 4.324
ASSI { 9200}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "141 " and name "HA2 ")
5.000 5.000 0.000 peak 9200 weight 0.10000E+01 volume 0.47500E+00 ppm1 8.195 ppm2 3.692
ASSI { 9202}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HA ")
5.000 5.000 0.000 peak 9202 weight 0.10000E+01 volume 0.50700E+00 ppm1 8.203 ppm2 4.992
ASSI { 9203}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HB1 ")
5.000 5.000 0.000 peak 9203 weight 0.10000E+01 volume 0.96900E+00 ppm1 8.199 ppm2 2.063
ASSI { 9204}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HB2 ")
5.000 5.000 0.000 peak 9204 weight 0.10000E+01 volume 0.72200E+00 ppm1 8.202 ppm2 1.318
ASSI { 9205}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HD11")
6.000 6.000 0.000 peak 9205 weight 0.10000E+01 volume 0.26300E+00 ppm1 8.194 ppm2 0.881
OR { 9205}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HD12")
OR { 9205}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HD13")
ASSI { 9206}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HD23")
5.000 5.000 0.000 peak 9206 weight 0.10000E+01 volume 0.30000E+00 ppm1 8.196 ppm2 0.746
OR { 9206}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HD21")
OR { 9206}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HD22")
ASSI { 9207}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "142 " and name "HG ")
5.000 5.000 0.000 peak 9207 weight 0.10000E+01 volume 0.13700E+01 ppm1 8.198 ppm2 1.505
ASSI { 9208}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "143 " and name "HN ")
5.000 5.000 0.000 peak 9208 weight 0.10000E+01 volume 0.50400E+00 ppm1 8.203 ppm2 8.552
ASSI { 9211}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "142 " and name "HA ")
3.300 3.300 0.000 peak 9211 weight 0.10000E+01 volume 0.17290E+01 ppm1 8.540 ppm2 4.988
ASSI { 9212}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "142 " and name "HD21")
5.000 5.000 0.000 peak 9212 weight 0.10000E+01 volume 0.46700E+00 ppm1 8.542 ppm2 0.742
OR { 9212}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "142 " and name "HD23")
OR { 9212}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "142 " and name "HD22")
ASSI { 9214}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "143 " and name "HA ")
5.000 5.000 0.000 peak 9214 weight 0.10000E+01 volume 0.34600E+00 ppm1 8.541 ppm2 5.345
ASSI { 9215}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "143 " and name "HG22")
5.000 5.000 0.000 peak 9215 weight 0.10000E+01 volume 0.12910E+01 ppm1 8.542 ppm2 1.251
OR { 9215}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "143 " and name "HG23")
OR { 9215}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "143 " and name "HG21")
ASSI { 9224}
(segid " " and resid "145 " and name "HN ")
(segid " " and resid "145 " and name "HA ")
5.000 5.000 0.000 peak 9224 weight 0.10000E+01 volume 0.66000E+00 ppm1 8.795 ppm2 3.923
ASSI { 9225}
(segid " " and resid "145 " and name "HN ")
(segid " " and resid "145 " and name "HB1 ")
3.300 3.300 0.000 peak 9225 weight 0.10000E+01 volume 0.20130E+01 ppm1 8.794 ppm2 1.759
ASSI { 9226}
(segid " " and resid "145 " and name "HN ")
(segid " " and resid "145 " and name "HB2 ")
5.000 5.000 0.000 peak 9226 weight 0.10000E+01 volume 0.13440E+01 ppm1 8.796 ppm2 1.399
ASSI { 9227}
(segid " " and resid "145 " and name "HN ")
(segid " " and resid "145 " and name "HG ")
5.000 5.000 0.000 peak 9227 weight 0.10000E+01 volume 0.54700E+00 ppm1 8.796 ppm2 1.524
ASSI { 9228}
(segid " " and resid "145 " and name "HN ")
(segid " " and resid "146 " and name "HN ")
5.000 5.000 0.000 peak 9228 weight 0.10000E+01 volume 0.62100E+00 ppm1 8.799 ppm2 7.652
ASSI { 9234}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "145 " and name "HB1 ")
5.000 5.000 0.000 peak 9234 weight 0.10000E+01 volume 0.46600E+00 ppm1 7.642 ppm2 1.741
ASSI { 9235}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "145 " and name "HB2 ")
5.000 5.000 0.000 peak 9235 weight 0.10000E+01 volume 0.39800E+00 ppm1 7.644 ppm2 1.390
ASSI { 9236}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "145 " and name "HD23")
6.000 6.000 0.000 peak 9236 weight 0.10000E+01 volume 0.23200E+00 ppm1 7.643 ppm2 1.015
OR { 9236}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "145 " and name "HD21")
OR { 9236}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "145 " and name "HD22")
ASSI { 9237}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "145 " and name "HG ")
5.000 5.000 0.000 peak 9237 weight 0.10000E+01 volume 0.37600E+00 ppm1 7.645 ppm2 1.523
ASSI { 9238}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "146 " and name "HA ")
5.000 5.000 0.000 peak 9238 weight 0.10000E+01 volume 0.75100E+00 ppm1 7.642 ppm2 3.985
ASSI { 9239}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "146 " and name "HB2 ")
3.300 3.300 0.000 peak 9239 weight 0.10000E+01 volume 0.17150E+01 ppm1 7.643 ppm2 2.135
OR { 9239}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "146 " and name "HB1 ")
ASSI { 9240}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "146 " and name "HG1 ")
5.000 5.000 0.000 peak 9240 weight 0.10000E+01 volume 0.13270E+01 ppm1 7.644 ppm2 2.425
ASSI { 9241}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "146 " and name "HG2 ")
5.000 5.000 0.000 peak 9241 weight 0.10000E+01 volume 0.13250E+01 ppm1 7.646 ppm2 2.345
ASSI { 9242}
(segid " " and resid "146 " and name "HN ")
(segid " " and resid "147 " and name "HN ")
3.300 3.300 0.000 peak 9242 weight 0.10000E+01 volume 0.15710E+01 ppm1 7.646 ppm2 8.763
ASSI { 9247}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "144 " and name "HA ")
5.000 5.000 0.000 peak 9247 weight 0.10000E+01 volume 0.62500E+00 ppm1 8.750 ppm2 3.679
ASSI { 9248}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "146 " and name "HA ")
5.000 5.000 0.000 peak 9248 weight 0.10000E+01 volume 0.44700E+00 ppm1 8.759 ppm2 3.983
ASSI { 9249}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "146 " and name "HB1 ")
3.300 3.300 0.000 peak 9249 weight 0.10000E+01 volume 0.24280E+01 ppm1 8.755 ppm2 2.139
OR { 9249}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "146 " and name "HB2 ")
ASSI { 9251}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "147 " and name "HA ")
5.000 5.000 0.000 peak 9251 weight 0.10000E+01 volume 0.67000E+00 ppm1 8.754 ppm2 4.208
ASSI { 9252}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "147 " and name "HD13")
5.000 5.000 0.000 peak 9252 weight 0.10000E+01 volume 0.77700E+00 ppm1 8.757 ppm2 1.176
OR { 9252}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "147 " and name "HD11")
OR { 9252}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "147 " and name "HD12")
ASSI { 9253}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "147 " and name "HD23")
5.000 5.000 0.000 peak 9253 weight 0.10000E+01 volume 0.38300E+00 ppm1 8.753 ppm2 1.039
OR { 9253}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "147 " and name "HD22")
OR { 9253}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "147 " and name "HD21")
ASSI { 9254}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "148 " and name "HN ")
5.000 5.000 0.000 peak 9254 weight 0.10000E+01 volume 0.78700E+00 ppm1 8.756 ppm2 8.275
ASSI { 9262}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "145 " and name "HA ")
5.000 5.000 0.000 peak 9262 weight 0.10000E+01 volume 0.42900E+00 ppm1 8.276 ppm2 3.934
ASSI { 9263}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HA ")
5.000 5.000 0.000 peak 9263 weight 0.10000E+01 volume 0.51200E+00 ppm1 8.276 ppm2 4.214
ASSI { 9264}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HB1 ")
3.300 3.300 0.000 peak 9264 weight 0.10000E+01 volume 0.16550E+01 ppm1 8.278 ppm2 2.134
ASSI { 9265}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HB2 ")
5.000 5.000 0.000 peak 9265 weight 0.10000E+01 volume 0.14170E+01 ppm1 8.278 ppm2 1.546
ASSI { 9266}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HD11")
5.000 5.000 0.000 peak 9266 weight 0.10000E+01 volume 0.32500E+00 ppm1 8.275 ppm2 1.192
OR { 9266}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HD12")
OR { 9266}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HD13")
ASSI { 9267}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HD22")
5.000 5.000 0.000 peak 9267 weight 0.10000E+01 volume 0.69400E+00 ppm1 8.281 ppm2 1.024
OR { 9267}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HD23")
OR { 9267}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "147 " and name "HD21")
ASSI { 9269}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "148 " and name "HA ")
5.000 5.000 0.000 peak 9269 weight 0.10000E+01 volume 0.94800E+00 ppm1 8.274 ppm2 3.744
ASSI { 9270}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "148 " and name "HB2 ")
2.700 2.700 0.000 peak 9270 weight 0.10000E+01 volume 0.30150E+01 ppm1 8.277 ppm2 1.432
OR { 9270}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "148 " and name "HB1 ")
OR { 9270}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "148 " and name "HB3 ")
ASSI { 9271}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "149 " and name "HN ")
5.000 5.000 0.000 peak 9271 weight 0.10000E+01 volume 0.11840E+01 ppm1 8.279 ppm2 8.560
ASSI { 9275}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "146 " and name "HA ")
5.000 5.000 0.000 peak 9275 weight 0.10000E+01 volume 0.47000E+00 ppm1 8.557 ppm2 3.986
ASSI { 9276}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "148 " and name "HA ")
6.000 6.000 0.000 peak 9276 weight 0.10000E+01 volume 0.22700E+00 ppm1 8.557 ppm2 3.734
ASSI { 9277}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "148 " and name "HB1 ")
5.000 5.000 0.000 peak 9277 weight 0.10000E+01 volume 0.12610E+01 ppm1 8.557 ppm2 1.427
OR { 9277}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "148 " and name "HB2 ")
OR { 9277}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "148 " and name "HB3 ")
ASSI { 9279}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "149 " and name "HA ")
5.000 5.000 0.000 peak 9279 weight 0.10000E+01 volume 0.92800E+00 ppm1 8.557 ppm2 4.337
ASSI { 9280}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "149 " and name "HB1 ")
3.300 3.300 0.000 peak 9280 weight 0.10000E+01 volume 0.20790E+01 ppm1 8.558 ppm2 1.978
ASSI { 9281}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "149 " and name "HB2 ")
3.300 3.300 0.000 peak 9281 weight 0.10000E+01 volume 0.22280E+01 ppm1 8.558 ppm2 1.869
ASSI { 9282}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "149 " and name "HG1 ")
5.000 5.000 0.000 peak 9282 weight 0.10000E+01 volume 0.12100E+01 ppm1 8.556 ppm2 1.765
ASSI { 9283}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "149 " and name "HG2 ")
5.000 5.000 0.000 peak 9283 weight 0.10000E+01 volume 0.44000E+00 ppm1 8.558 ppm2 1.577
ASSI { 9284}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "150 " and name "HN ")
2.700 2.700 0.000 peak 9284 weight 0.10000E+01 volume 0.51390E+01 ppm1 8.558 ppm2 8.436
ASSI { 9288}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "147 " and name "HA ")
5.000 5.000 0.000 peak 9288 weight 0.10000E+01 volume 0.38900E+00 ppm1 8.432 ppm2 4.194
ASSI { 9289}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "149 " and name "HA ")
5.000 5.000 0.000 peak 9289 weight 0.10000E+01 volume 0.43700E+00 ppm1 8.437 ppm2 4.325
ASSI { 9290}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "149 " and name "HB1 ")
5.000 5.000 0.000 peak 9290 weight 0.10000E+01 volume 0.12040E+01 ppm1 8.434 ppm2 1.978
ASSI { 9291}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "149 " and name "HB2 ")
5.000 5.000 0.000 peak 9291 weight 0.10000E+01 volume 0.98900E+00 ppm1 8.438 ppm2 1.873
ASSI { 9292}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "149 " and name "HG1 ")
5.000 5.000 0.000 peak 9292 weight 0.10000E+01 volume 0.45100E+00 ppm1 8.433 ppm2 1.761
ASSI { 9293}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "149 " and name "HG2 ")
6.000 6.000 0.000 peak 9293 weight 0.10000E+01 volume 0.18100E+00 ppm1 8.423 ppm2 1.582
ASSI { 9295}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "150 " and name "HA ")
5.000 5.000 0.000 peak 9295 weight 0.10000E+01 volume 0.14200E+01 ppm1 8.435 ppm2 4.055
ASSI { 9296}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "150 " and name "HB1 ")
3.300 3.300 0.000 peak 9296 weight 0.10000E+01 volume 0.18530E+01 ppm1 8.432 ppm2 2.395
ASSI { 9297}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "150 " and name "HB2 ")
3.300 3.300 0.000 peak 9297 weight 0.10000E+01 volume 0.18840E+01 ppm1 8.434 ppm2 2.227
ASSI { 9298}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "150 " and name "HG1 ")
5.000 5.000 0.000 peak 9298 weight 0.10000E+01 volume 0.42500E+00 ppm1 8.433 ppm2 2.559
ASSI { 9299}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "151 " and name "HN ")
5.000 5.000 0.000 peak 9299 weight 0.10000E+01 volume 0.10810E+01 ppm1 8.433 ppm2 7.798
ASSI { 9309}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "148 " and name "HA ")
6.000 6.000 0.000 peak 9309 weight 0.10000E+01 volume 0.17200E+00 ppm1 7.797 ppm2 3.745
ASSI { 9310}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "150 " and name "HA ")
5.000 5.000 0.000 peak 9310 weight 0.10000E+01 volume 0.46500E+00 ppm1 7.796 ppm2 4.058
ASSI { 9311}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "150 " and name "HB1 ")
5.000 5.000 0.000 peak 9311 weight 0.10000E+01 volume 0.14030E+01 ppm1 7.798 ppm2 2.389
ASSI { 9312}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "150 " and name "HB2 ")
5.000 5.000 0.000 peak 9312 weight 0.10000E+01 volume 0.14000E+01 ppm1 7.799 ppm2 2.208
ASSI { 9314}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "151 " and name "HA ")
5.000 5.000 0.000 peak 9314 weight 0.10000E+01 volume 0.11430E+01 ppm1 7.795 ppm2 4.297
ASSI { 9315}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "151 " and name "HB1 ")
5.000 5.000 0.000 peak 9315 weight 0.10000E+01 volume 0.13850E+01 ppm1 7.797 ppm2 2.157
ASSI { 9316}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "151 " and name "HB2 ")
2.700 2.700 0.000 peak 9316 weight 0.10000E+01 volume 0.36790E+01 ppm1 7.797 ppm2 1.794
ASSI { 9317}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "152 " and name "HN ")
5.000 5.000 0.000 peak 9317 weight 0.10000E+01 volume 0.12870E+01 ppm1 7.797 ppm2 7.987
ASSI { 9324}
(segid " " and resid "152 " and name "HN ")
(segid " " and resid "151 " and name "HA ")
5.000 5.000 0.000 peak 9324 weight 0.10000E+01 volume 0.83400E+00 ppm1 7.996 ppm2 4.308
ASSI { 9325}
(segid " " and resid "152 " and name "HN ")
(segid " " and resid "152 " and name "HA1 ")
3.300 3.300 0.000 peak 9325 weight 0.10000E+01 volume 0.22910E+01 ppm1 7.993 ppm2 4.040
ASSI { 9326}
(segid " " and resid "152 " and name "HN ")
(segid " " and resid "152 " and name "HA2 ")
3.300 3.300 0.000 peak 9326 weight 0.10000E+01 volume 0.28500E+01 ppm1 7.994 ppm2 3.868
ASSI { 9327}
(segid " " and resid "152 " and name "HN ")
(segid " " and resid "153 " and name "HN ")
3.300 3.300 0.000 peak 9327 weight 0.10000E+01 volume 0.28480E+01 ppm1 7.996 ppm2 7.818
ASSI { 9331}
(segid " " and resid "153 " and name "HN ")
(segid " " and resid "152 " and name "HA1 ")
3.300 3.300 0.000 peak 9331 weight 0.10000E+01 volume 0.17970E+01 ppm1 7.839 ppm2 4.034
ASSI { 9332}
(segid " " and resid "153 " and name "HN ")
(segid " " and resid "152 " and name "HA2 ")
5.000 5.000 0.000 peak 9332 weight 0.10000E+01 volume 0.69500E+00 ppm1 7.839 ppm2 3.866
ASSI { 9334}
(segid " " and resid "153 " and name "HN ")
(segid " " and resid "153 " and name "HB3 ")
2.700 2.700 0.000 peak 9334 weight 0.10000E+01 volume 0.58040E+01 ppm1 7.834 ppm2 1.368
OR { 9334}
(segid " " and resid "153 " and name "HN ")
(segid " " and resid "153 " and name "HB2 ")
OR { 9334}
(segid " " and resid "153 " and name "HN ")
(segid " " and resid "153 " and name "HB1 ")
ASSI { 9339}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HA ")
5.000 5.000 0.000 peak 9339 weight 0.10000E+01 volume 0.35900E+00 ppm1 7.132 ppm2 4.146
ASSI { 9340}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HB1 ")
5.000 5.000 0.000 peak 9340 weight 0.10000E+01 volume 0.85500E+00 ppm1 7.136 ppm2 2.079
ASSI { 9341}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HB2 ")
5.000 5.000 0.000 peak 9341 weight 0.10000E+01 volume 0.45500E+00 ppm1 7.136 ppm2 1.149
ASSI { 9342}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HD11")
5.000 5.000 0.000 peak 9342 weight 0.10000E+01 volume 0.56500E+00 ppm1 7.135 ppm2 0.993
OR { 9342}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HD12")
OR { 9342}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HD13")
ASSI { 9343}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HD22")
5.000 5.000 0.000 peak 9343 weight 0.10000E+01 volume 0.59500E+00 ppm1 7.135 ppm2 0.724
OR { 9343}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HD23")
OR { 9343}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HD21")
ASSI { 9344}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "156 " and name "HG ")
3.300 3.300 0.000 peak 9344 weight 0.10000E+01 volume 0.21460E+01 ppm1 7.137 ppm2 1.880
ASSI { 9351}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "156 " and name "HA ")
5.000 5.000 0.000 peak 9351 weight 0.10000E+01 volume 0.98300E+00 ppm1 8.177 ppm2 4.146
ASSI { 9352}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "156 " and name "HB1 ")
5.000 5.000 0.000 peak 9352 weight 0.10000E+01 volume 0.12420E+01 ppm1 8.173 ppm2 2.066
ASSI { 9353}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "156 " and name "HB2 ")
5.000 5.000 0.000 peak 9353 weight 0.10000E+01 volume 0.39500E+00 ppm1 8.178 ppm2 1.167
ASSI { 9354}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "156 " and name "HD11")
5.000 5.000 0.000 peak 9354 weight 0.10000E+01 volume 0.38200E+00 ppm1 8.180 ppm2 0.993
OR { 9354}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "156 " and name "HD12")
OR { 9354}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "156 " and name "HD13")
ASSI { 9356}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "157 " and name "HA ")
5.000 5.000 0.000 peak 9356 weight 0.10000E+01 volume 0.92600E+00 ppm1 8.176 ppm2 3.710
ASSI { 9357}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "157 " and name "HB1 ")
3.300 3.300 0.000 peak 9357 weight 0.10000E+01 volume 0.28970E+01 ppm1 8.173 ppm2 2.287
ASSI { 9358}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "157 " and name "HB2 ")
3.300 3.300 0.000 peak 9358 weight 0.10000E+01 volume 0.16490E+01 ppm1 8.173 ppm2 2.167
ASSI { 9359}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "157 " and name "HG1 ")
2.700 2.700 0.000 peak 9359 weight 0.10000E+01 volume 0.30340E+01 ppm1 8.173 ppm2 2.339
OR { 9359}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "157 " and name "HG2 ")
ASSI { 9366}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "155 " and name "HA ")
5.000 5.000 0.000 peak 9366 weight 0.10000E+01 volume 0.35600E+00 ppm1 8.301 ppm2 4.487
ASSI { 9368}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "157 " and name "HA ")
6.000 6.000 0.000 peak 9368 weight 0.10000E+01 volume 0.23800E+00 ppm1 8.300 ppm2 3.728
ASSI { 9369}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "157 " and name "HB2 ")
5.000 5.000 0.000 peak 9369 weight 0.10000E+01 volume 0.11300E+01 ppm1 8.306 ppm2 2.165
ASSI { 9371}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "158 " and name "HA ")
5.000 5.000 0.000 peak 9371 weight 0.10000E+01 volume 0.11900E+01 ppm1 8.302 ppm2 4.348
ASSI { 9372}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "158 " and name "HB1 ")
3.300 3.300 0.000 peak 9372 weight 0.10000E+01 volume 0.16160E+01 ppm1 8.303 ppm2 2.796
ASSI { 9373}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "158 " and name "HB2 ")
5.000 5.000 0.000 peak 9373 weight 0.10000E+01 volume 0.12710E+01 ppm1 8.300 ppm2 2.675
ASSI { 9374}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "159 " and name "HN ")
5.000 5.000 0.000 peak 9374 weight 0.10000E+01 volume 0.88600E+00 ppm1 8.299 ppm2 7.375
ASSI { 9377}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "156 " and name "HA ")
5.000 5.000 0.000 peak 9377 weight 0.10000E+01 volume 0.53100E+00 ppm1 7.385 ppm2 4.155
ASSI { 9378}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "158 " and name "HB1 ")
5.000 5.000 0.000 peak 9378 weight 0.10000E+01 volume 0.68900E+00 ppm1 7.386 ppm2 2.793
ASSI { 9379}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "158 " and name "HB2 ")
5.000 5.000 0.000 peak 9379 weight 0.10000E+01 volume 0.60200E+00 ppm1 7.372 ppm2 2.687
ASSI { 9381}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HA ")
5.000 5.000 0.000 peak 9381 weight 0.10000E+01 volume 0.10030E+01 ppm1 7.377 ppm2 3.764
ASSI { 9382}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HB ")
3.300 3.300 0.000 peak 9382 weight 0.10000E+01 volume 0.29120E+01 ppm1 7.380 ppm2 1.864
ASSI { 9383}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HD12")
3.300 3.300 0.000 peak 9383 weight 0.10000E+01 volume 0.17060E+01 ppm1 7.380 ppm2 0.920
OR { 9383}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HD13")
OR { 9383}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HD11")
ASSI { 9384}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HG11")
3.300 3.300 0.000 peak 9384 weight 0.10000E+01 volume 0.25050E+01 ppm1 7.377 ppm2 1.940
ASSI { 9385}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HG12")
5.000 5.000 0.000 peak 9385 weight 0.10000E+01 volume 0.81600E+00 ppm1 7.379 ppm2 1.143
ASSI { 9386}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HG23")
3.300 3.300 0.000 peak 9386 weight 0.10000E+01 volume 0.15650E+01 ppm1 7.380 ppm2 0.898
OR { 9386}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HG22")
OR { 9386}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "159 " and name "HG21")
ASSI { 9387}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "160 " and name "HN ")
5.000 5.000 0.000 peak 9387 weight 0.10000E+01 volume 0.77900E+00 ppm1 7.380 ppm2 7.951
ASSI { 9389}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HA ")
5.000 5.000 0.000 peak 9389 weight 0.10000E+01 volume 0.11800E+01 ppm1 7.941 ppm2 3.882
ASSI { 9390}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HD13")
5.000 5.000 0.000 peak 9390 weight 0.10000E+01 volume 0.62400E+00 ppm1 7.941 ppm2 0.626
OR { 9390}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HD11")
OR { 9390}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HD12")
ASSI { 9391}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HD23")
5.000 5.000 0.000 peak 9391 weight 0.10000E+01 volume 0.77900E+00 ppm1 7.945 ppm2 0.749
OR { 9391}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HD22")
OR { 9391}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HD21")
ASSI { 9392}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "160 " and name "HG ")
3.300 3.300 0.000 peak 9392 weight 0.10000E+01 volume 0.28580E+01 ppm1 7.943 ppm2 1.771
ASSI { 9397}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "158 " and name "HA ")
6.000 6.000 0.000 peak 9397 weight 0.10000E+01 volume 0.18200E+00 ppm1 8.767 ppm2 4.353
ASSI { 9398}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HA ")
5.000 5.000 0.000 peak 9398 weight 0.10000E+01 volume 0.39200E+00 ppm1 8.756 ppm2 3.898
ASSI { 9399}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HB1 ")
5.000 5.000 0.000 peak 9399 weight 0.10000E+01 volume 0.93700E+00 ppm1 8.760 ppm2 1.943
ASSI { 9400}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HB2 ")
5.000 5.000 0.000 peak 9400 weight 0.10000E+01 volume 0.47200E+00 ppm1 8.752 ppm2 1.278
ASSI { 9401}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HD11")
6.000 6.000 0.000 peak 9401 weight 0.10000E+01 volume 0.17300E+00 ppm1 8.763 ppm2 0.634
OR { 9401}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HD12")
OR { 9401}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HD13")
ASSI { 9402}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HD21")
6.000 6.000 0.000 peak 9402 weight 0.10000E+01 volume 0.21800E+00 ppm1 8.764 ppm2 0.754
OR { 9402}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HD22")
OR { 9402}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "160 " and name "HD23")
ASSI { 9404}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "161 " and name "HA ")
5.000 5.000 0.000 peak 9404 weight 0.10000E+01 volume 0.97700E+00 ppm1 8.760 ppm2 4.021
ASSI { 9405}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "161 " and name "HB1 ")
3.300 3.300 0.000 peak 9405 weight 0.10000E+01 volume 0.29650E+01 ppm1 8.757 ppm2 2.201
ASSI { 9406}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "161 " and name "HB2 ")
3.300 3.300 0.000 peak 9406 weight 0.10000E+01 volume 0.28680E+01 ppm1 8.756 ppm2 2.124
ASSI { 9407}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "161 " and name "HG1 ")
5.000 5.000 0.000 peak 9407 weight 0.10000E+01 volume 0.65500E+00 ppm1 8.758 ppm2 2.530
ASSI { 9408}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "161 " and name "HG2 ")
5.000 5.000 0.000 peak 9408 weight 0.10000E+01 volume 0.41200E+00 ppm1 8.760 ppm2 2.372
ASSI { 9409}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "162 " and name "HN ")
5.000 5.000 0.000 peak 9409 weight 0.10000E+01 volume 0.72900E+00 ppm1 8.757 ppm2 7.580
ASSI { 9415}
(segid " " and resid "161 " and name "HE21")
(segid " " and resid "161 " and name "HG1 ")
6.000 6.000 0.000 peak 9415 weight 0.10000E+01 volume 0.18700E+00 ppm1 7.190 ppm2 2.527
ASSI { 9416}
(segid " " and resid "161 " and name "HE21")
(segid " " and resid "161 " and name "HG2 ")
6.000 6.000 0.000 peak 9416 weight 0.10000E+01 volume 0.15900E+00 ppm1 7.185 ppm2 2.377
ASSI { 9418}
(segid " " and resid "162 " and name "HN ")
(segid " " and resid "162 " and name "HA1 ")
3.300 3.300 0.000 peak 9418 weight 0.10000E+01 volume -0.27270E+01 ppm1 7.581 ppm2 3.951
ASSI { 9419}
(segid " " and resid "162 " and name "HN ")
(segid " " and resid "163 " and name "HN ")
2.700 2.700 0.000 peak 9419 weight 0.10000E+01 volume -0.44930E+01 ppm1 7.581 ppm2 7.482
ASSI { 9422}
(segid " " and resid "163 " and name "HN ")
(segid " " and resid "162 " and name "HA1 ")
5.000 5.000 0.000 peak 9422 weight 0.10000E+01 volume 0.38300E+00 ppm1 7.472 ppm2 3.961
ASSI { 9423}
(segid " " and resid "163 " and name "HN ")
(segid " " and resid "162 " and name "HA2 ")
5.000 5.000 0.000 peak 9423 weight 0.10000E+01 volume 0.41900E+00 ppm1 7.478 ppm2 3.812
ASSI { 9424}
(segid " " and resid "163 " and name "HN ")
(segid " " and resid "163 " and name "HA ")
5.000 5.000 0.000 peak 9424 weight 0.10000E+01 volume 0.31600E+00 ppm1 7.473 ppm2 4.620
ASSI { 9425}
(segid " " and resid "163 " and name "HN ")
(segid " " and resid "163 " and name "HB1 ")
5.000 5.000 0.000 peak 9425 weight 0.10000E+01 volume 0.42900E+00 ppm1 7.475 ppm2 3.265
ASSI { 9426}
(segid " " and resid "163 " and name "HN ")
(segid " " and resid "163 " and name "HB2 ")
5.000 5.000 0.000 peak 9426 weight 0.10000E+01 volume 0.10770E+01 ppm1 7.474 ppm2 2.722
ASSI { 9427}
(segid " " and resid "163 " and name "HN ")
(segid " " and resid "163 " and name "HD2 ")
6.000 6.000 0.000 peak 9427 weight 0.10000E+01 volume 0.20100E+00 ppm1 7.481 ppm2 7.006
ASSI { 9429}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "161 " and name "HA ")
5.000 5.000 0.000 peak 9429 weight 0.10000E+01 volume 0.32200E+00 ppm1 7.601 ppm2 4.017
ASSI { 9430}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "163 " and name "HA ")
6.000 6.000 0.000 peak 9430 weight 0.10000E+01 volume 0.23000E+00 ppm1 7.604 ppm2 4.636
ASSI { 9431}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "163 " and name "HN ")
5.000 5.000 0.000 peak 9431 weight 0.10000E+01 volume 0.14240E+01 ppm1 7.600 ppm2 7.463
ASSI { 9432}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "164 " and name "HA ")
5.000 5.000 0.000 peak 9432 weight 0.10000E+01 volume 0.66300E+00 ppm1 7.599 ppm2 4.502
ASSI { 9433}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "164 " and name "HB1 ")
5.000 5.000 0.000 peak 9433 weight 0.10000E+01 volume 0.95800E+00 ppm1 7.599 ppm2 2.301
ASSI { 9434}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "164 " and name "HB2 ")
5.000 5.000 0.000 peak 9434 weight 0.10000E+01 volume 0.11000E+01 ppm1 7.600 ppm2 1.945
ASSI { 9435}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "164 " and name "HG1 ")
5.000 5.000 0.000 peak 9435 weight 0.10000E+01 volume 0.89700E+00 ppm1 7.604 ppm2 2.713
ASSI { 9436}
(segid " " and resid "164 " and name "HN ")
(segid " " and resid "164 " and name "HG2 ")
5.000 5.000 0.000 peak 9436 weight 0.10000E+01 volume 0.90600E+00 ppm1 7.601 ppm2 2.354
ASSI { 9438}
(segid " " and resid "166 " and name "HN ")
(segid " " and resid "165 " and name "HA ")
3.300 3.300 0.000 peak 9438 weight 0.10000E+01 volume 0.16860E+01 ppm1 8.104 ppm2 4.493
ASSI { 9439}
(segid " " and resid "166 " and name "HN ")
(segid " " and resid "165 " and name "HB2 ")
5.000 5.000 0.000 peak 9439 weight 0.10000E+01 volume 0.30200E+00 ppm1 8.110 ppm2 2.103
OR { 9439}
(segid " " and resid "166 " and name "HN ")
(segid " " and resid "165 " and name "HB1 ")
ASSI { 9440}
(segid " " and resid "166 " and name "HN ")
(segid " " and resid "166 " and name "HA ")
3.300 3.300 0.000 peak 9440 weight 0.10000E+01 volume 0.16990E+01 ppm1 8.102 ppm2 4.532
ASSI { 9441}
(segid " " and resid "166 " and name "HN ")
(segid " " and resid "166 " and name "HB ")
5.000 5.000 0.000 peak 9441 weight 0.10000E+01 volume 0.62400E+00 ppm1 8.101 ppm2 1.915
ASSI { 9442}
(segid " " and resid "166 " and name "HN ")
(segid " " and resid "166 " and name "HG11")
6.000 6.000 0.000 peak 9442 weight 0.10000E+01 volume 0.20500E+00 ppm1 8.109 ppm2 1.552
ASSI { 9444}
(segid " " and resid "168 " and name "HN ")
(segid " " and resid "167 " and name "HA ")
3.300 3.300 0.000 peak 9444 weight 0.10000E+01 volume 0.29170E+01 ppm1 7.957 ppm2 4.454
ASSI { 9445}
(segid " " and resid "168 " and name "HN ")
(segid " " and resid "168 " and name "HA ")
5.000 5.000 0.000 peak 9445 weight 0.10000E+01 volume 0.35300E+00 ppm1 7.955 ppm2 4.298
ASSI { 9446}
(segid " " and resid "168 " and name "HN ")
(segid " " and resid "168 " and name "HB2 ")
5.000 5.000 0.000 peak 9446 weight 0.10000E+01 volume 0.44000E+00 ppm1 7.958 ppm2 1.970
ASSI { 1087}
(segid " " and resid "8 " and name "HN ")
(segid " " and resid "9 " and name "HN ")
7.000 7.000 0.000 peak 1087 weight 0.10000E+01 volume 0.39000E-01 ppm1 8.312 ppm2 8.581
ASSI { 1092}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "13 " and name "HN ")
7.000 7.000 0.000 peak 1092 weight 0.10000E+01 volume 0.11900E+00 ppm1 8.073 ppm2 7.992
ASSI { 1093}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "14 " and name "HN ")
7.000 7.000 0.000 peak 1093 weight 0.10000E+01 volume 0.17000E+00 ppm1 8.072 ppm2 8.351
ASSI { 1094}
(segid " " and resid "12 " and name "HN ")
(segid " " and resid "42 " and name "HN ")
7.000 7.000 0.000 peak 1094 weight 0.10000E+01 volume 0.60000E-01 ppm1 8.057 ppm2 9.857
ASSI { 1096}
(segid " " and resid "13 " and name "HN ")
(segid " " and resid "14 " and name "HN ")
7.000 7.000 0.000 peak 1096 weight 0.10000E+01 volume 0.23000E+00 ppm1 7.995 ppm2 8.348
ASSI { 1099}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "15 " and name "HN ")
5.000 5.000 0.000 peak 1099 weight 0.10000E+01 volume 0.21650E+01 ppm1 8.341 ppm2 8.247
ASSI { 1100}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "16 " and name "HN ")
5.000 5.000 0.000 peak 1100 weight 0.10000E+01 volume 0.52400E+00 ppm1 8.341 ppm2 8.339
ASSI { 1101}
(segid " " and resid "14 " and name "HN ")
(segid " " and resid "17 " and name "HN ")
5.000 5.000 0.000 peak 1101 weight 0.10000E+01 volume 0.33500E+00 ppm1 8.348 ppm2 7.619
ASSI { 1105}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "17 " and name "HN ")
7.000 7.000 0.000 peak 1105 weight 0.10000E+01 volume 0.20300E+00 ppm1 8.244 ppm2 7.616
ASSI { 1106}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "18 " and name "HN ")
7.000 7.000 0.000 peak 1106 weight 0.10000E+01 volume 0.12400E+00 ppm1 8.243 ppm2 8.357
ASSI { 1107}
(segid " " and resid "15 " and name "HN ")
(segid " " and resid "47 " and name "HN ")
7.000 7.000 0.000 peak 1107 weight 0.10000E+01 volume 0.29000E-01 ppm1 8.220 ppm2 10.259
ASSI { 1111}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "18 " and name "HN ")
5.000 5.000 0.000 peak 1111 weight 0.10000E+01 volume 0.44400E+00 ppm1 8.339 ppm2 8.356
ASSI { 1112}
(segid " " and resid "16 " and name "HN ")
(segid " " and resid "19 " and name "HN ")
7.000 7.000 0.000 peak 1112 weight 0.10000E+01 volume 0.16600E+00 ppm1 8.326 ppm2 8.969
ASSI { 1117}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "19 " and name "HN ")
5.000 5.000 0.000 peak 1117 weight 0.10000E+01 volume 0.49600E+00 ppm1 7.616 ppm2 8.965
ASSI { 1118}
(segid " " and resid "17 " and name "HN ")
(segid " " and resid "20 " and name "HN ")
7.000 7.000 0.000 peak 1118 weight 0.10000E+01 volume 0.10500E+00 ppm1 7.618 ppm2 7.413
ASSI { 1123}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "20 " and name "HN ")
5.000 5.000 0.000 peak 1123 weight 0.10000E+01 volume 0.37400E+00 ppm1 8.351 ppm2 7.413
ASSI { 1124}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "21 " and name "HN ")
7.000 7.000 0.000 peak 1124 weight 0.10000E+01 volume 0.14000E+00 ppm1 8.357 ppm2 7.900
ASSI { 1125}
(segid " " and resid "18 " and name "HN ")
(segid " " and resid "52 " and name "HN ")
7.000 7.000 0.000 peak 1125 weight 0.10000E+01 volume 0.81000E-01 ppm1 8.366 ppm2 7.139
ASSI { 1130}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "21 " and name "HN ")
5.000 5.000 0.000 peak 1130 weight 0.10000E+01 volume 0.44800E+00 ppm1 8.970 ppm2 7.900
ASSI { 1131}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "22 " and name "HN ")
7.000 7.000 0.000 peak 1131 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.977 ppm2 8.160
ASSI { 1132}
(segid " " and resid "19 " and name "HN ")
(segid " " and resid "52 " and name "HN ")
7.000 7.000 0.000 peak 1132 weight 0.10000E+01 volume 0.11900E+00 ppm1 8.960 ppm2 7.143
ASSI { 1137}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "22 " and name "HN ")
5.000 5.000 0.000 peak 1137 weight 0.10000E+01 volume 0.89400E+00 ppm1 7.410 ppm2 8.154
ASSI { 1138}
(segid " " and resid "20 " and name "HN ")
(segid " " and resid "52 " and name "HN ")
7.000 7.000 0.000 peak 1138 weight 0.10000E+01 volume 0.19600E+00 ppm1 7.413 ppm2 7.145
ASSI { 1143}
(segid " " and resid "21 " and name "HN ")
(segid " " and resid "52 " and name "HN ")
5.000 5.000 0.000 peak 1143 weight 0.10000E+01 volume 0.49600E+00 ppm1 7.900 ppm2 7.138
ASSI { 1147}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "23 " and name "HN ")
5.000 5.000 0.000 peak 1147 weight 0.10000E+01 volume 0.40400E+00 ppm1 8.158 ppm2 7.866
ASSI { 1148}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "24 " and name "HN ")
5.000 5.000 0.000 peak 1148 weight 0.10000E+01 volume 0.58000E+00 ppm1 8.149 ppm2 8.438
ASSI { 1149}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "25 " and name "HN ")
5.000 5.000 0.000 peak 1149 weight 0.10000E+01 volume 0.15000E+01 ppm1 8.135 ppm2 7.750
ASSI { 1150}
(segid " " and resid "22 " and name "HN ")
(segid " " and resid "52 " and name "HN ")
7.000 7.000 0.000 peak 1150 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.154 ppm2 7.137
ASSI { 1153}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "25 " and name "HN ")
5.000 5.000 0.000 peak 1153 weight 0.10000E+01 volume 0.61900E+00 ppm1 7.871 ppm2 7.751
ASSI { 1154}
(segid " " and resid "23 " and name "HN ")
(segid " " and resid "26 " and name "HN ")
5.000 5.000 0.000 peak 1154 weight 0.10000E+01 volume 0.48600E+00 ppm1 7.871 ppm2 8.139
ASSI { 1158}
(segid " " and resid "24 " and name "HN ")
(segid " " and resid "26 " and name "HN ")
5.000 5.000 0.000 peak 1158 weight 0.10000E+01 volume 0.63500E+00 ppm1 8.439 ppm2 8.122
ASSI { 1163}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "27 " and name "HN ")
5.000 5.000 0.000 peak 1163 weight 0.10000E+01 volume 0.39400E+00 ppm1 7.754 ppm2 8.399
ASSI { 1164}
(segid " " and resid "25 " and name "HN ")
(segid " " and resid "28 " and name "HN ")
5.000 5.000 0.000 peak 1164 weight 0.10000E+01 volume 0.21720E+01 ppm1 7.752 ppm2 8.130
ASSI { 1168}
(segid " " and resid "26 " and name "HN ")
(segid " " and resid "27 " and name "HN ")
3.000 3.000 0.000 peak 1168 weight 0.10000E+01 volume 0.39200E+01 ppm1 8.113 ppm2 8.404
ASSI { 1172}
(segid " " and resid "27 " and name "HN ")
(segid " " and resid "28 " and name "HN ")
3.000 3.000 0.000 peak 1172 weight 0.10000E+01 volume 0.42560E+01 ppm1 8.397 ppm2 8.131
ASSI { 1176}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "30 " and name "HN ")
5.000 5.000 0.000 peak 1176 weight 0.10000E+01 volume 0.43300E+00 ppm1 8.132 ppm2 8.141
ASSI { 1177}
(segid " " and resid "28 " and name "HN ")
(segid " " and resid "31 " and name "HN ")
7.000 7.000 0.000 peak 1177 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.140 ppm2 8.744
ASSI { 1181}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "31 " and name "HN ")
7.000 7.000 0.000 peak 1181 weight 0.10000E+01 volume 0.25800E+00 ppm1 8.576 ppm2 8.744
ASSI { 1182}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "32 " and name "HN ")
5.000 5.000 0.000 peak 1182 weight 0.10000E+01 volume 0.55000E+00 ppm1 8.578 ppm2 8.403
ASSI { 1183}
(segid " " and resid "29 " and name "HN ")
(segid " " and resid "33 " and name "HN ")
5.000 5.000 0.000 peak 1183 weight 0.10000E+01 volume 0.43500E+00 ppm1 8.580 ppm2 7.556
ASSI { 1188}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "32 " and name "HN ")
5.000 5.000 0.000 peak 1188 weight 0.10000E+01 volume 0.50200E+00 ppm1 8.141 ppm2 8.403
ASSI { 1189}
(segid " " and resid "30 " and name "HN ")
(segid " " and resid "33 " and name "HN ")
7.000 7.000 0.000 peak 1189 weight 0.10000E+01 volume 0.24700E+00 ppm1 8.136 ppm2 7.549
ASSI { 1194}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "33 " and name "HN ")
5.000 5.000 0.000 peak 1194 weight 0.10000E+01 volume 0.60200E+00 ppm1 8.743 ppm2 7.556
ASSI { 1195}
(segid " " and resid "31 " and name "HN ")
(segid " " and resid "34 " and name "HN ")
7.000 7.000 0.000 peak 1195 weight 0.10000E+01 volume 0.14000E+00 ppm1 8.743 ppm2 6.805
ASSI { 1200}
(segid " " and resid "32 " and name "HN ")
(segid " " and resid "34 " and name "HN ")
5.000 5.000 0.000 peak 1200 weight 0.10000E+01 volume 0.48100E+00 ppm1 8.403 ppm2 6.805
ASSI { 1213}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "32 " and name "HN ")
5.000 5.000 0.000 peak 1213 weight 0.10000E+01 volume 0.30200E+00 ppm1 7.973 ppm2 8.404
ASSI { 1215}
(segid " " and resid "35 " and name "HN ")
(segid " " and resid "36 " and name "HN ")
7.000 7.000 0.000 peak 1215 weight 0.10000E+01 volume -0.19100E+00 ppm1 7.966 ppm2 8.798
ASSI { 1217}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "38 " and name "HN ")
7.000 7.000 0.000 peak 1217 weight 0.10000E+01 volume -0.52000E-01 ppm1 8.794 ppm2 10.205
ASSI { 1218}
(segid " " and resid "36 " and name "HN ")
(segid " " and resid "39 " and name "HN ")
7.000 7.000 0.000 peak 1218 weight 0.10000E+01 volume -0.15000E+00 ppm1 8.797 ppm2 7.869
ASSI { 1220}
(segid " " and resid "38 " and name "HN ")
(segid " " and resid "40 " and name "HN ")
7.000 7.000 0.000 peak 1220 weight 0.10000E+01 volume 0.44000E-01 ppm1 10.209 ppm2 8.297
ASSI { 1223}
(segid " " and resid "39 " and name "HN ")
(segid " " and resid "40 " and name "HN ")
7.000 7.000 0.000 peak 1223 weight 0.10000E+01 volume 0.20400E+00 ppm1 7.859 ppm2 8.298
ASSI { 1229}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HD21")
7.000 7.000 0.000 peak 1229 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.836 ppm2 7.932
ASSI { 1230}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "41 " and name "HD22")
7.000 7.000 0.000 peak 1230 weight 0.10000E+01 volume 0.17300E+00 ppm1 8.840 ppm2 5.884
ASSI { 1231}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "42 " and name "HN ")
7.000 7.000 0.000 peak 1231 weight 0.10000E+01 volume 0.18200E+00 ppm1 8.848 ppm2 9.844
ASSI { 1232}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "43 " and name "HN ")
5.000 5.000 0.000 peak 1232 weight 0.10000E+01 volume 0.35400E+00 ppm1 8.848 ppm2 7.931
ASSI { 1233}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "44 " and name "HN ")
5.000 5.000 0.000 peak 1233 weight 0.10000E+01 volume 0.45000E+00 ppm1 8.847 ppm2 8.487
ASSI { 1234}
(segid " " and resid "41 " and name "HN ")
(segid " " and resid "46 " and name "HN ")
7.000 7.000 0.000 peak 1234 weight 0.10000E+01 volume 0.11700E+00 ppm1 8.844 ppm2 9.219
ASSI { 1238}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "44 " and name "HN ")
5.000 5.000 0.000 peak 1238 weight 0.10000E+01 volume 0.45900E+00 ppm1 9.844 ppm2 8.487
ASSI { 1239}
(segid " " and resid "42 " and name "HN ")
(segid " " and resid "45 " and name "HN ")
7.000 7.000 0.000 peak 1239 weight 0.10000E+01 volume 0.15500E+00 ppm1 9.847 ppm2 7.451
ASSI { 1240}
(segid " " and resid "43 " and name "HN ")
(segid " " and resid "41 " and name "HD22")
7.000 7.000 0.000 peak 1240 weight 0.10000E+01 volume 0.88000E-01 ppm1 7.909 ppm2 5.884
ASSI { 1250}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "41 " and name "HD21")
7.000 7.000 0.000 peak 1250 weight 0.10000E+01 volume 0.96000E-01 ppm1 7.441 ppm2 7.932
ASSI { 1251}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "41 " and name "HD22")
7.000 7.000 0.000 peak 1251 weight 0.10000E+01 volume 0.99000E-01 ppm1 7.444 ppm2 5.884
ASSI { 1255}
(segid " " and resid "45 " and name "HN ")
(segid " " and resid "46 " and name "HN ")
7.000 7.000 0.000 peak 1255 weight 0.10000E+01 volume 0.12600E+00 ppm1 7.451 ppm2 9.206
ASSI { 1258}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "47 " and name "HN ")
7.000 7.000 0.000 peak 1258 weight 0.10000E+01 volume 0.86000E-01 ppm1 9.216 ppm2 10.254
ASSI { 1259}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "48 " and name "HN ")
7.000 7.000 0.000 peak 1259 weight 0.10000E+01 volume 0.12300E+00 ppm1 9.219 ppm2 8.373
ASSI { 1261}
(segid " " and resid "46 " and name "HN ")
(segid " " and resid "50 " and name "HN ")
7.000 7.000 0.000 peak 1261 weight 0.10000E+01 volume 0.45000E-01 ppm1 9.218 ppm2 7.156
ASSI { 1263}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "48 " and name "HN ")
5.000 5.000 0.000 peak 1263 weight 0.10000E+01 volume 0.67600E+00 ppm1 10.252 ppm2 8.373
ASSI { 1264}
(segid " " and resid "47 " and name "HN ")
(segid " " and resid "49 " and name "HN ")
7.000 7.000 0.000 peak 1264 weight 0.10000E+01 volume 0.13200E+00 ppm1 10.255 ppm2 7.377
ASSI { 1269}
(segid " " and resid "48 " and name "HN ")
(segid " " and resid "51 " and name "HN ")
7.000 7.000 0.000 peak 1269 weight 0.10000E+01 volume 0.10800E+00 ppm1 8.365 ppm2 6.843
ASSI { 1270}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "46 " and name "HN ")
5.000 5.000 0.000 peak 1270 weight 0.10000E+01 volume 0.33000E+00 ppm1 7.376 ppm2 9.220
ASSI { 1274}
(segid " " and resid "49 " and name "HN ")
(segid " " and resid "51 " and name "HN ")
5.000 5.000 0.000 peak 1274 weight 0.10000E+01 volume 0.61000E+00 ppm1 7.378 ppm2 6.843
ASSI { 1275}
(segid " " and resid "49 " and name "HE21")
(segid " " and resid "72 " and name "HN ")
7.000 7.000 0.000 peak 1275 weight 0.10000E+01 volume 0.98000E-01 ppm1 8.448 ppm2 8.198
ASSI { 1276}
(segid " " and resid "49 " and name "HE22")
(segid " " and resid "72 " and name "HN ")
7.000 7.000 0.000 peak 1276 weight 0.10000E+01 volume 0.84000E-01 ppm1 6.122 ppm2 8.198
ASSI { 1281}
(segid " " and resid "50 " and name "HN ")
(segid " " and resid "48 " and name "HN ")
5.000 5.000 0.000 peak 1281 weight 0.10000E+01 volume 0.37700E+00 ppm1 7.180 ppm2 8.366
ASSI { 1287}
(segid " " and resid "51 " and name "HN ")
(segid " " and resid "52 " and name "HN ")
7.000 7.000 0.000 peak 1287 weight 0.10000E+01 volume 0.15500E+00 ppm1 6.843 ppm2 7.139
ASSI { 1295}
(segid " " and resid "52 " and name "HN ")
(segid " " and resid "53 " and name "HN ")
7.000 7.000 0.000 peak 1295 weight 0.10000E+01 volume -0.29800E+00 ppm1 7.143 ppm2 8.284
ASSI { 1297}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "54 " and name "HN ")
5.000 5.000 0.000 peak 1297 weight 0.10000E+01 volume 0.33300E+00 ppm1 8.295 ppm2 7.871
ASSI { 1298}
(segid " " and resid "53 " and name "HN ")
(segid " " and resid "55 " and name "HN ")
7.000 7.000 0.000 peak 1298 weight 0.10000E+01 volume -0.13300E+00 ppm1 8.294 ppm2 7.488
ASSI { 1306}
(segid " " and resid "57 " and name "HN ")
(segid " " and resid "60 " and name "HN ")
7.000 7.000 0.000 peak 1306 weight 0.10000E+01 volume 0.53000E-01 ppm1 8.044 ppm2 8.401
ASSI { 1310}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "60 " and name "HN ")
5.000 5.000 0.000 peak 1310 weight 0.10000E+01 volume 0.39600E+00 ppm1 7.801 ppm2 8.382
ASSI { 1311}
(segid " " and resid "58 " and name "HN ")
(segid " " and resid "61 " and name "HN ")
7.000 7.000 0.000 peak 1311 weight 0.10000E+01 volume 0.73000E-01 ppm1 7.805 ppm2 7.634
ASSI { 1312}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "57 " and name "HN ")
5.000 5.000 0.000 peak 1312 weight 0.10000E+01 volume 0.52200E+00 ppm1 7.073 ppm2 8.037
ASSI { 1316}
(segid " " and resid "59 " and name "HN ")
(segid " " and resid "62 " and name "HN ")
7.000 7.000 0.000 peak 1316 weight 0.10000E+01 volume 0.76000E-01 ppm1 7.066 ppm2 7.493
ASSI { 1321}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "62 " and name "HN ")
5.000 5.000 0.000 peak 1321 weight 0.10000E+01 volume 0.81400E+00 ppm1 8.382 ppm2 7.512
ASSI { 1322}
(segid " " and resid "60 " and name "HN ")
(segid " " and resid "63 " and name "HN ")
5.000 5.000 0.000 peak 1322 weight 0.10000E+01 volume 0.56200E+00 ppm1 8.388 ppm2 8.587
ASSI { 1324}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "59 " and name "HN ")
5.000 5.000 0.000 peak 1324 weight 0.10000E+01 volume 0.31900E+00 ppm1 7.632 ppm2 7.062
ASSI { 1327}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "63 " and name "HN ")
5.000 5.000 0.000 peak 1327 weight 0.10000E+01 volume 0.33500E+00 ppm1 7.632 ppm2 8.586
ASSI { 1328}
(segid " " and resid "61 " and name "HN ")
(segid " " and resid "64 " and name "HN ")
7.000 7.000 0.000 peak 1328 weight 0.10000E+01 volume 0.11400E+00 ppm1 7.629 ppm2 8.951
ASSI { 1333}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "64 " and name "HN ")
5.000 5.000 0.000 peak 1333 weight 0.10000E+01 volume 0.31200E+00 ppm1 7.499 ppm2 8.951
ASSI { 1334}
(segid " " and resid "62 " and name "HN ")
(segid " " and resid "65 " and name "HN ")
7.000 7.000 0.000 peak 1334 weight 0.10000E+01 volume 0.10700E+00 ppm1 7.505 ppm2 6.995
ASSI { 1341}
(segid " " and resid "63 " and name "HN ")
(segid " " and resid "65 " and name "HN ")
5.000 5.000 0.000 peak 1341 weight 0.10000E+01 volume 0.40200E+00 ppm1 8.594 ppm2 6.995
ASSI { 1346}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "66 " and name "HN ")
5.000 5.000 0.000 peak 1346 weight 0.10000E+01 volume -0.46900E+00 ppm1 8.950 ppm2 7.597
ASSI { 1347}
(segid " " and resid "64 " and name "HN ")
(segid " " and resid "67 " and name "HN ")
7.000 7.000 0.000 peak 1347 weight 0.10000E+01 volume 0.28700E+00 ppm1 8.950 ppm2 8.019
ASSI { 1352}
(segid " " and resid "65 " and name "HN ")
(segid " " and resid "67 " and name "HN ")
5.000 5.000 0.000 peak 1352 weight 0.10000E+01 volume 0.10370E+01 ppm1 6.994 ppm2 8.019
ASSI { 1355}
(segid " " and resid "66 " and name "HN ")
(segid " " and resid "67 " and name "HN ")
3.000 3.000 0.000 peak 1355 weight 0.10000E+01 volume -0.32290E+01 ppm1 7.597 ppm2 8.021
ASSI { 1363}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "70 " and name "HD22")
7.000 7.000 0.000 peak 1363 weight 0.10000E+01 volume 0.24000E+00 ppm1 7.993 ppm2 6.886
ASSI { 1365}
(segid " " and resid "70 " and name "HN ")
(segid " " and resid "101 " and name "HN ")
7.000 7.000 0.000 peak 1365 weight 0.10000E+01 volume 0.78000E-01 ppm1 8.000 ppm2 8.969
ASSI { 1366}
(segid " " and resid "70 " and name "HD22")
(segid " " and resid "101 " and name "HN ")
5.000 5.000 0.000 peak 1366 weight 0.10000E+01 volume 0.49900E+00 ppm1 6.887 ppm2 8.963
ASSI { 1374}
(segid " " and resid "72 " and name "HN ")
(segid " " and resid "73 " and name "HN ")
7.000 7.000 0.000 peak 1374 weight 0.10000E+01 volume 0.26500E+00 ppm1 8.200 ppm2 7.980
ASSI { 1375}
(segid " " and resid "72 " and name "HE21")
(segid " " and resid "105 " and name "HN ")
7.000 7.000 0.000 peak 1375 weight 0.10000E+01 volume 0.15100E+00 ppm1 7.796 ppm2 8.193
ASSI { 1376}
(segid " " and resid "72 " and name "HE22")
(segid " " and resid "105 " and name "HN ")
7.000 7.000 0.000 peak 1376 weight 0.10000E+01 volume 0.95000E-01 ppm1 6.724 ppm2 8.193
ASSI { 1378}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "49 " and name "HE21")
5.000 5.000 0.000 peak 1378 weight 0.10000E+01 volume 0.37200E+00 ppm1 7.990 ppm2 8.456
ASSI { 1379}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "49 " and name "HE22")
5.000 5.000 0.000 peak 1379 weight 0.10000E+01 volume 0.32400E+00 ppm1 7.987 ppm2 6.117
ASSI { 1381}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "75 " and name "HN ")
7.000 7.000 0.000 peak 1381 weight 0.10000E+01 volume 0.21800E+00 ppm1 7.990 ppm2 8.355
ASSI { 1382}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "76 " and name "HN ")
5.000 5.000 0.000 peak 1382 weight 0.10000E+01 volume 0.60300E+00 ppm1 7.991 ppm2 8.361
ASSI { 1384}
(segid " " and resid "73 " and name "HN ")
(segid " " and resid "78 " and name "HN ")
7.000 7.000 0.000 peak 1384 weight 0.10000E+01 volume -0.52000E-01 ppm1 7.982 ppm2 10.181
ASSI { 1386}
(segid " " and resid "75 " and name "HN ")
(segid " " and resid "76 " and name "HN ")
5.000 5.000 0.000 peak 1386 weight 0.10000E+01 volume 0.15000E+01 ppm1 8.355 ppm2 8.363
ASSI { 1391}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "73 " and name "HN ")
3.000 3.000 0.000 peak 1391 weight 0.10000E+01 volume 0.31220E+01 ppm1 8.148 ppm2 7.992
ASSI { 1394}
(segid " " and resid "77 " and name "HN ")
(segid " " and resid "78 " and name "HN ")
7.000 7.000 0.000 peak 1394 weight 0.10000E+01 volume -0.10100E+00 ppm1 8.164 ppm2 10.194
ASSI { 1397}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "80 " and name "HN ")
7.000 7.000 0.000 peak 1397 weight 0.10000E+01 volume -0.14200E+00 ppm1 10.179 ppm2 8.470
ASSI { 1398}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "81 " and name "HN ")
5.000 5.000 0.000 peak 1398 weight 0.10000E+01 volume -0.37400E+00 ppm1 10.187 ppm2 7.711
ASSI { 1399}
(segid " " and resid "78 " and name "HN ")
(segid " " and resid "82 " and name "HN ")
7.000 7.000 0.000 peak 1399 weight 0.10000E+01 volume -0.12300E+00 ppm1 10.185 ppm2 7.359
ASSI { 1402}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "82 " and name "HN ")
5.000 5.000 0.000 peak 1402 weight 0.10000E+01 volume 0.34200E+00 ppm1 8.466 ppm2 7.377
ASSI { 1403}
(segid " " and resid "80 " and name "HN ")
(segid " " and resid "83 " and name "HN ")
7.000 7.000 0.000 peak 1403 weight 0.10000E+01 volume 0.38000E-01 ppm1 8.472 ppm2 8.758
ASSI { 1409}
(segid " " and resid "81 " and name "HE2 ")
(segid " " and resid "105 " and name "HN ")
7.000 7.000 0.000 peak 1409 weight 0.10000E+01 volume -0.11200E+00 ppm1 11.096 ppm2 8.218
ASSI { 1411}
(segid " " and resid "81 " and name "HE2 ")
(segid " " and resid "110 " and name "HN ")
7.000 7.000 0.000 peak 1411 weight 0.10000E+01 volume -0.12800E+00 ppm1 11.098 ppm2 7.998
ASSI { 1417}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "84 " and name "HN ")
5.000 5.000 0.000 peak 1417 weight 0.10000E+01 volume 0.31800E+00 ppm1 7.382 ppm2 7.848
ASSI { 1418}
(segid " " and resid "82 " and name "HN ")
(segid " " and resid "85 " and name "HN ")
7.000 7.000 0.000 peak 1418 weight 0.10000E+01 volume 0.10000E+00 ppm1 7.376 ppm2 8.632
ASSI { 1422}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "81 " and name "HN ")
5.000 5.000 0.000 peak 1422 weight 0.10000E+01 volume 0.42200E+00 ppm1 8.753 ppm2 7.722
ASSI { 1425}
(segid " " and resid "83 " and name "HN ")
(segid " " and resid "85 " and name "HN ")
5.000 5.000 0.000 peak 1425 weight 0.10000E+01 volume 0.38600E+00 ppm1 8.759 ppm2 8.637
ASSI { 1427}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "81 " and name "HN ")
5.000 5.000 0.000 peak 1427 weight 0.10000E+01 volume 0.44700E+00 ppm1 7.854 ppm2 7.726
ASSI { 1431}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "86 " and name "HN ")
5.000 5.000 0.000 peak 1431 weight 0.10000E+01 volume -0.38900E+00 ppm1 7.845 ppm2 7.652
ASSI { 1432}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "87 " and name "HN ")
7.000 7.000 0.000 peak 1432 weight 0.10000E+01 volume 0.11600E+00 ppm1 7.848 ppm2 7.093
ASSI { 1433}
(segid " " and resid "84 " and name "HN ")
(segid " " and resid "88 " and name "HN ")
7.000 7.000 0.000 peak 1433 weight 0.10000E+01 volume 0.10900E+00 ppm1 7.853 ppm2 7.593
ASSI { 1438}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "87 " and name "HN ")
5.000 5.000 0.000 peak 1438 weight 0.10000E+01 volume 0.43200E+00 ppm1 8.634 ppm2 7.085
ASSI { 1439}
(segid " " and resid "85 " and name "HN ")
(segid " " and resid "88 " and name "HN ")
7.000 7.000 0.000 peak 1439 weight 0.10000E+01 volume 0.10100E+00 ppm1 8.640 ppm2 7.592
ASSI { 1443}
(segid " " and resid "86 " and name "HN ")
(segid " " and resid "88 " and name "HN ")
5.000 5.000 0.000 peak 1443 weight 0.10000E+01 volume -0.32300E+00 ppm1 7.656 ppm2 7.595
ASSI { 1449}
(segid " " and resid "87 " and name "HN ")
(segid " " and resid "89 " and name "HN ")
7.000 7.000 0.000 peak 1449 weight 0.10000E+01 volume 0.10100E+00 ppm1 7.085 ppm2 7.694
ASSI { 1457}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "90 " and name "HN ")
5.000 5.000 0.000 peak 1457 weight 0.10000E+01 volume 0.92500E+00 ppm1 7.693 ppm2 8.684
ASSI { 1458}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "91 " and name "HN ")
7.000 7.000 0.000 peak 1458 weight 0.10000E+01 volume 0.18000E+00 ppm1 7.691 ppm2 7.937
ASSI { 1459}
(segid " " and resid "89 " and name "HN ")
(segid " " and resid "92 " and name "HN ")
7.000 7.000 0.000 peak 1459 weight 0.10000E+01 volume 0.10000E+00 ppm1 7.696 ppm2 8.039
ASSI { 1464}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "90 " and name "HN ")
3.000 3.000 0.000 peak 1464 weight 0.10000E+01 volume 0.35080E+01 ppm1 7.933 ppm2 8.687
ASSI { 1466}
(segid " " and resid "91 " and name "HN ")
(segid " " and resid "93 " and name "HN ")
5.000 5.000 0.000 peak 1466 weight 0.10000E+01 volume 0.72400E+00 ppm1 7.933 ppm2 8.563
ASSI { 1468}
(segid " " and resid "92 " and name "HN ")
(segid " " and resid "90 " and name "HN ")
5.000 5.000 0.000 peak 1468 weight 0.10000E+01 volume 0.62900E+00 ppm1 8.035 ppm2 8.686
ASSI { 1476}
(segid " " and resid "93 " and name "HN ")
(segid " " and resid "96 " and name "HN ")
7.000 7.000 0.000 peak 1476 weight 0.10000E+01 volume 0.43000E-01 ppm1 8.567 ppm2 8.461
ASSI { 1477}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "92 " and name "HN ")
5.000 5.000 0.000 peak 1477 weight 0.10000E+01 volume 0.38900E+00 ppm1 7.378 ppm2 8.046
ASSI { 1480}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "96 " and name "HN ")
7.000 7.000 0.000 peak 1480 weight 0.10000E+01 volume 0.22600E+00 ppm1 7.378 ppm2 8.452
ASSI { 1481}
(segid " " and resid "94 " and name "HN ")
(segid " " and resid "97 " and name "HN ")
7.000 7.000 0.000 peak 1481 weight 0.10000E+01 volume 0.48000E-01 ppm1 7.384 ppm2 8.813
ASSI { 1484}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "93 " and name "HN ")
5.000 5.000 0.000 peak 1484 weight 0.10000E+01 volume 0.34300E+00 ppm1 8.082 ppm2 8.572
ASSI { 1487}
(segid " " and resid "95 " and name "HN ")
(segid " " and resid "97 " and name "HN ")
7.000 7.000 0.000 peak 1487 weight 0.10000E+01 volume 0.28200E+00 ppm1 8.073 ppm2 8.802
ASSI { 1493}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "98 " and name "HN ")
5.000 5.000 0.000 peak 1493 weight 0.10000E+01 volume 0.33400E+00 ppm1 8.457 ppm2 7.461
ASSI { 1494}
(segid " " and resid "96 " and name "HN ")
(segid " " and resid "99 " and name "HN ")
7.000 7.000 0.000 peak 1494 weight 0.10000E+01 volume -0.12700E+00 ppm1 8.451 ppm2 7.646
ASSI { 1499}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "99 " and name "HN ")
7.000 7.000 0.000 peak 1499 weight 0.10000E+01 volume -0.27700E+00 ppm1 8.804 ppm2 7.636
ASSI { 1500}
(segid " " and resid "97 " and name "HN ")
(segid " " and resid "100 " and name "HN ")
7.000 7.000 0.000 peak 1500 weight 0.10000E+01 volume 0.13200E+00 ppm1 8.827 ppm2 8.258
ASSI { 1504}
(segid " " and resid "98 " and name "HN ")
(segid " " and resid "100 " and name "HN ")
5.000 5.000 0.000 peak 1504 weight 0.10000E+01 volume 0.40300E+00 ppm1 7.462 ppm2 8.258
ASSI { 1513}
(segid " " and resid "101 " and name "HN ")
(segid " " and resid "70 " and name "HD21")
5.000 5.000 0.000 peak 1513 weight 0.10000E+01 volume 0.42300E+00 ppm1 8.958 ppm2 7.857
ASSI { 1519}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "101 " and name "HN ")
5.000 5.000 0.000 peak 1519 weight 0.10000E+01 volume 0.32900E+00 ppm1 8.506 ppm2 8.967
ASSI { 1520}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "103 " and name "HN ")
5.000 5.000 0.000 peak 1520 weight 0.10000E+01 volume 0.20640E+01 ppm1 8.517 ppm2 8.544
ASSI { 1521}
(segid " " and resid "102 " and name "HN ")
(segid " " and resid "104 " and name "HN ")
5.000 5.000 0.000 peak 1521 weight 0.10000E+01 volume 0.50300E+00 ppm1 8.523 ppm2 6.325
ASSI { 1533}
(segid " " and resid "105 " and name "HN ")
(segid " " and resid "106 " and name "HN ")
5.000 5.000 0.000 peak 1533 weight 0.10000E+01 volume 0.34100E+00 ppm1 8.236 ppm2 7.655
ASSI { 1536}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "107 " and name "HN ")
5.000 5.000 0.000 peak 1536 weight 0.10000E+01 volume 0.97600E+00 ppm1 7.658 ppm2 8.188
ASSI { 1537}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "108 " and name "HN ")
5.000 5.000 0.000 peak 1537 weight 0.10000E+01 volume 0.38500E+00 ppm1 7.651 ppm2 8.469
ASSI { 1538}
(segid " " and resid "106 " and name "HN ")
(segid " " and resid "109 " and name "HN ")
5.000 5.000 0.000 peak 1538 weight 0.10000E+01 volume 0.76700E+00 ppm1 7.649 ppm2 8.503
ASSI { 1543}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "109 " and name "HN ")
5.000 5.000 0.000 peak 1543 weight 0.10000E+01 volume 0.47000E+00 ppm1 8.192 ppm2 8.503
ASSI { 1544}
(segid " " and resid "107 " and name "HN ")
(segid " " and resid "110 " and name "HN ")
7.000 7.000 0.000 peak 1544 weight 0.10000E+01 volume 0.25000E+00 ppm1 8.183 ppm2 7.999
ASSI { 1547}
(segid " " and resid "108 " and name "HN ")
(segid " " and resid "109 " and name "HN ")
5.000 5.000 0.000 peak 1547 weight 0.10000E+01 volume 0.19390E+01 ppm1 8.469 ppm2 8.503
ASSI { 1561}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "114 " and name "HN ")
5.000 5.000 0.000 peak 1561 weight 0.10000E+01 volume 0.44100E+00 ppm1 9.449 ppm2 7.664
ASSI { 1562}
(segid " " and resid "111 " and name "HN ")
(segid " " and resid "115 " and name "HN ")
7.000 7.000 0.000 peak 1562 weight 0.10000E+01 volume 0.10600E+00 ppm1 9.446 ppm2 7.287
ASSI { 1565}
(segid " " and resid "113 " and name "HN ")
(segid " " and resid "116 " and name "HN ")
7.000 7.000 0.000 peak 1565 weight 0.10000E+01 volume 0.43000E-01 ppm1 8.287 ppm2 7.884
ASSI { 1571}
(segid " " and resid "114 " and name "HE2 ")
(segid " " and resid "138 " and name "HN ")
5.000 5.000 0.000 peak 1571 weight 0.10000E+01 volume 0.95700E+00 ppm1 11.346 ppm2 7.712
ASSI { 1572}
(segid " " and resid "114 " and name "HE2 ")
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7.000 7.000 0.000 peak 1572 weight 0.10000E+01 volume 0.16500E+00 ppm1 11.347 ppm2 8.185
ASSI { 1573}
(segid " " and resid "114 " and name "HE2 ")
(segid " " and resid "143 " and name "HN ")
7.000 7.000 0.000 peak 1573 weight 0.10000E+01 volume 0.10600E+00 ppm1 11.357 ppm2 8.576
ASSI { 1575}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "113 " and name "HN ")
5.000 5.000 0.000 peak 1575 weight 0.10000E+01 volume 0.48800E+00 ppm1 7.295 ppm2 8.284
ASSI { 1579}
(segid " " and resid "115 " and name "HN ")
(segid " " and resid "118 " and name "HN ")
7.000 7.000 0.000 peak 1579 weight 0.10000E+01 volume 0.88000E-01 ppm1 7.301 ppm2 8.114
ASSI { 1581}
(segid " " and resid "116 " and name "HN ")
(segid " " and resid "114 " and name "HN ")
5.000 5.000 0.000 peak 1581 weight 0.10000E+01 volume 0.45700E+00 ppm1 7.892 ppm2 7.668
ASSI { 1584}
(segid " " and resid "116 " and name "HN ")
(segid " " and resid "118 " and name "HN ")
5.000 5.000 0.000 peak 1584 weight 0.10000E+01 volume 0.32100E+00 ppm1 7.887 ppm2 8.109
ASSI { 1585}
(segid " " and resid "116 " and name "HN ")
(segid " " and resid "119 " and name "HN ")
5.000 5.000 0.000 peak 1585 weight 0.10000E+01 volume 0.42400E+00 ppm1 7.895 ppm2 7.323
ASSI { 1586}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "115 " and name "HN ")
5.000 5.000 0.000 peak 1586 weight 0.10000E+01 volume 0.38900E+00 ppm1 7.938 ppm2 7.300
ASSI { 1587}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "116 " and name "HN ")
3.000 3.000 0.000 peak 1587 weight 0.10000E+01 volume 0.51660E+01 ppm1 7.944 ppm2 7.900
ASSI { 1589}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "119 " and name "HN ")
7.000 7.000 0.000 peak 1589 weight 0.10000E+01 volume 0.24300E+00 ppm1 7.939 ppm2 7.323
ASSI { 1590}
(segid " " and resid "117 " and name "HN ")
(segid " " and resid "120 " and name "HN ")
7.000 7.000 0.000 peak 1590 weight 0.10000E+01 volume -0.43000E-01 ppm1 7.940 ppm2 7.488
ASSI { 1595}
(segid " " and resid "118 " and name "HN ")
(segid " " and resid "120 " and name "HN ")
5.000 5.000 0.000 peak 1595 weight 0.10000E+01 volume -0.35100E+00 ppm1 8.115 ppm2 7.478
ASSI { 1600}
(segid " " and resid "119 " and name "HN ")
(segid " " and resid "121 " and name "HN ")
5.000 5.000 0.000 peak 1600 weight 0.10000E+01 volume 0.45400E+00 ppm1 7.318 ppm2 7.857
ASSI { 1604}
(segid " " and resid "120 " and name "HN ")
(segid " " and resid "125 " and name "HN ")
5.000 5.000 0.000 peak 1604 weight 0.10000E+01 volume -0.30400E+00 ppm1 7.478 ppm2 8.102
ASSI { 1610}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "126 " and name "HN ")
5.000 5.000 0.000 peak 1610 weight 0.10000E+01 volume 0.55200E+00 ppm1 7.133 ppm2 8.488
ASSI { 1612}
(segid " " and resid "124 " and name "HN ")
(segid " " and resid "127 " and name "HN ")
7.000 7.000 0.000 peak 1612 weight 0.10000E+01 volume 0.91000E-01 ppm1 7.138 ppm2 7.411
ASSI { 1615}
(segid " " and resid "125 " and name "HN ")
(segid " " and resid "121 " and name "HN ")
5.000 5.000 0.000 peak 1615 weight 0.10000E+01 volume 0.31400E+00 ppm1 8.122 ppm2 7.871
ASSI { 1616}
(segid " " and resid "125 " and name "HN ")
(segid " " and resid "124 " and name "HN ")
3.000 3.000 0.000 peak 1616 weight 0.10000E+01 volume 0.34680E+01 ppm1 8.121 ppm2 7.125
ASSI { 1620}
(segid " " and resid "125 " and name "HN ")
(segid " " and resid "127 " and name "HN ")
5.000 5.000 0.000 peak 1620 weight 0.10000E+01 volume 0.34000E+00 ppm1 8.124 ppm2 7.428
ASSI { 1621}
(segid " " and resid "125 " and name "HN ")
(segid " " and resid "128 " and name "HN ")
7.000 7.000 0.000 peak 1621 weight 0.10000E+01 volume 0.10500E+00 ppm1 8.126 ppm2 8.222
ASSI { 1630}
(segid " " and resid "126 " and name "HN ")
(segid " " and resid "129 " and name "HN ")
7.000 7.000 0.000 peak 1630 weight 0.10000E+01 volume 0.66000E-01 ppm1 8.500 ppm2 8.287
ASSI { 1639}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "124 " and name "HN ")
7.000 7.000 0.000 peak 1639 weight 0.10000E+01 volume 0.88000E-01 ppm1 8.225 ppm2 7.144
ASSI { 1641}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "126 " and name "HN ")
5.000 5.000 0.000 peak 1641 weight 0.10000E+01 volume 0.45900E+00 ppm1 8.226 ppm2 8.497
ASSI { 1644}
(segid " " and resid "128 " and name "HN ")
(segid " " and resid "129 " and name "HN ")
5.000 5.000 0.000 peak 1644 weight 0.10000E+01 volume 0.16110E+01 ppm1 8.223 ppm2 8.287
ASSI { 1645}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "125 " and name "HN ")
7.000 7.000 0.000 peak 1645 weight 0.10000E+01 volume 0.66000E-01 ppm1 8.285 ppm2 8.089
ASSI { 1650}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "131 " and name "HN ")
7.000 7.000 0.000 peak 1650 weight 0.10000E+01 volume 0.92000E-01 ppm1 8.286 ppm2 6.843
ASSI { 1651}
(segid " " and resid "129 " and name "HN ")
(segid " " and resid "132 " and name "HN ")
7.000 7.000 0.000 peak 1651 weight 0.10000E+01 volume 0.98000E-01 ppm1 8.284 ppm2 7.016
ASSI { 1654}
(segid " " and resid "131 " and name "HN ")
(segid " " and resid "132 " and name "HN ")
3.000 3.000 0.000 peak 1654 weight 0.10000E+01 volume 0.38470E+01 ppm1 6.835 ppm2 7.016
ASSI { 1657}
(segid " " and resid "132 " and name "HN ")
(segid " " and resid "134 " and name "HN ")
7.000 7.000 0.000 peak 1657 weight 0.10000E+01 volume 0.64000E-01 ppm1 7.032 ppm2 7.962
ASSI { 1659}
(segid " " and resid "133 " and name "HN ")
(segid " " and resid "131 " and name "HN ")
7.000 7.000 0.000 peak 1659 weight 0.10000E+01 volume 0.12700E+00 ppm1 8.742 ppm2 6.782
ASSI { 1664}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "135 " and name "HN ")
5.000 5.000 0.000 peak 1664 weight 0.10000E+01 volume 0.19740E+01 ppm1 7.964 ppm2 8.042
ASSI { 1666}
(segid " " and resid "134 " and name "HN ")
(segid " " and resid "136 " and name "HN ")
5.000 5.000 0.000 peak 1666 weight 0.10000E+01 volume 0.71800E+00 ppm1 7.966 ppm2 7.553
ASSI { 1670}
(segid " " and resid "135 " and name "HN ")
(segid " " and resid "136 " and name "HN ")
3.000 3.000 0.000 peak 1670 weight 0.10000E+01 volume 0.30700E+01 ppm1 8.055 ppm2 7.553
ASSI { 1674}
(segid " " and resid "136 " and name "HN ")
(segid " " and resid "137 " and name "HN ")
7.000 7.000 0.000 peak 1674 weight 0.10000E+01 volume 0.15100E+00 ppm1 7.568 ppm2 7.445
ASSI { 1680}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "140 " and name "HN ")
5.000 5.000 0.000 peak 1680 weight 0.10000E+01 volume 0.36800E+00 ppm1 7.720 ppm2 8.137
ASSI { 1681}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "141 " and name "HN ")
5.000 5.000 0.000 peak 1681 weight 0.10000E+01 volume 0.54300E+00 ppm1 7.709 ppm2 8.447
ASSI { 1683}
(segid " " and resid "138 " and name "HN ")
(segid " " and resid "143 " and name "HN ")
7.000 7.000 0.000 peak 1683 weight 0.10000E+01 volume 0.18900E+00 ppm1 7.704 ppm2 8.580
ASSI { 1686}
(segid " " and resid "139 " and name "HN ")
(segid " " and resid "141 " and name "HN ")
5.000 5.000 0.000 peak 1686 weight 0.10000E+01 volume 0.58600E+00 ppm1 8.297 ppm2 8.447
ASSI { 1695}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "139 " and name "HN ")
7.000 7.000 0.000 peak 1695 weight 0.10000E+01 volume 0.20900E+00 ppm1 8.197 ppm2 8.294
ASSI { 1696}
(segid " " and resid "142 " and name "HN ")
(segid " " and resid "140 " and name "HN ")
5.000 5.000 0.000 peak 1696 weight 0.10000E+01 volume 0.12780E+01 ppm1 8.187 ppm2 8.137
ASSI { 1701}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "145 " and name "HN ")
7.000 7.000 0.000 peak 1701 weight 0.10000E+01 volume 0.23900E+00 ppm1 8.562 ppm2 8.795
ASSI { 1702}
(segid " " and resid "143 " and name "HN ")
(segid " " and resid "146 " and name "HN ")
5.000 5.000 0.000 peak 1702 weight 0.10000E+01 volume 0.63800E+00 ppm1 8.575 ppm2 7.642
ASSI { 1706}
(segid " " and resid "145 " and name "HN ")
(segid " " and resid "147 " and name "HN ")
5.000 5.000 0.000 peak 1706 weight 0.10000E+01 volume 0.37700E+00 ppm1 8.794 ppm2 8.753
ASSI { 1707}
(segid " " and resid "145 " and name "HN ")
(segid " " and resid "148 " and name "HN ")
7.000 7.000 0.000 peak 1707 weight 0.10000E+01 volume 0.84000E-01 ppm1 8.793 ppm2 8.274
ASSI { 1713}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "143 " and name "HN ")
5.000 5.000 0.000 peak 1713 weight 0.10000E+01 volume 0.50100E+00 ppm1 8.754 ppm2 8.573
ASSI { 1717}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "149 " and name "HN ")
5.000 5.000 0.000 peak 1717 weight 0.10000E+01 volume 0.41400E+00 ppm1 8.758 ppm2 8.552
ASSI { 1718}
(segid " " and resid "147 " and name "HN ")
(segid " " and resid "150 " and name "HN ")
7.000 7.000 0.000 peak 1718 weight 0.10000E+01 volume 0.11500E+00 ppm1 8.745 ppm2 8.416
ASSI { 1720}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "146 " and name "HN ")
5.000 5.000 0.000 peak 1720 weight 0.10000E+01 volume 0.66300E+00 ppm1 8.280 ppm2 7.644
ASSI { 1723}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "150 " and name "HN ")
5.000 5.000 0.000 peak 1723 weight 0.10000E+01 volume 0.14270E+01 ppm1 8.282 ppm2 8.403
ASSI { 1724}
(segid " " and resid "148 " and name "HN ")
(segid " " and resid "151 " and name "HN ")
7.000 7.000 0.000 peak 1724 weight 0.10000E+01 volume 0.11400E+00 ppm1 8.271 ppm2 7.795
ASSI { 1726}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "146 " and name "HN ")
5.000 5.000 0.000 peak 1726 weight 0.10000E+01 volume 0.36900E+00 ppm1 8.552 ppm2 7.643
ASSI { 1730}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "151 " and name "HN ")
5.000 5.000 0.000 peak 1730 weight 0.10000E+01 volume 0.33400E+00 ppm1 8.552 ppm2 7.795
ASSI { 1731}
(segid " " and resid "149 " and name "HN ")
(segid " " and resid "152 " and name "HN ")
7.000 7.000 0.000 peak 1731 weight 0.10000E+01 volume 0.12500E+00 ppm1 8.553 ppm2 7.987
ASSI { 1737}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "152 " and name "HN ")
5.000 5.000 0.000 peak 1737 weight 0.10000E+01 volume 0.64000E+00 ppm1 8.416 ppm2 7.987
ASSI { 1738}
(segid " " and resid "150 " and name "HN ")
(segid " " and resid "153 " and name "HN ")
7.000 7.000 0.000 peak 1738 weight 0.10000E+01 volume 0.26800E+00 ppm1 8.424 ppm2 7.839
ASSI { 1743}
(segid " " and resid "151 " and name "HN ")
(segid " " and resid "153 " and name "HN ")
5.000 5.000 0.000 peak 1743 weight 0.10000E+01 volume 0.86400E+00 ppm1 7.796 ppm2 7.839
ASSI { 1752}
(segid " " and resid "153 " and name "HN ")
(segid " " and resid "156 " and name "HN ")
7.000 7.000 0.000 peak 1752 weight 0.10000E+01 volume 0.85000E-01 ppm1 7.860 ppm2 7.104
ASSI { 1753}
(segid " " and resid "154 " and name "HE21")
(segid " " and resid "158 " and name "HN ")
7.000 7.000 0.000 peak 1753 weight 0.10000E+01 volume 0.11400E+00 ppm1 7.834 ppm2 8.298
ASSI { 1754}
(segid " " and resid "154 " and name "HE22")
(segid " " and resid "158 " and name "HN ")
7.000 7.000 0.000 peak 1754 weight 0.10000E+01 volume 0.63000E-01 ppm1 6.808 ppm2 8.298
ASSI { 1756}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "157 " and name "HN ")
3.000 3.000 0.000 peak 1756 weight 0.10000E+01 volume 0.36450E+01 ppm1 7.128 ppm2 8.153
ASSI { 1757}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "158 " and name "HN ")
5.000 5.000 0.000 peak 1757 weight 0.10000E+01 volume 0.74400E+00 ppm1 7.126 ppm2 8.298
ASSI { 1758}
(segid " " and resid "156 " and name "HN ")
(segid " " and resid "159 " and name "HN ")
7.000 7.000 0.000 peak 1758 weight 0.10000E+01 volume 0.61000E-01 ppm1 7.134 ppm2 7.383
ASSI { 1761}
(segid " " and resid "157 " and name "HN ")
(segid " " and resid "159 " and name "HN ")
5.000 5.000 0.000 peak 1761 weight 0.10000E+01 volume 0.34000E+00 ppm1 8.164 ppm2 7.386
ASSI { 1766}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "157 " and name "HN ")
3.000 3.000 0.000 peak 1766 weight 0.10000E+01 volume 0.55200E+01 ppm1 8.298 ppm2 8.153
ASSI { 1768}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "160 " and name "HN ")
5.000 5.000 0.000 peak 1768 weight 0.10000E+01 volume 0.33400E+00 ppm1 8.299 ppm2 7.926
ASSI { 1769}
(segid " " and resid "158 " and name "HN ")
(segid " " and resid "161 " and name "HN ")
7.000 7.000 0.000 peak 1769 weight 0.10000E+01 volume 0.13700E+00 ppm1 8.299 ppm2 8.741
ASSI { 1774}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "161 " and name "HN ")
5.000 5.000 0.000 peak 1774 weight 0.10000E+01 volume 0.59300E+00 ppm1 7.374 ppm2 8.742
ASSI { 1775}
(segid " " and resid "159 " and name "HN ")
(segid " " and resid "162 " and name "HN ")
7.000 7.000 0.000 peak 1775 weight 0.10000E+01 volume -0.15700E+00 ppm1 7.374 ppm2 7.593
ASSI { 1779}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "161 " and name "HN ")
3.000 3.000 0.000 peak 1779 weight 0.10000E+01 volume 0.36160E+01 ppm1 7.945 ppm2 8.746
ASSI { 1780}
(segid " " and resid "160 " and name "HN ")
(segid " " and resid "162 " and name "HN ")
5.000 5.000 0.000 peak 1780 weight 0.10000E+01 volume -0.76700E+00 ppm1 7.930 ppm2 7.579
ASSI { 1785}
(segid " " and resid "161 " and name "HN ")
(segid " " and resid "163 " and name "HN ")
7.000 7.000 0.000 peak 1785 weight 0.10000E+01 volume 0.29100E+00 ppm1 8.753 ppm2 7.485
ASSI { 1790}
(segid " " and resid "162 " and name "HN ")
(segid " " and resid "164 " and name "HN ")
5.000 5.000 0.000 peak 1790 weight 0.10000E+01 volume -0.32800E+00 ppm1 7.586 ppm2 7.616
ASSI (
(segid " " and resid "136 " and name "HD2 ")
)(
(segid " " and resid "114 " and name "HE1 ")
)
5.000 5.000 0.000 peak 5544 weight 0.10000E+01 volume 0.30700E+00 ppm1 6.748 ppm2 7.841
ASSI (
(segid " " and resid "166 " and name "HD13")
OR
(segid " " and resid "166 " and name "HD12")
OR
(segid " " and resid "166 " and name "HD11")
)(
(segid " " and resid "164 " and name "HE3 ")
OR
(segid " " and resid "164 " and name "HE2 ")
OR
(segid " " and resid "164 " and name "HE1 ")
)
6.000 6.000 0.000 peak 12859 weight 0.10000E+01 volume 0.24400E+00 ppm1 0.913 ppm2 1.989
ASSI (
(segid " " and resid "53 " and name "HD2 ")
OR
(segid " " and resid "53 " and name "HD1 ")
)(
(segid " " and resid "83 " and name "HB3 ")
OR
(segid " " and resid "83 " and name "HB2 ")
OR
(segid " " and resid "83 " and name "HB1 ")
)
5.000 5.000 0.000 peak 5435 weight 0.10000E+01 volume 0.38000E+00 ppm1 7.201 ppm2 1.332
ASSI (
(segid " " and resid "114 " and name "HE1 ")
)(
(segid " " and resid "136 " and name "HD2 ")
)
6.000 6.000 0.000 peak 5437 weight 0.10000E+01 volume 0.27800E+00 ppm1 7.837 ppm2 6.750
ASSI (
(segid " " and resid "157 " and name "HE3 ")
OR
(segid " " and resid "157 " and name "HE2 ")
OR
(segid " " and resid "157 " and name "HE1 ")
)(
(segid " " and resid "149 " and name "HD2 ")
OR
(segid " " and resid "149 " and name "HD1 ")
)
5.000 5.000 0.000 peak 5439 weight 0.10000E+01 volume -0.30800E+00 ppm1 2.052 ppm2 3.269
ASSI (
(segid " " and resid "157 " and name "HE3 ")
OR
(segid " " and resid "157 " and name "HE1 ")
)(
(segid " " and resid "149 " and name "HA ")
)
6.000 6.000 0.000 peak 5440 weight 0.10000E+01 volume 0.29100E+00 ppm1 2.052 ppm2 4.340
ASSI (
(segid " " and resid "164 " and name "HE3 ")
OR
(segid " " and resid "164 " and name "HE2 ")
)(
(segid " " and resid "164 " and name "HA ")
)
6.000 6.000 0.000 peak 5441 weight 0.10000E+01 volume -0.27100E+00 ppm1 1.981 ppm2 4.521
ASSI (
(segid " " and resid "164 " and name "HE3 ")
OR
(segid " " and resid "164 " and name "HE2 ")
OR
(segid " " and resid "164 " and name "HE1 ")
)(
(segid " " and resid "145 " and name "HD13")
OR
(segid " " and resid "145 " and name "HD12")
OR
(segid " " and resid "145 " and name "HD11")
OR
(segid " " and resid "134 " and name "HD11")
)
5.000 5.000 0.000 peak 5442 weight 0.10000E+01 volume 0.19920E+01 ppm1 1.973 ppm2 0.947
ASSI (
(segid " " and resid "166 " and name "HG23")
OR
(segid " " and resid "166 " and name "HG22")
OR
(segid " " and resid "166 " and name "HG21")
)(
(segid " " and resid "167 " and name "HD2 ")
)
5.000 5.000 0.000 peak 12855 weight 0.10000E+01 volume -0.34800E+00 ppm1 0.996 ppm2 3.740
ASSI (
(segid " " and resid "159 " and name "HG23")
OR
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "159 " and name "HG21")
)(
(segid " " and resid "126 " and name "HA ")
)
3.300 3.300 0.000 peak 5444 weight 0.10000E+01 volume 0.27090E+01 ppm1 0.904 ppm2 4.004
ASSI (
(segid " " and resid "159 " and name "HG23")
OR
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "159 " and name "HG21")
OR
(segid " " and resid "117 " and name "HD13")
OR
(segid " " and resid "117 " and name "HD12")
OR
(segid " " and resid "117 " and name "HD11")
)(
(segid " " and resid "159 " and name "HG12")
OR
(segid " " and resid "147 " and name "HD13")
OR
(segid " " and resid "147 " and name "HD12")
OR
(segid " " and resid "147 " and name "HD11")
)
5.000 5.000 0.000 peak 5445 weight 0.10000E+01 volume 0.12650E+01 ppm1 0.901 ppm2 1.169
ASSI (
(segid " " and resid "153 " and name "HB3 ")
OR
(segid " " and resid "153 " and name "HB2 ")
OR
(segid " " and resid "153 " and name "HB1 ")
)(
(segid " " and resid "156 " and name "HG ")
)
5.000 5.000 0.000 peak 12861 weight 0.10000E+01 volume 0.46200E+00 ppm1 1.375 ppm2 1.896
ASSI (
(segid " " and resid "52 " and name "HE3 ")
OR
(segid " " and resid "52 " and name "HE2 ")
OR
(segid " " and resid "52 " and name "HE1 ")
)(
(segid " " and resid "20 " and name "HA ")
)
5.000 5.000 0.000 peak 5446 weight 0.10000E+01 volume -0.41000E+00 ppm1 2.083 ppm2 4.518
ASSI (
(segid " " and resid "148 " and name "HB3 ")
OR
(segid " " and resid "148 " and name "HB2 ")
OR
(segid " " and resid "148 " and name "HB1 ")
)(
(segid " " and resid "145 " and name "HD23")
OR
(segid " " and resid "145 " and name "HD22")
OR
(segid " " and resid "145 " and name "HD21")
)
5.000 5.000 0.000 peak 5447 weight 0.10000E+01 volume 0.13110E+01 ppm1 1.432 ppm2 1.000
ASSI (
(segid " " and resid "17 " and name "HB3 ")
OR
(segid " " and resid "17 " and name "HB2 ")
OR
(segid " " and resid "17 " and name "HB1 ")
)(
(segid " " and resid "25 " and name "HB1 ")
)
6.000 6.000 0.000 peak 5448 weight 0.10000E+01 volume 0.27900E+00 ppm1 1.509 ppm2 1.969
ASSI (
(segid " " and resid "83 " and name "HB3 ")
OR
(segid " " and resid "83 " and name "HB2 ")
OR
(segid " " and resid "83 " and name "HB1 ")
)(
(segid " " and resid "95 " and name "HD13")
OR
(segid " " and resid "95 " and name "HD12")
OR
(segid " " and resid "95 " and name "HD11")
)
3.300 3.300 0.000 peak 5548 weight 0.10000E+01 volume 0.22570E+01 ppm1 1.321 ppm2 0.717
ASSI (
(segid " " and resid "18 " and name "HB3 ")
OR
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ASSI (
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5.000 5.000 0.000 peak 5650 weight 0.10000E+01 volume 0.17390E+01 ppm1 3.794 ppm2 0.970
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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3.300 3.300 0.000 peak 5673 weight 0.10000E+01 volume -0.23940E+01 ppm1 4.026 ppm2 1.264
ASSI (
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ASSI (
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ASSI (
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ASSI (
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5.000 5.000 0.000 peak 5688 weight 0.10000E+01 volume 0.75800E+00 ppm1 0.926 ppm2 1.571
ASSI (
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5.000 5.000 0.000 peak 5692 weight 0.10000E+01 volume 0.18700E+01 ppm1 1.692 ppm2 1.126
ASSI (
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5.000 5.000 0.000 peak 5693 weight 0.10000E+01 volume 0.85000E+00 ppm1 1.690 ppm2 0.937
ASSI (
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ASSI (
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ASSI (
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ASSI (
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5.000 5.000 0.000 peak 5703 weight 0.10000E+01 volume -0.96200E+00 ppm1 4.255 ppm2 2.128
ASSI (
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ASSI (
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ASSI (
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5.000 5.000 0.000 peak 5708 weight 0.10000E+01 volume -0.40500E+00 ppm1 5.061 ppm2 3.994
ASSI (
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5.000 5.000 0.000 peak 5710 weight 0.10000E+01 volume 0.66800E+00 ppm1 1.972 ppm2 4.308
ASSI (
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5.000 5.000 0.000 peak 5711 weight 0.10000E+01 volume 0.90300E+00 ppm1 2.042 ppm2 4.308
ASSI (
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ASSI (
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6.000 6.000 0.000 peak 5713 weight 0.10000E+01 volume -0.24600E+00 ppm1 2.054 ppm2 2.760
ASSI (
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5.000 5.000 0.000 peak 5714 weight 0.10000E+01 volume 0.34300E+00 ppm1 4.320 ppm2 3.768
ASSI (
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5.000 5.000 0.000 peak 5715 weight 0.10000E+01 volume 0.68400E+00 ppm1 4.315 ppm2 1.325
ASSI (
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2.700 2.700 0.000 peak 5716 weight 0.10000E+01 volume -0.61080E+01 ppm1 1.445 ppm2 4.102
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5.000 5.000 0.000 peak 5718 weight 0.10000E+01 volume 0.17720E+01 ppm1 1.006 ppm2 3.432
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2.700 2.700 0.000 peak 5719 weight 0.10000E+01 volume -0.64470E+01 ppm1 3.763 ppm2 1.344
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6.000 6.000 0.000 peak 5721 weight 0.10000E+01 volume 0.22500E+00 ppm1 1.800 ppm2 4.118
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5.000 5.000 0.000 peak 12893 weight 0.10000E+01 volume -0.58200E+00 ppm1 3.628 ppm2 0.968
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ASSI (
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ASSI (
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6.000 6.000 0.000 peak 5727 weight 0.10000E+01 volume -0.27600E+00 ppm1 2.040 ppm2 4.519
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6.000 6.000 0.000 peak 5728 weight 0.10000E+01 volume -0.20900E+00 ppm1 2.171 ppm2 4.519
ASSI (
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ASSI (
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5.000 5.000 0.000 peak 5730 weight 0.10000E+01 volume -0.11350E+01 ppm1 4.510 ppm2 2.171
ASSI (
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5.000 5.000 0.000 peak 5732 weight 0.10000E+01 volume -0.19580E+01 ppm1 1.128 ppm2 3.999
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6.000 6.000 0.000 peak 5733 weight 0.10000E+01 volume 0.21800E+00 ppm1 4.408 ppm2 1.717
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ASSI (
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3.300 3.300 0.000 peak 12844 weight 0.10000E+01 volume 0.21100E+01 ppm1 4.340 ppm2 0.911
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ASSI (
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ASSI (
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5.000 5.000 0.000 peak 5748 weight 0.10000E+01 volume -0.49800E+00 ppm1 4.102 ppm2 4.665
ASSI (
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3.300 3.300 0.000 peak 5746 weight 0.10000E+01 volume -0.25700E+01 ppm1 4.662 ppm2 4.053
ASSI (
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6.000 6.000 0.000 peak 5747 weight 0.10000E+01 volume -0.29800E+00 ppm1 4.026 ppm2 4.665
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3.300 3.300 0.000 peak 13015 weight 0.10000E+01 volume 0.20120E+01 ppm1 1.239 ppm2 4.255
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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2.700 2.700 0.000 peak 7886 weight 0.10000E+01 volume -0.42820E+01 ppm1 7.585 ppm2 3.800
ASSI (
(segid " " and resid "66 " and name "HN ")
)(
(segid " " and resid "65 " and name "HA ")
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5.000 5.000 0.000 peak 7887 weight 0.10000E+01 volume -0.10120E+01 ppm1 7.594 ppm2 4.485
ASSI (
(segid " " and resid "162 " and name "HN ")
OR
(segid " " and resid "99 " and name "HN ")
OR
(segid " " and resid "66 " and name "HN ")
)(
(segid " " and resid "158 " and name "HA ")
OR
(segid " " and resid "99 " and name "HA1 ")
OR
(segid " " and resid "66 " and name "HA1 ")
)
5.000 5.000 0.000 peak 7889 weight 0.10000E+01 volume -0.13330E+01 ppm1 7.589 ppm2 4.388
ASSI (
(segid " " and resid "99 " and name "HN ")
)(
(segid " " and resid "100 " and name "HA ")
)
6.000 6.000 0.000 peak 7890 weight 0.10000E+01 volume -0.21300E+00 ppm1 7.635 ppm2 4.213
ASSI (
(segid " " and resid "49 " and name "HE21")
)(
(segid " " and resid "73 " and name "HB2 ")
OR
(segid " " and resid "49 " and name "HG1 ")
OR
(segid " " and resid "49 " and name "HB1 ")
)
5.000 5.000 0.000 peak 7891 weight 0.10000E+01 volume 0.38000E+00 ppm1 8.466 ppm2 2.660
ASSI (
(segid " " and resid "49 " and name "HE22")
)(
(segid " " and resid "49 " and name "HE21")
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3.300 3.300 0.000 peak 7892 weight 0.10000E+01 volume 0.23880E+01 ppm1 6.118 ppm2 8.461
ASSI (
(segid " " and resid "49 " and name "HE21")
)(
(segid " " and resid "49 " and name "HE22")
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3.300 3.300 0.000 peak 7893 weight 0.10000E+01 volume 0.24440E+01 ppm1 8.465 ppm2 6.113
ASSI (
(segid " " and resid "49 " and name "HE22")
)(
(segid " " and resid "72 " and name "HG2 ")
OR
(segid " " and resid "72 " and name "HG1 ")
OR
(segid " " and resid "49 " and name "HG2 ")
)
6.000 6.000 0.000 peak 7894 weight 0.10000E+01 volume 0.25200E+00 ppm1 6.124 ppm2 2.215
ASSI (
(segid " " and resid "49 " and name "HE21")
)(
(segid " " and resid "71 " and name "HG13")
OR
(segid " " and resid "71 " and name "HG12")
OR
(segid " " and resid "71 " and name "HG11")
)
6.000 6.000 0.000 peak 7895 weight 0.10000E+01 volume 0.24700E+00 ppm1 8.461 ppm2 0.848
ASSI (
(segid " " and resid "49 " and name "HE21")
)(
(segid " " and resid "49 " and name "HG2 ")
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5.000 5.000 0.000 peak 7896 weight 0.10000E+01 volume 0.43900E+00 ppm1 8.471 ppm2 2.223
ASSI (
(segid " " and resid "41 " and name "HD22")
)(
(segid " " and resid "41 " and name "HB1 ")
)
5.000 5.000 0.000 peak 7897 weight 0.10000E+01 volume 0.30600E+00 ppm1 5.873 ppm2 3.949
ASSI (
(segid " " and resid "41 " and name "HD22")
)(
(segid " " and resid "41 " and name "HD21")
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5.000 5.000 0.000 peak 7898 weight 0.10000E+01 volume 0.14520E+01 ppm1 5.868 ppm2 7.952
ASSI (
(segid " " and resid "41 " and name "HD21")
)(
(segid " " and resid "41 " and name "HD22")
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5.000 5.000 0.000 peak 7899 weight 0.10000E+01 volume 0.16910E+01 ppm1 7.952 ppm2 5.871
ASSI (
(segid " " and resid "41 " and name "HD22")
)(
(segid " " and resid "50 " and name "HG23")
OR
(segid " " and resid "50 " and name "HG22")
OR
(segid " " and resid "50 " and name "HG13")
OR
(segid " " and resid "50 " and name "HG11")
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5.000 5.000 0.000 peak 7900 weight 0.10000E+01 volume 0.46000E+00 ppm1 5.869 ppm2 0.858
ASSI (
(segid " " and resid "41 " and name "HD21")
)(
(segid " " and resid "50 " and name "HG23")
OR
(segid " " and resid "50 " and name "HG13")
OR
(segid " " and resid "40 " and name "HD13")
OR
(segid " " and resid "40 " and name "HD11")
)
5.000 5.000 0.000 peak 7901 weight 0.10000E+01 volume 0.45600E+00 ppm1 7.942 ppm2 0.862
ASSI (
(segid " " and resid "141 " and name "HN ")
)(
(segid " " and resid "142 " and name "HG ")
OR
(segid " " and resid "137 " and name "HB1 ")
)
5.000 5.000 0.000 peak 7902 weight 0.10000E+01 volume 0.32500E+00 ppm1 8.458 ppm2 1.514
ASSI (
(segid " " and resid "141 " and name "HN ")
)(
(segid " " and resid "139 " and name "HB3 ")
OR
(segid " " and resid "139 " and name "HB2 ")
OR
(segid " " and resid "137 " and name "HG2 ")
)
6.000 6.000 0.000 peak 7903 weight 0.10000E+01 volume 0.23600E+00 ppm1 8.446 ppm2 1.397
ASSI (
(segid " " and resid "161 " and name "HE22")
OR
(segid " " and resid "65 " and name "HE22")
)(
(segid " " and resid "145 " and name "HD23")
OR
(segid " " and resid "145 " and name "HD22")
OR
(segid " " and resid "145 " and name "HD12")
OR
(segid " " and resid "145 " and name "HD11")
OR
(segid " " and resid "30 " and name "HB2 ")
)
6.000 6.000 0.000 peak 7904 weight 0.10000E+01 volume 0.24700E+00 ppm1 6.814 ppm2 0.988
ASSI (
(segid " " and resid "161 " and name "HE21")
)(
(segid " " and resid "145 " and name "HD23")
OR
(segid " " and resid "145 " and name "HD22")
OR
(segid " " and resid "145 " and name "HD13")
OR
(segid " " and resid "145 " and name "HD11")
)
6.000 6.000 0.000 peak 7905 weight 0.10000E+01 volume 0.12400E+00 ppm1 7.197 ppm2 0.988
ASSI (
(segid " " and resid "161 " and name "HE22")
)(
(segid " " and resid "161 " and name "HG2 ")
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5.000 5.000 0.000 peak 7906 weight 0.10000E+01 volume 0.30300E+00 ppm1 6.820 ppm2 2.387
ASSI (
(segid " " and resid "161 " and name "HE22")
OR
(segid " " and resid "65 " and name "HE22")
)(
(segid " " and resid "161 " and name "HB2 ")
OR
(segid " " and resid "161 " and name "HB1 ")
OR
(segid " " and resid "65 " and name "HB1 ")
)
5.000 5.000 0.000 peak 7907 weight 0.10000E+01 volume 0.32100E+00 ppm1 6.817 ppm2 2.161
ASSI (
(segid " " and resid "150 " and name "HE22")
)(
(segid " " and resid "142 " and name "HD13")
OR
(segid " " and resid "142 " and name "HD12")
OR
(segid " " and resid "142 " and name "HD11")
)
5.000 5.000 0.000 peak 7908 weight 0.10000E+01 volume 0.30500E+00 ppm1 6.757 ppm2 0.878
ASSI (
(segid " " and resid "150 " and name "HE22")
)(
(segid " " and resid "150 " and name "HG2 ")
OR
(segid " " and resid "150 " and name "HB1 ")
)
6.000 6.000 0.000 peak 7909 weight 0.10000E+01 volume 0.18300E+00 ppm1 6.759 ppm2 2.354
ASSI (
(segid " " and resid "150 " and name "HE21")
)(
(segid " " and resid "150 " and name "HG2 ")
OR
(segid " " and resid "150 " and name "HB1 ")
)
6.000 6.000 0.000 peak 7910 weight 0.10000E+01 volume 0.17100E+00 ppm1 7.589 ppm2 2.353
ASSI (
(segid " " and resid "46 " and name "HN ")
)(
(segid " " and resid "49 " and name "HB1 ")
)
6.000 6.000 0.000 peak 7911 weight 0.10000E+01 volume 0.22600E+00 ppm1 9.194 ppm2 2.615
ASSI (
(segid " " and resid "103 " and name "HD21")
)(
(segid " " and resid "133 " and name "HN ")
)
6.000 6.000 0.000 peak 7913 weight 0.10000E+01 volume 0.10700E+00 ppm1 7.544 ppm2 8.700
ASSI (
(segid " " and resid "103 " and name "HD21")
)(
(segid " " and resid "103 " and name "HN ")
OR
(segid " " and resid "102 " and name "HN ")
)
6.000 6.000 0.000 peak 7914 weight 0.10000E+01 volume 0.21200E+00 ppm1 7.549 ppm2 8.538
ASSI (
(segid " " and resid "103 " and name "HD21")
)(
(segid " " and resid "132 " and name "HA ")
)
6.000 6.000 0.000 peak 7915 weight 0.10000E+01 volume 0.20700E+00 ppm1 7.545 ppm2 5.072
ASSI (
(segid " " and resid "103 " and name "HD22")
)(
(segid " " and resid "133 " and name "HN ")
)
6.000 6.000 0.000 peak 7916 weight 0.10000E+01 volume 0.23100E+00 ppm1 6.759 ppm2 8.712
ASSI (
(segid " " and resid "72 " and name "HE22")
)(
(segid " " and resid "72 " and name "HG2 ")
OR
(segid " " and resid "72 " and name "HG1 ")
)
5.000 5.000 0.000 peak 7917 weight 0.10000E+01 volume 0.68400E+00 ppm1 6.730 ppm2 2.249
ASSI (
(segid " " and resid "128 " and name "HN ")
)(
(segid " " and resid "127 " and name "HE2 ")
OR
(segid " " and resid "127 " and name "HE1 ")
)
6.000 6.000 0.000 peak 7918 weight 0.10000E+01 volume 0.28900E+00 ppm1 8.230 ppm2 7.188
ASSI (
(segid " " and resid "155 " and name "HD21")
)(
(segid " " and resid "155 " and name "HD22")
)
5.000 5.000 0.000 peak 7919 weight 0.10000E+01 volume 0.62100E+00 ppm1 7.849 ppm2 7.156
ASSI (
(segid " " and resid "70 " and name "HD22")
)(
(segid " " and resid "70 " and name "HB1 ")
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6.000 6.000 0.000 peak 7920 weight 0.10000E+01 volume 0.20200E+00 ppm1 6.885 ppm2 3.022
ASSI (
(segid " " and resid "70 " and name "HD21")
)(
(segid " " and resid "101 " and name "HN ")
)
6.000 6.000 0.000 peak 7921 weight 0.10000E+01 volume 0.13500E+00 ppm1 7.862 ppm2 8.950
ASSI (
(segid " " and resid "70 " and name "HD22")
)(
(segid " " and resid "101 " and name "HN ")
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6.000 6.000 0.000 peak 7922 weight 0.10000E+01 volume 0.29100E+00 ppm1 6.882 ppm2 8.968
ASSI (
(segid " " and resid "70 " and name "HD21")
)(
(segid " " and resid "70 " and name "HD22")
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3.300 3.300 0.000 peak 7924 weight 0.10000E+01 volume 0.30670E+01 ppm1 7.863 ppm2 6.884
ASSI (
(segid " " and resid "155 " and name "HD21")
OR
(segid " " and resid "70 " and name "HD21")
)(
(segid " " and resid "158 " and name "HB1 ")
OR
(segid " " and resid "101 " and name "HB1 ")
OR
(segid " " and resid "70 " and name "HB2 ")
)
5.000 5.000 0.000 peak 7925 weight 0.10000E+01 volume 0.62400E+00 ppm1 7.869 ppm2 2.781
ASSI (
(segid " " and resid "70 " and name "HD22")
)(
(segid " " and resid "100 " and name "HA ")
)
6.000 6.000 0.000 peak 7926 weight 0.10000E+01 volume 0.21200E+00 ppm1 6.892 ppm2 4.219
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "32 " and name "HG2 ")
OR
(segid " " and resid "28 " and name "HG1 ")
)
6.000 6.000 0.000 peak 7927 weight 0.10000E+01 volume 0.23700E+00 ppm1 7.553 ppm2 1.706
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "29 " and name "HA ")
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5.000 5.000 0.000 peak 7928 weight 0.10000E+01 volume 0.43800E+00 ppm1 7.545 ppm2 3.884
ASSI (
(segid " " and resid "154 " and name "HE22")
)(
(segid " " and resid "156 " and name "HB1 ")
OR
(segid " " and resid "154 " and name "HB2 ")
)
6.000 6.000 0.000 peak 7929 weight 0.10000E+01 volume 0.19500E+00 ppm1 6.806 ppm2 2.039
ASSI (
(segid " " and resid "154 " and name "HE22")
)(
(segid " " and resid "156 " and name "HB1 ")
OR
(segid " " and resid "154 " and name "HB2 ")
)
6.000 6.000 0.000 peak 7930 weight 0.10000E+01 volume 0.19500E+00 ppm1 6.806 ppm2 2.039
ASSI (
(segid " " and resid "154 " and name "HE22")
)(
(segid " " and resid "152 " and name "HA1 ")
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6.000 6.000 0.000 peak 7931 weight 0.10000E+01 volume 0.11000E+00 ppm1 6.816 ppm2 3.995
ASSI (
(segid " " and resid "154 " and name "HE21")
)(
(segid " " and resid "154 " and name "HG2 ")
OR
(segid " " and resid "154 " and name "HG1 ")
)
5.000 5.000 0.000 peak 7934 weight 0.10000E+01 volume 0.18960E+01 ppm1 7.836 ppm2 2.414
ASSI (
(segid " " and resid "154 " and name "HE22")
)(
(segid " " and resid "154 " and name "HG2 ")
OR
(segid " " and resid "154 " and name "HG1 ")
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5.000 5.000 0.000 peak 7935 weight 0.10000E+01 volume 0.75500E+00 ppm1 6.809 ppm2 2.414
ASSI (
(segid " " and resid "154 " and name "HE21")
)(
(segid " " and resid "154 " and name "HE22")
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2.700 2.700 0.000 peak 7936 weight 0.10000E+01 volume 0.90360E+01 ppm1 7.837 ppm2 6.810
ASSI (
(segid " " and resid "154 " and name "HE22")
)(
(segid " " and resid "154 " and name "HE21")
)
2.700 2.700 0.000 peak 7937 weight 0.10000E+01 volume 0.92440E+01 ppm1 6.811 ppm2 7.841
ASSI (
(segid " " and resid "62 " and name "HN ")
)(
(segid " " and resid "64 " and name "HG2 ")
OR
(segid " " and resid "64 " and name "HG1 ")
OR
(segid " " and resid "63 " and name "HG ")
OR
(segid " " and resid "60 " and name "HB2 ")
OR
(segid " " and resid "30 " and name "HB1 ")
)
5.000 5.000 0.000 peak 7938 weight 0.10000E+01 volume 0.34400E+00 ppm1 7.504 ppm2 1.582
ASSI (
(segid " " and resid "85 " and name "HN ")
)(
(segid " " and resid "85 " and name "HG1 ")
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6.000 6.000 0.000 peak 7939 weight 0.10000E+01 volume 0.25300E+00 ppm1 8.635 ppm2 1.752
ASSI (
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)(
(segid " " and resid "46 " and name "HB ")
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5.000 5.000 0.000 peak 7940 weight 0.10000E+01 volume 0.30300E+00 ppm1 8.376 ppm2 4.910
ASSI (
(segid " " and resid "48 " and name "HN ")
OR
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "48 " and name "HD23")
OR
(segid " " and resid "48 " and name "HD22")
OR
(segid " " and resid "26 " and name "HG23")
OR
(segid " " and resid "26 " and name "HG22")
OR
(segid " " and resid "26 " and name "HG21")
)
5.000 5.000 0.000 peak 7941 weight 0.10000E+01 volume 0.11880E+01 ppm1 8.385 ppm2 0.805
ASSI (
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)(
(segid " " and resid "27 " and name "HB2 ")
OR
(segid " " and resid "27 " and name "HB1 ")
)
3.300 3.300 0.000 peak 7943 weight 0.10000E+01 volume 0.30100E+01 ppm1 8.417 ppm2 1.911
ASSI (
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OR
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "32 " and name "HB1 ")
OR
(segid " " and resid "26 " and name "HB ")
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3.300 3.300 0.000 peak 7944 weight 0.10000E+01 volume 0.27060E+01 ppm1 8.413 ppm2 2.184
ASSI (
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "58 " and name "HA ")
OR
(segid " " and resid "26 " and name "HA ")
OR
(segid " " and resid "23 " and name "HA ")
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5.000 5.000 0.000 peak 7945 weight 0.10000E+01 volume 0.52500E+00 ppm1 8.415 ppm2 3.379
ASSI (
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "27 " and name "HG1 ")
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3.300 3.300 0.000 peak 7946 weight 0.10000E+01 volume 0.28820E+01 ppm1 8.405 ppm2 1.707
ASSI (
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OR
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "31 " and name "HB2 ")
OR
(segid " " and resid "31 " and name "HB1 ")
OR
(segid " " and resid "27 " and name "HD2 ")
OR
(segid " " and resid "27 " and name "HD1 ")
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5.000 5.000 0.000 peak 7947 weight 0.10000E+01 volume 0.89000E+00 ppm1 8.416 ppm2 3.115
ASSI (
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "28 " and name "HN ")
OR
(segid " " and resid "26 " and name "HN ")
)
5.000 5.000 0.000 peak 7948 weight 0.10000E+01 volume 0.18770E+01 ppm1 8.416 ppm2 8.137
ASSI (
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OR
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "32 " and name "HG1 ")
OR
(segid " " and resid "27 " and name "HB2 ")
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3.300 3.300 0.000 peak 7949 weight 0.10000E+01 volume 0.29210E+01 ppm1 8.415 ppm2 1.847
ASSI (
(segid " " and resid "48 " and name "HN ")
OR
(segid " " and resid "32 " and name "HN ")
OR
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "67 " and name "HA ")
OR
(segid " " and resid "34 " and name "HA ")
OR
(segid " " and resid "28 " and name "HA ")
OR
(segid " " and resid "24 " and name "HA ")
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5.000 5.000 0.000 peak 7950 weight 0.10000E+01 volume 0.88100E+00 ppm1 8.413 ppm2 4.004
ASSI (
(segid " " and resid "48 " and name "HN ")
OR
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "48 " and name "HD23")
OR
(segid " " and resid "48 " and name "HD22")
OR
(segid " " and resid "26 " and name "HG23")
OR
(segid " " and resid "26 " and name "HG22")
OR
(segid " " and resid "26 " and name "HG21")
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5.000 5.000 0.000 peak 7951 weight 0.10000E+01 volume 0.10720E+01 ppm1 8.410 ppm2 0.806
ASSI (
(segid " " and resid "32 " and name "HN ")
OR
(segid " " and resid "27 " and name "HN ")
)(
(segid " " and resid "61 " and name "HG2 ")
OR
(segid " " and resid "32 " and name "HB2 ")
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3.300 3.300 0.000 peak 7952 weight 0.10000E+01 volume 0.20440E+01 ppm1 8.409 ppm2 2.092
ASSI (
(segid " " and resid "84 " and name "HN ")
OR
(segid " " and resid "58 " and name "HN ")
)(
(segid " " and resid "112 " and name "HA ")
OR
(segid " " and resid "57 " and name "HA ")
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6.000 6.000 0.000 peak 7953 weight 0.10000E+01 volume 0.21100E+00 ppm1 7.804 ppm2 4.114
ASSI (
(segid " " and resid "103 " and name "HN ")
)(
(segid " " and resid "104 " and name "HB3 ")
OR
(segid " " and resid "104 " and name "HB2 ")
OR
(segid " " and resid "104 " and name "HB1 ")
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5.000 5.000 0.000 peak 7955 weight 0.10000E+01 volume 0.56600E+00 ppm1 8.545 ppm2 1.315
ASSI (
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OR
(segid " " and resid "43 " and name "HN ")
)(
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OR
(segid " " and resid "42 " and name "HB2 ")
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3.300 3.300 0.000 peak 7956 weight 0.10000E+01 volume 0.28090E+01 ppm1 7.941 ppm2 1.774
ASSI (
(segid " " and resid "160 " and name "HN ")
OR
(segid " " and resid "43 " and name "HN ")
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(segid " " and resid "159 " and name "HD12")
OR
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OR
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OR
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "159 " and name "HG21")
OR
(segid " " and resid "40 " and name "HD13")
OR
(segid " " and resid "40 " and name "HD12")
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5.000 5.000 0.000 peak 7957 weight 0.10000E+01 volume 0.15300E+01 ppm1 7.944 ppm2 0.888
ASSI (
(segid " " and resid "160 " and name "HN ")
OR
(segid " " and resid "116 " and name "HN ")
OR
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OR
(segid " " and resid "43 " and name "HN ")
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OR
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OR
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OR
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OR
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OR
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OR
(segid " " and resid "15 " and name "HB1 ")
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5.000 5.000 0.000 peak 7958 weight 0.10000E+01 volume 0.34400E+00 ppm1 7.942 ppm2 4.001
ASSI (
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OR
(segid " " and resid "43 " and name "HN ")
)(
(segid " " and resid "159 " and name "HB ")
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(segid " " and resid "42 " and name "HB1 ")
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3.300 3.300 0.000 peak 7959 weight 0.10000E+01 volume 0.29550E+01 ppm1 7.944 ppm2 1.883
ASSI (
(segid " " and resid "160 " and name "HN ")
)(
(segid " " and resid "160 " and name "HD23")
OR
(segid " " and resid "160 " and name "HD22")
OR
(segid " " and resid "160 " and name "HD21")
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5.000 5.000 0.000 peak 7960 weight 0.10000E+01 volume 0.77900E+00 ppm1 7.944 ppm2 0.750
ASSI (
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OR
(segid " " and resid "43 " and name "HN ")
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(segid " " and resid "159 " and name "HB ")
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(segid " " and resid "42 " and name "HB1 ")
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3.300 3.300 0.000 peak 7961 weight 0.10000E+01 volume 0.29550E+01 ppm1 7.944 ppm2 1.893
ASSI (
(segid " " and resid "160 " and name "HN ")
OR
(segid " " and resid "43 " and name "HN ")
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(segid " " and resid "160 " and name "HB2 ")
OR
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(segid " " and resid "47 " and name "HB3 ")
OR
(segid " " and resid "47 " and name "HB2 ")
OR
(segid " " and resid "47 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8050 weight 0.10000E+01 volume 0.28700E+00 ppm1 8.251 ppm2 1.229
ASSI (
(segid " " and resid "15 " and name "HN ")
)(
(segid " " and resid "15 " and name "HB2 ")
OR
(segid " " and resid "15 " and name "HB1 ")
OR
(segid " " and resid "15 " and name "HA ")
)
5.000 5.000 0.000 peak 8052 weight 0.10000E+01 volume 0.19000E+01 ppm1 8.257 ppm2 3.945
ASSI (
(segid " " and resid "15 " and name "HN ")
)(
(segid " " and resid "12 " and name "HA ")
)
6.000 6.000 0.000 peak 8053 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.257 ppm2 4.612
ASSI (
(segid " " and resid "15 " and name "HN ")
)(
(segid " " and resid "14 " and name "HD13")
OR
(segid " " and resid "14 " and name "HD12")
)
6.000 6.000 0.000 peak 8054 weight 0.10000E+01 volume 0.25700E+00 ppm1 8.253 ppm2 0.995
ASSI (
(segid " " and resid "16 " and name "HN ")
)(
(segid " " and resid "16 " and name "HA1 ")
OR
(segid " " and resid "15 " and name "HB2 ")
OR
(segid " " and resid "15 " and name "HB1 ")
OR
(segid " " and resid "15 " and name "HA ")
)
3.300 3.300 0.000 peak 8059 weight 0.10000E+01 volume 0.31280E+01 ppm1 8.350 ppm2 3.954
ASSI (
(segid " " and resid "16 " and name "HN ")
)(
(segid " " and resid "17 " and name "HA ")
OR
(segid " " and resid "13 " and name "HA ")
)
5.000 5.000 0.000 peak 8060 weight 0.10000E+01 volume 0.12180E+01 ppm1 8.347 ppm2 4.164
ASSI (
(segid " " and resid "16 " and name "HN ")
)(
(segid " " and resid "17 " and name "HA ")
OR
(segid " " and resid "14 " and name "HA ")
OR
(segid " " and resid "13 " and name "HA ")
)
5.000 5.000 0.000 peak 8061 weight 0.10000E+01 volume 0.12450E+01 ppm1 8.352 ppm2 4.117
ASSI (
(segid " " and resid "16 " and name "HN ")
)(
(segid " " and resid "19 " and name "HB3 ")
OR
(segid " " and resid "19 " and name "HB2 ")
OR
(segid " " and resid "19 " and name "HB1 ")
OR
(segid " " and resid "17 " and name "HB3 ")
OR
(segid " " and resid "17 " and name "HB2 ")
OR
(segid " " and resid "17 " and name "HB1 ")
OR
(segid " " and resid "14 " and name "HG ")
)
5.000 5.000 0.000 peak 8062 weight 0.10000E+01 volume 0.34300E+00 ppm1 8.341 ppm2 1.539
ASSI (
(segid " " and resid "17 " and name "HN ")
)(
(segid " " and resid "26 " and name "HG12")
OR
(segid " " and resid "14 " and name "HD23")
OR
(segid " " and resid "14 " and name "HD22")
OR
(segid " " and resid "14 " and name "HD21")
)
6.000 6.000 0.000 peak 8066 weight 0.10000E+01 volume 0.28400E+00 ppm1 7.623 ppm2 0.929
ASSI (
(segid " " and resid "17 " and name "HN ")
)(
(segid " " and resid "18 " and name "HB3 ")
OR
(segid " " and resid "18 " and name "HB2 ")
OR
(segid " " and resid "18 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8067 weight 0.10000E+01 volume -0.18300E+00 ppm1 7.620 ppm2 1.300
ASSI (
(segid " " and resid "17 " and name "HN ")
)(
(segid " " and resid "29 " and name "HB1 ")
OR
(segid " " and resid "25 " and name "HB1 ")
OR
(segid " " and resid "20 " and name "HG1 ")
OR
(segid " " and resid "20 " and name "HB2 ")
OR
(segid " " and resid "20 " and name "HB1 ")
OR
(segid " " and resid "14 " and name "HB1 ")
OR
(segid " " and resid "13 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8068 weight 0.10000E+01 volume -0.56000E-01 ppm1 7.621 ppm2 1.970
ASSI (
(segid " " and resid "17 " and name "HN ")
)(
(segid " " and resid "18 " and name "HN ")
OR
(segid " " and resid "16 " and name "HN ")
)
3.300 3.300 0.000 peak 8069 weight 0.10000E+01 volume 0.27050E+01 ppm1 7.620 ppm2 8.354
ASSI (
(segid " " and resid "18 " and name "HN ")
)(
(segid " " and resid "30 " and name "HD21")
OR
(segid " " and resid "29 " and name "HD23")
OR
(segid " " and resid "29 " and name "HD22")
OR
(segid " " and resid "29 " and name "HD21")
OR
(segid " " and resid "29 " and name "HD13")
OR
(segid " " and resid "29 " and name "HD12")
OR
(segid " " and resid "29 " and name "HD11")
)
6.000 6.000 0.000 peak 8074 weight 0.10000E+01 volume 0.64000E-01 ppm1 8.369 ppm2 0.767
ASSI (
(segid " " and resid "18 " and name "HN ")
)(
(segid " " and resid "21 " and name "HA1 ")
OR
(segid " " and resid "19 " and name "HA ")
)
6.000 6.000 0.000 peak 8075 weight 0.10000E+01 volume 0.12000E+00 ppm1 8.370 ppm2 4.273
ASSI (
(segid " " and resid "18 " and name "HN ")
)(
(segid " " and resid "26 " and name "HG12")
OR
(segid " " and resid "14 " and name "HD23")
OR
(segid " " and resid "14 " and name "HD22")
OR
(segid " " and resid "14 " and name "HD21")
)
5.000 5.000 0.000 peak 8077 weight 0.10000E+01 volume 0.11920E+01 ppm1 8.363 ppm2 0.920
ASSI (
(segid " " and resid "18 " and name "HN ")
)(
(segid " " and resid "47 " and name "HA ")
OR
(segid " " and resid "16 " and name "HA1 ")
OR
(segid " " and resid "15 " and name "HA ")
)
5.000 5.000 0.000 peak 8078 weight 0.10000E+01 volume 0.57600E+00 ppm1 8.360 ppm2 3.943
ASSI (
(segid " " and resid "19 " and name "HN ")
)(
(segid " " and resid "51 " and name "HA ")
)
6.000 6.000 0.000 peak 8085 weight 0.10000E+01 volume 0.20700E+00 ppm1 8.965 ppm2 3.447
ASSI (
(segid " " and resid "19 " and name "HN ")
)(
(segid " " and resid "17 " and name "HA ")
)
6.000 6.000 0.000 peak 8086 weight 0.10000E+01 volume 0.13900E+00 ppm1 8.957 ppm2 4.113
ASSI (
(segid " " and resid "19 " and name "HN ")
)(
(segid " " and resid "18 " and name "HA ")
OR
(segid " " and resid "16 " and name "HA2 ")
)
5.000 5.000 0.000 peak 8087 weight 0.10000E+01 volume 0.46300E+00 ppm1 8.964 ppm2 3.846
ASSI (
(segid " " and resid "19 " and name "HN ")
)(
(segid " " and resid "50 " and name "HG23")
OR
(segid " " and resid "50 " and name "HG22")
OR
(segid " " and resid "50 " and name "HG21")
)
5.000 5.000 0.000 peak 8088 weight 0.10000E+01 volume 0.37500E+00 ppm1 8.963 ppm2 0.909
ASSI (
(segid " " and resid "20 " and name "HN ")
)(
(segid " " and resid "17 " and name "HA ")
)
6.000 6.000 0.000 peak 8096 weight 0.10000E+01 volume 0.14700E+00 ppm1 7.420 ppm2 4.154
ASSI (
(segid " " and resid "21 " and name "HN ")
)(
(segid " " and resid "52 " and name "HE3 ")
OR
(segid " " and resid "52 " and name "HE1 ")
OR
(segid " " and resid "52 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8107 weight 0.10000E+01 volume 0.57400E+00 ppm1 7.905 ppm2 2.090
ASSI (
(segid " " and resid "21 " and name "HN ")
)(
(segid " " and resid "58 " and name "HG23")
OR
(segid " " and resid "58 " and name "HG22")
OR
(segid " " and resid "58 " and name "HG21")
)
5.000 5.000 0.000 peak 8108 weight 0.10000E+01 volume 0.56600E+00 ppm1 7.904 ppm2 0.987
ASSI (
(segid " " and resid "21 " and name "HN ")
)(
(segid " " and resid "52 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8109 weight 0.10000E+01 volume 0.50000E+00 ppm1 7.904 ppm2 1.850
ASSI (
(segid " " and resid "21 " and name "HN ")
)(
(segid " " and resid "22 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8110 weight 0.10000E+01 volume 0.12000E+00 ppm1 7.901 ppm2 2.451
ASSI (
(segid " " and resid "22 " and name "HN ")
)(
(segid " " and resid "20 " and name "HN ")
)
6.000 6.000 0.000 peak 8118 weight 0.10000E+01 volume 0.25100E+00 ppm1 8.155 ppm2 7.413
ASSI (
(segid " " and resid "22 " and name "HN ")
)(
(segid " " and resid "23 " and name "HN ")
OR
(segid " " and resid "21 " and name "HN ")
)
5.000 5.000 0.000 peak 8119 weight 0.10000E+01 volume 0.16780E+01 ppm1 8.155 ppm2 7.902
ASSI (
(segid " " and resid "22 " and name "HN ")
)(
(segid " " and resid "21 " and name "HA2 ")
)
5.000 5.000 0.000 peak 8120 weight 0.10000E+01 volume 0.40500E+00 ppm1 8.153 ppm2 3.556
ASSI (
(segid " " and resid "23 " and name "HN ")
)(
(segid " " and resid "26 " and name "HB ")
OR
(segid " " and resid "24 " and name "HB2 ")
OR
(segid " " and resid "24 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8123 weight 0.10000E+01 volume 0.22300E+00 ppm1 7.880 ppm2 2.200
ASSI (
(segid " " and resid "23 " and name "HN ")
)(
(segid " " and resid "22 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8124 weight 0.10000E+01 volume 0.56000E-01 ppm1 7.873 ppm2 3.058
ASSI (
(segid " " and resid "23 " and name "HN ")
)(
(segid " " and resid "24 " and name "HG1 ")
OR
(segid " " and resid "22 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8125 weight 0.10000E+01 volume 0.30500E+00 ppm1 7.885 ppm2 2.457
ASSI (
(segid " " and resid "23 " and name "HN ")
)(
(segid " " and resid "23 " and name "HG23")
OR
(segid " " and resid "23 " and name "HG21")
OR
(segid " " and resid "23 " and name "HG13")
OR
(segid " " and resid "23 " and name "HG12")
OR
(segid " " and resid "23 " and name "HG11")
)
3.300 3.300 0.000 peak 8128 weight 0.10000E+01 volume 0.28860E+01 ppm1 7.876 ppm2 0.929
ASSI (
(segid " " and resid "24 " and name "HN ")
)(
(segid " " and resid "26 " and name "HN ")
OR
(segid " " and resid "22 " and name "HN ")
)
6.000 6.000 0.000 peak 8132 weight 0.10000E+01 volume 0.21200E+00 ppm1 8.446 ppm2 8.130
ASSI (
(segid " " and resid "25 " and name "HN ")
)(
(segid " " and resid "26 " and name "HG13")
OR
(segid " " and resid "26 " and name "HG12")
OR
(segid " " and resid "26 " and name "HG11")
OR
(segid " " and resid "23 " and name "HG23")
OR
(segid " " and resid "23 " and name "HG22")
OR
(segid " " and resid "23 " and name "HG21")
OR
(segid " " and resid "23 " and name "HG13")
OR
(segid " " and resid "23 " and name "HG12")
OR
(segid " " and resid "23 " and name "HG11")
)
5.000 5.000 0.000 peak 8146 weight 0.10000E+01 volume 0.34600E+00 ppm1 7.742 ppm2 0.929
ASSI (
(segid " " and resid "25 " and name "HN ")
)(
(segid " " and resid "23 " and name "HN ")
)
5.000 5.000 0.000 peak 8148 weight 0.10000E+01 volume 0.68800E+00 ppm1 7.741 ppm2 7.867
ASSI (
(segid " " and resid "25 " and name "HN ")
)(
(segid " " and resid "25 " and name "HG2 ")
OR
(segid " " and resid "24 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8149 weight 0.10000E+01 volume 0.17040E+01 ppm1 7.742 ppm2 2.164
ASSI (
(segid " " and resid "25 " and name "HN ")
)(
(segid " " and resid "25 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8150 weight 0.10000E+01 volume 0.18030E+01 ppm1 7.743 ppm2 1.958
ASSI (
(segid " " and resid "25 " and name "HN ")
)(
(segid " " and resid "26 " and name "HA ")
OR
(segid " " and resid "23 " and name "HA ")
)
6.000 6.000 0.000 peak 8151 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.750 ppm2 3.362
ASSI (
(segid " " and resid "25 " and name "HN ")
)(
(segid " " and resid "24 " and name "HG2 ")
OR
(segid " " and resid "24 " and name "HG1 ")
)
5.000 5.000 0.000 peak 8152 weight 0.10000E+01 volume 0.31800E+00 ppm1 7.739 ppm2 2.480
ASSI (
(segid " " and resid "26 " and name "HN ")
)(
(segid " " and resid "26 " and name "HA ")
OR
(segid " " and resid "23 " and name "HA ")
)
5.000 5.000 0.000 peak 8160 weight 0.10000E+01 volume 0.15520E+01 ppm1 8.130 ppm2 3.380
ASSI (
(segid " " and resid "28 " and name "HN ")
)(
(segid " " and resid "28 " and name "HA ")
OR
(segid " " and resid "24 " and name "HA ")
)
5.000 5.000 0.000 peak 8165 weight 0.10000E+01 volume 0.19290E+01 ppm1 8.145 ppm2 4.007
ASSI (
(segid " " and resid "29 " and name "HN ")
)(
(segid " " and resid "35 " and name "HG23")
OR
(segid " " and resid "35 " and name "HG22")
OR
(segid " " and resid "35 " and name "HG21")
OR
(segid " " and resid "35 " and name "HG13")
OR
(segid " " and resid "35 " and name "HG12")
OR
(segid " " and resid "35 " and name "HG11")
OR
(segid " " and resid "26 " and name "HG13")
OR
(segid " " and resid "26 " and name "HG12")
OR
(segid " " and resid "26 " and name "HG11")
OR
(segid " " and resid "14 " and name "HD23")
OR
(segid " " and resid "14 " and name "HD21")
)
5.000 5.000 0.000 peak 8167 weight 0.10000E+01 volume 0.10560E+01 ppm1 8.570 ppm2 0.932
ASSI (
(segid " " and resid "29 " and name "HN ")
)(
(segid " " and resid "30 " and name "HN ")
OR
(segid " " and resid "28 " and name "HN ")
)
5.000 5.000 0.000 peak 8168 weight 0.10000E+01 volume 0.13720E+01 ppm1 8.567 ppm2 8.142
ASSI (
(segid " " and resid "29 " and name "HN ")
)(
(segid " " and resid "28 " and name "HG2 ")
OR
(segid " " and resid "25 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8169 weight 0.10000E+01 volume 0.79800E+00 ppm1 8.575 ppm2 1.569
ASSI (
(segid " " and resid "29 " and name "HN ")
)(
(segid " " and resid "32 " and name "HB2 ")
OR
(segid " " and resid "26 " and name "HB ")
OR
(segid " " and resid "25 " and name "HG2 ")
)
5.000 5.000 0.000 peak 8170 weight 0.10000E+01 volume 0.53000E+00 ppm1 8.572 ppm2 2.129
ASSI (
(segid " " and resid "29 " and name "HN ")
)(
(segid " " and resid "33 " and name "HG1 ")
OR
(segid " " and resid "25 " and name "HG1 ")
)
6.000 6.000 0.000 peak 8171 weight 0.10000E+01 volume 0.25300E+00 ppm1 8.571 ppm2 2.343
ASSI (
(segid " " and resid "29 " and name "HN ")
)(
(segid " " and resid "29 " and name "HB1 ")
OR
(segid " " and resid "28 " and name "HB2 ")
OR
(segid " " and resid "28 " and name "HB1 ")
)
3.300 3.300 0.000 peak 8172 weight 0.10000E+01 volume 0.26120E+01 ppm1 8.567 ppm2 1.976
ASSI (
(segid " " and resid "30 " and name "HN ")
)(
(segid " " and resid "32 " and name "HN ")
OR
(segid " " and resid "27 " and name "HN ")
)
6.000 6.000 0.000 peak 8180 weight 0.10000E+01 volume 0.12500E+00 ppm1 8.145 ppm2 8.394
ASSI (
(segid " " and resid "30 " and name "HN ")
)(
(segid " " and resid "30 " and name "HD23")
OR
(segid " " and resid "30 " and name "HD22")
OR
(segid " " and resid "30 " and name "HD21")
OR
(segid " " and resid "29 " and name "HD23")
OR
(segid " " and resid "29 " and name "HD12")
OR
(segid " " and resid "29 " and name "HD11")
OR
(segid " " and resid "26 " and name "HG23")
)
5.000 5.000 0.000 peak 8181 weight 0.10000E+01 volume 0.10810E+01 ppm1 8.149 ppm2 0.775
ASSI (
(segid " " and resid "30 " and name "HN ")
)(
(segid " " and resid "35 " and name "HG23")
OR
(segid " " and resid "35 " and name "HG21")
OR
(segid " " and resid "35 " and name "HG12")
OR
(segid " " and resid "35 " and name "HG11")
OR
(segid " " and resid "30 " and name "HB2 ")
OR
(segid " " and resid "14 " and name "HD23")
OR
(segid " " and resid "14 " and name "HD22")
)
5.000 5.000 0.000 peak 8183 weight 0.10000E+01 volume 0.11400E+01 ppm1 8.149 ppm2 0.966
ASSI (
(segid " " and resid "31 " and name "HN ")
)(
(segid " " and resid "61 " and name "HB1 ")
OR
(segid " " and resid "30 " and name "HG ")
OR
(segid " " and resid "29 " and name "HB1 ")
OR
(segid " " and resid "28 " and name "HB2 ")
OR
(segid " " and resid "28 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8192 weight 0.10000E+01 volume 0.24300E+00 ppm1 8.740 ppm2 1.977
ASSI (
(segid " " and resid "31 " and name "HN ")
)(
(segid " " and resid "29 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8193 weight 0.10000E+01 volume 0.31700E+00 ppm1 8.744 ppm2 1.057
ASSI (
(segid " " and resid "31 " and name "HN ")
)(
(segid " " and resid "27 " and name "HA ")
)
6.000 6.000 0.000 peak 8194 weight 0.10000E+01 volume 0.48000E-01 ppm1 8.755 ppm2 3.661
ASSI (
(segid " " and resid "31 " and name "HN ")
)(
(segid " " and resid "29 " and name "HN ")
)
6.000 6.000 0.000 peak 8195 weight 0.10000E+01 volume 0.13300E+00 ppm1 8.747 ppm2 8.542
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "32 " and name "HA ")
OR
(segid " " and resid "31 " and name "HA ")
)
6.000 6.000 0.000 peak 8209 weight 0.10000E+01 volume 0.29500E+00 ppm1 7.544 ppm2 4.663
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "34 " and name "HA ")
OR
(segid " " and resid "28 " and name "HA ")
)
5.000 5.000 0.000 peak 8210 weight 0.10000E+01 volume 0.45400E+00 ppm1 7.543 ppm2 4.013
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "32 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8212 weight 0.10000E+01 volume 0.59400E+00 ppm1 7.539 ppm2 2.075
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "33 " and name "HG2 ")
OR
(segid " " and resid "32 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8213 weight 0.10000E+01 volume 0.16040E+01 ppm1 7.546 ppm2 2.206
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "33 " and name "HG1 ")
OR
(segid " " and resid "33 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8215 weight 0.10000E+01 volume 0.13980E+01 ppm1 7.546 ppm2 2.303
ASSI (
(segid " " and resid "33 " and name "HN ")
)(
(segid " " and resid "33 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8216 weight 0.10000E+01 volume 0.69200E+00 ppm1 7.546 ppm2 2.425
ASSI (
(segid " " and resid "34 " and name "HN ")
)(
(segid " " and resid "30 " and name "HA ")
)
6.000 6.000 0.000 peak 8219 weight 0.10000E+01 volume 0.20700E+00 ppm1 6.811 ppm2 4.251
ASSI (
(segid " " and resid "34 " and name "HN ")
)(
(segid " " and resid "35 " and name "HB ")
OR
(segid " " and resid "34 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8220 weight 0.10000E+01 volume 0.26100E+00 ppm1 6.813 ppm2 1.604
ASSI (
(segid " " and resid "34 " and name "HN ")
)(
(segid " " and resid "34 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8221 weight 0.10000E+01 volume 0.21400E+00 ppm1 6.817 ppm2 1.966
ASSI (
(segid " " and resid "34 " and name "HN ")
)(
(segid " " and resid "35 " and name "HG22")
OR
(segid " " and resid "35 " and name "HG13")
OR
(segid " " and resid "35 " and name "HG11")
OR
(segid " " and resid "34 " and name "HD13")
OR
(segid " " and resid "34 " and name "HD12")
OR
(segid " " and resid "34 " and name "HD11")
)
6.000 6.000 0.000 peak 8222 weight 0.10000E+01 volume 0.25800E+00 ppm1 6.815 ppm2 0.948
ASSI (
(segid " " and resid "36 " and name "HN ")
)(
(segid " " and resid "65 " and name "HG1 ")
OR
(segid " " and resid "38 " and name "HB2 ")
OR
(segid " " and resid "37 " and name "HD2 ")
)
6.000 6.000 0.000 peak 8235 weight 0.10000E+01 volume -0.11700E+00 ppm1 8.816 ppm2 2.564
ASSI (
(segid " " and resid "36 " and name "HN ")
)(
(segid " " and resid "35 " and name "HN ")
)
6.000 6.000 0.000 peak 8236 weight 0.10000E+01 volume -0.12700E+00 ppm1 8.817 ppm2 7.959
ASSI (
(segid " " and resid "36 " and name "HN ")
)(
(segid " " and resid "39 " and name "HB3 ")
OR
(segid " " and resid "39 " and name "HB2 ")
OR
(segid " " and resid "39 " and name "HB1 ")
OR
(segid " " and resid "14 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8237 weight 0.10000E+01 volume -0.27400E+00 ppm1 8.810 ppm2 1.389
ASSI (
(segid " " and resid "38 " and name "HN ")
)(
(segid " " and resid "37 " and name "HA ")
)
6.000 6.000 0.000 peak 8244 weight 0.10000E+01 volume 0.19200E+00 ppm1 10.206 ppm2 4.055
ASSI (
(segid " " and resid "38 " and name "HN ")
)(
(segid " " and resid "36 " and name "HA ")
)
6.000 6.000 0.000 peak 8245 weight 0.10000E+01 volume 0.69000E-01 ppm1 10.205 ppm2 4.366
ASSI (
(segid " " and resid "38 " and name "HN ")
)(
(segid " " and resid "37 " and name "HG1 ")
OR
(segid " " and resid "37 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8246 weight 0.10000E+01 volume 0.13400E+00 ppm1 10.208 ppm2 1.697
ASSI (
(segid " " and resid "39 " and name "HN ")
)(
(segid " " and resid "40 " and name "HN ")
OR
(segid " " and resid "15 " and name "HN ")
)
6.000 6.000 0.000 peak 8252 weight 0.10000E+01 volume 0.17300E+00 ppm1 7.860 ppm2 8.289
ASSI (
(segid " " and resid "39 " and name "HN ")
)(
(segid " " and resid "62 " and name "HD23")
OR
(segid " " and resid "62 " and name "HD22")
OR
(segid " " and resid "62 " and name "HD21")
OR
(segid " " and resid "40 " and name "HD13")
OR
(segid " " and resid "40 " and name "HD12")
OR
(segid " " and resid "40 " and name "HD11")
OR
(segid " " and resid "35 " and name "HG23")
OR
(segid " " and resid "35 " and name "HG22")
OR
(segid " " and resid "35 " and name "HG21")
OR
(segid " " and resid "35 " and name "HG13")
OR
(segid " " and resid "35 " and name "HG11")
OR
(segid " " and resid "14 " and name "HD23")
OR
(segid " " and resid "14 " and name "HD21")
)
5.000 5.000 0.000 peak 8253 weight 0.10000E+01 volume 0.52000E+00 ppm1 7.859 ppm2 0.930
ASSI (
(segid " " and resid "39 " and name "HN ")
)(
(segid " " and resid "35 " and name "HG21")
OR
(segid " " and resid "14 " and name "HD13")
OR
(segid " " and resid "14 " and name "HD12")
OR
(segid " " and resid "14 " and name "HD11")
)
5.000 5.000 0.000 peak 8254 weight 0.10000E+01 volume 0.56900E+00 ppm1 7.859 ppm2 0.984
ASSI (
(segid " " and resid "39 " and name "HN ")
)(
(segid " " and resid "41 " and name "HN ")
OR
(segid " " and resid "36 " and name "HN ")
OR
(segid " " and resid "11 " and name "HN ")
)
6.000 6.000 0.000 peak 8255 weight 0.10000E+01 volume 0.12000E+00 ppm1 7.868 ppm2 8.801
ASSI (
(segid " " and resid "39 " and name "HN ")
)(
(segid " " and resid "36 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8256 weight 0.10000E+01 volume 0.25500E+00 ppm1 7.866 ppm2 2.880
ASSI (
(segid " " and resid "40 " and name "HN ")
)(
(segid " " and resid "10 " and name "HG23")
OR
(segid " " and resid "10 " and name "HG22")
OR
(segid " " and resid "10 " and name "HG12")
OR
(segid " " and resid "10 " and name "HG11")
)
5.000 5.000 0.000 peak 8263 weight 0.10000E+01 volume 0.40800E+00 ppm1 8.305 ppm2 1.151
ASSI (
(segid " " and resid "40 " and name "HN ")
)(
(segid " " and resid "40 " and name "HG ")
OR
(segid " " and resid "40 " and name "HB1 ")
)
3.300 3.300 0.000 peak 8266 weight 0.10000E+01 volume 0.29800E+01 ppm1 8.300 ppm2 1.782
ASSI (
(segid " " and resid "42 " and name "HN ")
)(
(segid " " and resid "41 " and name "HA ")
)
5.000 5.000 0.000 peak 8283 weight 0.10000E+01 volume 0.63500E+00 ppm1 9.848 ppm2 4.483
ASSI (
(segid " " and resid "44 " and name "HN ")
)(
(segid " " and resid "40 " and name "HD13")
OR
(segid " " and resid "40 " and name "HD12")
OR
(segid " " and resid "40 " and name "HD11")
)
6.000 6.000 0.000 peak 8299 weight 0.10000E+01 volume 0.15000E+00 ppm1 8.494 ppm2 0.922
ASSI (
(segid " " and resid "44 " and name "HN ")
)(
(segid " " and resid "40 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8300 weight 0.10000E+01 volume 0.18600E+00 ppm1 8.497 ppm2 1.272
ASSI (
(segid " " and resid "44 " and name "HN ")
)(
(segid " " and resid "40 " and name "HA ")
)
5.000 5.000 0.000 peak 8301 weight 0.10000E+01 volume 0.10300E+01 ppm1 8.496 ppm2 4.284
ASSI (
(segid " " and resid "44 " and name "HN ")
)(
(segid " " and resid "43 " and name "HA ")
)
5.000 5.000 0.000 peak 8303 weight 0.10000E+01 volume 0.37000E+00 ppm1 8.490 ppm2 4.837
ASSI (
(segid " " and resid "45 " and name "HN ")
)(
(segid " " and resid "40 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8311 weight 0.10000E+01 volume 0.36300E+00 ppm1 7.453 ppm2 1.274
ASSI (
(segid " " and resid "46 " and name "HN ")
)(
(segid " " and resid "40 " and name "HD23")
OR
(segid " " and resid "40 " and name "HD22")
OR
(segid " " and resid "40 " and name "HD21")
)
6.000 6.000 0.000 peak 8322 weight 0.10000E+01 volume 0.15300E+00 ppm1 9.203 ppm2 0.671
ASSI (
(segid " " and resid "46 " and name "HN ")
)(
(segid " " and resid "45 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8323 weight 0.10000E+01 volume 0.42100E+00 ppm1 9.208 ppm2 1.859
ASSI (
(segid " " and resid "46 " and name "HN ")
)(
(segid " " and resid "49 " and name "HG1 ")
)
6.000 6.000 0.000 peak 8324 weight 0.10000E+01 volume 0.24400E+00 ppm1 9.211 ppm2 2.709
ASSI (
(segid " " and resid "46 " and name "HN ")
)(
(segid " " and resid "45 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8325 weight 0.10000E+01 volume 0.40600E+00 ppm1 9.203 ppm2 1.547
ASSI (
(segid " " and resid "46 " and name "HN ")
)(
(segid " " and resid "50 " and name "HG23")
OR
(segid " " and resid "50 " and name "HG22")
OR
(segid " " and resid "50 " and name "HG21")
OR
(segid " " and resid "50 " and name "HG13")
OR
(segid " " and resid "50 " and name "HG12")
)
6.000 6.000 0.000 peak 8326 weight 0.10000E+01 volume 0.20100E+00 ppm1 9.212 ppm2 0.857
ASSI (
(segid " " and resid "47 " and name "HN ")
)(
(segid " " and resid "47 " and name "HA ")
OR
(segid " " and resid "15 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8331 weight 0.10000E+01 volume 0.23900E+00 ppm1 10.265 ppm2 3.947
ASSI (
(segid " " and resid "48 " and name "HN ")
)(
(segid " " and resid "62 " and name "HD13")
OR
(segid " " and resid "62 " and name "HD12")
OR
(segid " " and resid "62 " and name "HD11")
)
5.000 5.000 0.000 peak 8335 weight 0.10000E+01 volume 0.59400E+00 ppm1 8.375 ppm2 0.671
ASSI (
(segid " " and resid "49 " and name "HN ")
)(
(segid " " and resid "51 " and name "HG2 ")
OR
(segid " " and resid "47 " and name "HB3 ")
OR
(segid " " and resid "47 " and name "HB2 ")
OR
(segid " " and resid "47 " and name "HB1 ")
OR
(segid " " and resid "46 " and name "HG23")
OR
(segid " " and resid "46 " and name "HG22")
OR
(segid " " and resid "46 " and name "HG21")
)
6.000 6.000 0.000 peak 8342 weight 0.10000E+01 volume 0.14800E+00 ppm1 7.385 ppm2 1.201
ASSI (
(segid " " and resid "49 " and name "HN ")
)(
(segid " " and resid "48 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8343 weight 0.10000E+01 volume 0.22600E+00 ppm1 7.384 ppm2 1.536
ASSI (
(segid " " and resid "49 " and name "HN ")
)(
(segid " " and resid "62 " and name "HB1 ")
OR
(segid " " and resid "45 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8344 weight 0.10000E+01 volume 0.21100E+00 ppm1 7.371 ppm2 1.867
ASSI (
(segid " " and resid "49 " and name "HN ")
)(
(segid " " and resid "71 " and name "HG13")
OR
(segid " " and resid "71 " and name "HG12")
OR
(segid " " and resid "71 " and name "HG11")
OR
(segid " " and resid "50 " and name "HG13")
OR
(segid " " and resid "50 " and name "HG12")
OR
(segid " " and resid "50 " and name "HG11")
OR
(segid " " and resid "48 " and name "HD23")
OR
(segid " " and resid "48 " and name "HD22")
OR
(segid " " and resid "48 " and name "HD12")
OR
(segid " " and resid "48 " and name "HD11")
)
5.000 5.000 0.000 peak 8345 weight 0.10000E+01 volume 0.64100E+00 ppm1 7.378 ppm2 0.840
ASSI (
(segid " " and resid "50 " and name "HN ")
)(
(segid " " and resid "49 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8355 weight 0.10000E+01 volume 0.31400E+00 ppm1 7.186 ppm2 2.572
ASSI (
(segid " " and resid "50 " and name "HN ")
)(
(segid " " and resid "49 " and name "HA ")
)
6.000 6.000 0.000 peak 8356 weight 0.10000E+01 volume 0.11100E+00 ppm1 7.183 ppm2 4.187
ASSI (
(segid " " and resid "50 " and name "HN ")
)(
(segid " " and resid "47 " and name "HA ")
OR
(segid " " and resid "15 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8357 weight 0.10000E+01 volume 0.27300E+00 ppm1 7.189 ppm2 3.950
ASSI (
(segid " " and resid "51 " and name "HN ")
)(
(segid " " and resid "18 " and name "HB3 ")
OR
(segid " " and resid "18 " and name "HB2 ")
OR
(segid " " and resid "18 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8363 weight 0.10000E+01 volume 0.51000E+00 ppm1 6.855 ppm2 1.317
ASSI (
(segid " " and resid "51 " and name "HN ")
)(
(segid " " and resid "48 " and name "HA ")
)
6.000 6.000 0.000 peak 8364 weight 0.10000E+01 volume 0.23600E+00 ppm1 6.845 ppm2 3.785
ASSI (
(segid " " and resid "52 " and name "HN ")
)(
(segid " " and resid "52 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8373 weight 0.10000E+01 volume 0.10870E+01 ppm1 7.135 ppm2 2.092
ASSI (
(segid " " and resid "52 " and name "HN ")
)(
(segid " " and resid "19 " and name "HB3 ")
OR
(segid " " and resid "19 " and name "HB2 ")
OR
(segid " " and resid "19 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8374 weight 0.10000E+01 volume 0.41100E+00 ppm1 7.131 ppm2 1.540
ASSI (
(segid " " and resid "52 " and name "HN ")
)(
(segid " " and resid "54 " and name "HN ")
OR
(segid " " and resid "21 " and name "HN ")
)
6.000 6.000 0.000 peak 8375 weight 0.10000E+01 volume 0.14500E+00 ppm1 7.133 ppm2 7.902
ASSI (
(segid " " and resid "52 " and name "HN ")
)(
(segid " " and resid "18 " and name "HB3 ")
OR
(segid " " and resid "18 " and name "HB2 ")
OR
(segid " " and resid "18 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8376 weight 0.10000E+01 volume 0.58200E+00 ppm1 7.129 ppm2 1.308
ASSI (
(segid " " and resid "53 " and name "HN ")
)(
(segid " " and resid "52 " and name "HE3 ")
OR
(segid " " and resid "52 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8381 weight 0.10000E+01 volume -0.31400E+00 ppm1 8.301 ppm2 2.137
ASSI (
(segid " " and resid "55 " and name "HN ")
)(
(segid " " and resid "56 " and name "HD2 ")
OR
(segid " " and resid "20 " and name "HD1 ")
)
6.000 6.000 0.000 peak 8393 weight 0.10000E+01 volume 0.15900E+00 ppm1 7.499 ppm2 3.372
ASSI (
(segid " " and resid "55 " and name "HN ")
)(
(segid " " and resid "52 " and name "HE3 ")
OR
(segid " " and resid "52 " and name "HE2 ")
OR
(segid " " and resid "52 " and name "HE1 ")
OR
(segid " " and resid "52 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8394 weight 0.10000E+01 volume 0.51700E+00 ppm1 7.500 ppm2 2.139
ASSI (
(segid " " and resid "55 " and name "HN ")
)(
(segid " " and resid "53 " and name "HN ")
)
6.000 6.000 0.000 peak 8395 weight 0.10000E+01 volume 0.27000E+00 ppm1 7.500 ppm2 8.312
ASSI (
(segid " " and resid "57 " and name "HN ")
)(
(segid " " and resid "56 " and name "HD1 ")
OR
(segid " " and resid "55 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8402 weight 0.10000E+01 volume 0.39000E+00 ppm1 8.048 ppm2 3.983
ASSI (
(segid " " and resid "57 " and name "HN ")
)(
(segid " " and resid "94 " and name "HG22")
OR
(segid " " and resid "58 " and name "HG23")
OR
(segid " " and resid "58 " and name "HG22")
OR
(segid " " and resid "58 " and name "HG21")
OR
(segid " " and resid "58 " and name "HG13")
OR
(segid " " and resid "58 " and name "HG11")
OR
(segid " " and resid "23 " and name "HG23")
OR
(segid " " and resid "23 " and name "HG22")
OR
(segid " " and resid "23 " and name "HG21")
OR
(segid " " and resid "23 " and name "HG13")
OR
(segid " " and resid "23 " and name "HG12")
OR
(segid " " and resid "23 " and name "HG11")
)
5.000 5.000 0.000 peak 8403 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.048 ppm2 0.944
ASSI (
(segid " " and resid "57 " and name "HN ")
)(
(segid " " and resid "55 " and name "HA ")
)
6.000 6.000 0.000 peak 8404 weight 0.10000E+01 volume 0.14900E+00 ppm1 8.044 ppm2 5.060
ASSI (
(segid " " and resid "57 " and name "HN ")
)(
(segid " " and resid "56 " and name "HA ")
)
6.000 6.000 0.000 peak 8406 weight 0.10000E+01 volume 0.21400E+00 ppm1 8.046 ppm2 4.300
ASSI (
(segid " " and resid "58 " and name "HN ")
)(
(segid " " and resid "62 " and name "HG ")
OR
(segid " " and resid "51 " and name "HE3 ")
OR
(segid " " and resid "51 " and name "HE2 ")
OR
(segid " " and resid "51 " and name "HE1 ")
OR
(segid " " and resid "27 " and name "HG1 ")
)
6.000 6.000 0.000 peak 8413 weight 0.10000E+01 volume 0.24200E+00 ppm1 7.804 ppm2 1.679
ASSI (
(segid " " and resid "59 " and name "HN ")
)(
(segid " " and resid "58 " and name "HG22")
OR
(segid " " and resid "58 " and name "HG21")
OR
(segid " " and resid "58 " and name "HG12")
OR
(segid " " and resid "58 " and name "HG11")
)
5.000 5.000 0.000 peak 8421 weight 0.10000E+01 volume 0.12750E+01 ppm1 7.066 ppm2 0.959
ASSI (
(segid " " and resid "59 " and name "HN ")
)(
(segid " " and resid "51 " and name "HE3 ")
OR
(segid " " and resid "51 " and name "HE2 ")
OR
(segid " " and resid "51 " and name "HE1 ")
)
6.000 6.000 0.000 peak 8422 weight 0.10000E+01 volume 0.26200E+00 ppm1 7.072 ppm2 1.684
ASSI (
(segid " " and resid "59 " and name "HN ")
)(
(segid " " and resid "91 " and name "HG23")
OR
(segid " " and resid "91 " and name "HG22")
OR
(segid " " and resid "91 " and name "HG21")
)
6.000 6.000 0.000 peak 8423 weight 0.10000E+01 volume 0.26500E+00 ppm1 7.069 ppm2 1.152
ASSI (
(segid " " and resid "59 " and name "HN ")
)(
(segid " " and resid "57 " and name "HB3 ")
OR
(segid " " and resid "57 " and name "HB2 ")
OR
(segid " " and resid "57 " and name "HB1 ")
OR
(segid " " and resid "51 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8424 weight 0.10000E+01 volume 0.38000E+00 ppm1 7.064 ppm2 1.427
ASSI (
(segid " " and resid "60 " and name "HN ")
)(
(segid " " and resid "94 " and name "HG23")
OR
(segid " " and resid "94 " and name "HG22")
OR
(segid " " and resid "94 " and name "HG21")
OR
(segid " " and resid "60 " and name "HD21")
OR
(segid " " and resid "60 " and name "HD12")
)
5.000 5.000 0.000 peak 8436 weight 0.10000E+01 volume 0.18740E+01 ppm1 8.386 ppm2 0.958
ASSI (
(segid " " and resid "61 " and name "HN ")
)(
(segid " " and resid "60 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8441 weight 0.10000E+01 volume 0.58800E+00 ppm1 7.636 ppm2 1.637
ASSI (
(segid " " and resid "61 " and name "HN ")
)(
(segid " " and resid "94 " and name "HG23")
OR
(segid " " and resid "60 " and name "HD23")
OR
(segid " " and resid "60 " and name "HD22")
OR
(segid " " and resid "60 " and name "HD21")
OR
(segid " " and resid "60 " and name "HD13")
OR
(segid " " and resid "60 " and name "HD12")
OR
(segid " " and resid "60 " and name "HD11")
OR
(segid " " and resid "58 " and name "HG12")
OR
(segid " " and resid "26 " and name "HG13")
OR
(segid " " and resid "26 " and name "HG12")
OR
(segid " " and resid "26 " and name "HG11")
)
5.000 5.000 0.000 peak 8443 weight 0.10000E+01 volume 0.61400E+00 ppm1 7.634 ppm2 0.944
ASSI (
(segid " " and resid "62 " and name "HN ")
)(
(segid " " and resid "62 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8452 weight 0.10000E+01 volume 0.78500E+00 ppm1 7.504 ppm2 1.151
ASSI (
(segid " " and resid "62 " and name "HN ")
)(
(segid " " and resid "63 " and name "HD21")
OR
(segid " " and resid "48 " and name "HD23")
OR
(segid " " and resid "48 " and name "HD22")
OR
(segid " " and resid "48 " and name "HD21")
OR
(segid " " and resid "30 " and name "HD23")
OR
(segid " " and resid "30 " and name "HD21")
OR
(segid " " and resid "26 " and name "HG23")
OR
(segid " " and resid "26 " and name "HG22")
OR
(segid " " and resid "26 " and name "HG21")
)
5.000 5.000 0.000 peak 8453 weight 0.10000E+01 volume 0.70500E+00 ppm1 7.509 ppm2 0.807
ASSI (
(segid " " and resid "62 " and name "HN ")
)(
(segid " " and resid "62 " and name "HD23")
OR
(segid " " and resid "62 " and name "HD22")
OR
(segid " " and resid "62 " and name "HD21")
)
5.000 5.000 0.000 peak 8454 weight 0.10000E+01 volume 0.83600E+00 ppm1 7.499 ppm2 0.914
ASSI (
(segid " " and resid "62 " and name "HN ")
)(
(segid " " and resid "62 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8455 weight 0.10000E+01 volume 0.72800E+00 ppm1 7.505 ppm2 1.204
ASSI (
(segid " " and resid "62 " and name "HN ")
)(
(segid " " and resid "61 " and name "HB2 ")
OR
(segid " " and resid "61 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8456 weight 0.10000E+01 volume 0.91700E+00 ppm1 7.506 ppm2 1.967
ASSI (
(segid " " and resid "62 " and name "HN ")
)(
(segid " " and resid "62 " and name "HD13")
OR
(segid " " and resid "62 " and name "HD12")
OR
(segid " " and resid "30 " and name "HD13")
OR
(segid " " and resid "30 " and name "HD12")
OR
(segid " " and resid "30 " and name "HD11")
)
5.000 5.000 0.000 peak 8459 weight 0.10000E+01 volume 0.57600E+00 ppm1 7.510 ppm2 0.673
ASSI (
(segid " " and resid "63 " and name "HN ")
)(
(segid " " and resid "63 " and name "HB1 ")
OR
(segid " " and resid "62 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8464 weight 0.10000E+01 volume 0.12760E+01 ppm1 8.594 ppm2 1.207
ASSI (
(segid " " and resid "63 " and name "HN ")
)(
(segid " " and resid "63 " and name "HD21")
OR
(segid " " and resid "63 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8468 weight 0.10000E+01 volume 0.17940E+01 ppm1 8.593 ppm2 0.849
ASSI (
(segid " " and resid "64 " and name "HN ")
)(
(segid " " and resid "60 " and name "HD23")
OR
(segid " " and resid "60 " and name "HD22")
OR
(segid " " and resid "60 " and name "HD21")
OR
(segid " " and resid "60 " and name "HD13")
OR
(segid " " and resid "60 " and name "HD12")
)
5.000 5.000 0.000 peak 8473 weight 0.10000E+01 volume 0.53800E+00 ppm1 8.961 ppm2 0.958
ASSI (
(segid " " and resid "64 " and name "HN ")
)(
(segid " " and resid "60 " and name "HA ")
)
6.000 6.000 0.000 peak 8474 weight 0.10000E+01 volume 0.20800E+00 ppm1 8.954 ppm2 3.652
ASSI (
(segid " " and resid "64 " and name "HN ")
)(
(segid " " and resid "66 " and name "HN ")
OR
(segid " " and resid "61 " and name "HN ")
)
6.000 6.000 0.000 peak 8475 weight 0.10000E+01 volume 0.14500E+00 ppm1 8.953 ppm2 7.636
ASSI (
(segid " " and resid "64 " and name "HN ")
)(
(segid " " and resid "63 " and name "HA ")
OR
(segid " " and resid "61 " and name "HA ")
)
5.000 5.000 0.000 peak 8476 weight 0.10000E+01 volume 0.38700E+00 ppm1 8.952 ppm2 3.878
ASSI (
(segid " " and resid "64 " and name "HN ")
)(
(segid " " and resid "63 " and name "HA ")
OR
(segid " " and resid "61 " and name "HA ")
)
5.000 5.000 0.000 peak 8478 weight 0.10000E+01 volume 0.39500E+00 ppm1 8.952 ppm2 3.901
ASSI (
(segid " " and resid "65 " and name "HN ")
)(
(segid " " and resid "66 " and name "HA2 ")
OR
(segid " " and resid "62 " and name "HA ")
)
6.000 6.000 0.000 peak 8488 weight 0.10000E+01 volume 0.14000E+00 ppm1 7.003 ppm2 3.754
ASSI (
(segid " " and resid "65 " and name "HN ")
)(
(segid " " and resid "64 " and name "HA ")
)
5.000 5.000 0.000 peak 8489 weight 0.10000E+01 volume 0.35200E+00 ppm1 7.006 ppm2 4.095
ASSI (
(segid " " and resid "65 " and name "HN ")
)(
(segid " " and resid "30 " and name "HD13")
OR
(segid " " and resid "30 " and name "HD12")
OR
(segid " " and resid "30 " and name "HD11")
)
6.000 6.000 0.000 peak 8490 weight 0.10000E+01 volume 0.20600E+00 ppm1 7.002 ppm2 0.674
ASSI (
(segid " " and resid "65 " and name "HN ")
)(
(segid " " and resid "64 " and name "HD2 ")
OR
(segid " " and resid "64 " and name "HG2 ")
OR
(segid " " and resid "64 " and name "HG1 ")
OR
(segid " " and resid "37 " and name "HG1 ")
)
6.000 6.000 0.000 peak 8491 weight 0.10000E+01 volume 0.24400E+00 ppm1 7.005 ppm2 1.654
ASSI (
(segid " " and resid "65 " and name "HE21")
)(
(segid " " and resid "65 " and name "HE22")
)
2.700 2.700 0.000 peak 8501 weight 0.10000E+01 volume 0.94450E+01 ppm1 7.286 ppm2 6.796
ASSI (
(segid " " and resid "65 " and name "HE21")
)(
(segid " " and resid "65 " and name "HG1 ")
OR
(segid " " and resid "37 " and name "HD2 ")
)
5.000 5.000 0.000 peak 8503 weight 0.10000E+01 volume 0.42400E+00 ppm1 7.279 ppm2 2.563
ASSI (
(segid " " and resid "65 " and name "HE21")
)(
(segid " " and resid "65 " and name "HG2 ")
)
5.000 5.000 0.000 peak 8504 weight 0.10000E+01 volume 0.38600E+00 ppm1 7.276 ppm2 2.456
ASSI (
(segid " " and resid "65 " and name "HE22")
)(
(segid " " and resid "65 " and name "HE21")
)
2.700 2.700 0.000 peak 8505 weight 0.10000E+01 volume 0.14511E+02 ppm1 6.794 ppm2 7.285
ASSI (
(segid " " and resid "66 " and name "HN ")
)(
(segid " " and resid "65 " and name "HN ")
)
5.000 5.000 0.000 peak 8508 weight 0.10000E+01 volume -0.10560E+01 ppm1 7.594 ppm2 6.994
ASSI (
(segid " " and resid "67 " and name "HN ")
)(
(segid " " and resid "63 " and name "HA ")
)
5.000 5.000 0.000 peak 8510 weight 0.10000E+01 volume 0.19330E+01 ppm1 8.027 ppm2 3.897
ASSI (
(segid " " and resid "67 " and name "HN ")
)(
(segid " " and resid "37 " and name "HG1 ")
OR
(segid " " and resid "37 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8511 weight 0.10000E+01 volume 0.12440E+01 ppm1 8.025 ppm2 1.678
ASSI (
(segid " " and resid "67 " and name "HN ")
)(
(segid " " and resid "63 " and name "HD23")
OR
(segid " " and resid "63 " and name "HD22")
OR
(segid " " and resid "63 " and name "HD21")
OR
(segid " " and resid "62 " and name "HD23")
OR
(segid " " and resid "62 " and name "HD22")
OR
(segid " " and resid "62 " and name "HD21")
OR
(segid " " and resid "48 " and name "HD12")
)
5.000 5.000 0.000 peak 8512 weight 0.10000E+01 volume 0.85000E+00 ppm1 8.031 ppm2 0.851
ASSI (
(segid " " and resid "68 " and name "HN ")
)(
(segid " " and resid "68 " and name "HB2 ")
OR
(segid " " and resid "68 " and name "HB1 ")
OR
(segid " " and resid "67 " and name "HA ")
)
3.300 3.300 0.000 peak 8519 weight 0.10000E+01 volume 0.36540E+01 ppm1 10.195 ppm2 4.020
ASSI (
(segid " " and resid "68 " and name "HN ")
)(
(segid " " and resid "68 " and name "HB2 ")
OR
(segid " " and resid "68 " and name "HB1 ")
)
3.300 3.300 0.000 peak 8521 weight 0.10000E+01 volume 0.35800E+01 ppm1 10.196 ppm2 3.973
ASSI (
(segid " " and resid "70 " and name "HN ")
)(
(segid " " and resid "71 " and name "HG13")
OR
(segid " " and resid "71 " and name "HG12")
OR
(segid " " and resid "71 " and name "HG11")
OR
(segid " " and resid "48 " and name "HD13")
OR
(segid " " and resid "48 " and name "HD11")
)
5.000 5.000 0.000 peak 8522 weight 0.10000E+01 volume 0.74400E+00 ppm1 7.985 ppm2 0.834
ASSI (
(segid " " and resid "70 " and name "HN ")
)(
(segid " " and resid "71 " and name "HG23")
OR
(segid " " and resid "71 " and name "HG22")
OR
(segid " " and resid "71 " and name "HG21")
)
5.000 5.000 0.000 peak 8523 weight 0.10000E+01 volume 0.77800E+00 ppm1 7.985 ppm2 0.919
ASSI (
(segid " " and resid "70 " and name "HN ")
)(
(segid " " and resid "71 " and name "HN ")
OR
(segid " " and resid "70 " and name "HD22")
)
5.000 5.000 0.000 peak 8524 weight 0.10000E+01 volume 0.78400E+00 ppm1 7.985 ppm2 6.884
ASSI (
(segid " " and resid "70 " and name "HN ")
)(
(segid " " and resid "68 " and name "HB2 ")
OR
(segid " " and resid "68 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8526 weight 0.10000E+01 volume 0.83800E+00 ppm1 7.980 ppm2 3.973
ASSI (
(segid " " and resid "70 " and name "HN ")
)(
(segid " " and resid "69 " and name "HG2 ")
)
5.000 5.000 0.000 peak 8527 weight 0.10000E+01 volume 0.58100E+00 ppm1 7.981 ppm2 1.820
ASSI (
(segid " " and resid "70 " and name "HN ")
)(
(segid " " and resid "69 " and name "HD2 ")
OR
(segid " " and resid "69 " and name "HD1 ")
)
5.000 5.000 0.000 peak 8528 weight 0.10000E+01 volume 0.10610E+01 ppm1 7.981 ppm2 4.095
ASSI (
(segid " " and resid "70 " and name "HD22")
)(
(segid " " and resid "101 " and name "HB1 ")
OR
(segid " " and resid "70 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8533 weight 0.10000E+01 volume 0.49300E+00 ppm1 6.882 ppm2 2.800
ASSI (
(segid " " and resid "70 " and name "HD22")
)(
(segid " " and resid "70 " and name "HD21")
)
3.300 3.300 0.000 peak 8535 weight 0.10000E+01 volume 0.29340E+01 ppm1 6.884 ppm2 7.864
ASSI (
(segid " " and resid "71 " and name "HN ")
)(
(segid " " and resid "78 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8536 weight 0.10000E+01 volume 0.59800E+00 ppm1 6.892 ppm2 4.418
ASSI (
(segid " " and resid "71 " and name "HN ")
)(
(segid " " and resid "78 " and name "HA ")
)
6.000 6.000 0.000 peak 8537 weight 0.10000E+01 volume 0.89000E-01 ppm1 6.876 ppm2 5.831
ASSI (
(segid " " and resid "72 " and name "HE21")
)(
(segid " " and resid "72 " and name "HG2 ")
OR
(segid " " and resid "72 " and name "HG1 ")
)
5.000 5.000 0.000 peak 8557 weight 0.10000E+01 volume 0.11520E+01 ppm1 7.809 ppm2 2.250
ASSI (
(segid " " and resid "72 " and name "HE21")
)(
(segid " " and resid "72 " and name "HE22")
)
2.700 2.700 0.000 peak 8558 weight 0.10000E+01 volume 0.13421E+02 ppm1 7.807 ppm2 6.729
ASSI (
(segid " " and resid "72 " and name "HE22")
)(
(segid " " and resid "72 " and name "HE21")
)
2.700 2.700 0.000 peak 8559 weight 0.10000E+01 volume 0.12962E+02 ppm1 6.730 ppm2 7.805
ASSI (
(segid " " and resid "77 " and name "HN ")
)(
(segid " " and resid "77 " and name "HB ")
OR
(segid " " and resid "76 " and name "HA1 ")
)
3.300 3.300 0.000 peak 8578 weight 0.10000E+01 volume 0.33270E+01 ppm1 8.154 ppm2 4.247
ASSI (
(segid " " and resid "77 " and name "HN ")
)(
(segid " " and resid "77 " and name "HA ")
OR
(segid " " and resid "76 " and name "HA2 ")
)
5.000 5.000 0.000 peak 8579 weight 0.10000E+01 volume 0.14280E+01 ppm1 8.151 ppm2 3.781
ASSI (
(segid " " and resid "80 " and name "HN ")
)(
(segid " " and resid "80 " and name "HG13")
OR
(segid " " and resid "80 " and name "HG12")
OR
(segid " " and resid "80 " and name "HG11")
)
3.300 3.300 0.000 peak 8591 weight 0.10000E+01 volume 0.34450E+01 ppm1 8.463 ppm2 0.886
ASSI (
(segid " " and resid "80 " and name "HN ")
)(
(segid " " and resid "78 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8592 weight 0.10000E+01 volume 0.26600E+00 ppm1 8.461 ppm2 4.440
ASSI (
(segid " " and resid "80 " and name "HN ")
)(
(segid " " and resid "79 " and name "HD2 ")
OR
(segid " " and resid "78 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8593 weight 0.10000E+01 volume 0.78300E+00 ppm1 8.462 ppm2 4.298
ASSI (
(segid " " and resid "80 " and name "HN ")
)(
(segid " " and resid "80 " and name "HG23")
OR
(segid " " and resid "80 " and name "HG22")
)
3.300 3.300 0.000 peak 8594 weight 0.10000E+01 volume 0.30860E+01 ppm1 8.464 ppm2 0.810
ASSI (
(segid " " and resid "80 " and name "HN ")
)(
(segid " " and resid "79 " and name "HG2 ")
OR
(segid " " and resid "79 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8595 weight 0.10000E+01 volume 0.17830E+01 ppm1 8.463 ppm2 1.984
ASSI (
(segid " " and resid "81 " and name "HN ")
)(
(segid " " and resid "79 " and name "HD2 ")
OR
(segid " " and resid "78 " and name "HB2 ")
OR
(segid " " and resid "77 " and name "HB ")
)
6.000 6.000 0.000 peak 8600 weight 0.10000E+01 volume 0.26600E+00 ppm1 7.711 ppm2 4.291
ASSI (
(segid " " and resid "81 " and name "HN ")
)(
(segid " " and resid "115 " and name "HD13")
OR
(segid " " and resid "115 " and name "HD12")
OR
(segid " " and resid "77 " and name "HG23")
OR
(segid " " and resid "77 " and name "HG22")
OR
(segid " " and resid "77 " and name "HG21")
)
5.000 5.000 0.000 peak 8601 weight 0.10000E+01 volume 0.62800E+00 ppm1 7.715 ppm2 1.238
ASSI (
(segid " " and resid "81 " and name "HN ")
)(
(segid " " and resid "78 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8602 weight 0.10000E+01 volume 0.40400E+00 ppm1 7.711 ppm2 4.461
ASSI (
(segid " " and resid "81 " and name "HN ")
)(
(segid " " and resid "80 " and name "HA ")
)
5.000 5.000 0.000 peak 8605 weight 0.10000E+01 volume 0.96500E+00 ppm1 7.711 ppm2 3.688
ASSI (
(segid " " and resid "81 " and name "HN ")
)(
(segid " " and resid "80 " and name "HG22")
OR
(segid " " and resid "80 " and name "HG13")
OR
(segid " " and resid "80 " and name "HG12")
OR
(segid " " and resid "80 " and name "HG11")
)
5.000 5.000 0.000 peak 8606 weight 0.10000E+01 volume 0.10700E+01 ppm1 7.716 ppm2 0.863
ASSI (
(segid " " and resid "82 " and name "HN ")
)(
(segid " " and resid "81 " and name "HA ")
)
5.000 5.000 0.000 peak 8617 weight 0.10000E+01 volume 0.71200E+00 ppm1 7.365 ppm2 3.868
ASSI (
(segid " " and resid "82 " and name "HN ")
)(
(segid " " and resid "77 " and name "HG23")
OR
(segid " " and resid "77 " and name "HG22")
OR
(segid " " and resid "77 " and name "HG21")
)
5.000 5.000 0.000 peak 8618 weight 0.10000E+01 volume 0.76600E+00 ppm1 7.362 ppm2 1.240
ASSI (
(segid " " and resid "83 " and name "HN ")
)(
(segid " " and resid "80 " and name "HA ")
)
5.000 5.000 0.000 peak 8627 weight 0.10000E+01 volume 0.48200E+00 ppm1 8.757 ppm2 3.665
ASSI (
(segid " " and resid "83 " and name "HN ")
)(
(segid " " and resid "82 " and name "HA ")
)
6.000 6.000 0.000 peak 8628 weight 0.10000E+01 volume 0.28900E+00 ppm1 8.752 ppm2 4.460
ASSI (
(segid " " and resid "84 " and name "HN ")
)(
(segid " " and resid "80 " and name "HA ")
)
6.000 6.000 0.000 peak 8635 weight 0.10000E+01 volume 0.29200E+00 ppm1 7.848 ppm2 3.682
ASSI (
(segid " " and resid "84 " and name "HN ")
)(
(segid " " and resid "128 " and name "HG ")
OR
(segid " " and resid "115 " and name "HG ")
OR
(segid " " and resid "92 " and name "HB1 ")
OR
(segid " " and resid "85 " and name "HB2 ")
OR
(segid " " and resid "85 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8636 weight 0.10000E+01 volume 0.49100E+00 ppm1 7.836 ppm2 2.053
ASSI (
(segid " " and resid "85 " and name "HN ")
)(
(segid " " and resid "124 " and name "HG23")
OR
(segid " " and resid "124 " and name "HG22")
OR
(segid " " and resid "124 " and name "HG21")
OR
(segid " " and resid "124 " and name "HG13")
OR
(segid " " and resid "124 " and name "HG12")
OR
(segid " " and resid "124 " and name "HG11")
OR
(segid " " and resid "92 " and name "HD23")
OR
(segid " " and resid "92 " and name "HD22")
OR
(segid " " and resid "92 " and name "HD21")
OR
(segid " " and resid "92 " and name "HD13")
OR
(segid " " and resid "92 " and name "HD12")
OR
(segid " " and resid "92 " and name "HD11")
)
6.000 6.000 0.000 peak 8643 weight 0.10000E+01 volume 0.22800E+00 ppm1 8.635 ppm2 0.964
ASSI (
(segid " " and resid "85 " and name "HN ")
)(
(segid " " and resid "86 " and name "HG23")
OR
(segid " " and resid "86 " and name "HG22")
OR
(segid " " and resid "86 " and name "HG21")
OR
(segid " " and resid "83 " and name "HB3 ")
OR
(segid " " and resid "83 " and name "HB2 ")
OR
(segid " " and resid "83 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8644 weight 0.10000E+01 volume 0.71600E+00 ppm1 8.640 ppm2 1.340
ASSI (
(segid " " and resid "85 " and name "HN ")
)(
(segid " " and resid "85 " and name "HG2 ")
)
5.000 5.000 0.000 peak 8645 weight 0.10000E+01 volume 0.32400E+00 ppm1 8.637 ppm2 1.612
ASSI (
(segid " " and resid "87 " and name "HN ")
)(
(segid " " and resid "121 " and name "HD2 ")
)
5.000 5.000 0.000 peak 8661 weight 0.10000E+01 volume 0.46300E+00 ppm1 7.098 ppm2 7.267
ASSI (
(segid " " and resid "87 " and name "HN ")
)(
(segid " " and resid "124 " and name "HG23")
OR
(segid " " and resid "124 " and name "HG22")
OR
(segid " " and resid "124 " and name "HG21")
OR
(segid " " and resid "124 " and name "HG13")
OR
(segid " " and resid "124 " and name "HG12")
OR
(segid " " and resid "92 " and name "HD13")
OR
(segid " " and resid "92 " and name "HD12")
OR
(segid " " and resid "92 " and name "HD11")
)
5.000 5.000 0.000 peak 8662 weight 0.10000E+01 volume 0.46200E+00 ppm1 7.094 ppm2 0.934
ASSI (
(segid " " and resid "88 " and name "HN ")
)(
(segid " " and resid "124 " and name "HG23")
OR
(segid " " and resid "124 " and name "HG22")
OR
(segid " " and resid "124 " and name "HG21")
OR
(segid " " and resid "92 " and name "HD13")
OR
(segid " " and resid "92 " and name "HD12")
)
6.000 6.000 0.000 peak 8670 weight 0.10000E+01 volume 0.26300E+00 ppm1 7.576 ppm2 0.959
ASSI (
(segid " " and resid "88 " and name "HN ")
)(
(segid " " and resid "92 " and name "HB2 ")
OR
(segid " " and resid "86 " and name "HG22")
OR
(segid " " and resid "83 " and name "HB3 ")
OR
(segid " " and resid "83 " and name "HB2 ")
OR
(segid " " and resid "83 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8671 weight 0.10000E+01 volume 0.28400E+00 ppm1 7.578 ppm2 1.319
ASSI (
(segid " " and resid "88 " and name "HN ")
)(
(segid " " and resid "124 " and name "HA ")
OR
(segid " " and resid "83 " and name "HA ")
)
6.000 6.000 0.000 peak 8672 weight 0.10000E+01 volume 0.28100E+00 ppm1 7.583 ppm2 3.788
ASSI (
(segid " " and resid "89 " and name "HN ")
)(
(segid " " and resid "124 " and name "HG22")
OR
(segid " " and resid "124 " and name "HG21")
OR
(segid " " and resid "92 " and name "HD13")
OR
(segid " " and resid "92 " and name "HD12")
OR
(segid " " and resid "92 " and name "HD11")
)
5.000 5.000 0.000 peak 8681 weight 0.10000E+01 volume 0.34000E+00 ppm1 7.688 ppm2 0.938
ASSI (
(segid " " and resid "92 " and name "HN ")
)(
(segid " " and resid "93 " and name "HG2 ")
OR
(segid " " and resid "89 " and name "HD23")
OR
(segid " " and resid "89 " and name "HD22")
OR
(segid " " and resid "89 " and name "HD21")
)
6.000 6.000 0.000 peak 8703 weight 0.10000E+01 volume 0.21500E+00 ppm1 8.059 ppm2 0.605
ASSI (
(segid " " and resid "92 " and name "HN ")
)(
(segid " " and resid "95 " and name "HD22")
OR
(segid " " and resid "92 " and name "HD23")
OR
(segid " " and resid "92 " and name "HD22")
OR
(segid " " and resid "92 " and name "HD21")
OR
(segid " " and resid "92 " and name "HD12")
)
5.000 5.000 0.000 peak 8704 weight 0.10000E+01 volume 0.76700E+00 ppm1 8.060 ppm2 0.970
ASSI (
(segid " " and resid "92 " and name "HN ")
)(
(segid " " and resid "91 " and name "HA ")
OR
(segid " " and resid "89 " and name "HA ")
)
5.000 5.000 0.000 peak 8705 weight 0.10000E+01 volume 0.10550E+01 ppm1 8.051 ppm2 3.737
ASSI (
(segid " " and resid "93 " and name "HN ")
)(
(segid " " and resid "93 " and name "HD2 ")
)
5.000 5.000 0.000 peak 8712 weight 0.10000E+01 volume 0.83700E+00 ppm1 8.579 ppm2 1.427
ASSI (
(segid " " and resid "93 " and name "HN ")
)(
(segid " " and resid "92 " and name "HD23")
OR
(segid " " and resid "92 " and name "HD22")
OR
(segid " " and resid "92 " and name "HD21")
OR
(segid " " and resid "92 " and name "HD11")
)
5.000 5.000 0.000 peak 8713 weight 0.10000E+01 volume 0.57600E+00 ppm1 8.582 ppm2 0.968
ASSI (
(segid " " and resid "94 " and name "HN ")
)(
(segid " " and resid "97 " and name "HG2 ")
OR
(segid " " and resid "92 " and name "HB1 ")
OR
(segid " " and resid "56 " and name "HG1 ")
)
6.000 6.000 0.000 peak 8724 weight 0.10000E+01 volume 0.18300E+00 ppm1 7.377 ppm2 2.084
ASSI (
(segid " " and resid "94 " and name "HN ")
)(
(segid " " and resid "95 " and name "HA ")
OR
(segid " " and resid "92 " and name "HA ")
)
6.000 6.000 0.000 peak 8725 weight 0.10000E+01 volume 0.17800E+00 ppm1 7.384 ppm2 3.895
ASSI (
(segid " " and resid "94 " and name "HN ")
)(
(segid " " and resid "90 " and name "HA ")
OR
(segid " " and resid "56 " and name "HA ")
)
6.000 6.000 0.000 peak 8726 weight 0.10000E+01 volume 0.34000E-01 ppm1 7.376 ppm2 4.273
ASSI (
(segid " " and resid "94 " and name "HN ")
)(
(segid " " and resid "92 " and name "HB2 ")
OR
(segid " " and resid "83 " and name "HB2 ")
OR
(segid " " and resid "59 " and name "HB3 ")
OR
(segid " " and resid "59 " and name "HB2 ")
OR
(segid " " and resid "59 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8727 weight 0.10000E+01 volume 0.22700E+00 ppm1 7.378 ppm2 1.315
ASSI (
(segid " " and resid "94 " and name "HN ")
)(
(segid " " and resid "93 " and name "HA ")
OR
(segid " " and resid "91 " and name "HA ")
)
5.000 5.000 0.000 peak 8728 weight 0.10000E+01 volume 0.63600E+00 ppm1 7.382 ppm2 3.756
ASSI (
(segid " " and resid "94 " and name "HN ")
)(
(segid " " and resid "93 " and name "HA ")
OR
(segid " " and resid "91 " and name "HA ")
)
5.000 5.000 0.000 peak 8729 weight 0.10000E+01 volume 0.68400E+00 ppm1 7.382 ppm2 3.711
ASSI (
(segid " " and resid "94 " and name "HN ")
)(
(segid " " and resid "94 " and name "HB ")
)
3.300 3.300 0.000 peak 8735 weight 0.10000E+01 volume 0.22560E+01 ppm1 7.380 ppm2 2.259
ASSI (
(segid " " and resid "95 " and name "HN ")
)(
(segid " " and resid "94 " and name "HB ")
)
3.300 3.300 0.000 peak 8740 weight 0.10000E+01 volume 0.27550E+01 ppm1 8.083 ppm2 2.262
ASSI (
(segid " " and resid "96 " and name "HN ")
)(
(segid " " and resid "95 " and name "HD23")
OR
(segid " " and resid "95 " and name "HD22")
OR
(segid " " and resid "95 " and name "HD21")
)
5.000 5.000 0.000 peak 8748 weight 0.10000E+01 volume 0.59600E+00 ppm1 8.465 ppm2 0.956
ASSI (
(segid " " and resid "96 " and name "HN ")
)(
(segid " " and resid "95 " and name "HD23")
OR
(segid " " and resid "95 " and name "HD22")
OR
(segid " " and resid "95 " and name "HD21")
)
5.000 5.000 0.000 peak 8749 weight 0.10000E+01 volume 0.49800E+00 ppm1 8.460 ppm2 0.904
ASSI (
(segid " " and resid "96 " and name "HN ")
)(
(segid " " and resid "95 " and name "HA ")
OR
(segid " " and resid "92 " and name "HA ")
)
5.000 5.000 0.000 peak 8750 weight 0.10000E+01 volume 0.32700E+00 ppm1 8.465 ppm2 3.896
ASSI (
(segid " " and resid "96 " and name "HN ")
)(
(segid " " and resid "96 " and name "HA ")
OR
(segid " " and resid "93 " and name "HA ")
)
5.000 5.000 0.000 peak 8751 weight 0.10000E+01 volume 0.10310E+01 ppm1 8.465 ppm2 3.717
ASSI (
(segid " " and resid "96 " and name "HN ")
)(
(segid " " and resid "97 " and name "HB1 ")
OR
(segid " " and resid "95 " and name "HB1 ")
OR
(segid " " and resid "94 " and name "HB ")
)
5.000 5.000 0.000 peak 8752 weight 0.10000E+01 volume 0.17950E+01 ppm1 8.465 ppm2 2.251
ASSI (
(segid " " and resid "96 " and name "HN ")
)(
(segid " " and resid "100 " and name "HB2 ")
OR
(segid " " and resid "100 " and name "HB1 ")
OR
(segid " " and resid "96 " and name "HG23")
OR
(segid " " and resid "96 " and name "HG22")
OR
(segid " " and resid "96 " and name "HG21")
OR
(segid " " and resid "96 " and name "HG13")
OR
(segid " " and resid "95 " and name "HB2 ")
)
3.300 3.300 0.000 peak 8756 weight 0.10000E+01 volume 0.36450E+01 ppm1 8.462 ppm2 1.124
ASSI (
(segid " " and resid "97 " and name "HN ")
)(
(segid " " and resid "96 " and name "HA ")
OR
(segid " " and resid "93 " and name "HA ")
)
5.000 5.000 0.000 peak 8760 weight 0.10000E+01 volume 0.46700E+00 ppm1 8.795 ppm2 3.731
ASSI (
(segid " " and resid "97 " and name "HN ")
)(
(segid " " and resid "96 " and name "HG23")
OR
(segid " " and resid "96 " and name "HG13")
OR
(segid " " and resid "96 " and name "HG12")
OR
(segid " " and resid "96 " and name "HG11")
)
5.000 5.000 0.000 peak 8762 weight 0.10000E+01 volume 0.11920E+01 ppm1 8.806 ppm2 1.123
ASSI (
(segid " " and resid "98 " and name "HN ")
)(
(segid " " and resid "100 " and name "HB3 ")
OR
(segid " " and resid "100 " and name "HB2 ")
OR
(segid " " and resid "100 " and name "HB1 ")
OR
(segid " " and resid "96 " and name "HG23")
OR
(segid " " and resid "96 " and name "HG13")
OR
(segid " " and resid "96 " and name "HG12")
OR
(segid " " and resid "96 " and name "HG11")
OR
(segid " " and resid "95 " and name "HB2 ")
OR
(segid " " and resid "93 " and name "HG1 ")
)
5.000 5.000 0.000 peak 8769 weight 0.10000E+01 volume 0.44300E+00 ppm1 7.456 ppm2 1.123
ASSI (
(segid " " and resid "98 " and name "HN ")
)(
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
OR
(segid " " and resid "102 " and name "HG13")
OR
(segid " " and resid "102 " and name "HG12")
OR
(segid " " and resid "102 " and name "HG11")
OR
(segid " " and resid "80 " and name "HG21")
OR
(segid " " and resid "80 " and name "HG12")
OR
(segid " " and resid "63 " and name "HD23")
OR
(segid " " and resid "63 " and name "HD22")
OR
(segid " " and resid "63 " and name "HD21")
OR
(segid " " and resid "63 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8770 weight 0.10000E+01 volume 0.20300E+00 ppm1 7.464 ppm2 0.856
ASSI (
(segid " " and resid "98 " and name "HN ")
)(
(segid " " and resid "95 " and name "HD23")
OR
(segid " " and resid "95 " and name "HD22")
OR
(segid " " and resid "95 " and name "HD21")
OR
(segid " " and resid "94 " and name "HG23")
OR
(segid " " and resid "94 " and name "HG22")
OR
(segid " " and resid "94 " and name "HG21")
OR
(segid " " and resid "92 " and name "HD22")
OR
(segid " " and resid "92 " and name "HD21")
OR
(segid " " and resid "92 " and name "HD11")
OR
(segid " " and resid "60 " and name "HD23")
OR
(segid " " and resid "60 " and name "HD13")
OR
(segid " " and resid "60 " and name "HD12")
)
6.000 6.000 0.000 peak 8771 weight 0.10000E+01 volume 0.17100E+00 ppm1 7.465 ppm2 0.965
ASSI (
(segid " " and resid "98 " and name "HN ")
)(
(segid " " and resid "99 " and name "HA2 ")
OR
(segid " " and resid "95 " and name "HA ")
)
5.000 5.000 0.000 peak 8772 weight 0.10000E+01 volume 0.61000E+00 ppm1 7.465 ppm2 3.884
ASSI (
(segid " " and resid "99 " and name "HN ")
)(
(segid " " and resid "100 " and name "HB3 ")
OR
(segid " " and resid "100 " and name "HB2 ")
OR
(segid " " and resid "100 " and name "HB1 ")
OR
(segid " " and resid "96 " and name "HG22")
OR
(segid " " and resid "96 " and name "HG12")
OR
(segid " " and resid "96 " and name "HG11")
OR
(segid " " and resid "95 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8783 weight 0.10000E+01 volume -0.52400E+00 ppm1 7.634 ppm2 1.122
ASSI (
(segid " " and resid "99 " and name "HN ")
)(
(segid " " and resid "97 " and name "HA ")
OR
(segid " " and resid "69 " and name "HD2 ")
OR
(segid " " and resid "69 " and name "HD1 ")
)
5.000 5.000 0.000 peak 8784 weight 0.10000E+01 volume -0.41300E+00 ppm1 7.631 ppm2 4.112
ASSI (
(segid " " and resid "100 " and name "HN ")
)(
(segid " " and resid "98 " and name "HB1 ")
OR
(segid " " and resid "96 " and name "HA ")
)
5.000 5.000 0.000 peak 8790 weight 0.10000E+01 volume 0.19200E+01 ppm1 8.263 ppm2 3.761
ASSI (
(segid " " and resid "101 " and name "HN ")
)(
(segid " " and resid "70 " and name "HD22")
)
5.000 5.000 0.000 peak 8797 weight 0.10000E+01 volume 0.31100E+00 ppm1 8.959 ppm2 6.882
ASSI (
(segid " " and resid "101 " and name "HN ")
)(
(segid " " and resid "70 " and name "HD21")
)
6.000 6.000 0.000 peak 8798 weight 0.10000E+01 volume 0.54000E-01 ppm1 8.962 ppm2 7.873
ASSI (
(segid " " and resid "102 " and name "HN ")
)(
(segid " " and resid "100 " and name "HB3 ")
OR
(segid " " and resid "100 " and name "HB2 ")
OR
(segid " " and resid "100 " and name "HB1 ")
OR
(segid " " and resid "96 " and name "HG22")
OR
(segid " " and resid "96 " and name "HG21")
OR
(segid " " and resid "96 " and name "HG12")
OR
(segid " " and resid "96 " and name "HG11")
)
6.000 6.000 0.000 peak 8805 weight 0.10000E+01 volume 0.20000E+00 ppm1 8.508 ppm2 1.123
ASSI (
(segid " " and resid "102 " and name "HN ")
)(
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
)
3.300 3.300 0.000 peak 8810 weight 0.10000E+01 volume 0.30620E+01 ppm1 8.503 ppm2 0.864
ASSI (
(segid " " and resid "103 " and name "HN ")
)(
(segid " " and resid "112 " and name "HG2 ")
OR
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
)
5.000 5.000 0.000 peak 8813 weight 0.10000E+01 volume 0.10040E+01 ppm1 8.546 ppm2 0.860
ASSI (
(segid " " and resid "103 " and name "HN ")
)(
(segid " " and resid "111 " and name "HD23")
OR
(segid " " and resid "111 " and name "HD22")
OR
(segid " " and resid "111 " and name "HD21")
)
5.000 5.000 0.000 peak 8814 weight 0.10000E+01 volume 0.58800E+00 ppm1 8.547 ppm2 0.967
ASSI (
(segid " " and resid "103 " and name "HN ")
)(
(segid " " and resid "101 " and name "HA ")
)
5.000 5.000 0.000 peak 8815 weight 0.10000E+01 volume 0.31000E+00 ppm1 8.545 ppm2 4.646
ASSI (
(segid " " and resid "103 " and name "HD21")
)(
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG21")
)
6.000 6.000 0.000 peak 8823 weight 0.10000E+01 volume 0.20300E+00 ppm1 7.549 ppm2 0.860
ASSI (
(segid " " and resid "103 " and name "HD21")
)(
(segid " " and resid "103 " and name "HD22")
)
2.700 2.700 0.000 peak 8824 weight 0.10000E+01 volume 0.48240E+01 ppm1 7.544 ppm2 6.756
ASSI (
(segid " " and resid "103 " and name "HD21")
)(
(segid " " and resid "133 " and name "HB2 ")
OR
(segid " " and resid "103 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8825 weight 0.10000E+01 volume 0.80900E+00 ppm1 7.549 ppm2 2.580
ASSI (
(segid " " and resid "103 " and name "HD21")
)(
(segid " " and resid "103 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8826 weight 0.10000E+01 volume 0.45800E+00 ppm1 7.550 ppm2 2.940
ASSI (
(segid " " and resid "103 " and name "HD22")
)(
(segid " " and resid "103 " and name "HD21")
)
3.300 3.300 0.000 peak 8827 weight 0.10000E+01 volume 0.37250E+01 ppm1 6.756 ppm2 7.545
ASSI (
(segid " " and resid "103 " and name "HD22")
)(
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
)
6.000 6.000 0.000 peak 8828 weight 0.10000E+01 volume 0.27300E+00 ppm1 6.758 ppm2 0.854
ASSI (
(segid " " and resid "103 " and name "HD22")
)(
(segid " " and resid "132 " and name "HA ")
)
5.000 5.000 0.000 peak 8829 weight 0.10000E+01 volume 0.35800E+00 ppm1 6.757 ppm2 5.071
ASSI (
(segid " " and resid "104 " and name "HN ")
)(
(segid " " and resid "111 " and name "HD23")
OR
(segid " " and resid "111 " and name "HD22")
OR
(segid " " and resid "111 " and name "HD21")
)
6.000 6.000 0.000 peak 8832 weight 0.10000E+01 volume 0.23600E+00 ppm1 6.326 ppm2 0.964
ASSI (
(segid " " and resid "104 " and name "HN ")
)(
(segid " " and resid "112 " and name "HG1 ")
)
6.000 6.000 0.000 peak 8833 weight 0.10000E+01 volume 0.21600E+00 ppm1 6.349 ppm2 1.810
ASSI (
(segid " " and resid "104 " and name "HN ")
)(
(segid " " and resid "102 " and name "HA ")
)
6.000 6.000 0.000 peak 8834 weight 0.10000E+01 volume 0.21000E+00 ppm1 6.328 ppm2 3.894
ASSI (
(segid " " and resid "104 " and name "HN ")
)(
(segid " " and resid "112 " and name "HG2 ")
OR
(segid " " and resid "80 " and name "HG11")
)
5.000 5.000 0.000 peak 8835 weight 0.10000E+01 volume 0.33300E+00 ppm1 6.326 ppm2 0.855
ASSI (
(segid " " and resid "105 " and name "HN ")
)(
(segid " " and resid "105 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8841 weight 0.10000E+01 volume 0.14100E+01 ppm1 8.238 ppm2 1.253
ASSI (
(segid " " and resid "106 " and name "HN ")
)(
(segid " " and resid "107 " and name "HN ")
)
6.000 6.000 0.000 peak 8850 weight 0.10000E+01 volume 0.23500E+00 ppm1 7.647 ppm2 8.163
ASSI (
(segid " " and resid "107 " and name "HN ")
)(
(segid " " and resid "109 " and name "HA2 ")
OR
(segid " " and resid "77 " and name "HA ")
OR
(segid " " and resid "76 " and name "HA2 ")
)
5.000 5.000 0.000 peak 8860 weight 0.10000E+01 volume 0.30900E+00 ppm1 8.187 ppm2 3.787
ASSI (
(segid " " and resid "108 " and name "HN ")
)(
(segid " " and resid "107 " and name "HA ")
)
5.000 5.000 0.000 peak 8869 weight 0.10000E+01 volume 0.43700E+00 ppm1 8.475 ppm2 4.295
ASSI (
(segid " " and resid "108 " and name "HN ")
)(
(segid " " and resid "109 " and name "HA2 ")
)
6.000 6.000 0.000 peak 8870 weight 0.10000E+01 volume 0.19700E+00 ppm1 8.474 ppm2 3.837
ASSI (
(segid " " and resid "108 " and name "HN ")
)(
(segid " " and resid "107 " and name "HB2 ")
OR
(segid " " and resid "107 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8872 weight 0.10000E+01 volume 0.19400E+00 ppm1 8.474 ppm2 4.068
ASSI (
(segid " " and resid "109 " and name "HN ")
)(
(segid " " and resid "106 " and name "HN ")
)
6.000 6.000 0.000 peak 8878 weight 0.10000E+01 volume 0.13500E+00 ppm1 8.511 ppm2 7.623
ASSI (
(segid " " and resid "109 " and name "HN ")
)(
(segid " " and resid "139 " and name "HN ")
OR
(segid " " and resid "105 " and name "HN ")
)
6.000 6.000 0.000 peak 8879 weight 0.10000E+01 volume 0.16800E+00 ppm1 8.511 ppm2 8.280
ASSI (
(segid " " and resid "109 " and name "HN ")
)(
(segid " " and resid "105 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8880 weight 0.10000E+01 volume 0.12900E+00 ppm1 8.509 ppm2 1.268
ASSI (
(segid " " and resid "109 " and name "HN ")
)(
(segid " " and resid "139 " and name "HB3 ")
OR
(segid " " and resid "139 " and name "HB2 ")
OR
(segid " " and resid "139 " and name "HB1 ")
OR
(segid " " and resid "106 " and name "HB2 ")
)
6.000 6.000 0.000 peak 8881 weight 0.10000E+01 volume 0.96000E-01 ppm1 8.500 ppm2 1.407
ASSI (
(segid " " and resid "109 " and name "HN ")
)(
(segid " " and resid "110 " and name "HB1 ")
OR
(segid " " and resid "110 " and name "HA ")
OR
(segid " " and resid "107 " and name "HB2 ")
OR
(segid " " and resid "107 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8882 weight 0.10000E+01 volume 0.24800E+00 ppm1 8.510 ppm2 4.066
ASSI (
(segid " " and resid "110 " and name "HN ")
)(
(segid " " and resid "109 " and name "HA2 ")
)
5.000 5.000 0.000 peak 8890 weight 0.10000E+01 volume 0.76800E+00 ppm1 8.000 ppm2 3.790
ASSI (
(segid " " and resid "110 " and name "HN ")
)(
(segid " " and resid "110 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8891 weight 0.10000E+01 volume 0.72300E+00 ppm1 7.992 ppm2 3.695
ASSI (
(segid " " and resid "110 " and name "HN ")
)(
(segid " " and resid "110 " and name "HB1 ")
OR
(segid " " and resid "110 " and name "HA ")
)
5.000 5.000 0.000 peak 8893 weight 0.10000E+01 volume 0.15120E+01 ppm1 8.003 ppm2 4.064
ASSI (
(segid " " and resid "110 " and name "HN ")
)(
(segid " " and resid "109 " and name "HN ")
OR
(segid " " and resid "108 " and name "HN ")
)
5.000 5.000 0.000 peak 8894 weight 0.10000E+01 volume 0.16450E+01 ppm1 8.003 ppm2 8.499
ASSI (
(segid " " and resid "111 " and name "HN ")
)(
(segid " " and resid "110 " and name "HB1 ")
OR
(segid " " and resid "110 " and name "HA ")
)
5.000 5.000 0.000 peak 8898 weight 0.10000E+01 volume 0.14740E+01 ppm1 9.449 ppm2 4.069
ASSI (
(segid " " and resid "113 " and name "HN ")
)(
(segid " " and resid "111 " and name "HD23")
OR
(segid " " and resid "111 " and name "HD21")
)
6.000 6.000 0.000 peak 8908 weight 0.10000E+01 volume 0.25500E+00 ppm1 8.280 ppm2 0.973
ASSI (
(segid " " and resid "113 " and name "HN ")
)(
(segid " " and resid "128 " and name "HB2 ")
OR
(segid " " and resid "111 " and name "HD13")
OR
(segid " " and resid "111 " and name "HD12")
OR
(segid " " and resid "111 " and name "HD11")
)
5.000 5.000 0.000 peak 8909 weight 0.10000E+01 volume 0.30600E+00 ppm1 8.277 ppm2 1.199
ASSI (
(segid " " and resid "113 " and name "HN ")
)(
(segid " " and resid "128 " and name "HD23")
OR
(segid " " and resid "128 " and name "HD22")
OR
(segid " " and resid "128 " and name "HD21")
OR
(segid " " and resid "112 " and name "HG2 ")
OR
(segid " " and resid "102 " and name "HG12")
OR
(segid " " and resid "102 " and name "HG11")
)
5.000 5.000 0.000 peak 8910 weight 0.10000E+01 volume 0.42400E+00 ppm1 8.274 ppm2 0.859
ASSI (
(segid " " and resid "113 " and name "HN ")
)(
(segid " " and resid "111 " and name "HB1 ")
)
6.000 6.000 0.000 peak 8911 weight 0.10000E+01 volume 0.18800E+00 ppm1 8.276 ppm2 2.426
ASSI (
(segid " " and resid "113 " and name "HN ")
)(
(segid " " and resid "112 " and name "HD2 ")
)
6.000 6.000 0.000 peak 8912 weight 0.10000E+01 volume 0.18500E+00 ppm1 8.276 ppm2 3.959
ASSI (
(segid " " and resid "113 " and name "HN ")
)(
(segid " " and resid "112 " and name "HD1 ")
)
6.000 6.000 0.000 peak 8913 weight 0.10000E+01 volume 0.18700E+00 ppm1 8.276 ppm2 4.269
ASSI (
(segid " " and resid "114 " and name "HE2 ")
)(
(segid " " and resid "144 " and name "HD1 ")
OR
(segid " " and resid "137 " and name "HA ")
)
6.000 6.000 0.000 peak 8921 weight 0.10000E+01 volume 0.20000E+00 ppm1 11.345 ppm2 4.260
ASSI (
(segid " " and resid "114 " and name "HE2 ")
)(
(segid " " and resid "143 " and name "HA ")
)
6.000 6.000 0.000 peak 8923 weight 0.10000E+01 volume 0.16800E+00 ppm1 11.347 ppm2 5.354
ASSI (
(segid " " and resid "114 " and name "HE2 ")
)(
(segid " " and resid "114 " and name "HD2 ")
)
6.000 6.000 0.000 peak 8924 weight 0.10000E+01 volume 0.29600E+00 ppm1 11.343 ppm2 6.965
ASSI (
(segid " " and resid "114 " and name "HE2 ")
)(
(segid " " and resid "114 " and name "HE1 ")
)
6.000 6.000 0.000 peak 8925 weight 0.10000E+01 volume 0.14500E+00 ppm1 11.345 ppm2 7.819
ASSI (
(segid " " and resid "114 " and name "HN ")
)(
(segid " " and resid "115 " and name "HA ")
OR
(segid " " and resid "110 " and name "HB1 ")
OR
(segid " " and resid "110 " and name "HA ")
)
5.000 5.000 0.000 peak 8926 weight 0.10000E+01 volume 0.55000E+00 ppm1 7.672 ppm2 4.061
ASSI (
(segid " " and resid "114 " and name "HN ")
)(
(segid " " and resid "111 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8927 weight 0.10000E+01 volume 0.84900E+00 ppm1 7.672 ppm2 2.005
ASSI (
(segid " " and resid "114 " and name "HN ")
)(
(segid " " and resid "115 " and name "HD23")
OR
(segid " " and resid "115 " and name "HD22")
OR
(segid " " and resid "115 " and name "HD21")
OR
(segid " " and resid "111 " and name "HD23")
)
5.000 5.000 0.000 peak 8928 weight 0.10000E+01 volume 0.44300E+00 ppm1 7.659 ppm2 0.957
ASSI (
(segid " " and resid "114 " and name "HN ")
)(
(segid " " and resid "111 " and name "HB1 ")
)
5.000 5.000 0.000 peak 8929 weight 0.10000E+01 volume 0.43200E+00 ppm1 7.666 ppm2 2.434
ASSI (
(segid " " and resid "114 " and name "HN ")
)(
(segid " " and resid "147 " and name "HD13")
OR
(segid " " and resid "147 " and name "HD12")
OR
(segid " " and resid "147 " and name "HD11")
OR
(segid " " and resid "111 " and name "HD13")
OR
(segid " " and resid "111 " and name "HD12")
OR
(segid " " and resid "111 " and name "HD11")
)
5.000 5.000 0.000 peak 8930 weight 0.10000E+01 volume 0.89600E+00 ppm1 7.665 ppm2 1.204
ASSI (
(segid " " and resid "115 " and name "HN ")
)(
(segid " " and resid "114 " and name "HB1 ")
OR
(segid " " and resid "110 " and name "HB2 ")
)
5.000 5.000 0.000 peak 8939 weight 0.10000E+01 volume 0.51900E+00 ppm1 7.305 ppm2 3.714
ASSI (
(segid " " and resid "116 " and name "HN ")
)(
(segid " " and resid "125 " and name "HG13")
OR
(segid " " and resid "125 " and name "HG12")
OR
(segid " " and resid "125 " and name "HG11")
OR
(segid " " and resid "124 " and name "HG22")
OR
(segid " " and resid "124 " and name "HG13")
OR
(segid " " and resid "124 " and name "HG12")
OR
(segid " " and resid "124 " and name "HG11")
OR
(segid " " and resid "115 " and name "HD23")
OR
(segid " " and resid "115 " and name "HD22")
OR
(segid " " and resid "115 " and name "HD21")
)
5.000 5.000 0.000 peak 8951 weight 0.10000E+01 volume 0.10670E+01 ppm1 7.890 ppm2 0.969
ASSI (
(segid " " and resid "116 " and name "HN ")
)(
(segid " " and resid "128 " and name "HD13")
OR
(segid " " and resid "128 " and name "HD12")
OR
(segid " " and resid "128 " and name "HD11")
OR
(segid " " and resid "117 " and name "HG12")
OR
(segid " " and resid "113 " and name "HD13")
OR
(segid " " and resid "113 " and name "HD12")
OR
(segid " " and resid "113 " and name "HD11")
OR
(segid " " and resid "113 " and name "HG22")
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ASSI (
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ASSI (
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ASSI (
(segid " " and resid "121 " and name "HN ")
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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(segid " " and resid "131 " and name "HB1 ")
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6.000 6.000 0.000 peak 9100 weight 0.10000E+01 volume 0.15400E+00 ppm1 7.015 ppm2 2.277
ASSI (
(segid " " and resid "133 " and name "HN ")
)(
(segid " " and resid "103 " and name "HD21")
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6.000 6.000 0.000 peak 9109 weight 0.10000E+01 volume 0.10100E+00 ppm1 8.722 ppm2 7.536
ASSI (
(segid " " and resid "133 " and name "HN ")
)(
(segid " " and resid "103 " and name "HD22")
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6.000 6.000 0.000 peak 9110 weight 0.10000E+01 volume 0.17200E+00 ppm1 8.724 ppm2 6.771
ASSI (
(segid " " and resid "133 " and name "HN ")
)(
(segid " " and resid "111 " and name "HD13")
OR
(segid " " and resid "111 " and name "HD12")
OR
(segid " " and resid "111 " and name "HD11")
)
6.000 6.000 0.000 peak 9111 weight 0.10000E+01 volume 0.27600E+00 ppm1 8.717 ppm2 1.185
ASSI (
(segid " " and resid "133 " and name "HN ")
)(
(segid " " and resid "134 " and name "HD23")
OR
(segid " " and resid "134 " and name "HD22")
OR
(segid " " and resid "134 " and name "HD21")
OR
(segid " " and resid "113 " and name "HG22")
OR
(segid " " and resid "113 " and name "HG21")
)
6.000 6.000 0.000 peak 9112 weight 0.10000E+01 volume 0.16000E+00 ppm1 8.723 ppm2 0.716
ASSI (
(segid " " and resid "133 " and name "HN ")
)(
(segid " " and resid "128 " and name "HD22")
OR
(segid " " and resid "112 " and name "HG2 ")
OR
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
OR
(segid " " and resid "102 " and name "HG13")
OR
(segid " " and resid "102 " and name "HG11")
)
6.000 6.000 0.000 peak 9113 weight 0.10000E+01 volume 0.23400E+00 ppm1 8.720 ppm2 0.861
ASSI (
(segid " " and resid "133 " and name "HN ")
)(
(segid " " and resid "111 " and name "HD23")
OR
(segid " " and resid "111 " and name "HD22")
OR
(segid " " and resid "111 " and name "HD21")
)
6.000 6.000 0.000 peak 9114 weight 0.10000E+01 volume 0.22200E+00 ppm1 8.720 ppm2 0.978
ASSI (
(segid " " and resid "134 " and name "HN ")
)(
(segid " " and resid "136 " and name "HN ")
OR
(segid " " and resid "103 " and name "HD21")
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6.000 6.000 0.000 peak 9121 weight 0.10000E+01 volume 0.22600E+00 ppm1 7.964 ppm2 7.558
ASSI (
(segid " " and resid "134 " and name "HN ")
)(
(segid " " and resid "133 " and name "HB2 ")
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6.000 6.000 0.000 peak 9122 weight 0.10000E+01 volume 0.24300E+00 ppm1 7.966 ppm2 2.567
ASSI (
(segid " " and resid "135 " and name "HN ")
)(
(segid " " and resid "143 " and name "HG23")
OR
(segid " " and resid "143 " and name "HG22")
OR
(segid " " and resid "143 " and name "HG21")
)
6.000 6.000 0.000 peak 9131 weight 0.10000E+01 volume 0.11300E+00 ppm1 8.050 ppm2 1.251
ASSI (
(segid " " and resid "135 " and name "HN ")
)(
(segid " " and resid "134 " and name "HB2 ")
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6.000 6.000 0.000 peak 9132 weight 0.10000E+01 volume 0.23300E+00 ppm1 8.049 ppm2 1.569
ASSI (
(segid " " and resid "136 " and name "HN ")
)(
(segid " " and resid "143 " and name "HG23")
OR
(segid " " and resid "143 " and name "HG22")
OR
(segid " " and resid "143 " and name "HG21")
OR
(segid " " and resid "111 " and name "HD13")
OR
(segid " " and resid "111 " and name "HD12")
)
5.000 5.000 0.000 peak 9142 weight 0.10000E+01 volume 0.51700E+00 ppm1 7.555 ppm2 1.206
ASSI (
(segid " " and resid "136 " and name "HN ")
)(
(segid " " and resid "136 " and name "HB2 ")
OR
(segid " " and resid "135 " and name "HB2 ")
)
3.300 3.300 0.000 peak 9143 weight 0.10000E+01 volume 0.22180E+01 ppm1 7.556 ppm2 3.096
ASSI (
(segid " " and resid "136 " and name "HN ")
)(
(segid " " and resid "136 " and name "HB1 ")
OR
(segid " " and resid "135 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9144 weight 0.10000E+01 volume 0.18950E+01 ppm1 7.560 ppm2 3.316
ASSI (
(segid " " and resid "136 " and name "HN ")
)(
(segid " " and resid "133 " and name "HB1 ")
)
6.000 6.000 0.000 peak 9145 weight 0.10000E+01 volume 0.18400E+00 ppm1 7.555 ppm2 2.921
ASSI (
(segid " " and resid "137 " and name "HN ")
)(
(segid " " and resid "136 " and name "HN ")
)
5.000 5.000 0.000 peak 9149 weight 0.10000E+01 volume 0.13930E+01 ppm1 7.445 ppm2 7.547
ASSI (
(segid " " and resid "137 " and name "HN ")
)(
(segid " " and resid "137 " and name "HA ")
)
3.300 3.300 0.000 peak 9152 weight 0.10000E+01 volume 0.22400E+01 ppm1 7.447 ppm2 4.193
ASSI (
(segid " " and resid "138 " and name "HN ")
)(
(segid " " and resid "138 " and name "HB2 ")
OR
(segid " " and resid "137 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9158 weight 0.10000E+01 volume 0.11150E+01 ppm1 7.710 ppm2 1.579
ASSI (
(segid " " and resid "138 " and name "HN ")
)(
(segid " " and resid "144 " and name "HD2 ")
OR
(segid " " and resid "141 " and name "HA2 ")
OR
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OR
(segid " " and resid "110 " and name "HB2 ")
)
5.000 5.000 0.000 peak 9159 weight 0.10000E+01 volume 0.45700E+00 ppm1 7.709 ppm2 3.680
ASSI (
(segid " " and resid "138 " and name "HN ")
)(
(segid " " and resid "143 " and name "HA ")
)
6.000 6.000 0.000 peak 9160 weight 0.10000E+01 volume 0.46000E-01 ppm1 7.704 ppm2 5.320
ASSI (
(segid " " and resid "138 " and name "HN ")
)(
(segid " " and resid "114 " and name "HE2 ")
)
5.000 5.000 0.000 peak 9161 weight 0.10000E+01 volume 0.39700E+00 ppm1 7.706 ppm2 11.344
ASSI (
(segid " " and resid "139 " and name "HN ")
)(
(segid " " and resid "109 " and name "HA1 ")
)
5.000 5.000 0.000 peak 9169 weight 0.10000E+01 volume 0.46900E+00 ppm1 8.303 ppm2 4.321
ASSI (
(segid " " and resid "139 " and name "HN ")
)(
(segid " " and resid "141 " and name "HN ")
OR
(segid " " and resid "109 " and name "HN ")
)
6.000 6.000 0.000 peak 9170 weight 0.10000E+01 volume 0.19300E+00 ppm1 8.298 ppm2 8.500
ASSI (
(segid " " and resid "140 " and name "HN ")
)(
(segid " " and resid "141 " and name "HA1 ")
OR
(segid " " and resid "109 " and name "HA1 ")
)
5.000 5.000 0.000 peak 9179 weight 0.10000E+01 volume 0.31900E+00 ppm1 8.133 ppm2 4.341
ASSI (
(segid " " and resid "140 " and name "HN ")
)(
(segid " " and resid "138 " and name "HB2 ")
)
6.000 6.000 0.000 peak 9180 weight 0.10000E+01 volume 0.28100E+00 ppm1 8.129 ppm2 1.548
ASSI (
(segid " " and resid "140 " and name "HN ")
)(
(segid " " and resid "141 " and name "HA2 ")
OR
(segid " " and resid "110 " and name "HB2 ")
)
6.000 6.000 0.000 peak 9182 weight 0.10000E+01 volume 0.17100E+00 ppm1 8.142 ppm2 3.668
ASSI (
(segid " " and resid "141 " and name "HN ")
)(
(segid " " and resid "140 " and name "HB1 ")
OR
(segid " " and resid "139 " and name "HA ")
)
5.000 5.000 0.000 peak 9189 weight 0.10000E+01 volume 0.46600E+00 ppm1 8.449 ppm2 4.128
ASSI (
(segid " " and resid "141 " and name "HN ")
)(
(segid " " and resid "140 " and name "HA ")
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5.000 5.000 0.000 peak 9190 weight 0.10000E+01 volume 0.39300E+00 ppm1 8.450 ppm2 4.510
ASSI (
(segid " " and resid "141 " and name "HN ")
)(
(segid " " and resid "140 " and name "HB2 ")
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6.000 6.000 0.000 peak 9191 weight 0.10000E+01 volume 0.27000E+00 ppm1 8.453 ppm2 3.927
ASSI (
(segid " " and resid "142 " and name "HN ")
)(
(segid " " and resid "140 " and name "HB1 ")
)
6.000 6.000 0.000 peak 9196 weight 0.10000E+01 volume 0.26400E+00 ppm1 8.201 ppm2 4.113
ASSI (
(segid " " and resid "142 " and name "HN ")
)(
(segid " " and resid "137 " and name "HA ")
)
5.000 5.000 0.000 peak 9197 weight 0.10000E+01 volume 0.40300E+00 ppm1 8.198 ppm2 4.216
ASSI (
(segid " " and resid "142 " and name "HN ")
)(
(segid " " and resid "138 " and name "HN ")
)
5.000 5.000 0.000 peak 9198 weight 0.10000E+01 volume 0.71300E+00 ppm1 8.203 ppm2 7.693
ASSI (
(segid " " and resid "143 " and name "HN ")
)(
(segid " " and resid "146 " and name "HB2 ")
OR
(segid " " and resid "146 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9209 weight 0.10000E+01 volume 0.16380E+01 ppm1 8.545 ppm2 2.141
ASSI (
(segid " " and resid "145 " and name "HN ")
)(
(segid " " and resid "164 " and name "HB2 ")
OR
(segid " " and resid "160 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9217 weight 0.10000E+01 volume 0.84400E+00 ppm1 8.794 ppm2 1.901
ASSI (
(segid " " and resid "145 " and name "HN ")
)(
(segid " " and resid "160 " and name "HD13")
OR
(segid " " and resid "160 " and name "HD12")
OR
(segid " " and resid "160 " and name "HD11")
)
5.000 5.000 0.000 peak 9218 weight 0.10000E+01 volume 0.32600E+00 ppm1 8.799 ppm2 0.631
ASSI (
(segid " " and resid "145 " and name "HN ")
)(
(segid " " and resid "145 " and name "HD23")
OR
(segid " " and resid "145 " and name "HD22")
OR
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OR
(segid " " and resid "145 " and name "HD13")
OR
(segid " " and resid "145 " and name "HD12")
OR
(segid " " and resid "145 " and name "HD11")
OR
(segid " " and resid "134 " and name "HD13")
)
5.000 5.000 0.000 peak 9219 weight 0.10000E+01 volume 0.62600E+00 ppm1 8.794 ppm2 0.972
ASSI (
(segid " " and resid "145 " and name "HN ")
)(
(segid " " and resid "144 " and name "HD1 ")
)
6.000 6.000 0.000 peak 9220 weight 0.10000E+01 volume 0.76000E-01 ppm1 8.796 ppm2 4.281
ASSI (
(segid " " and resid "145 " and name "HN ")
)(
(segid " " and resid "143 " and name "HB ")
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5.000 5.000 0.000 peak 9221 weight 0.10000E+01 volume 0.40100E+00 ppm1 8.795 ppm2 4.733
ASSI (
(segid " " and resid "145 " and name "HN ")
)(
(segid " " and resid "160 " and name "HD23")
OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
(segid " " and resid "113 " and name "HD12")
OR
(segid " " and resid "113 " and name "HD11")
OR
(segid " " and resid "113 " and name "HG23")
OR
(segid " " and resid "113 " and name "HG22")
)
5.000 5.000 0.000 peak 9222 weight 0.10000E+01 volume 0.34200E+00 ppm1 8.793 ppm2 0.725
ASSI (
(segid " " and resid "145 " and name "HN ")
)(
(segid " " and resid "144 " and name "HD2 ")
OR
(segid " " and resid "144 " and name "HA ")
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5.000 5.000 0.000 peak 9223 weight 0.10000E+01 volume 0.33200E+00 ppm1 8.796 ppm2 3.689
ASSI (
(segid " " and resid "146 " and name "HN ")
)(
(segid " " and resid "145 " and name "HD23")
OR
(segid " " and resid "145 " and name "HD22")
OR
(segid " " and resid "145 " and name "HD21")
OR
(segid " " and resid "145 " and name "HD13")
OR
(segid " " and resid "145 " and name "HD12")
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6.000 6.000 0.000 peak 9230 weight 0.10000E+01 volume 0.26500E+00 ppm1 7.644 ppm2 0.968
ASSI (
(segid " " and resid "146 " and name "HN ")
)(
(segid " " and resid "149 " and name "HB2 ")
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6.000 6.000 0.000 peak 9231 weight 0.10000E+01 volume 0.20900E+00 ppm1 7.643 ppm2 1.872
ASSI (
(segid " " and resid "146 " and name "HN ")
)(
(segid " " and resid "164 " and name "HE3 ")
OR
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OR
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OR
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OR
(segid " " and resid "157 " and name "HE1 ")
OR
(segid " " and resid "149 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9232 weight 0.10000E+01 volume 0.39300E+00 ppm1 7.640 ppm2 2.008
ASSI (
(segid " " and resid "147 " and name "HN ")
)(
(segid " " and resid "143 " and name "HN ")
)
6.000 6.000 0.000 peak 9243 weight 0.10000E+01 volume 0.20000E+00 ppm1 8.755 ppm2 8.563
ASSI (
(segid " " and resid "147 " and name "HN ")
)(
(segid " " and resid "147 " and name "HG ")
OR
(segid " " and resid "147 " and name "HB2 ")
)
5.000 5.000 0.000 peak 9244 weight 0.10000E+01 volume 0.16170E+01 ppm1 8.753 ppm2 1.533
ASSI (
(segid " " and resid "147 " and name "HN ")
)(
(segid " " and resid "142 " and name "HD13")
OR
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OR
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OR
(segid " " and resid "117 " and name "HD13")
OR
(segid " " and resid "117 " and name "HD12")
OR
(segid " " and resid "117 " and name "HD11")
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5.000 5.000 0.000 peak 9245 weight 0.10000E+01 volume 0.32800E+00 ppm1 8.758 ppm2 0.909
ASSI (
(segid " " and resid "147 " and name "HN ")
)(
(segid " " and resid "142 " and name "HD22")
OR
(segid " " and resid "142 " and name "HD21")
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5.000 5.000 0.000 peak 9246 weight 0.10000E+01 volume 0.49200E+00 ppm1 8.756 ppm2 0.758
ASSI (
(segid " " and resid "148 " and name "HN ")
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(segid " " and resid "160 " and name "HD13")
OR
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OR
(segid " " and resid "160 " and name "HD11")
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6.000 6.000 0.000 peak 9255 weight 0.10000E+01 volume 0.16100E+00 ppm1 8.280 ppm2 0.624
ASSI (
(segid " " and resid "148 " and name "HN ")
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(segid " " and resid "160 " and name "HG ")
OR
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OR
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OR
(segid " " and resid "144 " and name "HB2 ")
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5.000 5.000 0.000 peak 9256 weight 0.10000E+01 volume 0.34100E+00 ppm1 8.273 ppm2 1.744
ASSI (
(segid " " and resid "148 " and name "HN ")
)(
(segid " " and resid "117 " and name "HG23")
OR
(segid " " and resid "117 " and name "HG22")
OR
(segid " " and resid "117 " and name "HG21")
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5.000 5.000 0.000 peak 9257 weight 0.10000E+01 volume 0.10030E+01 ppm1 8.276 ppm2 0.768
ASSI (
(segid " " and resid "148 " and name "HN ")
)(
(segid " " and resid "157 " and name "HG2 ")
OR
(segid " " and resid "157 " and name "HG1 ")
OR
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OR
(segid " " and resid "150 " and name "HB1 ")
OR
(segid " " and resid "146 " and name "HG2 ")
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6.000 6.000 0.000 peak 9258 weight 0.10000E+01 volume 0.19000E+00 ppm1 8.275 ppm2 2.376
ASSI (
(segid " " and resid "148 " and name "HN ")
)(
(segid " " and resid "156 " and name "HG ")
OR
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OR
(segid " " and resid "149 " and name "HB2 ")
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5.000 5.000 0.000 peak 9259 weight 0.10000E+01 volume 0.41400E+00 ppm1 8.280 ppm2 1.868
ASSI (
(segid " " and resid "148 " and name "HN ")
)(
(segid " " and resid "151 " and name "HN ")
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6.000 6.000 0.000 peak 9260 weight 0.10000E+01 volume 0.49000E-01 ppm1 8.278 ppm2 7.783
ASSI (
(segid " " and resid "148 " and name "HN ")
)(
(segid " " and resid "117 " and name "HD13")
OR
(segid " " and resid "117 " and name "HD12")
OR
(segid " " and resid "117 " and name "HD11")
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5.000 5.000 0.000 peak 9261 weight 0.10000E+01 volume 0.72300E+00 ppm1 8.275 ppm2 0.882
ASSI (
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OR
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6.000 6.000 0.000 peak 9272 weight 0.10000E+01 volume 0.13000E-01 ppm1 8.556 ppm2 3.257
ASSI (
(segid " " and resid "149 " and name "HN ")
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(segid " " and resid "157 " and name "HB2 ")
OR
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OR
(segid " " and resid "146 " and name "HB2 ")
OR
(segid " " and resid "146 " and name "HB1 ")
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5.000 5.000 0.000 peak 9273 weight 0.10000E+01 volume 0.53100E+00 ppm1 8.556 ppm2 2.167
ASSI (
(segid " " and resid "149 " and name "HN ")
)(
(segid " " and resid "157 " and name "HG2 ")
OR
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OR
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OR
(segid " " and resid "150 " and name "HB1 ")
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5.000 5.000 0.000 peak 9274 weight 0.10000E+01 volume 0.47800E+00 ppm1 8.554 ppm2 2.357
ASSI (
(segid " " and resid "150 " and name "HN ")
)(
(segid " " and resid "156 " and name "HD11")
OR
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OR
(segid " " and resid "147 " and name "HD22")
OR
(segid " " and resid "147 " and name "HD21")
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6.000 6.000 0.000 peak 9285 weight 0.10000E+01 volume 0.19200E+00 ppm1 8.440 ppm2 1.042
ASSI (
(segid " " and resid "150 " and name "HN ")
)(
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OR
(segid " " and resid "148 " and name "HB2 ")
OR
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OR
(segid " " and resid "147 " and name "HG ")
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6.000 6.000 0.000 peak 9286 weight 0.10000E+01 volume 0.20800E+00 ppm1 8.432 ppm2 1.479
ASSI (
(segid " " and resid "150 " and name "HN ")
)(
(segid " " and resid "157 " and name "HA ")
OR
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6.000 6.000 0.000 peak 9287 weight 0.10000E+01 volume 0.13400E+00 ppm1 8.431 ppm2 3.740
ASSI (
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(segid " " and resid "150 " and name "HG1 ")
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5.000 5.000 0.000 peak 9300 weight 0.10000E+01 volume 0.38400E+00 ppm1 7.589 ppm2 2.560
ASSI (
(segid " " and resid "150 " and name "HE21")
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(segid " " and resid "150 " and name "HE22")
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2.700 2.700 0.000 peak 9302 weight 0.10000E+01 volume 0.10957E+02 ppm1 7.586 ppm2 6.755
ASSI (
(segid " " and resid "150 " and name "HE22")
)(
(segid " " and resid "150 " and name "HG1 ")
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6.000 6.000 0.000 peak 9303 weight 0.10000E+01 volume 0.24600E+00 ppm1 6.759 ppm2 2.561
ASSI (
(segid " " and resid "150 " and name "HE22")
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(segid " " and resid "150 " and name "HE21")
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2.700 2.700 0.000 peak 9304 weight 0.10000E+01 volume 0.10819E+02 ppm1 6.756 ppm2 7.583
ASSI (
(segid " " and resid "151 " and name "HN ")
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(segid " " and resid "149 " and name "HN ")
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6.000 6.000 0.000 peak 9306 weight 0.10000E+01 volume 0.23400E+00 ppm1 7.806 ppm2 8.544
ASSI (
(segid " " and resid "151 " and name "HN ")
)(
(segid " " and resid "151 " and name "HG1 ")
OR
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3.300 3.300 0.000 peak 9307 weight 0.10000E+01 volume 0.33960E+01 ppm1 7.799 ppm2 1.842
ASSI (
(segid " " and resid "151 " and name "HN ")
)(
(segid " " and resid "151 " and name "HG2 ")
OR
(segid " " and resid "151 " and name "HB2 ")
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3.300 3.300 0.000 peak 9308 weight 0.10000E+01 volume 0.29930E+01 ppm1 7.797 ppm2 1.746
ASSI (
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(segid " " and resid "151 " and name "HB2 ")
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5.000 5.000 0.000 peak 9318 weight 0.10000E+01 volume 0.56000E+00 ppm1 7.997 ppm2 1.782
ASSI (
(segid " " and resid "152 " and name "HN ")
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(segid " " and resid "156 " and name "HG ")
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OR
(segid " " and resid "149 " and name "HB2 ")
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5.000 5.000 0.000 peak 9319 weight 0.10000E+01 volume 0.48100E+00 ppm1 7.999 ppm2 1.860
ASSI (
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(segid " " and resid "153 " and name "HB3 ")
OR
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OR
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6.000 6.000 0.000 peak 9320 weight 0.10000E+01 volume 0.28300E+00 ppm1 7.989 ppm2 1.373
ASSI (
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ASSI (
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ASSI (
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6.000 6.000 0.000 peak 9362 weight 0.10000E+01 volume 0.11200E+00 ppm1 8.302 ppm2 4.137
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ASSI (
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ASSI (
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6.000 6.000 0.000 peak 9375 weight 0.10000E+01 volume 0.29300E+00 ppm1 7.371 ppm2 0.747
ASSI (
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ASSI (
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6.000 6.000 0.000 peak 9396 weight 0.10000E+01 volume 0.28600E+00 ppm1 8.764 ppm2 3.718
ASSI (
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ASSI (
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2.700 2.700 0.000 peak 9412 weight 0.10000E+01 volume 0.10932E+02 ppm1 7.193 ppm2 6.813
ASSI (
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2.700 2.700 0.000 peak 9413 weight 0.10000E+01 volume 0.13250E+02 ppm1 6.816 ppm2 7.188
ASSI (
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5.000 5.000 0.000 peak 9447 weight 0.10000E+01 volume -0.81200E+00 ppm1 6.962 ppm2 3.671
ASSI (
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6.000 6.000 0.000 peak 9449 weight 0.10000E+01 volume -0.19800E+00 ppm1 7.265 ppm2 0.964
ASSI (
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6.000 6.000 0.000 peak 9450 weight 0.10000E+01 volume -0.12300E+00 ppm1 7.261 ppm2 3.756
ASSI (
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6.000 6.000 0.000 peak 9451 weight 0.10000E+01 volume -0.13300E+00 ppm1 7.274 ppm2 4.264
ASSI (
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6.000 6.000 0.000 peak 9452 weight 0.10000E+01 volume -0.19200E+00 ppm1 7.269 ppm2 2.055
ASSI (
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ASSI (
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6.000 6.000 0.000 peak 9457 weight 0.10000E+01 volume -0.13300E+00 ppm1 7.326 ppm2 0.905
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ASSI (
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6.000 6.000 0.000 peak 9461 weight 0.10000E+01 volume -0.11000E+00 ppm1 7.459 ppm2 4.738
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6.000 6.000 0.000 peak 9462 weight 0.10000E+01 volume -0.13300E+00 ppm1 7.225 ppm2 0.628
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ASSI (
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6.000 6.000 0.000 peak 9466 weight 0.10000E+01 volume -0.12200E+00 ppm1 7.143 ppm2 3.742
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5.000 5.000 0.000 peak 9467 weight 0.10000E+01 volume -0.52700E+00 ppm1 7.325 ppm2 1.328
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6.000 6.000 0.000 peak 9468 weight 0.10000E+01 volume -0.23700E+00 ppm1 7.320 ppm2 1.955
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6.000 6.000 0.000 peak 9470 weight 0.10000E+01 volume -0.22700E+00 ppm1 7.316 ppm2 0.880
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ASSI (
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5.000 5.000 0.000 peak 9585 weight 0.10000E+01 volume -0.31600E+00 ppm1 0.659 ppm2 2.847
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ASSI (
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ASSI (
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5.000 5.000 0.000 peak 9588 weight 0.10000E+01 volume -0.40300E+00 ppm1 0.659 ppm2 2.265
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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OR
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ASSI (
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5.000 5.000 0.000 peak 9600 weight 0.10000E+01 volume -0.35900E+00 ppm1 0.957 ppm2 4.307
ASSI (
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5.000 5.000 0.000 peak 10540 weight 0.10000E+01 volume -0.55000E+00 ppm1 1.765 ppm2 4.516
ASSI (
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5.000 5.000 0.000 peak 10541 weight 0.10000E+01 volume -0.56000E+00 ppm1 1.926 ppm2 4.505
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ASSI (
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5.000 5.000 0.000 peak 9602 weight 0.10000E+01 volume -0.61200E+00 ppm1 1.193 ppm2 3.514
ASSI (
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5.000 5.000 0.000 peak 9603 weight 0.10000E+01 volume -0.12090E+01 ppm1 1.193 ppm2 3.675
ASSI (
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ASSI (
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ASSI (
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OR
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5.000 5.000 0.000 peak 10549 weight 0.10000E+01 volume -0.60200E+00 ppm1 1.176 ppm2 0.659
ASSI (
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6.000 6.000 0.000 peak 9607 weight 0.10000E+01 volume -0.14400E+00 ppm1 0.952 ppm2 2.951
ASSI (
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5.000 5.000 0.000 peak 12979 weight 0.10000E+01 volume -0.30700E+00 ppm1 0.855 ppm2 3.969
ASSI (
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ASSI (
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5.000 5.000 0.000 peak 9609 weight 0.10000E+01 volume -0.72600E+00 ppm1 1.940 ppm2 4.012
ASSI (
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5.000 5.000 0.000 peak 9610 weight 0.10000E+01 volume -0.55100E+00 ppm1 2.410 ppm2 4.206
ASSI (
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5.000 5.000 0.000 peak 9611 weight 0.10000E+01 volume -0.76400E+00 ppm1 2.233 ppm2 4.208
ASSI (
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5.000 5.000 0.000 peak 9612 weight 0.10000E+01 volume -0.52100E+00 ppm1 2.322 ppm2 3.889
ASSI (
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5.000 5.000 0.000 peak 9613 weight 0.10000E+01 volume -0.46700E+00 ppm1 1.954 ppm2 3.413
ASSI (
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5.000 5.000 0.000 peak 9614 weight 0.10000E+01 volume -0.37900E+00 ppm1 1.692 ppm2 3.875
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6.000 6.000 0.000 peak 9615 weight 0.10000E+01 volume -0.21000E+00 ppm1 3.141 ppm2 1.486
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5.000 5.000 0.000 peak 9616 weight 0.10000E+01 volume -0.86400E+00 ppm1 1.453 ppm2 4.251
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6.000 6.000 0.000 peak 9617 weight 0.10000E+01 volume -0.18600E+00 ppm1 2.127 ppm2 4.955
ASSI (
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5.000 5.000 0.000 peak 9619 weight 0.10000E+01 volume -0.11040E+01 ppm1 2.143 ppm2 1.355
ASSI (
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6.000 6.000 0.000 peak 9620 weight 0.10000E+01 volume -0.29800E+00 ppm1 1.553 ppm2 7.250
ASSI (
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6.000 6.000 0.000 peak 9622 weight 0.10000E+01 volume -0.19000E+00 ppm1 2.056 ppm2 7.252
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6.000 6.000 0.000 peak 9623 weight 0.10000E+01 volume -0.29200E+00 ppm1 1.180 ppm2 3.778
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6.000 6.000 0.000 peak 9624 weight 0.10000E+01 volume -0.27300E+00 ppm1 3.022 ppm2 1.487
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5.000 5.000 0.000 peak 9625 weight 0.10000E+01 volume -0.31300E+00 ppm1 2.327 ppm2 3.788
ASSI (
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5.000 5.000 0.000 peak 10685 weight 0.10000E+01 volume -0.10940E+01 ppm1 1.967 ppm2 3.037
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5.000 5.000 0.000 peak 9626 weight 0.10000E+01 volume -0.12130E+01 ppm1 2.252 ppm2 3.780
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5.000 5.000 0.000 peak 9627 weight 0.10000E+01 volume -0.10870E+01 ppm1 3.274 ppm2 1.235
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6.000 6.000 0.000 peak 9628 weight 0.10000E+01 volume -0.14300E+00 ppm1 3.514 ppm2 1.193
ASSI (
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6.000 6.000 0.000 peak 9629 weight 0.10000E+01 volume -0.26300E+00 ppm1 2.876 ppm2 1.398
ASSI (
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6.000 6.000 0.000 peak 9630 weight 0.10000E+01 volume -0.21900E+00 ppm1 3.194 ppm2 1.397
ASSI (
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6.000 6.000 0.000 peak 9631 weight 0.10000E+01 volume -0.22300E+00 ppm1 1.273 ppm2 3.701
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5.000 5.000 0.000 peak 9632 weight 0.10000E+01 volume -0.11160E+01 ppm1 1.690 ppm2 4.033
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5.000 5.000 0.000 peak 9633 weight 0.10000E+01 volume -0.87100E+00 ppm1 1.902 ppm2 3.881
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6.000 6.000 0.000 peak 9634 weight 0.10000E+01 volume -0.88000E-01 ppm1 3.034 ppm2 2.537
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6.000 6.000 0.000 peak 9636 weight 0.10000E+01 volume -0.25800E+00 ppm1 3.285 ppm2 0.935
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5.000 5.000 0.000 peak 9637 weight 0.10000E+01 volume -0.16610E+01 ppm1 1.947 ppm2 1.137
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6.000 6.000 0.000 peak 9638 weight 0.10000E+01 volume -0.14300E+00 ppm1 3.274 ppm2 2.554
ASSI (
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ASSI (
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5.000 5.000 0.000 peak 9641 weight 0.10000E+01 volume -0.41100E+00 ppm1 2.340 ppm2 7.331
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5.000 5.000 0.000 peak 9642 weight 0.10000E+01 volume -0.38100E+00 ppm1 2.447 ppm2 1.714
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5.000 5.000 0.000 peak 9643 weight 0.10000E+01 volume -0.53500E+00 ppm1 3.290 ppm2 1.200
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6.000 6.000 0.000 peak 9705 weight 0.10000E+01 volume 0.19700E+00 ppm1 2.436 ppm2 4.366
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(segid " " and resid "72 " and name "HB1 ")
)(
(segid " " and resid "72 " and name "HB2 ")
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2.700 2.700 0.000 peak 9706 weight 0.10000E+01 volume 0.48430E+01 ppm1 1.970 ppm2 1.834
ASSI (
(segid " " and resid "72 " and name "HB1 ")
)(
(segid " " and resid "78 " and name "HB1 ")
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6.000 6.000 0.000 peak 9707 weight 0.10000E+01 volume 0.18000E+00 ppm1 1.969 ppm2 4.479
ASSI (
(segid " " and resid "65 " and name "HG2 ")
)(
(segid " " and resid "37 " and name "HG1 ")
OR
(segid " " and resid "37 " and name "HB2 ")
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5.000 5.000 0.000 peak 9708 weight 0.10000E+01 volume 0.41600E+00 ppm1 2.453 ppm2 1.697
ASSI (
(segid " " and resid "127 " and name "HA ")
)(
(segid " " and resid "126 " and name "HA ")
OR
(segid " " and resid "123 " and name "HB2 ")
OR
(segid " " and resid "123 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9709 weight 0.10000E+01 volume -0.14760E+01 ppm1 4.304 ppm2 4.005
ASSI (
(segid " " and resid "127 " and name "HA ")
)(
(segid " " and resid "129 " and name "HB3 ")
OR
(segid " " and resid "129 " and name "HB2 ")
OR
(segid " " and resid "129 " and name "HB1 ")
OR
(segid " " and resid "96 " and name "HG22")
OR
(segid " " and resid "93 " and name "HG1 ")
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6.000 6.000 0.000 peak 9710 weight 0.10000E+01 volume -0.18400E+00 ppm1 4.300 ppm2 1.129
ASSI (
(segid " " and resid "127 " and name "HA ")
)(
(segid " " and resid "127 " and name "HE2 ")
OR
(segid " " and resid "127 " and name "HE1 ")
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5.000 5.000 0.000 peak 9712 weight 0.10000E+01 volume -0.11180E+01 ppm1 4.303 ppm2 7.213
ASSI (
(segid " " and resid "150 " and name "HG1 ")
)(
(segid " " and resid "151 " and name "HG2 ")
OR
(segid " " and resid "151 " and name "HG1 ")
)
6.000 6.000 0.000 peak 9713 weight 0.10000E+01 volume 0.25600E+00 ppm1 2.547 ppm2 1.811
ASSI (
(segid " " and resid "72 " and name "HG2 ")
OR
(segid " " and resid "72 " and name "HG1 ")
)(
(segid " " and resid "77 " and name "HA ")
OR
(segid " " and resid "76 " and name "HA2 ")
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6.000 6.000 0.000 peak 9714 weight 0.10000E+01 volume 0.17400E+00 ppm1 2.244 ppm2 3.784
ASSI (
(segid " " and resid "150 " and name "HG1 ")
)(
(segid " " and resid "142 " and name "HD23")
OR
(segid " " and resid "142 " and name "HD21")
OR
(segid " " and resid "117 " and name "HG23")
OR
(segid " " and resid "117 " and name "HG22")
OR
(segid " " and resid "117 " and name "HG21")
)
5.000 5.000 0.000 peak 9715 weight 0.10000E+01 volume 0.31900E+00 ppm1 2.557 ppm2 0.753
ASSI (
(segid " " and resid "150 " and name "HG2 ")
)(
(segid " " and resid "147 " and name "HA ")
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5.000 5.000 0.000 peak 9716 weight 0.10000E+01 volume 0.32500E+00 ppm1 2.331 ppm2 4.200
ASSI (
(segid " " and resid "164 " and name "HB2 ")
)(
(segid " " and resid "161 " and name "HA ")
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5.000 5.000 0.000 peak 9717 weight 0.10000E+01 volume 0.52700E+00 ppm1 1.943 ppm2 4.017
ASSI (
(segid " " and resid "150 " and name "HG1 ")
)(
(segid " " and resid "147 " and name "HD23")
OR
(segid " " and resid "147 " and name "HD22")
OR
(segid " " and resid "147 " and name "HD21")
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5.000 5.000 0.000 peak 9718 weight 0.10000E+01 volume 0.35600E+00 ppm1 2.552 ppm2 1.031
ASSI (
(segid " " and resid "150 " and name "HG1 ")
)(
(segid " " and resid "147 " and name "HA ")
)
6.000 6.000 0.000 peak 9719 weight 0.10000E+01 volume 0.20600E+00 ppm1 2.551 ppm2 4.227
ASSI (
(segid " " and resid "164 " and name "HB1 ")
OR
(segid " " and resid "150 " and name "HG2 ")
)(
(segid " " and resid "166 " and name "HG23")
OR
(segid " " and resid "166 " and name "HG22")
OR
(segid " " and resid "166 " and name "HG21")
OR
(segid " " and resid "147 " and name "HD23")
OR
(segid " " and resid "147 " and name "HD22")
OR
(segid " " and resid "147 " and name "HD21")
)
5.000 5.000 0.000 peak 9720 weight 0.10000E+01 volume 0.51700E+00 ppm1 2.341 ppm2 1.036
ASSI (
(segid " " and resid "25 " and name "HG1 ")
)(
(segid " " and resid "29 " and name "HD13")
OR
(segid " " and resid "29 " and name "HD12")
OR
(segid " " and resid "29 " and name "HD11")
)
5.000 5.000 0.000 peak 9721 weight 0.10000E+01 volume 0.55500E+00 ppm1 2.348 ppm2 0.765
ASSI (
(segid " " and resid "150 " and name "HG1 ")
)(
(segid " " and resid "142 " and name "HD13")
OR
(segid " " and resid "142 " and name "HD12")
OR
(segid " " and resid "142 " and name "HD11")
)
5.000 5.000 0.000 peak 9722 weight 0.10000E+01 volume 0.44400E+00 ppm1 2.549 ppm2 0.887
ASSI (
(segid " " and resid "25 " and name "HG2 ")
)(
(segid " " and resid "29 " and name "HD23")
OR
(segid " " and resid "29 " and name "HD13")
OR
(segid " " and resid "29 " and name "HD11")
)
5.000 5.000 0.000 peak 9723 weight 0.10000E+01 volume 0.49200E+00 ppm1 2.152 ppm2 0.768
ASSI (
(segid " " and resid "164 " and name "HB1 ")
OR
(segid " " and resid "25 " and name "HG1 ")
)(
(segid " " and resid "166 " and name "HG11")
OR
(segid " " and resid "17 " and name "HB3 ")
OR
(segid " " and resid "17 " and name "HB1 ")
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5.000 5.000 0.000 peak 9724 weight 0.10000E+01 volume 0.13770E+01 ppm1 2.356 ppm2 1.516
ASSI (
(segid " " and resid "25 " and name "HG2 ")
)(
(segid " " and resid "17 " and name "HB3 ")
OR
(segid " " and resid "17 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9725 weight 0.10000E+01 volume 0.10140E+01 ppm1 2.147 ppm2 1.517
ASSI (
(segid " " and resid "25 " and name "HG1 ")
)(
(segid " " and resid "25 " and name "HA ")
)
6.000 6.000 0.000 peak 9726 weight 0.10000E+01 volume 0.24700E+00 ppm1 2.340 ppm2 4.635
ASSI (
(segid " " and resid "25 " and name "HG2 ")
)(
(segid " " and resid "17 " and name "HA ")
OR
(segid " " and resid "14 " and name "HA ")
)
6.000 6.000 0.000 peak 9727 weight 0.10000E+01 volume 0.16700E+00 ppm1 2.131 ppm2 4.127
ASSI (
(segid " " and resid "123 " and name "HA ")
)(
(segid " " and resid "89 " and name "HD13")
OR
(segid " " and resid "89 " and name "HD12")
OR
(segid " " and resid "89 " and name "HD11")
)
5.000 5.000 0.000 peak 9728 weight 0.10000E+01 volume -0.34200E+00 ppm1 4.342 ppm2 0.819
ASSI (
(segid " " and resid "107 " and name "HA ")
)(
(segid " " and resid "108 " and name "HG23")
OR
(segid " " and resid "108 " and name "HG22")
OR
(segid " " and resid "108 " and name "HG21")
)
6.000 6.000 0.000 peak 9729 weight 0.10000E+01 volume -0.17400E+00 ppm1 4.288 ppm2 1.166
ASSI (
(segid " " and resid "107 " and name "HA ")
)(
(segid " " and resid "109 " and name "HA2 ")
OR
(segid " " and resid "77 " and name "HA ")
OR
(segid " " and resid "76 " and name "HA2 ")
)
5.000 5.000 0.000 peak 9730 weight 0.10000E+01 volume -0.41300E+00 ppm1 4.288 ppm2 3.781
ASSI (
(segid " " and resid "107 " and name "HA ")
)(
(segid " " and resid "108 " and name "HA ")
)
6.000 6.000 0.000 peak 9731 weight 0.10000E+01 volume -0.12900E+00 ppm1 4.288 ppm2 4.609
ASSI (
(segid " " and resid "161 " and name "HG2 ")
)(
(segid " " and resid "158 " and name "HA ")
)
6.000 6.000 0.000 peak 9732 weight 0.10000E+01 volume 0.17400E+00 ppm1 2.376 ppm2 4.335
ASSI (
(segid " " and resid "161 " and name "HG2 ")
)(
(segid " " and resid "145 " and name "HD23")
OR
(segid " " and resid "145 " and name "HD21")
OR
(segid " " and resid "145 " and name "HD13")
OR
(segid " " and resid "145 " and name "HD12")
OR
(segid " " and resid "145 " and name "HD11")
)
5.000 5.000 0.000 peak 9733 weight 0.10000E+01 volume 0.10660E+01 ppm1 2.368 ppm2 0.977
ASSI (
(segid " " and resid "161 " and name "HG1 ")
)(
(segid " " and resid "145 " and name "HD23")
OR
(segid " " and resid "145 " and name "HD22")
OR
(segid " " and resid "145 " and name "HD21")
)
5.000 5.000 0.000 peak 9734 weight 0.10000E+01 volume 0.89800E+00 ppm1 2.543 ppm2 0.990
ASSI (
(segid " " and resid "161 " and name "HG1 ")
)(
(segid " " and resid "164 " and name "HE3 ")
OR
(segid " " and resid "164 " and name "HE2 ")
OR
(segid " " and resid "164 " and name "HE1 ")
OR
(segid " " and resid "160 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9735 weight 0.10000E+01 volume 0.42600E+00 ppm1 2.542 ppm2 1.982
ASSI (
(segid " " and resid "53 " and name "HA ")
)(
(segid " " and resid "95 " and name "HD23")
OR
(segid " " and resid "95 " and name "HD22")
OR
(segid " " and resid "95 " and name "HD21")
OR
(segid " " and resid "58 " and name "HG13")
OR
(segid " " and resid "58 " and name "HG12")
OR
(segid " " and resid "58 " and name "HG11")
)
5.000 5.000 0.000 peak 9736 weight 0.10000E+01 volume -0.73000E+00 ppm1 3.908 ppm2 0.914
ASSI (
(segid " " and resid "53 " and name "HA ")
)(
(segid " " and resid "83 " and name "HB3 ")
OR
(segid " " and resid "83 " and name "HB2 ")
OR
(segid " " and resid "59 " and name "HB3 ")
OR
(segid " " and resid "59 " and name "HB2 ")
OR
(segid " " and resid "59 " and name "HB1 ")
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5.000 5.000 0.000 peak 9737 weight 0.10000E+01 volume -0.38300E+00 ppm1 3.915 ppm2 1.326
ASSI (
(segid " " and resid "53 " and name "HA ")
)(
(segid " " and resid "51 " and name "HB1 ")
OR
(segid " " and resid "20 " and name "HG1 ")
OR
(segid " " and resid "20 " and name "HB2 ")
OR
(segid " " and resid "20 " and name "HB1 ")
)
6.000 6.000 0.000 peak 9738 weight 0.10000E+01 volume -0.18000E+00 ppm1 3.902 ppm2 1.952
ASSI (
(segid " " and resid "131 " and name "HG2 ")
)(
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
OR
(segid " " and resid "102 " and name "HG11")
)
5.000 5.000 0.000 peak 9739 weight 0.10000E+01 volume 0.52700E+00 ppm1 1.961 ppm2 0.875
ASSI (
(segid " " and resid "131 " and name "HG1 ")
)(
(segid " " and resid "96 " and name "HG13")
OR
(segid " " and resid "96 " and name "HG12")
OR
(segid " " and resid "96 " and name "HG11")
)
6.000 6.000 0.000 peak 9740 weight 0.10000E+01 volume 0.16300E+00 ppm1 2.070 ppm2 1.118
ASSI (
(segid " " and resid "131 " and name "HG2 ")
)(
(segid " " and resid "130 " and name "HG2 ")
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5.000 5.000 0.000 peak 9741 weight 0.10000E+01 volume 0.43300E+00 ppm1 1.968 ppm2 1.756
ASSI (
(segid " " and resid "131 " and name "HG1 ")
)(
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
OR
(segid " " and resid "102 " and name "HG12")
)
5.000 5.000 0.000 peak 9742 weight 0.10000E+01 volume 0.63800E+00 ppm1 2.079 ppm2 0.874
ASSI (
(segid " " and resid "131 " and name "HG2 ")
)(
(segid " " and resid "96 " and name "HG22")
OR
(segid " " and resid "96 " and name "HG13")
OR
(segid " " and resid "96 " and name "HG12")
OR
(segid " " and resid "96 " and name "HG11")
)
6.000 6.000 0.000 peak 9743 weight 0.10000E+01 volume 0.18800E+00 ppm1 1.967 ppm2 1.124
ASSI (
(segid " " and resid "86 " and name "HA ")
)(
(segid " " and resid "88 " and name "HE2 ")
OR
(segid " " and resid "88 " and name "HE1 ")
OR
(segid " " and resid "53 " and name "HE2 ")
)
6.000 6.000 0.000 peak 9744 weight 0.10000E+01 volume -0.18400E+00 ppm1 4.315 ppm2 7.357
ASSI (
(segid " " and resid "155 " and name "HB2 ")
)(
(segid " " and resid "159 " and name "HD13")
OR
(segid " " and resid "159 " and name "HD12")
OR
(segid " " and resid "159 " and name "HD11")
)
6.000 6.000 0.000 peak 9745 weight 0.10000E+01 volume 0.11600E+00 ppm1 2.873 ppm2 0.905
ASSI (
(segid " " and resid "61 " and name "HG1 ")
)(
(segid " " and resid "57 " and name "HB3 ")
OR
(segid " " and resid "27 " and name "HG2 ")
)
6.000 6.000 0.000 peak 9746 weight 0.10000E+01 volume 0.26800E+00 ppm1 2.457 ppm2 1.473
ASSI (
(segid " " and resid "155 " and name "HB2 ")
)(
(segid " " and resid "158 " and name "HB2 ")
)
6.000 6.000 0.000 peak 9747 weight 0.10000E+01 volume 0.19100E+00 ppm1 2.871 ppm2 2.662
ASSI (
(segid " " and resid "61 " and name "HG2 ")
)(
(segid " " and resid "57 " and name "HB2 ")
OR
(segid " " and resid "27 " and name "HG2 ")
)
5.000 5.000 0.000 peak 9748 weight 0.10000E+01 volume 0.46000E+00 ppm1 2.085 ppm2 1.475
ASSI (
(segid " " and resid "61 " and name "HG1 ")
)(
(segid " " and resid "26 " and name "HG13")
OR
(segid " " and resid "26 " and name "HG12")
OR
(segid " " and resid "26 " and name "HG11")
)
5.000 5.000 0.000 peak 9749 weight 0.10000E+01 volume 0.54300E+00 ppm1 2.447 ppm2 0.933
ASSI (
(segid " " and resid "61 " and name "HG1 ")
)(
(segid " " and resid "30 " and name "HD13")
OR
(segid " " and resid "30 " and name "HD12")
OR
(segid " " and resid "30 " and name "HD11")
)
6.000 6.000 0.000 peak 9750 weight 0.10000E+01 volume 0.13700E+00 ppm1 2.444 ppm2 0.675
ASSI (
(segid " " and resid "61 " and name "HG1 ")
)(
(segid " " and resid "26 " and name "HG23")
OR
(segid " " and resid "26 " and name "HG22")
OR
(segid " " and resid "26 " and name "HG21")
)
6.000 6.000 0.000 peak 9751 weight 0.10000E+01 volume 0.24100E+00 ppm1 2.447 ppm2 0.810
ASSI (
(segid " " and resid "61 " and name "HG2 ")
)(
(segid " " and resid "26 " and name "HG13")
OR
(segid " " and resid "26 " and name "HG12")
OR
(segid " " and resid "26 " and name "HG11")
OR
(segid " " and resid "23 " and name "HG21")
OR
(segid " " and resid "23 " and name "HG13")
)
5.000 5.000 0.000 peak 9752 weight 0.10000E+01 volume 0.79600E+00 ppm1 2.089 ppm2 0.926
ASSI (
(segid " " and resid "61 " and name "HG2 ")
)(
(segid " " and resid "30 " and name "HD12")
OR
(segid " " and resid "30 " and name "HD11")
)
6.000 6.000 0.000 peak 9753 weight 0.10000E+01 volume 0.21000E+00 ppm1 2.098 ppm2 0.675
ASSI (
(segid " " and resid "61 " and name "HG2 ")
)(
(segid " " and resid "26 " and name "HG23")
OR
(segid " " and resid "26 " and name "HG21")
)
5.000 5.000 0.000 peak 9754 weight 0.10000E+01 volume 0.30900E+00 ppm1 2.092 ppm2 0.823
ASSI (
(segid " " and resid "126 " and name "HA ")
OR
(segid " " and resid "107 " and name "HB2 ")
OR
(segid " " and resid "107 " and name "HB1 ")
OR
(segid " " and resid "55 " and name "HB1 ")
)(
(segid " " and resid "148 " and name "HB3 ")
OR
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OR
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OR
(segid " " and resid "139 " and name "HB1 ")
OR
(segid " " and resid "115 " and name "HB2 ")
OR
(segid " " and resid "113 " and name "HG11")
OR
(segid " " and resid "57 " and name "HB3 ")
OR
(segid " " and resid "57 " and name "HB2 ")
OR
(segid " " and resid "57 " and name "HB1 ")
OR
(segid " " and resid "51 " and name "HB2 ")
)
6.000 6.000 0.000 peak 9755 weight 0.10000E+01 volume -0.22300E+00 ppm1 3.986 ppm2 1.439
ASSI (
(segid " " and resid "110 " and name "HB2 ")
OR
(segid " " and resid "55 " and name "HB2 ")
)(
(segid " " and resid "112 " and name "HG1 ")
OR
(segid " " and resid "105 " and name "HB1 ")
OR
(segid " " and resid "60 " and name "HB1 ")
OR
(segid " " and resid "52 " and name "HB2 ")
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6.000 6.000 0.000 peak 9757 weight 0.10000E+01 volume -0.20500E+00 ppm1 3.684 ppm2 1.842
ASSI (
(segid " " and resid "126 " and name "HA ")
)(
(segid " " and resid "159 " and name "HB ")
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5.000 5.000 0.000 peak 9758 weight 0.10000E+01 volume -0.66200E+00 ppm1 3.994 ppm2 1.870
ASSI (
(segid " " and resid "126 " and name "HA ")
OR
(segid " " and resid "107 " and name "HB2 ")
OR
(segid " " and resid "107 " and name "HB1 ")
OR
(segid " " and resid "55 " and name "HB1 ")
)(
(segid " " and resid "165 " and name "HE3 ")
OR
(segid " " and resid "165 " and name "HE2 ")
OR
(segid " " and resid "165 " and name "HE1 ")
OR
(segid " " and resid "115 " and name "HB1 ")
OR
(segid " " and resid "26 " and name "HB ")
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5.000 5.000 0.000 peak 9759 weight 0.10000E+01 volume -0.34200E+00 ppm1 3.995 ppm2 2.180
ASSI (
(segid " " and resid "55 " and name "HB2 ")
)(
(segid " " and resid "58 " and name "HB ")
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5.000 5.000 0.000 peak 9760 weight 0.10000E+01 volume -0.36300E+00 ppm1 3.694 ppm2 2.313
ASSI (
(segid " " and resid "35 " and name "HA ")
)(
(segid " " and resid "36 " and name "HB1 ")
OR
(segid " " and resid "13 " and name "HD2 ")
OR
(segid " " and resid "13 " and name "HD1 ")
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6.000 6.000 0.000 peak 9762 weight 0.10000E+01 volume -0.12100E+00 ppm1 3.781 ppm2 3.221
ASSI (
(segid " " and resid "55 " and name "HB2 ")
)(
(segid " " and resid "56 " and name "HD2 ")
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5.000 5.000 0.000 peak 9763 weight 0.10000E+01 volume -0.30600E+00 ppm1 3.688 ppm2 3.370
ASSI (
(segid " " and resid "55 " and name "HB2 ")
)(
(segid " " and resid "57 " and name "HB3 ")
OR
(segid " " and resid "57 " and name "HB2 ")
OR
(segid " " and resid "57 " and name "HB1 ")
)
6.000 6.000 0.000 peak 9764 weight 0.10000E+01 volume -0.14800E+00 ppm1 3.685 ppm2 1.460
ASSI (
(segid " " and resid "35 " and name "HA ")
)(
(segid " " and resid "36 " and name "HA ")
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6.000 6.000 0.000 peak 9765 weight 0.10000E+01 volume -0.18400E+00 ppm1 3.789 ppm2 4.357
ASSI (
(segid " " and resid "55 " and name "HB1 ")
)(
(segid " " and resid "56 " and name "HD2 ")
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5.000 5.000 0.000 peak 9766 weight 0.10000E+01 volume -0.55100E+00 ppm1 3.994 ppm2 3.366
ASSI (
(segid " " and resid "35 " and name "HA ")
)(
(segid " " and resid "33 " and name "HG2 ")
OR
(segid " " and resid "33 " and name "HG1 ")
OR
(segid " " and resid "10 " and name "HB ")
)
5.000 5.000 0.000 peak 9767 weight 0.10000E+01 volume -0.11690E+01 ppm1 3.790 ppm2 2.245
ASSI (
(segid " " and resid "107 " and name "HB2 ")
OR
(segid " " and resid "107 " and name "HB1 ")
)(
(segid " " and resid "108 " and name "HG23")
OR
(segid " " and resid "108 " and name "HG22")
OR
(segid " " and resid "108 " and name "HG21")
)
5.000 5.000 0.000 peak 9769 weight 0.10000E+01 volume -0.12470E+01 ppm1 4.001 ppm2 1.145
ASSI (
(segid " " and resid "110 " and name "HB2 ")
)(
(segid " " and resid "147 " and name "HD12")
OR
(segid " " and resid "108 " and name "HG23")
OR
(segid " " and resid "108 " and name "HG22")
OR
(segid " " and resid "108 " and name "HG21")
)
5.000 5.000 0.000 peak 9770 weight 0.10000E+01 volume -0.38000E+00 ppm1 3.701 ppm2 1.166
ASSI (
(segid " " and resid "35 " and name "HA ")
)(
(segid " " and resid "14 " and name "HB1 ")
OR
(segid " " and resid "3 " and name "HE3 ")
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5.000 5.000 0.000 peak 9771 weight 0.10000E+01 volume -0.39100E+00 ppm1 3.790 ppm2 2.068
ASSI (
(segid " " and resid "8 " and name "HA ")
)(
(segid " " and resid "41 " and name "HA ")
OR
(segid " " and resid "2 " and name "HA ")
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6.000 6.000 0.000 peak 9772 weight 0.10000E+01 volume -0.21600E+00 ppm1 4.182 ppm2 4.529
ASSI (
(segid " " and resid "33 " and name "HG2 ")
)(
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6.000 6.000 0.000 peak 9833 weight 0.10000E+01 volume -0.15700E+00 ppm1 6.957 ppm2 0.756
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OR
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ASSI (
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ASSI (
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OR
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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ASSI (
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6.000 6.000 0.000 peak 9856 weight 0.10000E+01 volume -0.15300E+00 ppm1 4.170 ppm2 3.274
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ASSI (
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ASSI (
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ASSI (
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6.000 6.000 0.000 peak 9860 weight 0.10000E+01 volume 0.27100E+00 ppm1 1.911 ppm2 3.735
ASSI (
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6.000 6.000 0.000 peak 9862 weight 0.10000E+01 volume -0.24600E+00 ppm1 4.288 ppm2 1.334
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5.000 5.000 0.000 peak 9863 weight 0.10000E+01 volume 0.43200E+00 ppm1 2.574 ppm2 0.956
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6.000 6.000 0.000 peak 9864 weight 0.10000E+01 volume 0.28200E+00 ppm1 2.925 ppm2 1.190
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6.000 6.000 0.000 peak 9865 weight 0.10000E+01 volume 0.16000E+00 ppm1 2.944 ppm2 0.848
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2.700 2.700 0.000 peak 9866 weight 0.10000E+01 volume 0.47490E+01 ppm1 2.573 ppm2 2.938
ASSI (
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2.700 2.700 0.000 peak 9867 weight 0.10000E+01 volume 0.42180E+01 ppm1 2.945 ppm2 2.570
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5.000 5.000 0.000 peak 9868 weight 0.10000E+01 volume 0.56700E+00 ppm1 2.951 ppm2 0.962
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6.000 6.000 0.000 peak 9869 weight 0.10000E+01 volume -0.18900E+00 ppm1 4.448 ppm2 1.913
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6.000 6.000 0.000 peak 9870 weight 0.10000E+01 volume -0.29100E+00 ppm1 4.448 ppm2 2.020
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6.000 6.000 0.000 peak 9871 weight 0.10000E+01 volume -0.19800E+00 ppm1 4.448 ppm2 2.100
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6.000 6.000 0.000 peak 9872 weight 0.10000E+01 volume -0.15900E+00 ppm1 4.288 ppm2 5.009
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6.000 6.000 0.000 peak 9873 weight 0.10000E+01 volume -0.89000E-01 ppm1 4.288 ppm2 7.464
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5.000 5.000 0.000 peak 9874 weight 0.10000E+01 volume -0.33700E+00 ppm1 4.279 ppm2 2.023
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6.000 6.000 0.000 peak 9875 weight 0.10000E+01 volume 0.16400E+00 ppm1 2.564 ppm2 0.843
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6.000 6.000 0.000 peak 9876 weight 0.10000E+01 volume 0.28500E+00 ppm1 2.586 ppm2 1.196
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5.000 5.000 0.000 peak 9877 weight 0.10000E+01 volume -0.15230E+01 ppm1 3.888 ppm2 1.913
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5.000 5.000 0.000 peak 9878 weight 0.10000E+01 volume -0.14840E+01 ppm1 3.888 ppm2 1.967
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5.000 5.000 0.000 peak 10153 weight 0.10000E+01 volume -0.45200E+00 ppm1 1.540 ppm2 0.712
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6.000 6.000 0.000 peak 10162 weight 0.10000E+01 volume 0.16300E+00 ppm1 3.692 ppm2 1.695
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6.000 6.000 0.000 peak 10166 weight 0.10000E+01 volume 0.23300E+00 ppm1 4.232 ppm2 4.912
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6.000 6.000 0.000 peak 10167 weight 0.10000E+01 volume 0.23600E+00 ppm1 3.784 ppm2 1.823
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6.000 6.000 0.000 peak 10170 weight 0.10000E+01 volume 0.18400E+00 ppm1 3.789 ppm2 4.905
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(segid " " and resid "121 " and name "HA ")
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(segid " " and resid "116 " and name "HB3 ")
OR
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OR
(segid " " and resid "84 " and name "HB3 ")
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6.000 6.000 0.000 peak 10508 weight 0.10000E+01 volume 0.11100E+00 ppm1 5.225 ppm2 1.493
ASSI (
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OR
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OR
(segid " " and resid "30 " and name "HD11")
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OR
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5.000 5.000 0.000 peak 10509 weight 0.10000E+01 volume -0.38300E+00 ppm1 0.671 ppm2 4.090
ASSI (
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OR
(segid " " and resid "30 " and name "HD12")
OR
(segid " " and resid "30 " and name "HD11")
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OR
(segid " " and resid "26 " and name "HB ")
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5.000 5.000 0.000 peak 10510 weight 0.10000E+01 volume -0.79200E+00 ppm1 0.662 ppm2 2.179
ASSI (
(segid " " and resid "65 " and name "HA ")
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OR
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6.000 6.000 0.000 peak 10511 weight 0.10000E+01 volume 0.29500E+00 ppm1 4.511 ppm2 1.662
ASSI (
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OR
(segid " " and resid "48 " and name "HD12")
OR
(segid " " and resid "48 " and name "HD11")
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OR
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OR
(segid " " and resid "67 " and name "HB1 ")
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3.300 3.300 0.000 peak 10512 weight 0.10000E+01 volume -0.20280E+01 ppm1 0.819 ppm2 1.139
ASSI (
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OR
(segid " " and resid "48 " and name "HD12")
OR
(segid " " and resid "48 " and name "HD11")
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OR
(segid " " and resid "68 " and name "HA ")
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6.000 6.000 0.000 peak 10513 weight 0.10000E+01 volume -0.14000E+00 ppm1 0.819 ppm2 4.742
ASSI (
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(segid " " and resid "23 " and name "HG21")
OR
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OR
(segid " " and resid "23 " and name "HG12")
OR
(segid " " and resid "23 " and name "HG11")
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5.000 5.000 0.000 peak 10515 weight 0.10000E+01 volume -0.53300E+00 ppm1 2.180 ppm2 0.926
ASSI (
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(segid " " and resid "47 " and name "HA ")
OR
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6.000 6.000 0.000 peak 10516 weight 0.10000E+01 volume 0.16700E+00 ppm1 4.364 ppm2 4.035
ASSI (
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5.000 5.000 0.000 peak 10517 weight 0.10000E+01 volume 0.32100E+00 ppm1 4.365 ppm2 4.792
ASSI (
(segid " " and resid "45 " and name "HA ")
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(segid " " and resid "40 " and name "HD23")
OR
(segid " " and resid "40 " and name "HD21")
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6.000 6.000 0.000 peak 10518 weight 0.10000E+01 volume 0.26200E+00 ppm1 4.827 ppm2 0.665
ASSI (
(segid " " and resid "40 " and name "HA ")
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OR
(segid " " and resid "47 " and name "HB2 ")
OR
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OR
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OR
(segid " " and resid "46 " and name "HG22")
OR
(segid " " and resid "46 " and name "HG21")
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5.000 5.000 0.000 peak 10519 weight 0.10000E+01 volume 0.83700E+00 ppm1 4.364 ppm2 1.202
ASSI (
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OR
(segid " " and resid "156 " and name "HD12")
OR
(segid " " and resid "156 " and name "HD11")
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OR
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6.000 6.000 0.000 peak 10520 weight 0.10000E+01 volume -0.19100E+00 ppm1 1.001 ppm2 2.998
ASSI (
(segid " " and resid "45 " and name "HA ")
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(segid " " and resid "46 " and name "HG22")
OR
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5.000 5.000 0.000 peak 10521 weight 0.10000E+01 volume 0.38500E+00 ppm1 4.819 ppm2 1.183
ASSI (
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ASSI (
(segid " " and resid "40 " and name "HA ")
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(segid " " and resid "45 " and name "HG1 ")
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OR
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OR
(segid " " and resid "39 " and name "HB1 ")
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6.000 6.000 0.000 peak 10523 weight 0.10000E+01 volume 0.22100E+00 ppm1 4.364 ppm2 1.405
ASSI (
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OR
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OR
(segid " " and resid "156 " and name "HD11")
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6.000 6.000 0.000 peak 10524 weight 0.10000E+01 volume -0.16900E+00 ppm1 0.993 ppm2 3.304
ASSI (
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5.000 5.000 0.000 peak 10525 weight 0.10000E+01 volume 0.30100E+00 ppm1 4.365 ppm2 4.751
ASSI (
(segid " " and resid "156 " and name "HD13")
OR
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OR
(segid " " and resid "156 " and name "HD11")
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(segid " " and resid "148 " and name "HA ")
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5.000 5.000 0.000 peak 10526 weight 0.10000E+01 volume -0.11410E+01 ppm1 0.992 ppm2 3.749
ASSI (
(segid " " and resid "156 " and name "HD13")
OR
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OR
(segid " " and resid "156 " and name "HD11")
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(segid " " and resid "152 " and name "HA2 ")
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5.000 5.000 0.000 peak 10527 weight 0.10000E+01 volume -0.10890E+01 ppm1 0.993 ppm2 3.874
ASSI (
(segid " " and resid "156 " and name "HD13")
OR
(segid " " and resid "156 " and name "HD12")
OR
(segid " " and resid "156 " and name "HD11")
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OR
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5.000 5.000 0.000 peak 10528 weight 0.10000E+01 volume -0.10200E+01 ppm1 0.993 ppm2 4.021
ASSI (
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)(
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OR
(segid " " and resid "27 " and name "HG1 ")
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6.000 6.000 0.000 peak 10529 weight 0.10000E+01 volume -0.29700E+00 ppm1 2.180 ppm2 1.700
ASSI (
(segid " " and resid "137 " and name "HA ")
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5.000 5.000 0.000 peak 10531 weight 0.10000E+01 volume 0.43300E+00 ppm1 4.224 ppm2 5.384
ASSI (
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OR
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5.000 5.000 0.000 peak 10532 weight 0.10000E+01 volume 0.60800E+00 ppm1 4.980 ppm2 2.153
ASSI (
(segid " " and resid "137 " and name "HA ")
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OR
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OR
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5.000 5.000 0.000 peak 10533 weight 0.10000E+01 volume 0.33000E+00 ppm1 4.229 ppm2 3.712
ASSI (
(segid " " and resid "137 " and name "HA ")
OR
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OR
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6.000 6.000 0.000 peak 10534 weight 0.10000E+01 volume 0.21500E+00 ppm1 4.234 ppm2 4.655
ASSI (
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OR
(segid " " and resid "102 " and name "HG13")
OR
(segid " " and resid "102 " and name "HG12")
OR
(segid " " and resid "102 " and name "HG11")
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5.000 5.000 0.000 peak 10535 weight 0.10000E+01 volume 0.61200E+00 ppm1 4.550 ppm2 0.867
ASSI (
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6.000 6.000 0.000 peak 10537 weight 0.10000E+01 volume 0.11700E+00 ppm1 4.232 ppm2 4.920
ASSI (
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6.000 6.000 0.000 peak 10538 weight 0.10000E+01 volume 0.20100E+00 ppm1 4.560 ppm2 4.136
ASSI (
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(segid " " and resid "92 " and name "HD11")
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6.000 6.000 0.000 peak 10542 weight 0.10000E+01 volume -0.27600E+00 ppm1 0.963 ppm2 2.392
ASSI (
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OR
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OR
(segid " " and resid "25 " and name "HA ")
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6.000 6.000 0.000 peak 10543 weight 0.10000E+01 volume 0.24200E+00 ppm1 4.128 ppm2 4.604
ASSI (
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(segid " " and resid "17 " and name "HA ")
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OR
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OR
(segid " " and resid "29 " and name "HD12")
OR
(segid " " and resid "29 " and name "HD11")
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5.000 5.000 0.000 peak 10544 weight 0.10000E+01 volume 0.50500E+00 ppm1 4.139 ppm2 0.761
ASSI (
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5.000 5.000 0.000 peak 10545 weight 0.10000E+01 volume 0.79900E+00 ppm1 4.136 ppm2 3.059
ASSI (
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6.000 6.000 0.000 peak 10546 weight 0.10000E+01 volume 0.28100E+00 ppm1 4.128 ppm2 3.245
ASSI (
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6.000 6.000 0.000 peak 10547 weight 0.10000E+01 volume -0.22800E+00 ppm1 1.483 ppm2 4.000
ASSI (
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(segid " " and resid "92 " and name "HD11")
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OR
(segid " " and resid "89 " and name "HD21")
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3.300 3.300 0.000 peak 10548 weight 0.10000E+01 volume -0.20710E+01 ppm1 0.952 ppm2 0.605
ASSI (
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(segid " " and resid "117 " and name "HG12")
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3.300 3.300 0.000 peak 10550 weight 0.10000E+01 volume -0.23690E+01 ppm1 1.193 ppm2 0.766
ASSI (
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OR
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5.000 5.000 0.000 peak 10551 weight 0.10000E+01 volume -0.87400E+00 ppm1 1.496 ppm2 0.933
ASSI (
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6.000 6.000 0.000 peak 10552 weight 0.10000E+01 volume -0.23700E+00 ppm1 1.193 ppm2 2.394
ASSI (
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5.000 5.000 0.000 peak 10553 weight 0.10000E+01 volume -0.38100E+00 ppm1 1.696 ppm2 2.454
ASSI (
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(segid " " and resid "147 " and name "HD11")
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6.000 6.000 0.000 peak 10554 weight 0.10000E+01 volume -0.12700E+00 ppm1 1.193 ppm2 2.981
ASSI (
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5.000 5.000 0.000 peak 10555 weight 0.10000E+01 volume -0.51100E+00 ppm1 1.193 ppm2 3.274
ASSI (
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5.000 5.000 0.000 peak 10556 weight 0.10000E+01 volume -0.15030E+01 ppm1 0.952 ppm2 3.728
ASSI (
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5.000 5.000 0.000 peak 10557 weight 0.10000E+01 volume -0.98300E+00 ppm1 0.960 ppm2 3.996
ASSI (
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5.000 5.000 0.000 peak 10558 weight 0.10000E+01 volume -0.37100E+00 ppm1 1.673 ppm2 4.288
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5.000 5.000 0.000 peak 10559 weight 0.10000E+01 volume -0.75500E+00 ppm1 0.952 ppm2 7.224
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5.000 5.000 0.000 peak 10560 weight 0.10000E+01 volume 0.82300E+00 ppm1 4.139 ppm2 2.429
ASSI (
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5.000 5.000 0.000 peak 10562 weight 0.10000E+01 volume 0.34200E+00 ppm1 4.127 ppm2 4.508
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6.000 6.000 0.000 peak 10563 weight 0.10000E+01 volume 0.22500E+00 ppm1 3.706 ppm2 4.128
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5.000 5.000 0.000 peak 10564 weight 0.10000E+01 volume 0.65300E+00 ppm1 3.439 ppm2 0.942
ASSI (
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5.000 5.000 0.000 peak 10565 weight 0.10000E+01 volume -0.10250E+01 ppm1 1.193 ppm2 3.987
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5.000 5.000 0.000 peak 10566 weight 0.10000E+01 volume -0.30600E+00 ppm1 1.684 ppm2 3.554
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6.000 6.000 0.000 peak 10567 weight 0.10000E+01 volume 0.21600E+00 ppm1 4.130 ppm2 3.464
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6.000 6.000 0.000 peak 10569 weight 0.10000E+01 volume -0.20900E+00 ppm1 0.549 ppm2 1.782
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6.000 6.000 0.000 peak 10571 weight 0.10000E+01 volume 0.12500E+00 ppm1 3.441 ppm2 1.684
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5.000 5.000 0.000 peak 10573 weight 0.10000E+01 volume -0.89700E+00 ppm1 1.806 ppm2 3.888
ASSI (
(segid " " and resid "84 " and name "HA ")
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OR
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6.000 6.000 0.000 peak 10574 weight 0.10000E+01 volume 0.18500E+00 ppm1 3.992 ppm2 0.595
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OR
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OR
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OR
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OR
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5.000 5.000 0.000 peak 10575 weight 0.10000E+01 volume 0.94400E+00 ppm1 4.288 ppm2 1.319
ASSI (
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OR
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5.000 5.000 0.000 peak 10576 weight 0.10000E+01 volume 0.65500E+00 ppm1 3.990 ppm2 3.732
ASSI (
(segid " " and resid "161 " and name "HB2 ")
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OR
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5.000 5.000 0.000 peak 10577 weight 0.10000E+01 volume -0.86800E+00 ppm1 2.128 ppm2 0.996
ASSI (
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OR
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5.000 5.000 0.000 peak 10578 weight 0.10000E+01 volume -0.88100E+00 ppm1 1.673 ppm2 2.207
ASSI (
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6.000 6.000 0.000 peak 10579 weight 0.10000E+01 volume -0.24700E+00 ppm1 1.486 ppm2 2.447
ASSI (
(segid " " and resid "161 " and name "HB2 ")
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5.000 5.000 0.000 peak 10580 weight 0.10000E+01 volume -0.70000E+00 ppm1 2.127 ppm2 4.342
ASSI (
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6.000 6.000 0.000 peak 10581 weight 0.10000E+01 volume -0.15900E+00 ppm1 1.682 ppm2 4.674
ASSI (
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OR
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OR
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OR
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OR
(segid " " and resid "30 " and name "HD22")
OR
(segid " " and resid "30 " and name "HD21")
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5.000 5.000 0.000 peak 10582 weight 0.10000E+01 volume 0.77900E+00 ppm1 3.992 ppm2 0.721
ASSI (
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OR
(segid " " and resid "17 " and name "HA ")
OR
(segid " " and resid "14 " and name "HA ")
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5.000 5.000 0.000 peak 10583 weight 0.10000E+01 volume 0.76100E+00 ppm1 3.853 ppm2 4.118
ASSI (
(segid " " and resid "59 " and name "HA ")
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(segid " " and resid "63 " and name "HD12")
OR
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OR
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OR
(segid " " and resid "62 " and name "HD11")
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5.000 5.000 0.000 peak 10584 weight 0.10000E+01 volume 0.15330E+01 ppm1 3.726 ppm2 0.690
ASSI (
(segid " " and resid "59 " and name "HA ")
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OR
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OR
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OR
(segid " " and resid "58 " and name "HG11")
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3.300 3.300 0.000 peak 10585 weight 0.10000E+01 volume 0.35210E+01 ppm1 3.739 ppm2 0.950
ASSI (
(segid " " and resid "161 " and name "HB1 ")
)(
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5.000 5.000 0.000 peak 10586 weight 0.10000E+01 volume -0.63100E+00 ppm1 2.202 ppm2 4.337
ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
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OR
(segid " " and resid "108 " and name "HG21")
OR
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OR
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OR
(segid " " and resid "94 " and name "HG11")
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5.000 5.000 0.000 peak 10587 weight 0.10000E+01 volume 0.68400E+00 ppm1 4.101 ppm2 1.190
ASSI (
(segid " " and resid "59 " and name "HA ")
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OR
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OR
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OR
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OR
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5.000 5.000 0.000 peak 10588 weight 0.10000E+01 volume 0.11430E+01 ppm1 3.728 ppm2 1.174
ASSI (
(segid " " and resid "161 " and name "HB1 ")
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OR
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6.000 6.000 0.000 peak 10589 weight 0.10000E+01 volume -0.20200E+00 ppm1 2.206 ppm2 2.744
ASSI (
(segid " " and resid "59 " and name "HA ")
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5.000 5.000 0.000 peak 10590 weight 0.10000E+01 volume 0.79400E+00 ppm1 3.725 ppm2 1.844
ASSI (
(segid " " and resid "59 " and name "HA ")
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OR
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OR
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5.000 5.000 0.000 peak 10591 weight 0.10000E+01 volume 0.79200E+00 ppm1 3.730 ppm2 1.699
ASSI (
(segid " " and resid "59 " and name "HA ")
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OR
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OR
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OR
(segid " " and resid "48 " and name "HD22")
OR
(segid " " and resid "48 " and name "HD21")
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3.300 3.300 0.000 peak 10592 weight 0.10000E+01 volume 0.21530E+01 ppm1 3.731 ppm2 0.801
ASSI (
(segid " " and resid "57 " and name "HA ")
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(segid " " and resid "60 " and name "HB1 ")
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5.000 5.000 0.000 peak 10593 weight 0.10000E+01 volume 0.11880E+01 ppm1 4.102 ppm2 1.805
ASSI (
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OR
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6.000 6.000 0.000 peak 10594 weight 0.10000E+01 volume -0.17200E+00 ppm1 2.404 ppm2 1.509
ASSI (
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OR
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6.000 6.000 0.000 peak 10595 weight 0.10000E+01 volume 0.15000E+00 ppm1 3.814 ppm2 7.324
ASSI (
(segid " " and resid "83 " and name "HA ")
)(
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OR
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5.000 5.000 0.000 peak 10596 weight 0.10000E+01 volume 0.43000E+00 ppm1 3.799 ppm2 4.342
ASSI (
(segid " " and resid "148 " and name "HA ")
OR
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)(
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OR
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OR
(segid " " and resid "48 " and name "HB1 ")
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5.000 5.000 0.000 peak 10597 weight 0.10000E+01 volume 0.85700E+00 ppm1 3.725 ppm2 1.556
ASSI (
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OR
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5.000 5.000 0.000 peak 10598 weight 0.10000E+01 volume 0.40300E+00 ppm1 3.831 ppm2 2.174
ASSI (
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OR
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5.000 5.000 0.000 peak 10599 weight 0.10000E+01 volume -0.30600E+00 ppm1 1.618 ppm2 2.423
ASSI (
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OR
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5.000 5.000 0.000 peak 10600 weight 0.10000E+01 volume -0.11070E+01 ppm1 1.620 ppm2 1.193
ASSI (
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OR
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5.000 5.000 0.000 peak 10601 weight 0.10000E+01 volume 0.44400E+00 ppm1 3.801 ppm2 7.195
ASSI (
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OR
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OR
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OR
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OR
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OR
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OR
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5.000 5.000 0.000 peak 10602 weight 0.10000E+01 volume 0.63500E+00 ppm1 3.846 ppm2 4.289
ASSI (
(segid " " and resid "83 " and name "HA ")
OR
(segid " " and resid "18 " and name "HA ")
)(
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OR
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OR
(segid " " and resid "52 " and name "HG2 ")
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6.000 6.000 0.000 peak 10603 weight 0.10000E+01 volume 0.26300E+00 ppm1 3.805 ppm2 2.543
ASSI (
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5.000 5.000 0.000 peak 10604 weight 0.10000E+01 volume 0.45900E+00 ppm1 3.845 ppm2 2.311
ASSI (
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OR
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OR
(segid " " and resid "147 " and name "HD21")
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5.000 5.000 0.000 peak 10605 weight 0.10000E+01 volume -0.81700E+00 ppm1 2.407 ppm2 1.033
ASSI (
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6.000 6.000 0.000 peak 10606 weight 0.10000E+01 volume 0.16600E+00 ppm1 3.800 ppm2 7.440
ASSI (
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OR
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6.000 6.000 0.000 peak 10607 weight 0.10000E+01 volume 0.24200E+00 ppm1 3.864 ppm2 7.121
ASSI (
(segid " " and resid "134 " and name "HA ")
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OR
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OR
(segid " " and resid "133 " and name "HA ")
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6.000 6.000 0.000 peak 10608 weight 0.10000E+01 volume 0.18000E+00 ppm1 3.872 ppm2 4.703
ASSI (
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OR
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OR
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3.300 3.300 0.000 peak 10609 weight 0.10000E+01 volume 0.27740E+01 ppm1 3.752 ppm2 0.775
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10610 weight 0.10000E+01 volume 0.13900E+01 ppm1 3.749 ppm2 1.796
ASSI (
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OR
(segid " " and resid "30 " and name "HD22")
OR
(segid " " and resid "30 " and name "HD21")
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5.000 5.000 0.000 peak 10611 weight 0.10000E+01 volume -0.79800E+00 ppm1 2.180 ppm2 0.766
ASSI (
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OR
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OR
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OR
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OR
(segid " " and resid "62 " and name "HD22")
OR
(segid " " and resid "62 " and name "HD21")
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5.000 5.000 0.000 peak 10612 weight 0.10000E+01 volume -0.11130E+01 ppm1 2.184 ppm2 0.912
ASSI (
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6.000 6.000 0.000 peak 10613 weight 0.10000E+01 volume -0.14200E+00 ppm1 2.180 ppm2 3.301
ASSI (
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OR
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5.000 5.000 0.000 peak 10614 weight 0.10000E+01 volume -0.37900E+00 ppm1 2.153 ppm2 3.861
ASSI (
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5.000 5.000 0.000 peak 10615 weight 0.10000E+01 volume -0.53300E+00 ppm1 2.180 ppm2 0.676
ASSI (
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OR
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5.000 5.000 0.000 peak 10616 weight 0.10000E+01 volume 0.14520E+01 ppm1 4.717 ppm2 1.253
ASSI (
(segid " " and resid "65 " and name "HB2 ")
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(segid " " and resid "30 " and name "HD22")
OR
(segid " " and resid "30 " and name "HD21")
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5.000 5.000 0.000 peak 10617 weight 0.10000E+01 volume -0.11510E+01 ppm1 2.039 ppm2 0.783
ASSI (
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OR
(segid " " and resid "29 " and name "HD21")
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5.000 5.000 0.000 peak 10618 weight 0.10000E+01 volume -0.52300E+00 ppm1 2.418 ppm2 0.768
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OR
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5.000 5.000 0.000 peak 10619 weight 0.10000E+01 volume -0.12520E+01 ppm1 2.034 ppm2 0.671
ASSI (
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OR
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5.000 5.000 0.000 peak 10620 weight 0.10000E+01 volume -0.85400E+00 ppm1 2.417 ppm2 0.975
ASSI (
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5.000 5.000 0.000 peak 10621 weight 0.10000E+01 volume -0.73900E+00 ppm1 2.326 ppm2 0.767
ASSI (
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OR
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5.000 5.000 0.000 peak 10622 weight 0.10000E+01 volume -0.11940E+01 ppm1 2.330 ppm2 0.980
ASSI (
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5.000 5.000 0.000 peak 10623 weight 0.10000E+01 volume -0.35400E+00 ppm1 2.394 ppm2 1.139
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5.000 5.000 0.000 peak 10624 weight 0.10000E+01 volume -0.58600E+00 ppm1 2.410 ppm2 3.896
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5.000 5.000 0.000 peak 10625 weight 0.10000E+01 volume -0.41200E+00 ppm1 2.319 ppm2 4.456
ASSI (
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6.000 6.000 0.000 peak 10626 weight 0.10000E+01 volume 0.27100E+00 ppm1 4.506 ppm2 4.018
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5.000 5.000 0.000 peak 10627 weight 0.10000E+01 volume 0.32700E+00 ppm1 4.510 ppm2 4.151
ASSI (
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6.000 6.000 0.000 peak 10628 weight 0.10000E+01 volume 0.18600E+00 ppm1 4.285 ppm2 3.748
ASSI (
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6.000 6.000 0.000 peak 10629 weight 0.10000E+01 volume 0.23700E+00 ppm1 4.295 ppm2 1.037
ASSI (
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5.000 5.000 0.000 peak 10630 weight 0.10000E+01 volume 0.46500E+00 ppm1 4.293 ppm2 2.341
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5.000 5.000 0.000 peak 10631 weight 0.10000E+01 volume 0.34800E+00 ppm1 4.296 ppm2 1.380
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OR
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OR
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5.000 5.000 0.000 peak 10632 weight 0.10000E+01 volume 0.36600E+00 ppm1 4.753 ppm2 0.815
ASSI (
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OR
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OR
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OR
(segid " " and resid "19 " and name "HB1 ")
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5.000 5.000 0.000 peak 10633 weight 0.10000E+01 volume 0.49600E+00 ppm1 4.501 ppm2 1.571
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10634 weight 0.10000E+01 volume 0.52800E+00 ppm1 4.764 ppm2 1.950
ASSI (
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OR
(segid " " and resid "64 " and name "HD1 ")
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OR
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OR
(segid " " and resid "60 " and name "HD21")
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3.300 3.300 0.000 peak 10635 weight 0.10000E+01 volume -0.21060E+01 ppm1 1.697 ppm2 0.957
ASSI (
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OR
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ASSI (
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ASSI (
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ASSI (
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5.000 5.000 0.000 peak 10639 weight 0.10000E+01 volume -0.39300E+00 ppm1 1.958 ppm2 4.627
ASSI (
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OR
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6.000 6.000 0.000 peak 10640 weight 0.10000E+01 volume 0.24900E+00 ppm1 4.375 ppm2 0.765
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10641 weight 0.10000E+01 volume 0.11230E+01 ppm1 4.476 ppm2 2.664
ASSI (
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OR
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6.000 6.000 0.000 peak 10642 weight 0.10000E+01 volume -0.18600E+00 ppm1 2.858 ppm2 0.824
ASSI (
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OR
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6.000 6.000 0.000 peak 10643 weight 0.10000E+01 volume -0.20200E+00 ppm1 1.451 ppm2 2.357
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10644 weight 0.10000E+01 volume -0.14340E+01 ppm1 1.452 ppm2 0.834
ASSI (
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6.000 6.000 0.000 peak 10645 weight 0.10000E+01 volume -0.17000E+00 ppm1 1.448 ppm2 7.324
ASSI (
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5.000 5.000 0.000 peak 10646 weight 0.10000E+01 volume -0.36500E+00 ppm1 3.139 ppm2 2.397
ASSI (
(segid " " and resid "121 " and name "HB2 ")
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(segid " " and resid "124 " and name "HG23")
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OR
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5.000 5.000 0.000 peak 10647 weight 0.10000E+01 volume -0.74300E+00 ppm1 3.007 ppm2 0.957
ASSI (
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5.000 5.000 0.000 peak 10648 weight 0.10000E+01 volume -0.37100E+00 ppm1 3.019 ppm2 2.396
ASSI (
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6.000 6.000 0.000 peak 10649 weight 0.10000E+01 volume -0.25200E+00 ppm1 3.003 ppm2 2.596
ASSI (
(segid " " and resid "121 " and name "HB1 ")
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OR
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5.000 5.000 0.000 peak 10650 weight 0.10000E+01 volume -0.62100E+00 ppm1 3.140 ppm2 0.953
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10652 weight 0.10000E+01 volume 0.12080E+01 ppm1 3.783 ppm2 0.695
ASSI (
(segid " " and resid "151 " and name "HB2 ")
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OR
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5.000 5.000 0.000 peak 10653 weight 0.10000E+01 volume -0.81500E+00 ppm1 1.803 ppm2 1.366
ASSI (
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5.000 5.000 0.000 peak 10654 weight 0.10000E+01 volume 0.40700E+00 ppm1 3.785 ppm2 1.976
ASSI (
(segid " " and resid "48 " and name "HA ")
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OR
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5.000 5.000 0.000 peak 10655 weight 0.10000E+01 volume 0.58200E+00 ppm1 3.788 ppm2 0.927
ASSI (
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5.000 5.000 0.000 peak 10656 weight 0.10000E+01 volume 0.45500E+00 ppm1 3.780 ppm2 1.172
ASSI (
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6.000 6.000 0.000 peak 10657 weight 0.10000E+01 volume 0.26000E+00 ppm1 3.784 ppm2 2.334
ASSI (
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OR
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5.000 5.000 0.000 peak 10658 weight 0.10000E+01 volume -0.69100E+00 ppm1 2.323 ppm2 0.953
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10659 weight 0.10000E+01 volume 0.49500E+00 ppm1 4.283 ppm2 1.664
ASSI (
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5.000 5.000 0.000 peak 10660 weight 0.10000E+01 volume -0.79500E+00 ppm1 1.192 ppm2 1.304
ASSI (
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5.000 5.000 0.000 peak 10661 weight 0.10000E+01 volume -0.87700E+00 ppm1 1.188 ppm2 1.447
ASSI (
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5.000 5.000 0.000 peak 10662 weight 0.10000E+01 volume -0.11470E+01 ppm1 1.180 ppm2 1.956
ASSI (
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6.000 6.000 0.000 peak 10663 weight 0.10000E+01 volume -0.29300E+00 ppm1 1.186 ppm2 3.904
ASSI (
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(segid " " and resid "29 " and name "HD13")
OR
(segid " " and resid "29 " and name "HD11")
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6.000 6.000 0.000 peak 10664 weight 0.10000E+01 volume 0.22300E+00 ppm1 4.468 ppm2 0.774
ASSI (
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5.000 5.000 0.000 peak 10665 weight 0.10000E+01 volume -0.82500E+00 ppm1 1.326 ppm2 0.891
ASSI (
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6.000 6.000 0.000 peak 10666 weight 0.10000E+01 volume -0.14800E+00 ppm1 3.010 ppm2 4.170
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6.000 6.000 0.000 peak 10667 weight 0.10000E+01 volume -0.13800E+00 ppm1 1.445 ppm2 7.120
ASSI (
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5.000 5.000 0.000 peak 10668 weight 0.10000E+01 volume 0.40800E+00 ppm1 4.668 ppm2 1.971
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6.000 6.000 0.000 peak 10669 weight 0.10000E+01 volume 0.21500E+00 ppm1 4.464 ppm2 3.897
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OR
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5.000 5.000 0.000 peak 10670 weight 0.10000E+01 volume 0.41800E+00 ppm1 4.471 ppm2 0.956
ASSI (
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5.000 5.000 0.000 peak 10671 weight 0.10000E+01 volume -0.15630E+01 ppm1 2.328 ppm2 1.954
ASSI (
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5.000 5.000 0.000 peak 10672 weight 0.10000E+01 volume -0.42500E+00 ppm1 2.330 ppm2 1.327
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6.000 6.000 0.000 peak 10673 weight 0.10000E+01 volume 0.11600E+00 ppm1 4.449 ppm2 1.815
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5.000 5.000 0.000 peak 10674 weight 0.10000E+01 volume -0.10470E+01 ppm1 2.068 ppm2 1.195
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5.000 5.000 0.000 peak 10675 weight 0.10000E+01 volume 0.35500E+00 ppm1 4.155 ppm2 3.771
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5.000 5.000 0.000 peak 10676 weight 0.10000E+01 volume -0.17500E+01 ppm1 1.478 ppm2 0.859
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5.000 5.000 0.000 peak 10678 weight 0.10000E+01 volume 0.46400E+00 ppm1 4.146 ppm2 1.401
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3.300 3.300 0.000 peak 10679 weight 0.10000E+01 volume 0.22920E+01 ppm1 4.156 ppm2 0.901
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5.000 5.000 0.000 peak 10680 weight 0.10000E+01 volume 0.33800E+00 ppm1 4.150 ppm2 3.881
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3.300 3.300 0.000 peak 10681 weight 0.10000E+01 volume -0.22070E+01 ppm1 1.886 ppm2 4.006
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5.000 5.000 0.000 peak 10682 weight 0.10000E+01 volume 0.30200E+00 ppm1 4.153 ppm2 2.249
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5.000 5.000 0.000 peak 10683 weight 0.10000E+01 volume -0.78100E+00 ppm1 1.583 ppm2 0.861
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6.000 6.000 0.000 peak 10686 weight 0.10000E+01 volume 0.78000E-01 ppm1 5.862 ppm2 2.239
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6.000 6.000 0.000 peak 10687 weight 0.10000E+01 volume 0.93000E-01 ppm1 5.864 ppm2 0.844
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6.000 6.000 0.000 peak 10688 weight 0.10000E+01 volume 0.10400E+00 ppm1 5.863 ppm2 2.010
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5.000 5.000 0.000 peak 10690 weight 0.10000E+01 volume 0.88000E+00 ppm1 4.629 ppm2 0.926
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5.000 5.000 0.000 peak 10691 weight 0.10000E+01 volume 0.73500E+00 ppm1 4.326 ppm2 1.003
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5.000 5.000 0.000 peak 10694 weight 0.10000E+01 volume 0.42600E+00 ppm1 4.336 ppm2 2.367
ASSI (
(segid " " and resid "158 " and name "HA ")
)(
(segid " " and resid "162 " and name "HA1 ")
OR
(segid " " and resid "161 " and name "HA ")
)
6.000 6.000 0.000 peak 10695 weight 0.10000E+01 volume 0.24800E+00 ppm1 4.340 ppm2 4.014
ASSI (
(segid " " and resid "115 " and name "HA ")
)(
(segid " " and resid "118 " and name "HA ")
OR
(segid " " and resid "114 " and name "HB1 ")
)
6.000 6.000 0.000 peak 10696 weight 0.10000E+01 volume 0.22000E+00 ppm1 4.071 ppm2 3.647
ASSI (
(segid " " and resid "117 " and name "HG12")
)(
(segid " " and resid "156 " and name "HD13")
OR
(segid " " and resid "156 " and name "HD12")
OR
(segid " " and resid "125 " and name "HG13")
OR
(segid " " and resid "125 " and name "HG12")
OR
(segid " " and resid "125 " and name "HG11")
)
5.000 5.000 0.000 peak 10697 weight 0.10000E+01 volume -0.51200E+00 ppm1 0.774 ppm2 1.000
ASSI (
(segid " " and resid "56 " and name "HB1 ")
)(
(segid " " and resid "90 " and name "HB1 ")
)
6.000 6.000 0.000 peak 10698 weight 0.10000E+01 volume -0.28100E+00 ppm1 2.051 ppm2 2.735
ASSI (
(segid " " and resid "20 " and name "HB1 ")
)(
(segid " " and resid "52 " and name "HG2 ")
OR
(segid " " and resid "52 " and name "HG1 ")
)
6.000 6.000 0.000 peak 10699 weight 0.10000E+01 volume -0.28900E+00 ppm1 1.970 ppm2 2.593
ASSI (
(segid " " and resid "115 " and name "HA ")
)(
(segid " " and resid "118 " and name "HD2 ")
OR
(segid " " and resid "118 " and name "HD1 ")
)
5.000 5.000 0.000 peak 10700 weight 0.10000E+01 volume 0.44100E+00 ppm1 4.067 ppm2 3.242
ASSI (
(segid " " and resid "89 " and name "HA ")
)(
(segid " " and resid "92 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10701 weight 0.10000E+01 volume 0.81100E+00 ppm1 3.721 ppm2 2.077
ASSI (
(segid " " and resid "129 " and name "HA ")
OR
(segid " " and resid "89 " and name "HA ")
)(
(segid " " and resid "144 " and name "HG1 ")
OR
(segid " " and resid "93 " and name "HB2 ")
OR
(segid " " and resid "92 " and name "HG ")
)
5.000 5.000 0.000 peak 10702 weight 0.10000E+01 volume 0.49400E+00 ppm1 3.722 ppm2 1.638
ASSI (
(segid " " and resid "56 " and name "HB1 ")
)(
(segid " " and resid "93 " and name "HE2 ")
OR
(segid " " and resid "90 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10703 weight 0.10000E+01 volume -0.33300E+00 ppm1 2.047 ppm2 2.590
ASSI (
(segid " " and resid "115 " and name "HA ")
)(
(segid " " and resid "110 " and name "HB2 ")
OR
(segid " " and resid "85 " and name "HA ")
)
5.000 5.000 0.000 peak 10704 weight 0.10000E+01 volume 0.43400E+00 ppm1 4.074 ppm2 3.744
ASSI (
(segid " " and resid "115 " and name "HA ")
)(
(segid " " and resid "118 " and name "HG2 ")
)
5.000 5.000 0.000 peak 10705 weight 0.10000E+01 volume 0.57500E+00 ppm1 4.059 ppm2 1.618
ASSI (
(segid " " and resid "56 " and name "HB2 ")
)(
(segid " " and resid "90 " and name "HB1 ")
)
6.000 6.000 0.000 peak 10706 weight 0.10000E+01 volume -0.24300E+00 ppm1 1.967 ppm2 2.750
ASSI (
(segid " " and resid "158 " and name "HA ")
)(
(segid " " and resid "159 " and name "HA ")
OR
(segid " " and resid "157 " and name "HA ")
)
6.000 6.000 0.000 peak 10707 weight 0.10000E+01 volume 0.26100E+00 ppm1 4.337 ppm2 3.739
ASSI (
(segid " " and resid "85 " and name "HB2 ")
OR
(segid " " and resid "85 " and name "HB1 ")
)(
(segid " " and resid "119 " and name "HG1 ")
)
5.000 5.000 0.000 peak 10708 weight 0.10000E+01 volume -0.48400E+00 ppm1 2.051 ppm2 2.992
ASSI (
(segid " " and resid "129 " and name "HA ")
)(
(segid " " and resid "113 " and name "HG11")
)
5.000 5.000 0.000 peak 10709 weight 0.10000E+01 volume 0.51000E+00 ppm1 3.710 ppm2 1.457
ASSI (
(segid " " and resid "82 " and name "HA ")
)(
(segid " " and resid "85 " and name "HD2 ")
OR
(segid " " and resid "81 " and name "HB2 ")
)
6.000 6.000 0.000 peak 10710 weight 0.10000E+01 volume 0.23300E+00 ppm1 4.447 ppm2 3.237
ASSI (
(segid " " and resid "82 " and name "HA ")
OR
(segid " " and resid "2 " and name "HA ")
)(
(segid " " and resid "85 " and name "HA ")
OR
(segid " " and resid "83 " and name "HA ")
OR
(segid " " and resid "81 " and name "HB1 ")
OR
(segid " " and resid "1 " and name "HA2 ")
OR
(segid " " and resid "1 " and name "HA1 ")
)
5.000 5.000 0.000 peak 10711 weight 0.10000E+01 volume 0.36400E+00 ppm1 4.432 ppm2 3.781
ASSI (
(segid " " and resid "80 " and name "HB ")
)(
(segid " " and resid "100 " and name "HB2 ")
OR
(segid " " and resid "100 " and name "HB1 ")
OR
(segid " " and resid "96 " and name "HG23")
OR
(segid " " and resid "96 " and name "HG22")
OR
(segid " " and resid "96 " and name "HG21")
)
5.000 5.000 0.000 peak 10712 weight 0.10000E+01 volume -0.16630E+01 ppm1 1.913 ppm2 1.139
ASSI (
(segid " " and resid "80 " and name "HB ")
)(
(segid " " and resid "102 " and name "HA ")
OR
(segid " " and resid "81 " and name "HA ")
)
5.000 5.000 0.000 peak 10713 weight 0.10000E+01 volume -0.84600E+00 ppm1 1.922 ppm2 3.897
ASSI (
(segid " " and resid "82 " and name "HA ")
)(
(segid " " and resid "85 " and name "HB2 ")
OR
(segid " " and resid "85 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10714 weight 0.10000E+01 volume 0.15880E+01 ppm1 4.441 ppm2 2.048
ASSI (
(segid " " and resid "82 " and name "HA ")
)(
(segid " " and resid "115 " and name "HD12")
OR
(segid " " and resid "77 " and name "HG23")
OR
(segid " " and resid "77 " and name "HG22")
OR
(segid " " and resid "77 " and name "HG21")
)
5.000 5.000 0.000 peak 10715 weight 0.10000E+01 volume 0.50400E+00 ppm1 4.454 ppm2 1.231
ASSI (
(segid " " and resid "82 " and name "HA ")
)(
(segid " " and resid "86 " and name "HG23")
OR
(segid " " and resid "86 " and name "HG22")
OR
(segid " " and resid "86 " and name "HG21")
)
5.000 5.000 0.000 peak 10716 weight 0.10000E+01 volume 0.45100E+00 ppm1 4.450 ppm2 1.328
ASSI (
(segid " " and resid "2 " and name "HA ")
)(
(segid " " and resid "5 " and name "HD12")
OR
(segid " " and resid "5 " and name "HD11")
OR
(segid " " and resid "4 " and name "HD13")
OR
(segid " " and resid "4 " and name "HD11")
)
6.000 6.000 0.000 peak 10717 weight 0.10000E+01 volume 0.25700E+00 ppm1 4.453 ppm2 0.952
ASSI (
(segid " " and resid "82 " and name "HA ")
)(
(segid " " and resid "85 " and name "HG1 ")
)
5.000 5.000 0.000 peak 10718 weight 0.10000E+01 volume 0.31300E+00 ppm1 4.448 ppm2 1.759
ASSI (
(segid " " and resid "129 " and name "HA ")
)(
(segid " " and resid "132 " and name "HB2 ")
OR
(segid " " and resid "132 " and name "HB1 ")
OR
(segid " " and resid "130 " and name "HD1 ")
)
5.000 5.000 0.000 peak 10719 weight 0.10000E+01 volume 0.36200E+00 ppm1 3.758 ppm2 3.517
ASSI (
(segid " " and resid "82 " and name "HA ")
OR
(segid " " and resid "2 " and name "HA ")
)(
(segid " " and resid "85 " and name "HG2 ")
OR
(segid " " and resid "5 " and name "HB2 ")
OR
(segid " " and resid "4 " and name "HG ")
OR
(segid " " and resid "4 " and name "HB1 ")
)
6.000 6.000 0.000 peak 10720 weight 0.10000E+01 volume 0.20100E+00 ppm1 4.447 ppm2 1.604
ASSI (
(segid " " and resid "129 " and name "HA ")
OR
(segid " " and resid "89 " and name "HA ")
OR
(segid " " and resid "81 " and name "HB1 ")
OR
(segid " " and resid "62 " and name "HA ")
)(
(segid " " and resid "130 " and name "HD1 ")
OR
(segid " " and resid "127 " and name "HB1 ")
OR
(segid " " and resid "88 " and name "HB1 ")
OR
(segid " " and resid "85 " and name "HD1 ")
OR
(segid " " and resid "58 " and name "HA ")
)
6.000 6.000 0.000 peak 10721 weight 0.10000E+01 volume 0.23700E+00 ppm1 3.755 ppm2 3.443
ASSI (
(segid " " and resid "88 " and name "HA ")
OR
(segid " " and resid "31 " and name "HA ")
OR
(segid " " and resid "12 " and name "HA ")
)(
(segid " " and resid "89 " and name "HD12")
OR
(segid " " and resid "89 " and name "HD11")
OR
(segid " " and resid "50 " and name "HG11")
OR
(segid " " and resid "34 " and name "HD23")
OR
(segid " " and resid "34 " and name "HD22")
OR
(segid " " and resid "34 " and name "HD21")
)
5.000 5.000 0.000 peak 10722 weight 0.10000E+01 volume 0.98900E+00 ppm1 4.634 ppm2 0.841
ASSI (
(segid " " and resid "144 " and name "HB2 ")
)(
(segid " " and resid "144 " and name "HG2 ")
)
6.000 6.000 0.000 peak 10723 weight 0.10000E+01 volume -0.26200E+00 ppm1 1.778 ppm2 0.533
ASSI (
(segid " " and resid "147 " and name "HA ")
)(
(segid " " and resid "150 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10724 weight 0.10000E+01 volume 0.99500E+00 ppm1 4.211 ppm2 2.400
ASSI (
(segid " " and resid "124 " and name "HB ")
)(
(segid " " and resid "116 " and name "HB3 ")
OR
(segid " " and resid "116 " and name "HB2 ")
OR
(segid " " and resid "116 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10725 weight 0.10000E+01 volume -0.19120E+01 ppm1 2.396 ppm2 1.495
ASSI (
(segid " " and resid "160 " and name "HA ")
)(
(segid " " and resid "163 " and name "HD2 ")
)
6.000 6.000 0.000 peak 10726 weight 0.10000E+01 volume 0.26500E+00 ppm1 3.889 ppm2 7.012
ASSI (
(segid " " and resid "36 " and name "HB2 ")
)(
(segid " " and resid "36 " and name "HD2 ")
)
6.000 6.000 0.000 peak 10727 weight 0.10000E+01 volume -0.11600E+00 ppm1 2.876 ppm2 7.177
ASSI (
(segid " " and resid "12 " and name "HA ")
)(
(segid " " and resid "43 " and name "HB2 ")
OR
(segid " " and resid "41 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10728 weight 0.10000E+01 volume 0.65600E+00 ppm1 4.635 ppm2 2.837
ASSI (
(segid " " and resid "147 " and name "HA ")
)(
(segid " " and resid "142 " and name "HD13")
OR
(segid " " and resid "142 " and name "HD12")
OR
(segid " " and resid "142 " and name "HD11")
)
3.300 3.300 0.000 peak 10729 weight 0.10000E+01 volume 0.29120E+01 ppm1 4.209 ppm2 0.888
ASSI (
(segid " " and resid "147 " and name "HA ")
)(
(segid " " and resid "142 " and name "HD23")
OR
(segid " " and resid "142 " and name "HD22")
OR
(segid " " and resid "142 " and name "HD21")
)
5.000 5.000 0.000 peak 10730 weight 0.10000E+01 volume 0.15420E+01 ppm1 4.210 ppm2 0.755
ASSI (
(segid " " and resid "60 " and name "HA ")
)(
(segid " " and resid "95 " and name "HB2 ")
OR
(segid " " and resid "91 " and name "HG23")
OR
(segid " " and resid "91 " and name "HG22")
OR
(segid " " and resid "91 " and name "HG21")
OR
(segid " " and resid "67 " and name "HB3 ")
OR
(segid " " and resid "67 " and name "HB2 ")
OR
(segid " " and resid "67 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10731 weight 0.10000E+01 volume 0.40500E+00 ppm1 3.630 ppm2 1.114
ASSI (
(segid " " and resid "75 " and name "HA ")
OR
(segid " " and resid "31 " and name "HA ")
OR
(segid " " and resid "12 " and name "HA ")
)(
(segid " " and resid "74 " and name "HB3 ")
OR
(segid " " and resid "74 " and name "HB2 ")
OR
(segid " " and resid "74 " and name "HB1 ")
OR
(segid " " and resid "30 " and name "HB1 ")
OR
(segid " " and resid "19 " and name "HB1 ")
OR
(segid " " and resid "17 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10732 weight 0.10000E+01 volume 0.51100E+00 ppm1 4.658 ppm2 1.550
ASSI (
(segid " " and resid "163 " and name "HB1 ")
OR
(segid " " and resid "81 " and name "HB2 ")
)(
(segid " " and resid "159 " and name "HG23")
OR
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "134 " and name "HD13")
OR
(segid " " and resid "134 " and name "HD12")
OR
(segid " " and resid "80 " and name "HG13")
OR
(segid " " and resid "80 " and name "HG12")
OR
(segid " " and resid "80 " and name "HG11")
)
6.000 6.000 0.000 peak 10733 weight 0.10000E+01 volume -0.28300E+00 ppm1 3.268 ppm2 0.937
ASSI (
(segid " " and resid "124 " and name "HB ")
)(
(segid " " and resid "121 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10734 weight 0.10000E+01 volume -0.50600E+00 ppm1 2.394 ppm2 3.141
ASSI (
(segid " " and resid "137 " and name "HB1 ")
)(
(segid " " and resid "144 " and name "HD2 ")
OR
(segid " " and resid "141 " and name "HA2 ")
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6.000 6.000 0.000 peak 10735 weight 0.10000E+01 volume -0.25700E+00 ppm1 1.540 ppm2 3.701
ASSI (
(segid " " and resid "124 " and name "HB ")
)(
(segid " " and resid "121 " and name "HA ")
)
6.000 6.000 0.000 peak 10736 weight 0.10000E+01 volume -0.78000E-01 ppm1 2.394 ppm2 5.222
ASSI (
(segid " " and resid "36 " and name "HB1 ")
)(
(segid " " and resid "36 " and name "HD2 ")
)
6.000 6.000 0.000 peak 10737 weight 0.10000E+01 volume -0.16900E+00 ppm1 3.194 ppm2 7.171
ASSI (
(segid " " and resid "160 " and name "HA ")
)(
(segid " " and resid "163 " and name "HB2 ")
)
6.000 6.000 0.000 peak 10738 weight 0.10000E+01 volume 0.21000E+00 ppm1 3.888 ppm2 2.716
ASSI (
(segid " " and resid "163 " and name "HB2 ")
)(
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "134 " and name "HD13")
OR
(segid " " and resid "134 " and name "HD12")
OR
(segid " " and resid "134 " and name "HD11")
)
5.000 5.000 0.000 peak 10739 weight 0.10000E+01 volume -0.32600E+00 ppm1 2.719 ppm2 0.935
ASSI (
(segid " " and resid "62 " and name "HA ")
)(
(segid " " and resid "65 " and name "HG2 ")
OR
(segid " " and resid "61 " and name "HG1 ")
)
6.000 6.000 0.000 peak 10740 weight 0.10000E+01 volume 0.24100E+00 ppm1 3.774 ppm2 2.458
ASSI (
(segid " " and resid "62 " and name "HA ")
)(
(segid " " and resid "65 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10741 weight 0.10000E+01 volume 0.37200E+00 ppm1 3.775 ppm2 2.177
ASSI (
(segid " " and resid "160 " and name "HA ")
)(
(segid " " and resid "164 " and name "HA ")
)
6.000 6.000 0.000 peak 10742 weight 0.10000E+01 volume 0.21100E+00 ppm1 3.909 ppm2 4.455
ASSI (
(segid " " and resid "60 " and name "HA ")
)(
(segid " " and resid "63 " and name "HD13")
OR
(segid " " and resid "63 " and name "HD12")
OR
(segid " " and resid "63 " and name "HD11")
)
5.000 5.000 0.000 peak 10743 weight 0.10000E+01 volume 0.14130E+01 ppm1 3.632 ppm2 0.648
ASSI (
(segid " " and resid "60 " and name "HA ")
)(
(segid " " and resid "63 " and name "HD23")
OR
(segid " " and resid "63 " and name "HD21")
OR
(segid " " and resid "63 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10744 weight 0.10000E+01 volume 0.78900E+00 ppm1 3.628 ppm2 0.848
ASSI (
(segid " " and resid "147 " and name "HA ")
)(
(segid " " and resid "150 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10745 weight 0.10000E+01 volume 0.17670E+01 ppm1 4.207 ppm2 2.209
ASSI (
(segid " " and resid "60 " and name "HA ")
)(
(segid " " and resid "59 " and name "HB3 ")
OR
(segid " " and resid "59 " and name "HB2 ")
OR
(segid " " and resid "59 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10746 weight 0.10000E+01 volume 0.30000E+00 ppm1 3.628 ppm2 1.301
ASSI (
(segid " " and resid "60 " and name "HA ")
)(
(segid " " and resid "95 " and name "HA ")
OR
(segid " " and resid "63 " and name "HA ")
OR
(segid " " and resid "61 " and name "HA ")
)
6.000 6.000 0.000 peak 10747 weight 0.10000E+01 volume 0.13400E+00 ppm1 3.629 ppm2 3.892
ASSI (
(segid " " and resid "60 " and name "HA ")
)(
(segid " " and resid "94 " and name "HG11")
OR
(segid " " and resid "63 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10748 weight 0.10000E+01 volume 0.49200E+00 ppm1 3.629 ppm2 1.198
ASSI (
(segid " " and resid "90 " and name "HA ")
)(
(segid " " and resid "93 " and name "HG2 ")
OR
(segid " " and resid "89 " and name "HD23")
OR
(segid " " and resid "89 " and name "HD22")
OR
(segid " " and resid "89 " and name "HD21")
)
5.000 5.000 0.000 peak 10749 weight 0.10000E+01 volume 0.34200E+00 ppm1 4.251 ppm2 0.608
ASSI (
(segid " " and resid "124 " and name "HB ")
)(
(segid " " and resid "121 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10751 weight 0.10000E+01 volume -0.34700E+00 ppm1 2.394 ppm2 3.032
ASSI (
(segid " " and resid "49 " and name "HA ")
OR
(segid " " and resid "42 " and name "HA ")
)(
(segid " " and resid "79 " and name "HB2 ")
OR
(segid " " and resid "42 " and name "HB1 ")
)
3.300 3.300 0.000 peak 10752 weight 0.10000E+01 volume 0.29420E+01 ppm1 4.157 ppm2 1.944
ASSI (
(segid " " and resid "137 " and name "HB2 ")
)(
(segid " " and resid "142 " and name "HD13")
OR
(segid " " and resid "142 " and name "HD12")
OR
(segid " " and resid "142 " and name "HD11")
OR
(segid " " and resid "117 " and name "HD13")
OR
(segid " " and resid "105 " and name "HD13")
OR
(segid " " and resid "105 " and name "HD12")
OR
(segid " " and resid "105 " and name "HD11")
)
6.000 6.000 0.000 peak 10753 weight 0.10000E+01 volume -0.14300E+00 ppm1 1.270 ppm2 0.865
ASSI (
(segid " " and resid "42 " and name "HA ")
)(
(segid " " and resid "42 " and name "HG2 ")
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6.000 6.000 0.000 peak 10754 weight 0.10000E+01 volume 0.29900E+00 ppm1 4.156 ppm2 0.275
ASSI (
(segid " " and resid "42 " and name "HA ")
)(
(segid " " and resid "42 " and name "HG1 ")
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5.000 5.000 0.000 peak 10755 weight 0.10000E+01 volume 0.10780E+01 ppm1 4.156 ppm2 1.275
ASSI (
(segid " " and resid "145 " and name "HA ")
OR
(segid " " and resid "29 " and name "HA ")
)(
(segid " " and resid "147 " and name "HA ")
OR
(segid " " and resid "30 " and name "HA ")
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5.000 5.000 0.000 peak 10756 weight 0.10000E+01 volume 0.39900E+00 ppm1 3.917 ppm2 4.220
ASSI (
(segid " " and resid "131 " and name "HB2 ")
)(
(segid " " and resid "128 " and name "HD23")
OR
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG21")
OR
(segid " " and resid "102 " and name "HG13")
OR
(segid " " and resid "102 " and name "HG12")
OR
(segid " " and resid "102 " and name "HG11")
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5.000 5.000 0.000 peak 10757 weight 0.10000E+01 volume -0.12790E+01 ppm1 1.486 ppm2 0.872
ASSI (
(segid " " and resid "94 " and name "HB ")
)(
(segid " " and resid "59 " and name "HB3 ")
OR
(segid " " and resid "59 " and name "HB2 ")
OR
(segid " " and resid "59 " and name "HB1 ")
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5.000 5.000 0.000 peak 10758 weight 0.10000E+01 volume -0.10220E+01 ppm1 2.260 ppm2 1.326
ASSI (
(segid " " and resid "160 " and name "HA ")
)(
(segid " " and resid "164 " and name "HA ")
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6.000 6.000 0.000 peak 10759 weight 0.10000E+01 volume 0.20900E+00 ppm1 3.872 ppm2 4.469
ASSI (
(segid " " and resid "69 " and name "HB2 ")
)(
(segid " " and resid "95 " and name "HB1 ")
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5.000 5.000 0.000 peak 10760 weight 0.10000E+01 volume -0.56500E+00 ppm1 1.673 ppm2 2.287
ASSI (
(segid " " and resid "166 " and name "HA ")
)(
(segid " " and resid "168 " and name "HB2 ")
OR
(segid " " and resid "167 " and name "HG2 ")
OR
(segid " " and resid "167 " and name "HB2 ")
OR
(segid " " and resid "164 " and name "HE1 ")
OR
(segid " " and resid "134 " and name "HG ")
)
5.000 5.000 0.000 peak 10761 weight 0.10000E+01 volume 0.41800E+00 ppm1 4.510 ppm2 2.000
ASSI (
(segid " " and resid "136 " and name "HA ")
)(
(segid " " and resid "133 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10762 weight 0.10000E+01 volume 0.37200E+00 ppm1 4.266 ppm2 2.928
ASSI (
(segid " " and resid "136 " and name "HA ")
)(
(segid " " and resid "143 " and name "HG23")
OR
(segid " " and resid "143 " and name "HG22")
OR
(segid " " and resid "143 " and name "HG21")
OR
(segid " " and resid "111 " and name "HD13")
OR
(segid " " and resid "111 " and name "HD12")
OR
(segid " " and resid "111 " and name "HD11")
)
5.000 5.000 0.000 peak 10763 weight 0.10000E+01 volume 0.54300E+00 ppm1 4.268 ppm2 1.209
ASSI (
(segid " " and resid "166 " and name "HA ")
)(
(segid " " and resid "167 " and name "HD2 ")
)
3.300 3.300 0.000 peak 10764 weight 0.10000E+01 volume 0.21110E+01 ppm1 4.524 ppm2 3.731
ASSI (
(segid " " and resid "166 " and name "HA ")
)(
(segid " " and resid "168 " and name "HE2 ")
OR
(segid " " and resid "167 " and name "HG1 ")
OR
(segid " " and resid "165 " and name "HE3 ")
OR
(segid " " and resid "165 " and name "HE1 ")
OR
(segid " " and resid "165 " and name "HB2 ")
OR
(segid " " and resid "165 " and name "HB1 ")
)
6.000 6.000 0.000 peak 10765 weight 0.10000E+01 volume 0.22500E+00 ppm1 4.532 ppm2 2.119
ASSI (
(segid " " and resid "69 " and name "HB2 ")
OR
(segid " " and resid "37 " and name "HB2 ")
)(
(segid " " and resid "69 " and name "HD2 ")
OR
(segid " " and resid "69 " and name "HD1 ")
OR
(segid " " and resid "37 " and name "HA ")
)
5.000 5.000 0.000 peak 10766 weight 0.10000E+01 volume -0.98000E+00 ppm1 1.694 ppm2 4.102
ASSI (
(segid " " and resid "97 " and name "HA ")
OR
(segid " " and resid "14 " and name "HA ")
)(
(segid " " and resid "131 " and name "HA ")
OR
(segid " " and resid "41 " and name "HA ")
)
6.000 6.000 0.000 peak 10767 weight 0.10000E+01 volume 0.21200E+00 ppm1 4.109 ppm2 4.512
ASSI (
(segid " " and resid "140 " and name "HA ")
)(
(segid " " and resid "139 " and name "HB3 ")
OR
(segid " " and resid "139 " and name "HB2 ")
OR
(segid " " and resid "139 " and name "HB1 ")
)
6.000 6.000 0.000 peak 10768 weight 0.10000E+01 volume 0.29700E+00 ppm1 4.504 ppm2 1.400
ASSI (
(segid " " and resid "165 " and name "HB2 ")
OR
(segid " " and resid "52 " and name "HB1 ")
OR
(segid " " and resid "49 " and name "HB2 ")
)(
(segid " " and resid "166 " and name "HG11")
OR
(segid " " and resid "48 " and name "HB1 ")
OR
(segid " " and resid "45 " and name "HD1 ")
OR
(segid " " and resid "45 " and name "HB2 ")
OR
(segid " " and resid "19 " and name "HB3 ")
OR
(segid " " and resid "19 " and name "HB2 ")
OR
(segid " " and resid "19 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10769 weight 0.10000E+01 volume -0.87700E+00 ppm1 2.120 ppm2 1.553
ASSI (
(segid " " and resid "166 " and name "HA ")
)(
(segid " " and resid "168 " and name "HG2 ")
OR
(segid " " and resid "168 " and name "HG1 ")
)
6.000 6.000 0.000 peak 10770 weight 0.10000E+01 volume 0.19800E+00 ppm1 4.522 ppm2 2.580
ASSI (
(segid " " and resid "52 " and name "HB1 ")
OR
(segid " " and resid "49 " and name "HB2 ")
)(
(segid " " and resid "73 " and name "HB1 ")
OR
(segid " " and resid "21 " and name "HA2 ")
)
6.000 6.000 0.000 peak 10771 weight 0.10000E+01 volume -0.28700E+00 ppm1 2.127 ppm2 3.568
ASSI (
(segid " " and resid "165 " and name "HB2 ")
OR
(segid " " and resid "165 " and name "HB1 ")
)(
(segid " " and resid "167 " and name "HD2 ")
)
5.000 5.000 0.000 peak 10772 weight 0.10000E+01 volume -0.48400E+00 ppm1 2.127 ppm2 3.701
ASSI (
(segid " " and resid "79 " and name "HB2 ")
)(
(segid " " and resid "53 " and name "HZ ")
)
6.000 6.000 0.000 peak 10773 weight 0.10000E+01 volume -0.11200E+00 ppm1 1.993 ppm2 7.437
ASSI (
(segid " " and resid "79 " and name "HB1 ")
)(
(segid " " and resid "95 " and name "HD12")
OR
(segid " " and resid "48 " and name "HD21")
OR
(segid " " and resid "48 " and name "HD13")
OR
(segid " " and resid "48 " and name "HD12")
OR
(segid " " and resid "48 " and name "HD11")
)
5.000 5.000 0.000 peak 10774 weight 0.10000E+01 volume -0.16650E+01 ppm1 2.451 ppm2 0.813
ASSI (
(segid " " and resid "69 " and name "HB2 ")
)(
(segid " " and resid "100 " and name "HA ")
)
5.000 5.000 0.000 peak 10775 weight 0.10000E+01 volume -0.97900E+00 ppm1 1.700 ppm2 4.242
ASSI (
(segid " " and resid "79 " and name "HB1 ")
)(
(segid " " and resid "100 " and name "HA ")
OR
(segid " " and resid "78 " and name "HB2 ")
OR
(segid " " and resid "52 " and name "HA ")
)
5.000 5.000 0.000 peak 10776 weight 0.10000E+01 volume -0.40400E+00 ppm1 2.447 ppm2 4.252
ASSI (
(segid " " and resid "136 " and name "HB2 ")
)(
(segid " " and resid "111 " and name "HD13")
OR
(segid " " and resid "111 " and name "HD12")
OR
(segid " " and resid "111 " and name "HD11")
)
5.000 5.000 0.000 peak 10777 weight 0.10000E+01 volume -0.33500E+00 ppm1 3.060 ppm2 1.194
ASSI (
(segid " " and resid "150 " and name "HA ")
OR
(segid " " and resid "146 " and name "HA ")
)(
(segid " " and resid "151 " and name "HD1 ")
OR
(segid " " and resid "149 " and name "HD2 ")
OR
(segid " " and resid "149 " and name "HD1 ")
)
5.000 5.000 0.000 peak 10778 weight 0.10000E+01 volume 0.36400E+00 ppm1 3.998 ppm2 3.247
ASSI (
(segid " " and resid "93 " and name "HB2 ")
OR
(segid " " and resid "69 " and name "HB2 ")
)(
(segid " " and resid "97 " and name "HG2 ")
OR
(segid " " and resid "69 " and name "HG1 ")
)
5.000 5.000 0.000 peak 10779 weight 0.10000E+01 volume -0.13650E+01 ppm1 1.700 ppm2 2.127
ASSI (
(segid " " and resid "35 " and name "HB ")
)(
(segid " " and resid "30 " and name "HA ")
)
5.000 5.000 0.000 peak 10780 weight 0.10000E+01 volume -0.58700E+00 ppm1 1.579 ppm2 4.228
ASSI (
(segid " " and resid "132 " and name "HA ")
)(
(segid " " and resid "134 " and name "HD22")
OR
(segid " " and resid "134 " and name "HD21")
OR
(segid " " and resid "128 " and name "HD13")
OR
(segid " " and resid "128 " and name "HD12")
OR
(segid " " and resid "128 " and name "HD11")
)
5.000 5.000 0.000 peak 10781 weight 0.10000E+01 volume 0.34500E+00 ppm1 5.095 ppm2 0.718
ASSI (
(segid " " and resid "132 " and name "HA ")
)(
(segid " " and resid "102 " and name "HG23")
OR
(segid " " and resid "102 " and name "HG22")
OR
(segid " " and resid "102 " and name "HG21")
)
5.000 5.000 0.000 peak 10782 weight 0.10000E+01 volume 0.10700E+01 ppm1 5.099 ppm2 0.870
ASSI (
(segid " " and resid "132 " and name "HA ")
)(
(segid " " and resid "111 " and name "HD13")
OR
(segid " " and resid "111 " and name "HD12")
OR
(segid " " and resid "111 " and name "HD11")
)
6.000 6.000 0.000 peak 10783 weight 0.10000E+01 volume 0.13300E+00 ppm1 5.091 ppm2 1.190
ASSI (
(segid " " and resid "97 " and name "HA ")
)(
(segid " " and resid "131 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10784 weight 0.10000E+01 volume 0.41400E+00 ppm1 4.107 ppm2 1.511
ASSI (
(segid " " and resid "35 " and name "HB ")
)(
(segid " " and resid "30 " and name "HD23")
OR
(segid " " and resid "30 " and name "HD21")
OR
(segid " " and resid "29 " and name "HD22")
OR
(segid " " and resid "29 " and name "HD21")
)
5.000 5.000 0.000 peak 10785 weight 0.10000E+01 volume -0.87800E+00 ppm1 1.576 ppm2 0.770
ASSI (
(segid " " and resid "97 " and name "HA ")
)(
(segid " " and resid "96 " and name "HG23")
OR
(segid " " and resid "96 " and name "HG13")
OR
(segid " " and resid "96 " and name "HG12")
OR
(segid " " and resid "96 " and name "HG11")
OR
(segid " " and resid "93 " and name "HG1 ")
)
5.000 5.000 0.000 peak 10786 weight 0.10000E+01 volume 0.95600E+00 ppm1 4.101 ppm2 1.123
ASSI (
(segid " " and resid "161 " and name "HA ")
OR
(segid " " and resid "150 " and name "HA ")
OR
(segid " " and resid "146 " and name "HA ")
)(
(segid " " and resid "158 " and name "HA ")
OR
(segid " " and resid "149 " and name "HA ")
OR
(segid " " and resid "144 " and name "HD1 ")
)
5.000 5.000 0.000 peak 10787 weight 0.10000E+01 volume 0.59700E+00 ppm1 4.012 ppm2 4.343
ASSI (
(segid " " and resid "97 " and name "HA ")
)(
(segid " " and resid "131 " and name "HA ")
OR
(segid " " and resid "98 " and name "HA ")
)
6.000 6.000 0.000 peak 10788 weight 0.10000E+01 volume 0.19200E+00 ppm1 4.104 ppm2 4.552
ASSI (
(segid " " and resid "95 " and name "HA ")
)(
(segid " " and resid "63 " and name "HD13")
OR
(segid " " and resid "63 " and name "HD12")
OR
(segid " " and resid "63 " and name "HD11")
)
5.000 5.000 0.000 peak 10789 weight 0.10000E+01 volume 0.19430E+01 ppm1 3.921 ppm2 0.648
ASSI (
(segid " " and resid "161 " and name "HA ")
)(
(segid " " and resid "164 " and name "HG1 ")
)
5.000 5.000 0.000 peak 10790 weight 0.10000E+01 volume 0.44400E+00 ppm1 4.017 ppm2 2.698
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "125 " and name "HG23")
OR
(segid " " and resid "125 " and name "HG22")
OR
(segid " " and resid "125 " and name "HG21")
OR
(segid " " and resid "80 " and name "HG23")
OR
(segid " " and resid "80 " and name "HG22")
OR
(segid " " and resid "80 " and name "HG21")
)
6.000 6.000 0.000 peak 10791 weight 0.10000E+01 volume 0.28900E+00 ppm1 3.745 ppm2 0.832
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "124 " and name "HG23")
OR
(segid " " and resid "124 " and name "HG22")
OR
(segid " " and resid "124 " and name "HG21")
OR
(segid " " and resid "124 " and name "HG13")
OR
(segid " " and resid "124 " and name "HG12")
OR
(segid " " and resid "124 " and name "HG11")
OR
(segid " " and resid "115 " and name "HD23")
OR
(segid " " and resid "115 " and name "HD22")
OR
(segid " " and resid "115 " and name "HD21")
OR
(segid " " and resid "92 " and name "HD13")
OR
(segid " " and resid "92 " and name "HD12")
)
5.000 5.000 0.000 peak 10792 weight 0.10000E+01 volume 0.57400E+00 ppm1 3.762 ppm2 0.961
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "115 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10793 weight 0.10000E+01 volume 0.53800E+00 ppm1 3.750 ppm2 1.354
ASSI (
(segid " " and resid "46 " and name "HA ")
)(
(segid " " and resid "40 " and name "HD23")
OR
(segid " " and resid "40 " and name "HD22")
OR
(segid " " and resid "40 " and name "HD21")
)
5.000 5.000 0.000 peak 10794 weight 0.10000E+01 volume 0.41700E+00 ppm1 4.770 ppm2 0.653
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "115 " and name "HA ")
OR
(segid " " and resid "84 " and name "HA ")
)
5.000 5.000 0.000 peak 10795 weight 0.10000E+01 volume 0.85000E+00 ppm1 3.751 ppm2 4.034
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "121 " and name "HD2 ")
)
6.000 6.000 0.000 peak 10796 weight 0.10000E+01 volume 0.19100E+00 ppm1 3.758 ppm2 7.261
ASSI (
(segid " " and resid "161 " and name "HA ")
)(
(segid " " and resid "164 " and name "HA ")
)
6.000 6.000 0.000 peak 10797 weight 0.10000E+01 volume 0.17500E+00 ppm1 4.019 ppm2 4.485
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "119 " and name "HB2 ")
OR
(segid " " and resid "85 " and name "HG2 ")
)
5.000 5.000 0.000 peak 10798 weight 0.10000E+01 volume 0.86400E+00 ppm1 3.746 ppm2 1.609
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "85 " and name "HD2 ")
)
6.000 6.000 0.000 peak 10799 weight 0.10000E+01 volume 0.15500E+00 ppm1 3.745 ppm2 3.216
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "85 " and name "HG1 ")
)
5.000 5.000 0.000 peak 10800 weight 0.10000E+01 volume 0.73700E+00 ppm1 3.755 ppm2 1.756
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "119 " and name "HG2 ")
)
5.000 5.000 0.000 peak 10801 weight 0.10000E+01 volume 0.33500E+00 ppm1 3.744 ppm2 2.388
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "116 " and name "HB3 ")
OR
(segid " " and resid "116 " and name "HB2 ")
OR
(segid " " and resid "116 " and name "HB1 ")
OR
(segid " " and resid "84 " and name "HB3 ")
OR
(segid " " and resid "84 " and name "HB2 ")
OR
(segid " " and resid "84 " and name "HB1 ")
)
5.000 5.000 0.000 peak 10802 weight 0.10000E+01 volume 0.60600E+00 ppm1 3.744 ppm2 1.480
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "116 " and name "HA ")
)
5.000 5.000 0.000 peak 10803 weight 0.10000E+01 volume 0.60700E+00 ppm1 3.754 ppm2 4.130
ASSI (
(segid " " and resid "46 " and name "HA ")
)(
(segid " " and resid "50 " and name "HG23")
OR
(segid " " and resid "50 " and name "HG22")
OR
(segid " " and resid "50 " and name "HG21")
OR
(segid " " and resid "50 " and name "HG11")
OR
(segid " " and resid "40 " and name "HD13")
OR
(segid " " and resid "40 " and name "HD12")
OR
(segid " " and resid "40 " and name "HD11")
)
5.000 5.000 0.000 peak 10805 weight 0.10000E+01 volume 0.36900E+00 ppm1 4.773 ppm2 0.895
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "115 " and name "HD13")
OR
(segid " " and resid "115 " and name "HD12")
OR
(segid " " and resid "115 " and name "HD11")
)
5.000 5.000 0.000 peak 10806 weight 0.10000E+01 volume 0.35000E+00 ppm1 3.745 ppm2 1.232
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "85 " and name "HD1 ")
)
6.000 6.000 0.000 peak 10807 weight 0.10000E+01 volume 0.19300E+00 ppm1 3.759 ppm2 3.459
ASSI (
(segid " " and resid "24 " and name "HA ")
)(
(segid " " and resid "28 " and name "HD1 ")
OR
(segid " " and resid "26 " and name "HA ")
OR
(segid " " and resid "23 " and name "HA ")
)
6.000 6.000 0.000 peak 10808 weight 0.10000E+01 volume 0.19200E+00 ppm1 4.015 ppm2 3.401
ASSI (
(segid " " and resid "85 " and name "HA ")
)(
(segid " " and resid "119 " and name "HG1 ")
)
6.000 6.000 0.000 peak 10809 weight 0.10000E+01 volume 0.19300E+00 ppm1 3.739 ppm2 2.986
ASSI (
(segid " " and resid "164 " and name "HG2 ")
)(
(segid " " and resid "134 " and name "HB2 ")
)
5.000 5.000 0.000 peak 10810 weight 0.10000E+01 volume -0.44800E+00 ppm1 2.343 ppm2 1.601
ASSI (
(segid " " and resid "24 " and name "HA ")
)(
(segid " " and resid "27 " and name "HD2 ")
OR
(segid " " and resid "27 " and name "HD1 ")
)
5.000 5.000 0.000 peak 10811 weight 0.10000E+01 volume 0.62200E+00 ppm1 4.019 ppm2 3.103
ASSI (
(segid " " and resid "164 " and name "HG1 ")
)(
(segid " " and resid "134 " and name "HD13")
OR
(segid " " and resid "134 " and name "HD12")
OR
(segid " " and resid "134 " and name "HD11")
)
5.000 5.000 0.000 peak 10812 weight 0.10000E+01 volume -0.75100E+00 ppm1 2.707 ppm2 0.930
ASSI (
(segid " " and resid "164 " and name "HG1 ")
)(
(segid " " and resid "163 " and name "HB1 ")
OR
(segid " " and resid "135 " and name "HB1 ")
)
6.000 6.000 0.000 peak 10813 weight 0.10000E+01 volume -0.10200E+00 ppm1 2.709 ppm2 3.267
ASSI (
(segid " " and resid "164 " and name "HG1 ")
)(
(segid " " and resid "161 " and name "HA ")
)
6.000 6.000 0.000 peak 10814 weight 0.10000E+01 volume -0.14100E+00 ppm1 2.695 ppm2 4.021
ASSI (
(segid " " and resid "164 " and name "HG2 ")
)(
(segid " " and resid "134 " and name "HB2 ")
)
6.000 6.000 0.000 peak 10817 weight 0.10000E+01 volume 0.10600E+00 ppm1 2.343 ppm2 1.604
ASSI (
(segid " " and resid "164 " and name "HG1 ")
)(
(segid " " and resid "134 " and name "HD13")
OR
(segid " " and resid "134 " and name "HD12")
OR
(segid " " and resid "134 " and name "HD11")
)
6.000 6.000 0.000 peak 10818 weight 0.10000E+01 volume 0.26800E+00 ppm1 2.711 ppm2 0.930
ASSI (
(segid " " and resid "164 " and name "HG1 ")
)(
(segid " " and resid "134 " and name "HD13")
OR
(segid " " and resid "134 " and name "HD12")
OR
(segid " " and resid "134 " and name "HD11")
)
6.000 6.000 0.000 peak 10819 weight 0.10000E+01 volume 0.26800E+00 ppm1 2.714 ppm2 0.930
ASSI (
(segid " " and resid "164 " and name "HG2 ")
)(
(segid " " and resid "134 " and name "HB2 ")
)
6.000 6.000 0.000 peak 10820 weight 0.10000E+01 volume 0.13800E+00 ppm1 2.343 ppm2 1.606
ASSI (
(segid " " and resid "164 " and name "HG2 ")
)(
(segid " " and resid "134 " and name "HB2 ")
)
6.000 6.000 0.000 peak 10821 weight 0.10000E+01 volume 0.13800E+00 ppm1 2.342 ppm2 1.608
ASSI (
(segid " " and resid "64 " and name "HA ")
OR
(segid " " and resid "13 " and name "HA ")
)(
(segid " " and resid "63 " and name "HD23")
OR
(segid " " and resid "63 " and name "HD22")
OR
(segid " " and resid "63 " and name "HD21")
OR
(segid " " and resid "29 " and name "HD23")
OR
(segid " " and resid "29 " and name "HD21")
)
5.000 5.000 0.000 peak 9648 weight 0.10000E+01 volume -0.46900E+00 ppm1 4.119 ppm2 0.774
ASSI (
(segid " " and resid "149 " and name "HA ")
)(
(segid " " and resid "148 " and name "HB3 ")
OR
(segid " " and resid "148 " and name "HB2 ")
OR
(segid " " and resid "148 " and name "HB1 ")
)
5.000 5.000 0.000 peak 9651 weight 0.10000E+01 volume -0.39000E+00 ppm1 4.342 ppm2 1.433
ASSI (
(segid " " and resid "50 " and name "HA ")
)(
(segid " " and resid "45 " and name "HD1 ")
OR
(segid " " and resid "45 " and name "HB2 ")
OR
(segid " " and resid "19 " and name "HB3 ")
OR
(segid " " and resid "19 " and name "HB2 ")
OR
(segid " " and resid "19 " and name "HB1 ")
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6.000 6.000 0.000 peak 10822 weight 0.10000E+01 volume -0.24300E+00 ppm1 4.657 ppm2 1.535
ASSI (
(segid " " and resid "149 " and name "HA ")
)(
(segid " " and resid "152 " and name "HA1 ")
OR
(segid " " and resid "150 " and name "HA ")
OR
(segid " " and resid "146 " and name "HA ")
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5.000 5.000 0.000 peak 10823 weight 0.10000E+01 volume -0.65200E+00 ppm1 4.335 ppm2 4.002
ASSI (
(segid " " and resid "143 " and name "HA ")
)(
(segid " " and resid "137 " and name "HA ")
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5.000 5.000 0.000 peak 10824 weight 0.10000E+01 volume -0.44200E+00 ppm1 5.382 ppm2 4.235
ASSI (
(segid " " and resid "143 " and name "HA ")
)(
(segid " " and resid "144 " and name "HD1 ")
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5.000 5.000 0.000 peak 10825 weight 0.10000E+01 volume -0.49400E+00 ppm1 5.382 ppm2 4.288
ASSI (
(segid " " and resid "27 " and name "HA ")
)(
(segid " " and resid "31 " and name "HD2 ")
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5.000 5.000 0.000 peak 10826 weight 0.10000E+01 volume -0.55800E+00 ppm1 3.672 ppm2 6.950
ASSI (
(segid " " and resid "127 " and name "HA ")
)(
(segid " " and resid "159 " and name "HG23")
OR
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "159 " and name "HG21")
OR
(segid " " and resid "128 " and name "HD23")
OR
(segid " " and resid "128 " and name "HD22")
OR
(segid " " and resid "128 " and name "HD21")
OR
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OR
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OR
(segid " " and resid "125 " and name "HG11")
OR
(segid " " and resid "124 " and name "HG23")
OR
(segid " " and resid "124 " and name "HG22")
OR
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OR
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OR
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OR
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OR
(segid " " and resid "92 " and name "HD12")
OR
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5.000 5.000 0.000 peak 10827 weight 0.10000E+01 volume -0.97100E+00 ppm1 4.304 ppm2 0.942
ASSI (
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(segid " " and resid "93 " and name "HG2 ")
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OR
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5.000 5.000 0.000 peak 10828 weight 0.10000E+01 volume -0.43700E+00 ppm1 4.303 ppm2 0.605
ASSI (
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5.000 5.000 0.000 peak 10829 weight 0.10000E+01 volume -0.11210E+01 ppm1 3.701 ppm2 0.632
ASSI (
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5.000 5.000 0.000 peak 9711 weight 0.10000E+01 volume -0.90200E+00 ppm1 3.701 ppm2 2.340
ASSI (
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(segid " " and resid "159 " and name "HA ")
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OR
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OR
(segid " " and resid "89 " and name "HA ")
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5.000 5.000 0.000 peak 10830 weight 0.10000E+01 volume -0.30000E+00 ppm1 4.303 ppm2 3.734
ASSI (
(segid " " and resid "108 " and name "HA ")
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ASSI (
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OR
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OR
(segid " " and resid "159 " and name "HG22")
OR
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OR
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OR
(segid " " and resid "124 " and name "HG21")
OR
(segid " " and resid "124 " and name "HG13")
OR
(segid " " and resid "124 " and name "HG12")
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5.000 5.000 0.000 peak 10832 weight 0.10000E+01 volume -0.39000E+00 ppm1 4.336 ppm2 0.922
ASSI (
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OR
(segid " " and resid "53 " and name "HZ ")
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6.000 6.000 0.000 peak 10833 weight 0.10000E+01 volume -0.94000E-01 ppm1 3.899 ppm2 7.438
ASSI (
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ASSI (
(segid " " and resid "53 " and name "HA ")
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(segid " " and resid "88 " and name "HB1 ")
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6.000 6.000 0.000 peak 10835 weight 0.10000E+01 volume -0.17400E+00 ppm1 3.915 ppm2 3.448
ASSI (
(segid " " and resid "123 " and name "HB2 ")
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(segid " " and resid "123 " and name "HB1 ")
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OR
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6.000 6.000 0.000 peak 10836 weight 0.10000E+01 volume -0.18500E+00 ppm1 4.021 ppm2 0.605
ASSI (
(segid " " and resid "53 " and name "HA ")
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OR
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OR
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5.000 5.000 0.000 peak 10837 weight 0.10000E+01 volume -0.11300E+01 ppm1 3.910 ppm2 1.141
ASSI (
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6.000 6.000 0.000 peak 10838 weight 0.10000E+01 volume -0.20300E+00 ppm1 3.907 ppm2 2.311
ASSI (
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OR
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OR
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OR
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OR
(segid " " and resid "29 " and name "HD21")
OR
(segid " " and resid "29 " and name "HD12")
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5.000 5.000 0.000 peak 10840 weight 0.10000E+01 volume -0.17960E+01 ppm1 3.791 ppm2 0.737
ASSI (
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OR
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5.000 5.000 0.000 peak 10841 weight 0.10000E+01 volume -0.30100E+00 ppm1 3.878 ppm2 1.903
ASSI (
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5.000 5.000 0.000 peak 10842 weight 0.10000E+01 volume -0.57100E+00 ppm1 3.878 ppm2 2.245
ASSI (
(segid " " and resid "126 " and name "HA ")
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OR
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OR
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OR
(segid " " and resid "51 " and name "HE2 ")
OR
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OR
(segid " " and resid "27 " and name "HG1 ")
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6.000 6.000 0.000 peak 9756 weight 0.10000E+01 volume -0.21600E+00 ppm1 3.988 ppm2 1.690
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10843 weight 0.10000E+01 volume -0.44900E+00 ppm1 3.682 ppm2 2.083
ASSI (
(segid " " and resid "126 " and name "HA ")
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(segid " " and resid "55 " and name "HB1 ")
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OR
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OR
(segid " " and resid "52 " and name "HB1 ")
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5.000 5.000 0.000 peak 10844 weight 0.10000E+01 volume -0.58600E+00 ppm1 3.992 ppm2 2.083
ASSI (
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5.000 5.000 0.000 peak 9761 weight 0.10000E+01 volume -0.57900E+00 ppm1 3.988 ppm2 2.319
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OR
(segid " " and resid "21 " and name "HA1 ")
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5.000 5.000 0.000 peak 10845 weight 0.10000E+01 volume -0.42200E+00 ppm1 3.685 ppm2 4.275
ASSI (
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OR
(segid " " and resid "10 " and name "HG22")
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OR
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OR
(segid " " and resid "10 " and name "HG11")
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5.000 5.000 0.000 peak 10846 weight 0.10000E+01 volume -0.83000E+00 ppm1 3.796 ppm2 1.121
ASSI (
(segid " " and resid "35 " and name "HA ")
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OR
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OR
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OR
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OR
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5.000 5.000 0.000 peak 10847 weight 0.10000E+01 volume -0.31700E+00 ppm1 3.795 ppm2 1.385
ASSI (
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OR
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OR
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OR
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OR
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OR
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5.000 5.000 0.000 peak 10848 weight 0.10000E+01 volume -0.49800E+00 ppm1 4.406 ppm2 1.135
ASSI (
(segid " " and resid "69 " and name "HA ")
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OR
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OR
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3.300 3.300 0.000 peak 10849 weight 0.10000E+01 volume -0.32590E+01 ppm1 4.408 ppm2 0.819
ASSI (
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)(
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5.000 5.000 0.000 peak 10850 weight 0.10000E+01 volume -0.42000E+00 ppm1 4.102 ppm2 1.513
ASSI (
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OR
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OR
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OR
(segid " " and resid "113 " and name "HG22")
OR
(segid " " and resid "113 " and name "HG21")
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5.000 5.000 0.000 peak 10851 weight 0.10000E+01 volume -0.12360E+01 ppm1 3.968 ppm2 0.766
ASSI (
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5.000 5.000 0.000 peak 10852 weight 0.10000E+01 volume -0.12990E+01 ppm1 4.099 ppm2 0.767
ASSI (
(segid " " and resid "37 " and name "HA ")
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OR
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5.000 5.000 0.000 peak 10853 weight 0.10000E+01 volume -0.73000E+00 ppm1 4.101 ppm2 1.121
ASSI (
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5.000 5.000 0.000 peak 10854 weight 0.10000E+01 volume -0.57100E+00 ppm1 4.314 ppm2 4.011
ASSI (
(segid " " and resid "56 " and name "HA ")
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OR
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5.000 5.000 0.000 peak 10855 weight 0.10000E+01 volume -0.10820E+01 ppm1 4.311 ppm2 1.319
ASSI (
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5.000 5.000 0.000 peak 10856 weight 0.10000E+01 volume -0.53800E+00 ppm1 4.307 ppm2 0.969
ASSI (
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6.000 6.000 0.000 peak 10857 weight 0.10000E+01 volume -0.23200E+00 ppm1 3.514 ppm2 1.193
ASSI (
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6.000 6.000 0.000 peak 9845 weight 0.10000E+01 volume -0.18700E+00 ppm1 4.315 ppm2 1.433
ASSI (
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6.000 6.000 0.000 peak 10858 weight 0.10000E+01 volume -0.27500E+00 ppm1 4.311 ppm2 2.273
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5.000 5.000 0.000 peak 10859 weight 0.10000E+01 volume -0.91800E+00 ppm1 4.309 ppm2 3.761
ASSI (
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6.000 6.000 0.000 peak 10860 weight 0.10000E+01 volume -0.18100E+00 ppm1 4.156 ppm2 0.919
ASSI (
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5.000 5.000 0.000 peak 10861 weight 0.10000E+01 volume -0.49000E+00 ppm1 4.288 ppm2 2.247
ASSI (
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OR
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OR
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5.000 5.000 0.000 peak 10862 weight 0.10000E+01 volume -0.41000E+00 ppm1 4.456 ppm2 0.852
ASSI (
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5.000 5.000 0.000 peak 10863 weight 0.10000E+01 volume -0.45200E+00 ppm1 4.288 ppm2 0.872
ASSI (
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6.000 6.000 0.000 peak 10864 weight 0.10000E+01 volume -0.19300E+00 ppm1 4.475 ppm2 1.326
ASSI (
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6.000 6.000 0.000 peak 10865 weight 0.10000E+01 volume -0.23200E+00 ppm1 4.448 ppm2 2.233
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5.000 5.000 0.000 peak 10866 weight 0.10000E+01 volume -0.79900E+00 ppm1 3.902 ppm2 3.173
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6.000 6.000 0.000 peak 10867 weight 0.10000E+01 volume -0.27600E+00 ppm1 3.835 ppm2 3.381
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5.000 5.000 0.000 peak 10868 weight 0.10000E+01 volume -0.38000E+00 ppm1 3.514 ppm2 1.166
ASSI (
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5.000 5.000 0.000 peak 10869 weight 0.10000E+01 volume -0.60200E+00 ppm1 3.888 ppm2 4.102
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5.000 5.000 0.000 peak 10870 weight 0.10000E+01 volume -0.71100E+00 ppm1 3.526 ppm2 3.738
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5.000 5.000 0.000 peak 10871 weight 0.10000E+01 volume -0.18170E+01 ppm1 3.687 ppm2 1.329
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5.000 5.000 0.000 peak 10872 weight 0.10000E+01 volume -0.47100E+00 ppm1 3.752 ppm2 2.952
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5.000 5.000 0.000 peak 10873 weight 0.10000E+01 volume -0.61800E+00 ppm1 3.755 ppm2 3.408
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5.000 5.000 0.000 peak 9905 weight 0.10000E+01 volume -0.35000E+00 ppm1 4.048 ppm2 1.312
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5.000 5.000 0.000 peak 10874 weight 0.10000E+01 volume -0.74200E+00 ppm1 3.761 ppm2 4.306
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6.000 6.000 0.000 peak 10875 weight 0.10000E+01 volume -0.20200E+00 ppm1 3.680 ppm2 4.296
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5.000 5.000 0.000 peak 10876 weight 0.10000E+01 volume -0.48500E+00 ppm1 3.675 ppm2 2.149
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6.000 6.000 0.000 peak 10877 weight 0.10000E+01 volume -0.20400E+00 ppm1 3.683 ppm2 6.956
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5.000 5.000 0.000 peak 10879 weight 0.10000E+01 volume -0.43500E+00 ppm1 4.137 ppm2 1.802
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5.000 5.000 0.000 peak 10880 weight 0.10000E+01 volume -0.74400E+00 ppm1 4.140 ppm2 1.448
ASSI (
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6.000 6.000 0.000 peak 10881 weight 0.10000E+01 volume -0.28700E+00 ppm1 4.141 ppm2 2.234
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5.000 5.000 0.000 peak 10882 weight 0.10000E+01 volume -0.91500E+00 ppm1 4.136 ppm2 3.888
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6.000 6.000 0.000 peak 10883 weight 0.10000E+01 volume -0.13600E+00 ppm1 3.419 ppm2 0.685
ASSI (
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(segid " " and resid "58 " and name "HA ")
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OR
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6.000 6.000 0.000 peak 10885 weight 0.10000E+01 volume -0.11000E+00 ppm1 3.420 ppm2 3.851
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6.000 6.000 0.000 peak 10886 weight 0.10000E+01 volume -0.25900E+00 ppm1 3.417 ppm2 1.447
ASSI (
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5.000 5.000 0.000 peak 10887 weight 0.10000E+01 volume -0.49000E+00 ppm1 3.417 ppm2 1.960
ASSI (
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6.000 6.000 0.000 peak 10888 weight 0.10000E+01 volume -0.24800E+00 ppm1 3.413 ppm2 2.146
ASSI (
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OR
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6.000 6.000 0.000 peak 10889 weight 0.10000E+01 volume -0.10600E+00 ppm1 4.208 ppm2 0.766
ASSI (
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6.000 6.000 0.000 peak 10890 weight 0.10000E+01 volume -0.28800E+00 ppm1 4.208 ppm2 2.532
ASSI (
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6.000 6.000 0.000 peak 10891 weight 0.10000E+01 volume -0.25800E+00 ppm1 4.208 ppm2 3.434
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5.000 5.000 0.000 peak 10892 weight 0.10000E+01 volume -0.41800E+00 ppm1 3.376 ppm2 3.828
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5.000 5.000 0.000 peak 10893 weight 0.10000E+01 volume -0.44200E+00 ppm1 3.372 ppm2 1.728
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OR
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OR
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3.300 3.300 0.000 peak 10894 weight 0.10000E+01 volume -0.32160E+01 ppm1 3.367 ppm2 0.740
ASSI (
(segid " " and resid "125 " and name "HA ")
OR
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OR
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OR
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ASSI (
(segid " " and resid "108 " and name "HB ")
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OR
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5.000 5.000 0.000 peak 10034 weight 0.10000E+01 volume -0.64100E+00 ppm1 4.555 ppm2 1.396
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6.000 6.000 0.000 peak 10896 weight 0.10000E+01 volume -0.18500E+00 ppm1 4.929 ppm2 0.926
ASSI (
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6.000 6.000 0.000 peak 10897 weight 0.10000E+01 volume -0.20700E+00 ppm1 6.957 ppm2 1.886
ASSI (
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6.000 6.000 0.000 peak 10898 weight 0.10000E+01 volume -0.15900E+00 ppm1 6.957 ppm2 1.713
ASSI (
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5.000 5.000 0.000 peak 10899 weight 0.10000E+01 volume -0.31700E+00 ppm1 6.958 ppm2 1.485
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OR
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5.000 5.000 0.000 peak 10900 weight 0.10000E+01 volume -0.79100E+00 ppm1 1.326 ppm2 7.197
ASSI (
(segid " " and resid "83 " and name "HB3 ")
OR
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OR
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5.000 5.000 0.000 peak 10901 weight 0.10000E+01 volume -0.47200E+00 ppm1 1.325 ppm2 7.313
ASSI (
(segid " " and resid "83 " and name "HB3 ")
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OR
(segid " " and resid "83 " and name "HB1 ")
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6.000 6.000 0.000 peak 10902 weight 0.10000E+01 volume -0.17500E+00 ppm1 1.326 ppm2 7.437
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(segid " " and resid "94 " and name "HG12")
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OR
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5.000 5.000 0.000 peak 10903 weight 0.10000E+01 volume -0.31000E+00 ppm1 1.193 ppm2 2.740
ASSI (
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5.000 5.000 0.000 peak 10905 weight 0.10000E+01 volume 0.70600E+00 ppm1 4.295 ppm2 5.287
ASSI (
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6.000 6.000 0.000 peak 10906 weight 0.10000E+01 volume 0.26600E+00 ppm1 3.964 ppm2 5.282
ASSI (
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6.000 6.000 0.000 peak 10907 weight 0.10000E+01 volume -0.24900E+00 ppm1 6.957 ppm2 2.127
ASSI (
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5.000 5.000 0.000 peak 10908 weight 0.10000E+01 volume -0.45300E+00 ppm1 6.958 ppm2 1.567
ASSI (
(segid " " and resid "114 " and name "HD2 ")
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5.000 5.000 0.000 peak 10909 weight 0.10000E+01 volume -0.10140E+01 ppm1 6.962 ppm2 1.187
ASSI (
(segid " " and resid "114 " and name "HD2 ")
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5.000 5.000 0.000 peak 10910 weight 0.10000E+01 volume -0.39600E+00 ppm1 6.957 ppm2 1.043
ASSI (
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5.000 5.000 0.000 peak 10251 weight 0.10000E+01 volume 0.52500E+00 ppm1 3.979 ppm2 1.545
ASSI (
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5.000 5.000 0.000 peak 10250 weight 0.10000E+01 volume 0.57700E+00 ppm1 3.838 ppm2 1.547
ASSI (
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6.000 6.000 0.000 peak 10946 weight 0.10000E+01 volume 0.27700E+00 ppm1 3.082 ppm2 1.963
ASSI (
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OR
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5.000 5.000 0.000 peak 10947 weight 0.10000E+01 volume 0.44000E+00 ppm1 2.421 ppm2 1.950
ASSI (
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5.000 5.000 0.000 peak 10948 weight 0.10000E+01 volume 0.38500E+00 ppm1 3.071 ppm2 1.515
ASSI (
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6.000 6.000 0.000 peak 10949 weight 0.10000E+01 volume 0.24800E+00 ppm1 3.061 ppm2 4.133
ASSI (
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5.000 5.000 0.000 peak 10950 weight 0.10000E+01 volume 0.31500E+00 ppm1 2.441 ppm2 1.514
ASSI (
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6.000 6.000 0.000 peak 10951 weight 0.10000E+01 volume 0.19600E+00 ppm1 2.436 ppm2 4.144
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OR
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2.700 2.700 0.000 peak 10956 weight 0.10000E+01 volume -0.44560E+01 ppm1 3.381 ppm2 0.926
ASSI (
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6.000 6.000 0.000 peak 10957 weight 0.10000E+01 volume -0.18800E+00 ppm1 3.372 ppm2 1.468
ASSI (
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5.000 5.000 0.000 peak 10959 weight 0.10000E+01 volume -0.90900E+00 ppm1 3.372 ppm2 0.809
ASSI (
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5.000 5.000 0.000 peak 10960 weight 0.10000E+01 volume -0.14400E+01 ppm1 3.381 ppm2 2.172
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5.000 5.000 0.000 peak 10965 weight 0.10000E+01 volume -0.11460E+01 ppm1 0.919 ppm2 4.009
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6.000 6.000 0.000 peak 10966 weight 0.10000E+01 volume -0.25400E+00 ppm1 0.913 ppm2 3.673
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5.000 5.000 0.000 peak 10967 weight 0.10000E+01 volume -0.86000E+00 ppm1 0.916 ppm2 3.100
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5.000 5.000 0.000 peak 10968 weight 0.10000E+01 volume 0.10450E+01 ppm1 2.504 ppm2 0.917
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5.000 5.000 0.000 peak 10969 weight 0.10000E+01 volume 0.96100E+00 ppm1 2.455 ppm2 0.919
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5.000 5.000 0.000 peak 10978 weight 0.10000E+01 volume -0.10670E+01 ppm1 3.392 ppm2 1.505
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5.000 5.000 0.000 peak 10989 weight 0.10000E+01 volume 0.67900E+00 ppm1 3.103 ppm2 4.014
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6.000 6.000 0.000 peak 10991 weight 0.10000E+01 volume -0.11100E+00 ppm1 1.700 ppm2 6.957
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6.000 6.000 0.000 peak 10992 weight 0.10000E+01 volume -0.12300E+00 ppm1 1.478 ppm2 6.958
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3.300 3.300 0.000 peak 11335 weight 0.10000E+01 volume -0.36560E+01 ppm1 0.699 ppm2 3.783
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6.000 6.000 0.000 peak 11469 weight 0.10000E+01 volume -0.99000E-01 ppm1 6.527 ppm2 3.273
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(segid " " and resid "113 " and name "HG22")
OR
(segid " " and resid "113 " and name "HG21")
)
5.000 5.000 0.000 peak 11735 weight 0.10000E+01 volume -0.17210E+01 ppm1 1.438 ppm2 0.741
ASSI (
(segid " " and resid "113 " and name "HG12")
)(
(segid " " and resid "113 " and name "HD13")
OR
(segid " " and resid "113 " and name "HD12")
OR
(segid " " and resid "113 " and name "HD11")
OR
(segid " " and resid "113 " and name "HG23")
OR
(segid " " and resid "113 " and name "HG22")
OR
(segid " " and resid "113 " and name "HG21")
)
5.000 5.000 0.000 peak 11736 weight 0.10000E+01 volume -0.13780E+01 ppm1 1.329 ppm2 0.736
ASSI (
(segid " " and resid "114 " and name "HE1 ")
)(
(segid " " and resid "111 " and name "HG ")
OR
(segid " " and resid "111 " and name "HB2 ")
)
6.000 6.000 0.000 peak 11751 weight 0.10000E+01 volume -0.17400E+00 ppm1 7.826 ppm2 1.959
ASSI (
(segid " " and resid "114 " and name "HE1 ")
)(
(segid " " and resid "144 " and name "HD1 ")
)
6.000 6.000 0.000 peak 11752 weight 0.10000E+01 volume -0.10800E+00 ppm1 7.828 ppm2 4.292
ASSI (
(segid " " and resid "114 " and name "HE1 ")
)(
(segid " " and resid "113 " and name "HG23")
OR
(segid " " and resid "113 " and name "HG22")
OR
(segid " " and resid "113 " and name "HG21")
)
6.000 6.000 0.000 peak 11753 weight 0.10000E+01 volume -0.71000E-01 ppm1 7.830 ppm2 0.736
ASSI (
(segid " " and resid "119 " and name "HB1 ")
)(
(segid " " and resid "121 " and name "HD2 ")
)
6.000 6.000 0.000 peak 11798 weight 0.10000E+01 volume -0.12800E+00 ppm1 2.072 ppm2 7.277
ASSI (
(segid " " and resid "126 " and name "HB2 ")
OR
(segid " " and resid "126 " and name "HB1 ")
)(
(segid " " and resid "160 " and name "HD23")
OR
(segid " " and resid "160 " and name "HD22")
OR
(segid " " and resid "160 " and name "HD21")
OR
(segid " " and resid "156 " and name "HD23")
OR
(segid " " and resid "156 " and name "HD22")
OR
(segid " " and resid "156 " and name "HD21")
)
3.300 3.300 0.000 peak 11838 weight 0.10000E+01 volume -0.23170E+01 ppm1 3.880 ppm2 0.731
ASSI (
(segid " " and resid "136 " and name "HD2 ")
)(
(segid " " and resid "111 " and name "HD23")
OR
(segid " " and resid "111 " and name "HD22")
OR
(segid " " and resid "111 " and name "HD21")
)
6.000 6.000 0.000 peak 11938 weight 0.10000E+01 volume -0.50000E-01 ppm1 6.745 ppm2 0.956
ASSI (
(segid " " and resid "137 " and name "HB2 ")
)(
(segid " " and resid "137 " and name "HG1 ")
)
5.000 5.000 0.000 peak 11954 weight 0.10000E+01 volume -0.63700E+00 ppm1 1.273 ppm2 1.683
ASSI (
(segid " " and resid "147 " and name "HD13")
OR
(segid " " and resid "147 " and name "HD12")
OR
(segid " " and resid "147 " and name "HD11")
)(
(segid " " and resid "114 " and name "HD2 ")
)
5.000 5.000 0.000 peak 12032 weight 0.10000E+01 volume -0.10960E+01 ppm1 1.186 ppm2 6.957
ASSI (
(segid " " and resid "147 " and name "HD23")
OR
(segid " " and resid "147 " and name "HD22")
OR
(segid " " and resid "147 " and name "HD21")
)(
(segid " " and resid "114 " and name "HD2 ")
)
6.000 6.000 0.000 peak 12036 weight 0.10000E+01 volume -0.22800E+00 ppm1 1.048 ppm2 6.961
ASSI (
(segid " " and resid "150 " and name "HG1 ")
)(
(segid " " and resid "150 " and name "HA ")
)
5.000 5.000 0.000 peak 12052 weight 0.10000E+01 volume 0.15780E+01 ppm1 2.554 ppm2 4.048
ASSI (
(segid " " and resid "159 " and name "HA ")
)(
(segid " " and resid "159 " and name "HG23")
OR
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "159 " and name "HG21")
)
3.300 3.300 0.000 peak 12105 weight 0.10000E+01 volume -0.36490E+01 ppm1 3.760 ppm2 0.904
ASSI (
(segid " " and resid "159 " and name "HB ")
)(
(segid " " and resid "159 " and name "HD13")
OR
(segid " " and resid "159 " and name "HD12")
OR
(segid " " and resid "159 " and name "HD11")
OR
(segid " " and resid "159 " and name "HG23")
OR
(segid " " and resid "159 " and name "HG22")
OR
(segid " " and resid "159 " and name "HG21")
)
3.300 3.300 0.000 peak 12109 weight 0.10000E+01 volume 0.29930E+01 ppm1 1.864 ppm2 0.901
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