NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20364 |
2fmc   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 12}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HN ))
3.500 2.000 2.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.13958E-02 ppm1 5.599 ppm2 9.460 CV 1
ASSI { 15}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 55 and name HN ))
2.400 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 4.128 ppm2 9.547 CV 1
ASSI { 17}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
3.500 2.000 2.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 4.552 ppm2 9.454 CV 1
ASSI { 20}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
3.100 1.700 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.30530E-02 ppm1 5.287 ppm2 9.057 CV 1
ASSI { 24}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HN ))
3.500 2.100 2.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 4.771 ppm2 9.016 CV 1
ASSI { 26}
(( segid " " and resid 51 and name HA1 ))
(( segid " " and resid 51 and name HN ))
2.500 1.300 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.10269E-01 ppm1 4.269 ppm2 9.014 CV 1
ASSI { 29}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HN ))
3.000 1.600 1.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.32622E-02 ppm1 5.401 ppm2 9.054 CV 1
ASSI { 33}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
3.500 2.100 2.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.12515E-02 ppm1 2.731 ppm2 8.918 CV 1
ASSI { 34}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
3.200 1.800 1.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.24275E-02 ppm1 5.516 ppm2 8.916 CV 1
ASSI { 35}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HN ))
2.700 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.62555E-02 ppm1 4.944 ppm2 8.979 CV 1
ASSI { 36}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HN ))
2.900 1.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.44557E-02 ppm1 2.890 ppm2 8.978 CV 1
ASSI { 37}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 54 and name HN ))
2.700 1.400 1.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.63238E-02 ppm1 2.459 ppm2 8.979 CV 1
ASSI { 40}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
3.400 1.900 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.15972E-02 ppm1 4.506 ppm2 8.860 CV 1
ASSI { 41}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HN ))
2.800 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.49467E-02 ppm1 2.324 ppm2 8.860 CV 1
OR { 41}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 42}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.000 1.600 1.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.34096E-02 ppm1 2.054 ppm2 8.861 CV 1
ASSI { 43}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.800 1.500 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.47802E-02 ppm1 1.961 ppm2 8.860 CV 1
ASSI { 44}
(( segid " " and resid 5 and name HA1 ))
(( segid " " and resid 5 and name HN ))
3.000 1.600 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.34117E-02 ppm1 4.560 ppm2 8.877 CV 1
ASSI { 45}
(( segid " " and resid 5 and name HA2 ))
(( segid " " and resid 5 and name HN ))
2.900 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.45112E-02 ppm1 3.878 ppm2 8.878 CV 1
ASSI { 46}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
3.100 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.28331E-02 ppm1 4.556 ppm2 8.870 CV 1
ASSI { 47}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HN ))
2.500 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.95754E-02 ppm1 4.293 ppm2 8.745 CV 1
ASSI { 48}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HN ))
2.500 1.300 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.92145E-02 ppm1 3.783 ppm2 8.870 CV 1
ASSI { 50}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HN ))
2.700 1.400 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.59523E-02 ppm1 0.868 ppm2 8.869 CV 1
ASSI { 51}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HN ))
2.700 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.59673E-02 ppm1 4.619 ppm2 8.830 CV 1
ASSI { 52}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 58 and name HN ))
2.400 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.11885E-01 ppm1 1.885 ppm2 8.830 CV 1
ASSI { 53}
( segid " " and resid 58 and name HG1%)
(( segid " " and resid 58 and name HN ))
2.400 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11944E-01 ppm1 0.738 ppm2 8.830 CV 1
ASSI { 54}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HN ))
2.800 1.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.47225E-02 ppm1 0.684 ppm2 8.829 CV 1
ASSI { 62}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HN ))
2.700 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.58926E-02 ppm1 4.015 ppm2 8.720 CV 1
ASSI { 65}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.800 1.500 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.55403E-02 ppm1 4.409 ppm2 8.710 CV 1
ASSI { 66}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
2.400 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.13394E-01 ppm1 3.730 ppm2 8.710 CV 1
OR { 66}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 67}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
3.400 2.000 2.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.15844E-02 ppm1 4.698 ppm2 8.586 CV 1
ASSI { 68}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
3.300 1.900 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.18803E-02 ppm1 3.285 ppm2 8.692 CV 1
ASSI { 70}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.100 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 1.682 ppm2 8.586 CV 1
ASSI { 71}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HN ))
6.000 5.000 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.269 ppm2 8.586 CV 1
OR { 71}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HN ))
ASSI { 73}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HN ))
2.600 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.90309E-02 ppm1 1.892 ppm2 8.633 CV 1
ASSI { 75}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.200 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.22097E-01 ppm1 4.245 ppm2 8.662 CV 1
ASSI { 76}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.200 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.23015E-01 ppm1 2.572 ppm2 8.662 CV 1
OR { 76}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
ASSI { 77}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.300 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.16100E-01 ppm1 4.571 ppm2 8.637 CV 1
ASSI { 78}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HN ))
6.000 5.000 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.828 ppm2 8.636 CV 1
ASSI { 79}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.800 1.500 1.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.52499E-02 ppm1 2.174 ppm2 8.637 CV 1
ASSI { 80}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
2.700 1.400 1.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.67935E-02 ppm1 2.013 ppm2 8.637 CV 1
ASSI { 81}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HN ))
3.100 1.700 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.25641E-02 ppm1 2.753 ppm2 8.637 CV 1
ASSI { 86}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.600 1.300 1.300 peak 86 spectrum 1 weight 0.10000E+01 volume 0.90053E-02 ppm1 4.254 ppm2 8.626 CV 1
ASSI { 87}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 81 and name HN ))
2.700 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.67423E-02 ppm1 0.727 ppm2 8.548 CV 1
ASSI { 88}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HN ))
3.000 1.600 1.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.37512E-02 ppm1 4.022 ppm2 8.547 CV 1
ASSI { 89}
(( segid " " and resid 81 and name HB ))
(( segid " " and resid 82 and name HN ))
2.400 1.200 1.200 peak 89 spectrum 1 weight 0.10000E+01 volume 0.12567E-01 ppm1 1.949 ppm2 8.289 CV 1
ASSI { 90}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 81 and name HN ))
2.500 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.91249E-02 ppm1 0.592 ppm2 8.548 CV 1
ASSI { 92}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.800 1.500 1.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.51901E-02 ppm1 2.978 ppm2 8.566 CV 1
ASSI { 93}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HN ))
6.000 5.000 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.801 ppm2 8.617 CV 1
ASSI { 95}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
3.200 1.800 1.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 4.777 ppm2 8.615 CV 1
ASSI { 96}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HN ))
2.600 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.85954E-02 ppm1 2.493 ppm2 8.615 CV 1
ASSI { 103}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.700 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.60804E-02 ppm1 4.348 ppm2 8.519 CV 1
ASSI { 104}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.000 1.600 1.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.37128E-02 ppm1 3.787 ppm2 8.518 CV 1
ASSI { 105}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
2.900 1.500 1.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.46073E-02 ppm1 3.674 ppm2 8.518 CV 1
ASSI { 111}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
3.500 2.000 2.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.13506E-02 ppm1 4.734 ppm2 8.511 CV 1
ASSI { 112}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HN ))
3.000 1.600 1.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.35867E-02 ppm1 2.165 ppm2 8.512 CV 1
ASSI { 113}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HN ))
3.000 1.600 1.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.31897E-02 ppm1 2.086 ppm2 8.510 CV 1
ASSI { 114}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HN ))
2.500 1.300 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.11367E-01 ppm1 1.791 ppm2 8.512 CV 1
ASSI { 115}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HN ))
2.800 1.500 1.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.53609E-02 ppm1 1.612 ppm2 8.512 CV 1
ASSI { 117}
(( segid " " and resid 69 and name HA1 ))
(( segid " " and resid 69 and name HN ))
2.600 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.73186E-02 ppm1 3.919 ppm2 8.446 CV 1
ASSI { 118}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.800 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.46606E-02 ppm1 4.388 ppm2 8.458 CV 1
ASSI { 119}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.300 1.200 1.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.15714E-01 ppm1 3.724 ppm2 8.459 CV 1
OR { 119}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 120}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.500 1.300 1.300 peak 120 spectrum 1 weight 0.10000E+01 volume 0.10197E-01 ppm1 4.157 ppm2 8.471 CV 1
ASSI { 122}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 26 and name HN ))
6.000 5.000 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.251 ppm2 8.471 CV 1
ASSI { 124}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HN ))
2.800 1.500 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.48122E-02 ppm1 4.449 ppm2 8.399 CV 1
ASSI { 125}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HN ))
3.000 1.600 1.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.37213E-02 ppm1 2.598 ppm2 8.400 CV 1
ASSI { 126}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 63 and name HN ))
2.900 1.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.43852E-02 ppm1 2.379 ppm2 8.399 CV 1
ASSI { 127}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HN ))
6.000 5.000 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.788 ppm2 8.263 CV 1
ASSI { 128}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HN ))
2.800 1.500 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.47247E-02 ppm1 0.848 ppm2 8.259 CV 1
ASSI { 129}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HN ))
2.600 1.300 1.300 peak 129 spectrum 1 weight 0.10000E+01 volume 0.83498E-02 ppm1 3.612 ppm2 8.335 CV 1
OR { 129}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HN ))
ASSI { 130}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HN ))
6.000 5.000 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.087 ppm2 8.260 CV 1
ASSI { 131}
( segid " " and resid 46 and name HG1%)
(( segid " " and resid 46 and name HN ))
3.100 1.700 1.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.27178E-02 ppm1 0.947 ppm2 8.260 CV 1
ASSI { 132}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HN ))
2.600 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.78545E-02 ppm1 4.690 ppm2 8.388 CV 1
ASSI { 133}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HN ))
3.000 1.600 1.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.34565E-02 ppm1 2.748 ppm2 8.387 CV 1
ASSI { 134}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HN ))
3.300 1.900 1.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.18711E-02 ppm1 2.633 ppm2 8.387 CV 1
ASSI { 135}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HN ))
2.400 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.13915E-01 ppm1 4.133 ppm2 8.334 CV 1
ASSI { 136}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 30 and name HN ))
2.400 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.14586E-01 ppm1 3.789 ppm2 8.379 CV 1
OR { 136}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 137}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 78 and name HN ))
2.200 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.19417E-01 ppm1 1.242 ppm2 8.334 CV 1
ASSI { 138}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HN ))
2.800 1.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.51538E-02 ppm1 4.584 ppm2 8.354 CV 1
ASSI { 139}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HN ))
2.700 1.400 1.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.63174E-02 ppm1 2.636 ppm2 8.354 CV 1
ASSI { 140}
(( segid " " and resid 64 and name HB3 ))
(( segid " " and resid 64 and name HN ))
2.800 1.500 1.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.55894E-02 ppm1 2.505 ppm2 8.355 CV 1
ASSI { 141}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
3.600 2.100 2.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 4.164 ppm2 8.305 CV 1
ASSI { 142}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.200 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.19281E-01 ppm1 1.501 ppm2 8.305 CV 1
ASSI { 144}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
2.600 1.300 1.300 peak 144 spectrum 1 weight 0.10000E+01 volume 0.79506E-02 ppm1 4.503 ppm2 8.361 CV 1
ASSI { 145}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.965 ppm2 8.275 CV 1
ASSI { 146}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HN ))
2.700 1.400 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.59438E-02 ppm1 2.680 ppm2 8.361 CV 1
ASSI { 147}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
3.000 1.600 1.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.36722E-02 ppm1 2.567 ppm2 8.362 CV 1
ASSI { 148}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HN ))
3.500 2.100 2.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.12452E-02 ppm1 1.319 ppm2 8.276 CV 1
OR { 148}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 62 and name HN ))
ASSI { 149}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HN ))
3.100 1.700 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.26196E-02 ppm1 0.826 ppm2 8.273 CV 1
ASSI { 151}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HN ))
2.500 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.90630E-02 ppm1 4.245 ppm2 8.292 CV 1
ASSI { 154}
(( segid " " and resid 27 and name HA2 ))
(( segid " " and resid 27 and name HN ))
2.300 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.18610E-01 ppm1 3.810 ppm2 8.320 CV 1
OR { 154}
(( segid " " and resid 27 and name HA1 ))
(( segid " " and resid 27 and name HN ))
ASSI { 158}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
2.600 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.81876E-02 ppm1 4.397 ppm2 8.181 CV 1
ASSI { 159}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 2 and name HN ))
2.900 1.500 1.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.46244E-02 ppm1 3.781 ppm2 8.181 CV 1
ASSI { 160}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.400 1.200 1.200 peak 160 spectrum 1 weight 0.10000E+01 volume 0.12823E-01 ppm1 4.477 ppm2 8.238 CV 1
ASSI { 161}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
3.000 1.600 1.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.34458E-02 ppm1 2.672 ppm2 8.238 CV 1
ASSI { 162}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.700 1.400 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.68661E-02 ppm1 2.591 ppm2 8.238 CV 1
ASSI { 163}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HN ))
6.000 5.000 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.055 ppm2 8.178 CV 1
ASSI { 164}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HN ))
2.300 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.18470E-01 ppm1 4.178 ppm2 8.176 CV 1
ASSI { 165}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 66 and name HN ))
6.000 5.000 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.061 ppm2 8.249 CV 1
ASSI { 169}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 82 and name HN ))
2.200 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.24488E-01 ppm1 1.228 ppm2 8.289 CV 1
ASSI { 173}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HN ))
2.800 1.500 1.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.52563E-02 ppm1 4.781 ppm2 8.136 CV 1
ASSI { 174}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HN ))
2.800 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.48315E-02 ppm1 3.110 ppm2 8.135 CV 1
ASSI { 175}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HN ))
2.600 1.400 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.72248E-02 ppm1 4.411 ppm2 8.110 CV 1
ASSI { 176}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HN ))
2.700 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.69579E-02 ppm1 3.875 ppm2 8.110 CV 1
ASSI { 178}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HN ))
2.300 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.15586E-01 ppm1 4.206 ppm2 8.173 CV 1
ASSI { 180}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HN ))
6.000 5.000 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.060 ppm2 8.173 CV 1
ASSI { 181}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 70 and name HN ))
6.000 5.000 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.740 ppm2 8.138 CV 1
ASSI { 182}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 70 and name HN ))
2.600 1.300 1.300 peak 182 spectrum 1 weight 0.10000E+01 volume 0.83669E-02 ppm1 2.631 ppm2 8.138 CV 1
ASSI { 183}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HN ))
2.400 1.200 1.200 peak 183 spectrum 1 weight 0.10000E+01 volume 0.12593E-01 ppm1 4.676 ppm2 8.139 CV 1
ASSI { 192}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
2.500 1.300 1.300 peak 192 spectrum 1 weight 0.10000E+01 volume 0.10036E-01 ppm1 1.505 ppm2 8.051 CV 1
ASSI { 193}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HN ))
2.900 1.500 1.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.46286E-02 ppm1 0.771 ppm2 8.051 CV 1
ASSI { 197}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 74 and name HN ))
2.500 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.10312E-01 ppm1 1.621 ppm2 8.104 CV 1
ASSI { 202}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.884 ppm2 8.144 CV 1
ASSI { 204}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 37 and name HN ))
2.400 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.13589E-01 ppm1 1.896 ppm2 8.144 CV 1
ASSI { 205}
( segid " " and resid 37 and name HG1%)
(( segid " " and resid 37 and name HN ))
2.700 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.58818E-02 ppm1 0.777 ppm2 8.145 CV 1
OR { 205}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HN ))
ASSI { 209}
(( segid " " and resid 48 and name HA2 ))
(( segid " " and resid 48 and name HN ))
3.400 1.900 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.16369E-02 ppm1 2.656 ppm2 8.029 CV 1
ASSI { 212}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
6.000 5.000 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.548 ppm2 8.086 CV 1
OR { 212}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HN ))
ASSI { 217}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.600 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.84865E-02 ppm1 4.183 ppm2 8.153 CV 1
ASSI { 218}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.300 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19095E-01 ppm1 1.502 ppm2 8.153 CV 1
OR { 218}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
ASSI { 219}
(( segid " " and resid 32 and name HG ))
(( segid " " and resid 32 and name HN ))
2.800 1.500 1.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.53588E-02 ppm1 1.425 ppm2 8.153 CV 1
ASSI { 220}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HN ))
2.800 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.55573E-02 ppm1 0.768 ppm2 8.153 CV 1
OR { 220}
( segid " " and resid 32 and name HD2%)
(( segid " " and resid 32 and name HN ))
ASSI { 221}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.200 1.100 1.100 peak 221 spectrum 1 weight 0.10000E+01 volume 0.20893E-01 ppm1 4.243 ppm2 7.976 CV 1
ASSI { 222}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 41 and name HN ))
2.200 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.20880E-01 ppm1 1.270 ppm2 7.976 CV 1
ASSI { 225}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
3.400 2.000 2.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.15743E-02 ppm1 4.511 ppm2 7.914 CV 1
ASSI { 226}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.000 1.600 1.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.34245E-02 ppm1 3.082 ppm2 7.912 CV 1
ASSI { 227}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.700 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.58690E-02 ppm1 2.281 ppm2 7.915 CV 1
ASSI { 237}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 35 and name HN ))
3.100 1.700 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.27541E-02 ppm1 0.696 ppm2 7.965 CV 1
ASSI { 238}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HN ))
2.900 1.600 1.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.41163E-02 ppm1 4.745 ppm2 7.936 CV 1
ASSI { 239}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
3.000 1.700 1.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.30872E-02 ppm1 4.299 ppm2 7.963 CV 1
ASSI { 241}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HN ))
2.400 1.200 1.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.12964E-01 ppm1 2.854 ppm2 7.935 CV 1
ASSI { 242}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HN ))
2.500 1.300 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.10449E-01 ppm1 1.743 ppm2 7.963 CV 1
ASSI { 243}
(( segid " " and resid 35 and name HG13))
(( segid " " and resid 35 and name HN ))
2.900 1.600 1.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.39155E-02 ppm1 1.015 ppm2 7.965 CV 1
ASSI { 244}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HN ))
2.600 1.400 1.400 peak 244 spectrum 1 weight 0.10000E+01 volume 0.74297E-02 ppm1 4.067 ppm2 7.890 CV 1
ASSI { 245}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 48 and name HN ))
3.100 1.700 1.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.25427E-02 ppm1 3.936 ppm2 8.030 CV 1
ASSI { 246}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 65 and name HN ))
2.700 1.400 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.65095E-02 ppm1 2.000 ppm2 7.891 CV 1
ASSI { 247}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 65 and name HN ))
2.400 1.200 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.12641E-01 ppm1 0.762 ppm2 7.891 CV 1
ASSI { 249}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.300 1.200 1.200 peak 249 spectrum 1 weight 0.10000E+01 volume 0.15094E-01 ppm1 4.183 ppm2 7.916 CV 1
ASSI { 250}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.700 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.67380E-02 ppm1 1.448 ppm2 7.916 CV 1
ASSI { 263}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HN ))
2.900 1.500 1.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.44065E-02 ppm1 3.837 ppm2 7.881 CV 1
ASSI { 264}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 49 and name HN ))
2.700 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.66269E-02 ppm1 1.752 ppm2 7.881 CV 1
ASSI { 265}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HN ))
2.500 1.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.10733E-01 ppm1 0.783 ppm2 7.884 CV 1
OR { 265}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 49 and name HN ))
ASSI { 273}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HN ))
3.100 1.700 1.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.28416E-02 ppm1 5.553 ppm2 7.621 CV 1
ASSI { 274}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 80 and name HN ))
2.700 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.66397E-02 ppm1 2.871 ppm2 7.620 CV 1
ASSI { 275}
(( segid " " and resid 80 and name HB3 ))
(( segid " " and resid 80 and name HN ))
2.900 1.600 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.41632E-02 ppm1 2.767 ppm2 7.619 CV 1
ASSI { 290}
( segid " " and resid 8 and name HG2%)
(( segid " " and resid 8 and name HN ))
3.000 1.600 1.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.32878E-02 ppm1 1.124 ppm2 7.567 CV 1
ASSI { 291}
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 8 and name HN ))
2.600 1.300 1.300 peak 291 spectrum 1 weight 0.10000E+01 volume 0.86317E-02 ppm1 3.845 ppm2 7.567 CV 1
ASSI { 292}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.800 1.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.51560E-02 ppm1 3.673 ppm2 7.570 CV 1
ASSI { 310}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.600 1.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.39497E-02 ppm1 4.044 ppm2 7.453 CV 1
ASSI { 312}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HN ))
2.700 1.400 1.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.59139E-02 ppm1 1.150 ppm2 7.455 CV 1
ASSI { 313}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HN ))
2.700 1.400 1.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.63879E-02 ppm1 0.759 ppm2 7.453 CV 1
ASSI { 319}
( segid " " and resid 56 and name HB% )
(( segid " " and resid 56 and name HN ))
2.200 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.21648E-01 ppm1 1.276 ppm2 7.055 CV 1
ASSI { 436}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HB ))
2.400 1.200 1.200 peak 436 spectrum 1 weight 0.10000E+01 volume 0.11721E-01 ppm1 4.176 ppm2 4.057 CV 1
ASSI { 439}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 24 and name HA2 ))
2.500 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10807E-01 ppm1 4.041 ppm2 3.898 CV 1
ASSI { 440}
(( segid " " and resid 5 and name HA1 ))
(( segid " " and resid 5 and name HA2 ))
2.700 1.400 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.57516E-02 ppm1 4.559 ppm2 3.878 CV 1
ASSI { 443}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
6.000 5.000 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.348 ppm2 3.788 CV 1
ASSI { 445}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB3 ))
2.400 1.200 1.200 peak 445 spectrum 1 weight 0.10000E+01 volume 0.13512E-01 ppm1 4.245 ppm2 3.768 CV 1
OR { 445}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB2 ))
ASSI { 446}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
6.000 5.000 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.389 ppm2 3.723 CV 1
OR { 446}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
ASSI { 448}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
2.300 1.100 1.100 peak 448 spectrum 1 weight 0.10000E+01 volume 0.18786E-01 ppm1 4.619 ppm2 3.692 CV 1
OR { 448}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 449}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HD2 ))
3.200 1.800 1.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.21349E-02 ppm1 4.278 ppm2 3.696 CV 1
ASSI { 451}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 55 and name HA2 ))
2.600 1.300 1.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.84631E-02 ppm1 4.128 ppm2 3.649 CV 1
ASSI { 453}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB3 ))
2.300 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.19065E-01 ppm1 4.654 ppm2 3.612 CV 1
OR { 453}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB2 ))
ASSI { 454}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD2 ))
6.000 5.000 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.194 ppm2 3.608 CV 1
ASSI { 455}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HD3 ))
3.600 2.100 2.100 peak 455 spectrum 1 weight 0.10000E+01 volume 0.12165E-02 ppm1 4.278 ppm2 3.573 CV 1
ASSI { 460}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB3 ))
2.700 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.59950E-02 ppm1 4.621 ppm2 3.548 CV 1
OR { 460}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
ASSI { 461}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HD3 ))
2.800 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.51688E-02 ppm1 4.283 ppm2 3.521 CV 1
ASSI { 463}
(( segid " " and resid 51 and name HA1 ))
(( segid " " and resid 51 and name HA2 ))
6.000 5.000 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.269 ppm2 3.457 CV 1
ASSI { 465}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD3 ))
3.300 1.800 1.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.20417E-02 ppm1 4.194 ppm2 3.399 CV 1
ASSI { 466}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 44 and name HA2 ))
2.700 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.65245E-02 ppm1 4.411 ppm2 3.418 CV 1
ASSI { 467}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG3 ))
3.100 1.700 1.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.29164E-02 ppm1 4.509 ppm2 2.326 CV 1
OR { 467}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 472}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
2.300 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.18360E-01 ppm1 4.194 ppm2 2.207 CV 1
ASSI { 473}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
3.500 2.000 2.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.14268E-02 ppm1 3.607 ppm2 2.208 CV 1
ASSI { 475}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HB2 ))
3.300 1.900 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.18132E-02 ppm1 2.753 ppm2 2.174 CV 1
ASSI { 476}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
2.800 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.48912E-02 ppm1 4.567 ppm2 2.172 CV 1
ASSI { 477}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG2 ))
3.900 2.400 2.100 peak 477 spectrum 1 weight 0.10000E+01 volume 0.74788E-03 ppm1 4.731 ppm2 2.164 CV 1
ASSI { 478}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HB2 ))
3.100 1.700 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.25620E-02 ppm1 2.825 ppm2 2.172 CV 1
ASSI { 480}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HB2 ))
3.700 2.200 2.200 peak 480 spectrum 1 weight 0.10000E+01 volume 0.91996E-03 ppm1 3.576 ppm2 2.152 CV 1
ASSI { 481}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HB2 ))
3.800 2.300 2.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.78567E-03 ppm1 3.696 ppm2 2.152 CV 1
ASSI { 483}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HB2 ))
6.000 5.000 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.463 ppm2 2.136 CV 1
OR { 483}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 487}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
3.900 2.400 2.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.65906E-03 ppm1 5.113 ppm2 2.094 CV 1
ASSI { 488}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB ))
2.800 1.500 1.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.56043E-02 ppm1 4.790 ppm2 2.085 CV 1
ASSI { 489}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HG2 ))
4.100 2.600 1.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.55232E-03 ppm1 3.578 ppm2 2.093 CV 1
ASSI { 490}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG3 ))
2.900 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.45240E-02 ppm1 4.735 ppm2 2.087 CV 1
ASSI { 493}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
3.100 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.29036E-02 ppm1 4.567 ppm2 2.014 CV 1
ASSI { 495}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HB3 ))
3.000 1.700 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.31747E-02 ppm1 2.828 ppm2 2.014 CV 1
ASSI { 496}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HB3 ))
3.200 1.700 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.24872E-02 ppm1 2.753 ppm2 2.013 CV 1
ASSI { 498}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB ))
2.400 1.200 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.11931E-01 ppm1 4.069 ppm2 2.001 CV 1
ASSI { 500}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
3.100 1.700 1.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.29078E-02 ppm1 4.509 ppm2 1.962 CV 1
ASSI { 503}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB ))
6.000 5.000 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 1.949 CV 1
ASSI { 504}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB ))
2.600 1.400 1.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.78567E-02 ppm1 3.884 ppm2 1.892 CV 1
ASSI { 505}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG2 ))
6.000 5.000 0.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.699 ppm2 1.917 CV 1
ASSI { 506}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
6.000 5.000 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.194 ppm2 1.906 CV 1
ASSI { 508}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG3 ))
6.000 5.000 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.273 ppm2 1.860 CV 1
OR { 508}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 509}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HG3 ))
6.000 5.000 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.463 ppm2 1.861 CV 1
OR { 509}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HG2 ))
OR { 509}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 510}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
6.000 5.000 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.196 ppm2 1.867 CV 1
ASSI { 511}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.100 1.700 1.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.26410E-02 ppm1 5.112 ppm2 1.849 CV 1
ASSI { 513}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HG3 ))
6.000 5.000 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.573 ppm2 1.871 CV 1
ASSI { 514}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG3 ))
6.000 5.000 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.196 ppm2 1.819 CV 1
ASSI { 515}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG3 ))
6.000 5.000 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.697 ppm2 1.871 CV 1
ASSI { 516}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
6.000 5.000 0.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.273 ppm2 2.137 CV 1
ASSI { 518}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB2 ))
2.900 1.600 1.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.37853E-02 ppm1 4.731 ppm2 1.792 CV 1
ASSI { 520}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB ))
3.300 1.900 1.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.19148E-02 ppm1 3.285 ppm2 1.751 CV 1
ASSI { 521}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB ))
2.700 1.400 1.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.60206E-02 ppm1 3.837 ppm2 1.752 CV 1
ASSI { 522}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB ))
6.000 5.000 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.299 ppm2 1.743 CV 1
ASSI { 530}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB ))
2.700 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.61444E-02 ppm1 3.258 ppm2 1.652 CV 1
ASSI { 533}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB ))
2.700 1.400 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.58605E-02 ppm1 4.611 ppm2 1.619 CV 1
ASSI { 547}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.900 1.600 1.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.37938E-02 ppm1 5.112 ppm2 1.516 CV 1
ASSI { 548}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
6.000 5.000 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 1.507 CV 1
OR { 548}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 551}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG ))
6.000 5.000 0.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.170 ppm2 1.420 CV 1
ASSI { 552}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG12))
3.000 1.600 1.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.34159E-02 ppm1 3.258 ppm2 1.440 CV 1
ASSI { 558}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG12))
6.000 5.000 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.299 ppm2 1.358 CV 1
ASSI { 563}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 56 and name HB% )
2.300 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16917E-01 ppm1 4.600 ppm2 1.276 CV 1
ASSI { 564}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 41 and name HB% )
6.000 5.000 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.245 ppm2 1.274 CV 1
ASSI { 566}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HB% )
6.000 5.000 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.157 ppm2 1.251 CV 1
ASSI { 567}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 82 and name HB% )
6.000 5.000 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.987 ppm2 1.223 CV 1
ASSI { 572}
(( segid " " and resid 1 and name HA ))
( segid " " and resid 1 and name HB% )
6.000 5.000 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.176 ppm2 1.266 CV 1
ASSI { 576}
(( segid " " and resid 8 and name HB ))
( segid " " and resid 8 and name HG2%)
2.600 1.400 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.72205E-02 ppm1 3.848 ppm2 1.124 CV 1
ASSI { 577}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HG2%)
2.500 1.300 1.300 peak 577 spectrum 1 weight 0.10000E+01 volume 0.10438E-01 ppm1 3.673 ppm2 1.124 CV 1
ASSI { 592}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 2 and name HG2%)
2.600 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.78076E-02 ppm1 4.402 ppm2 1.054 CV 1
ASSI { 593}
(( segid " " and resid 2 and name HB ))
( segid " " and resid 2 and name HG2%)
2.500 1.300 1.300 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10534E-01 ppm1 3.779 ppm2 1.054 CV 1
ASSI { 594}
(( segid " " and resid 66 and name HB ))
( segid " " and resid 66 and name HG2%)
2.300 1.100 1.100 peak 594 spectrum 1 weight 0.10000E+01 volume 0.18091E-01 ppm1 4.061 ppm2 1.048 CV 1
ASSI { 602}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG13))
3.000 1.600 1.600 peak 602 spectrum 1 weight 0.10000E+01 volume 0.32665E-02 ppm1 4.300 ppm2 1.016 CV 1
ASSI { 608}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HG1%)
2.500 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.10662E-01 ppm1 4.788 ppm2 0.946 CV 1
ASSI { 609}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG13))
3.100 1.700 1.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.28032E-02 ppm1 3.257 ppm2 0.913 CV 1
ASSI { 613}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 3 and name HG2%)
6.000 5.000 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.554 ppm2 0.869 CV 1
ASSI { 614}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 3 and name HG2%)
2.600 1.300 1.300 peak 614 spectrum 1 weight 0.10000E+01 volume 0.86786E-02 ppm1 3.779 ppm2 0.868 CV 1
ASSI { 616}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HG2%)
6.000 5.000 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.790 ppm2 0.851 CV 1
ASSI { 617}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 47 and name HG1%)
2.600 1.400 1.400 peak 617 spectrum 1 weight 0.10000E+01 volume 0.77820E-02 ppm1 3.285 ppm2 0.845 CV 1
ASSI { 622}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HG2%)
2.600 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.73848E-02 ppm1 3.888 ppm2 0.778 CV 1
OR { 622}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HG1%)
ASSI { 623}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HG2%)
6.000 5.000 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.298 ppm2 0.789 CV 1
ASSI { 624}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD1%)
6.000 5.000 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 0.769 CV 1
ASSI { 625}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 65 and name HG1%)
6.000 5.000 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.068 ppm2 0.762 CV 1
OR { 625}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 65 and name HG2%)
ASSI { 628}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 50 and name HG2%)
2.600 1.300 1.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.82047E-02 ppm1 3.258 ppm2 0.721 CV 1
ASSI { 630}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD2%)
6.000 5.000 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.172 ppm2 0.699 CV 1
ASSI { 631}
(( segid " " and resid 81 and name HA ))
( segid " " and resid 81 and name HG1%)
6.000 5.000 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.025 ppm2 0.728 CV 1
ASSI { 632}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 47 and name HG2%)
2.500 1.300 1.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.10572E-01 ppm1 3.285 ppm2 0.667 CV 1
ASSI { 634}
(( segid " " and resid 81 and name HA ))
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.021 ppm2 0.590 CV 1
ASSI { 639}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB2 ))
3.000 1.600 1.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.36123E-02 ppm1 4.779 ppm2 3.109 CV 1
ASSI { 640}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
6.000 5.000 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.508 ppm2 3.088 CV 1
ASSI { 641}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.800 1.500 1.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.48229E-02 ppm1 5.285 ppm2 2.948 CV 1
ASSI { 642}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB2 ))
6.000 5.000 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.603 ppm2 2.901 CV 1
ASSI { 643}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
4.000 2.500 2.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.59544E-03 ppm1 4.854 ppm2 2.977 CV 1
ASSI { 644}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB2 ))
6.000 5.000 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.553 ppm2 2.873 CV 1
ASSI { 645}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB2 ))
2.700 1.400 1.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.64220E-02 ppm1 4.944 ppm2 2.887 CV 1
ASSI { 646}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB3 ))
2.200 1.100 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.19157E-01 ppm1 4.747 ppm2 2.856 CV 1
OR { 646}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB2 ))
ASSI { 648}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG2 ))
3.000 1.600 1.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.32665E-02 ppm1 4.567 ppm2 2.827 CV 1
ASSI { 649}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HB2 ))
3.300 1.900 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.19691E-02 ppm1 5.401 ppm2 2.802 CV 1
ASSI { 651}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.500 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.11447E-01 ppm1 4.255 ppm2 2.836 CV 1
ASSI { 653}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.300 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.16958E-01 ppm1 4.779 ppm2 2.801 CV 1
ASSI { 654}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB3 ))
6.000 5.000 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.553 ppm2 2.766 CV 1
ASSI { 655}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.300 1.200 1.200 peak 655 spectrum 1 weight 0.10000E+01 volume 0.15128E-01 ppm1 4.255 ppm2 2.790 CV 1
ASSI { 658}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB2 ))
2.400 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.13807E-01 ppm1 4.690 ppm2 2.749 CV 1
ASSI { 660}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB3 ))
2.600 1.300 1.300 peak 660 spectrum 1 weight 0.10000E+01 volume 0.88709E-02 ppm1 4.781 ppm2 2.726 CV 1
ASSI { 664}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
2.300 1.200 1.200 peak 664 spectrum 1 weight 0.10000E+01 volume 0.16384E-01 ppm1 4.503 ppm2 2.680 CV 1
ASSI { 665}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HB3 ))
3.400 1.900 1.900 peak 665 spectrum 1 weight 0.10000E+01 volume 0.16561E-02 ppm1 5.401 ppm2 2.683 CV 1
ASSI { 666}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.700 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.64177E-02 ppm1 5.287 ppm2 2.649 CV 1
ASSI { 667}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB3 ))
6.000 5.000 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.690 ppm2 2.632 CV 1
ASSI { 670}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB2 ))
2.400 1.200 1.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13242E-01 ppm1 4.587 ppm2 2.637 CV 1
ASSI { 671}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB3 ))
6.000 5.000 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.523 ppm2 2.622 CV 1
ASSI { 672}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.800 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.51240E-02 ppm1 4.450 ppm2 2.598 CV 1
ASSI { 675}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
2.100 1.000 1.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.29805E-01 ppm1 4.245 ppm2 2.572 CV 1
OR { 675}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 676}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
2.400 1.200 1.200 peak 676 spectrum 1 weight 0.10000E+01 volume 0.12368E-01 ppm1 4.503 ppm2 2.567 CV 1
ASSI { 678}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
3.100 1.700 1.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.28374E-02 ppm1 5.518 ppm2 2.510 CV 1
ASSI { 681}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB3 ))
2.300 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.16215E-01 ppm1 4.585 ppm2 2.503 CV 1
ASSI { 682}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
2.300 1.200 1.200 peak 682 spectrum 1 weight 0.10000E+01 volume 0.17161E-01 ppm1 4.780 ppm2 2.495 CV 1
ASSI { 688}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB3 ))
2.700 1.400 1.400 peak 688 spectrum 1 weight 0.10000E+01 volume 0.63665E-02 ppm1 4.944 ppm2 2.459 CV 1
ASSI { 689}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB3 ))
6.000 5.000 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.602 ppm2 2.426 CV 1
ASSI { 690}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB3 ))
2.800 1.500 1.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.47631E-02 ppm1 4.450 ppm2 2.381 CV 1
ASSI { 708}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HG13))
2.800 1.500 1.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.47909E-02 ppm1 1.744 ppm2 1.013 CV 1
ASSI { 709}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 46 and name HG1%)
2.300 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.15882E-01 ppm1 2.089 ppm2 0.946 CV 1
ASSI { 712}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 46 and name HG2%)
2.300 1.200 1.200 peak 712 spectrum 1 weight 0.10000E+01 volume 0.15330E-01 ppm1 2.089 ppm2 0.845 CV 1
ASSI { 714}
(( segid " " and resid 47 and name HB ))
( segid " " and resid 47 and name HG1%)
6.000 5.000 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.755 ppm2 0.846 CV 1
ASSI { 716}
(( segid " " and resid 37 and name HB ))
( segid " " and resid 37 and name HG2%)
6.000 5.000 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.895 ppm2 0.778 CV 1
OR { 716}
(( segid " " and resid 37 and name HB ))
( segid " " and resid 37 and name HG1%)
ASSI { 717}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG2%)
6.000 5.000 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.745 ppm2 0.787 CV 1
ASSI { 719}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 65 and name HG2%)
6.000 5.000 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.003 ppm2 0.762 CV 1
OR { 719}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 65 and name HG1%)
ASSI { 721}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 58 and name HG1%)
6.000 5.000 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.885 ppm2 0.739 CV 1
ASSI { 723}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 50 and name HG2%)
2.600 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.74254E-02 ppm1 1.652 ppm2 0.721 CV 1
ASSI { 724}
(( segid " " and resid 81 and name HB ))
( segid " " and resid 81 and name HG1%)
6.000 5.000 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.947 ppm2 0.725 CV 1
ASSI { 726}
(( segid " " and resid 47 and name HB ))
( segid " " and resid 47 and name HG2%)
2.500 1.300 1.300 peak 726 spectrum 1 weight 0.10000E+01 volume 0.10519E-01 ppm1 1.755 ppm2 0.664 CV 1
ASSI { 755}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HB2 ))
6.000 5.000 0.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.165 ppm2 1.791 CV 1
ASSI { 766}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HD3 ))
2.400 1.200 1.200 peak 766 spectrum 1 weight 0.10000E+01 volume 0.12904E-01 ppm1 3.607 ppm2 3.400 CV 1
ASSI { 767}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 36 and name HD3 ))
2.200 1.100 1.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.20035E-01 ppm1 3.760 ppm2 3.524 CV 1
ASSI { 768}
(( segid " " and resid 69 and name HA1 ))
(( segid " " and resid 69 and name HA2 ))
2.400 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.13253E-01 ppm1 3.918 ppm2 3.749 CV 1
ASSI { 769}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
3.000 1.600 1.600 peak 769 spectrum 1 weight 0.10000E+01 volume 0.32238E-02 ppm1 5.523 ppm2 9.843 CV 1
ASSI { 770}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.000 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.31832E-02 ppm1 2.756 ppm2 9.844 CV 1
ASSI { 771}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.800 1.500 1.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.49254E-02 ppm1 2.621 ppm2 9.844 CV 1
ASSI { 772}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB2 ))
6.000 5.000 0.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.523 ppm2 2.760 CV 1
ASSI { 773}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 55 and name HN ))
2.400 1.200 1.200 peak 773 spectrum 1 weight 0.10000E+01 volume 0.13663E-01 ppm1 3.649 ppm2 9.547 CV 1
ASSI { 774}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HN ))
4.000 2.500 2.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.58349E-03 ppm1 2.902 ppm2 9.462 CV 1
ASSI { 775}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 61 and name HN ))
4.000 2.500 2.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.56961E-03 ppm1 2.425 ppm2 9.462 CV 1
ASSI { 776}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.300 1.800 1.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.20435E-02 ppm1 2.611 ppm2 9.455 CV 1
ASSI { 777}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.200 1.700 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 2.500 ppm2 9.455 CV 1
ASSI { 778}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.800 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.49276E-02 ppm1 2.952 ppm2 9.059 CV 1
ASSI { 779}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
3.100 1.700 1.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.28609E-02 ppm1 2.652 ppm2 9.059 CV 1
ASSI { 780}
(( segid " " and resid 51 and name HA2 ))
(( segid " " and resid 51 and name HN ))
2.500 1.300 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.10364E-01 ppm1 3.457 ppm2 9.012 CV 1
ASSI { 781}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HN ))
3.300 1.900 1.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.17824E-02 ppm1 2.802 ppm2 9.055 CV 1
ASSI { 782}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 60 and name HN ))
2.900 1.600 1.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.39283E-02 ppm1 2.683 ppm2 9.054 CV 1
ASSI { 783}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HN ))
3.300 1.900 1.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.18111E-02 ppm1 2.504 ppm2 8.918 CV 1
ASSI { 785}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
3.100 1.700 1.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.29868E-02 ppm1 4.509 ppm2 2.048 CV 1
ASSI { 786}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HB2 ))
2.500 1.300 1.300 peak 786 spectrum 1 weight 0.10000E+01 volume 0.10743E-01 ppm1 2.326 ppm2 2.048 CV 1
OR { 786}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 787}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB3 ))
2.500 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.11154E-01 ppm1 2.327 ppm2 1.961 CV 1
OR { 787}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HB3 ))
ASSI { 788}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 58 and name HG2%)
6.000 5.000 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.885 ppm2 0.684 CV 1
ASSI { 791}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
2.900 1.500 1.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.43661E-02 ppm1 3.763 ppm2 8.634 CV 1
ASSI { 792}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
6.000 5.000 0.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 3.730 CV 1
OR { 792}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
ASSI { 793}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.900 1.600 1.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.38836E-02 ppm1 4.852 ppm2 8.564 CV 1
ASSI { 795}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 44 and name HN ))
2.800 1.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.46841E-02 ppm1 4.413 ppm2 8.598 CV 1
ASSI { 796}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB ))
6.000 5.000 0.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.760 ppm2 1.892 CV 1
ASSI { 797}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG3 ))
2.700 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.65715E-02 ppm1 4.570 ppm2 2.751 CV 1
ASSI { 798}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB3 ))
2.400 1.200 1.200 peak 798 spectrum 1 weight 0.10000E+01 volume 0.12178E-01 ppm1 2.174 ppm2 2.013 CV 1
ASSI { 799}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HG3 ))
6.000 5.000 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.831 ppm2 2.753 CV 1
ASSI { 800}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 44 and name HN ))
3.100 1.700 1.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.30530E-02 ppm1 3.415 ppm2 8.598 CV 1
ASSI { 802}
(( segid " " and resid 81 and name HB ))
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.947 ppm2 0.589 CV 1
ASSI { 803}
( segid " " and resid 81 and name HG1%)
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.729 ppm2 0.591 CV 1
ASSI { 804}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.200 1.800 1.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.23357E-02 ppm1 2.789 ppm2 8.626 CV 1
ASSI { 805}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
6.000 5.000 0.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.834 ppm2 8.626 CV 1
ASSI { 806}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.700 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.60868E-02 ppm1 2.517 ppm2 8.566 CV 1
ASSI { 807}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB3 ))
2.800 1.500 1.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.53161E-02 ppm1 4.852 ppm2 2.516 CV 1
ASSI { 808}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
2.700 1.400 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.71052E-02 ppm1 4.347 ppm2 3.674 CV 1
ASSI { 809}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
6.000 5.000 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.735 ppm2 1.613 CV 1
ASSI { 810}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HG3 ))
2.300 1.200 1.200 peak 810 spectrum 1 weight 0.10000E+01 volume 0.17080E-01 ppm1 2.165 ppm2 2.089 CV 1
ASSI { 814}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HB3 ))
2.300 1.200 1.200 peak 814 spectrum 1 weight 0.10000E+01 volume 0.16164E-01 ppm1 2.597 ppm2 2.380 CV 1
ASSI { 815}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 46 and name HG2%)
6.000 5.000 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.946 ppm2 0.845 CV 1
ASSI { 816}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 78 and name HB% )
6.000 5.000 0.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.131 ppm2 1.241 CV 1
ASSI { 818}
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HN ))
3.700 2.200 2.200 peak 818 spectrum 1 weight 0.10000E+01 volume 0.90715E-03 ppm1 0.903 ppm2 8.273 CV 1
OR { 818}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 62 and name HN ))
ASSI { 823}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HN ))
2.900 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.42828E-02 ppm1 3.986 ppm2 8.288 CV 1
ASSI { 824}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HN ))
6.000 5.000 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.176 ppm2 8.249 CV 1
ASSI { 825}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB3 ))
3.000 1.600 1.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.32046E-02 ppm1 4.479 ppm2 2.590 CV 1
ASSI { 826}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB2 ))
2.700 1.400 1.400 peak 826 spectrum 1 weight 0.10000E+01 volume 0.65459E-02 ppm1 4.479 ppm2 2.672 CV 1
ASSI { 827}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.897 ppm2 8.257 CV 1
ASSI { 828}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.043 ppm2 8.257 CV 1
ASSI { 830}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 79 and name HN ))
6.000 5.000 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.727 ppm2 8.135 CV 1
ASSI { 832}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB ))
2.700 1.400 1.400 peak 832 spectrum 1 weight 0.10000E+01 volume 0.66334E-02 ppm1 4.402 ppm2 3.779 CV 1
ASSI { 835}
(( segid " " and resid 68 and name HB ))
( segid " " and resid 68 and name HG2%)
6.000 5.000 0.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.209 ppm2 1.059 CV 1
ASSI { 836}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 58 and name HG2%)
6.000 5.000 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.619 ppm2 0.684 CV 1
ASSI { 837}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB2 ))
2.600 1.400 1.400 peak 837 spectrum 1 weight 0.10000E+01 volume 0.78567E-02 ppm1 4.674 ppm2 2.739 CV 1
ASSI { 838}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB3 ))
2.900 1.500 1.500 peak 838 spectrum 1 weight 0.10000E+01 volume 0.43511E-02 ppm1 4.673 ppm2 2.630 CV 1
ASSI { 840}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HN ))
6.000 5.000 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.699 ppm2 8.051 CV 1
ASSI { 841}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.400 1.200 1.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.12745E-01 ppm1 4.167 ppm2 8.049 CV 1
ASSI { 843}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HN ))
6.000 5.000 0.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.420 ppm2 8.052 CV 1
ASSI { 844}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD1%)
6.000 5.000 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.419 ppm2 0.769 CV 1
ASSI { 845}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HD1%)
6.000 5.000 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.508 ppm2 0.763 CV 1
OR { 845}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD1%)
ASSI { 846}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD2%)
6.000 5.000 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.419 ppm2 0.701 CV 1
ASSI { 847}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD2%)
6.000 5.000 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.508 ppm2 0.700 CV 1
OR { 847}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HD2%)
ASSI { 848}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 34 and name HD2%)
6.000 5.000 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.772 ppm2 0.698 CV 1
ASSI { 849}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HN ))
3.400 2.000 2.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.15092E-02 ppm1 4.610 ppm2 8.102 CV 1
ASSI { 850}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.900 1.600 1.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.39326E-02 ppm1 4.620 ppm2 8.064 CV 1
ASSI { 851}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.000 1.600 1.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.36338E-02 ppm1 3.692 ppm2 8.064 CV 1
OR { 851}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 852}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB3 ))
6.000 5.000 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.177 ppm2 1.502 CV 1
OR { 852}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB2 ))
ASSI { 853}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HG ))
6.000 5.000 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.177 ppm2 1.426 CV 1
ASSI { 854}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HD2%)
6.000 5.000 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.177 ppm2 0.768 CV 1
OR { 854}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HD1%)
ASSI { 855}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB3 ))
3.300 1.900 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.18929E-02 ppm1 4.511 ppm2 2.281 CV 1
ASSI { 856}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HN ))
2.800 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.47738E-02 ppm1 0.789 ppm2 7.964 CV 1
ASSI { 857}
(( segid " " and resid 35 and name HG12))
(( segid " " and resid 35 and name HG13))
6.000 5.000 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.357 ppm2 1.015 CV 1
ASSI { 858}
(( segid " " and resid 35 and name HG12))
( segid " " and resid 35 and name HD1%)
6.000 5.000 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 0.697 CV 1
ASSI { 859}
(( segid " " and resid 35 and name HG13))
( segid " " and resid 35 and name HD1%)
6.000 5.000 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.015 ppm2 0.696 CV 1
ASSI { 860}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HG12))
2.800 1.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.46884E-02 ppm1 1.743 ppm2 1.355 CV 1
ASSI { 864}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 49 and name HG1%)
2.400 1.200 1.200 peak 864 spectrum 1 weight 0.10000E+01 volume 0.11975E-01 ppm1 3.840 ppm2 0.785 CV 1
OR { 864}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 49 and name HG2%)
ASSI { 865}
(( segid " " and resid 49 and name HB ))
( segid " " and resid 49 and name HG1%)
6.000 5.000 0.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.754 ppm2 0.785 CV 1
OR { 865}
(( segid " " and resid 49 and name HB ))
( segid " " and resid 49 and name HG2%)
ASSI { 867}
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 8 and name HA ))
2.500 1.300 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.98359E-02 ppm1 3.845 ppm2 3.670 CV 1
ASSI { 871}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB ))
6.000 5.000 0.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.046 ppm2 1.151 CV 1
OR { 871}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG13))
ASSI { 873}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HG2%)
6.000 5.000 0.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.046 ppm2 0.759 CV 1
ASSI { 874}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HN ))
2.400 1.200 1.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.13891E-01 ppm1 4.600 ppm2 7.052 CV 1
ASSI { 875}
(( segid " " and resid 69 and name HA2 ))
(( segid " " and resid 69 and name HN ))
2.600 1.400 1.400 peak 875 spectrum 1 weight 0.10000E+01 volume 0.72995E-02 ppm1 3.752 ppm2 8.446 CV 1
ASSI { 877}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG2 ))
6.000 5.000 0.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.277 ppm2 1.918 CV 1
ASSI { 878}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB3 ))
6.000 5.000 0.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.400 ppm2 1.907 CV 1
ASSI { 879}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 36 and name HB3 ))
6.000 5.000 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.770 ppm2 1.797 CV 1
ASSI { 881}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 36 and name HB2 ))
3.700 2.200 2.200 peak 881 spectrum 1 weight 0.10000E+01 volume 0.92807E-03 ppm1 3.770 ppm2 2.142 CV 1
ASSI { 883}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB2 ))
3.200 1.800 1.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.22310E-02 ppm1 3.400 ppm2 2.208 CV 1
ASSI { 884}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB3 ))
2.600 1.400 1.400 peak 884 spectrum 1 weight 0.10000E+01 volume 0.76795E-02 ppm1 4.408 ppm2 3.874 CV 1
ASSI { 885}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
6.000 5.000 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.280 ppm2 2.150 CV 1
ASSI { 886}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG3 ))
6.000 5.000 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.278 ppm2 1.871 CV 1
ASSI { 887}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HG2 ))
6.000 5.000 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.573 ppm2 1.916 CV 1
ASSI { 890}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HD2 ))
2.800 1.500 1.500 peak 890 spectrum 1 weight 0.10000E+01 volume 0.53886E-02 ppm1 4.283 ppm2 3.763 CV 1
ASSI { 891}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
6.000 5.000 0.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.284 ppm2 2.142 CV 1
ASSI { 892}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG2 ))
6.000 5.000 0.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.284 ppm2 1.898 CV 1
ASSI { 894}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
6.000 5.000 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.282 ppm2 1.797 CV 1
ASSI { 895}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 36 and name HG2 ))
6.000 5.000 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.771 ppm2 1.896 CV 1
OR { 895}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 36 and name HG3 ))
ASSI { 896}
(( segid " " and resid 36 and name HD3 ))
(( segid " " and resid 36 and name HB2 ))
3.400 1.900 1.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.15963E-02 ppm1 3.525 ppm2 2.142 CV 1
ASSI { 897}
(( segid " " and resid 36 and name HD3 ))
(( segid " " and resid 36 and name HG3 ))
6.000 5.000 0.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.524 ppm2 1.894 CV 1
ASSI { 899}
(( segid " " and resid 36 and name HD3 ))
(( segid " " and resid 36 and name HB3 ))
6.000 5.000 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.523 ppm2 1.797 CV 1
ASSI { 900}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
3.200 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.23997E-02 ppm1 3.257 ppm2 8.720 CV 1
ASSI { 914}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG3 ))
3.700 2.200 2.200 peak 914 spectrum 1 weight 0.10000E+01 volume 0.97354E-03 ppm1 5.112 ppm2 1.875 CV 1
ASSI { 915}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
2.900 1.600 1.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.39220E-02 ppm1 4.654 ppm2 8.335 CV 1
ASSI { 916}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HN ))
2.500 1.300 1.300 peak 916 spectrum 1 weight 0.10000E+01 volume 0.10724E-01 ppm1 3.768 ppm2 8.293 CV 1
OR { 916}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HN ))
ASSI { 917}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 66 and name HN ))
2.500 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.10645E-01 ppm1 1.050 ppm2 8.246 CV 1
ASSI { 918}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 66 and name HG2%)
6.000 5.000 0.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.176 ppm2 1.050 CV 1
ASSI { 920}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HB3 ))
3.100 1.700 1.700 peak 920 spectrum 1 weight 0.10000E+01 volume 0.27925E-02 ppm1 3.468 ppm2 1.517 CV 1
ASSI { 921}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HB3 ))
6.000 5.000 0.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.578 ppm2 1.517 CV 1
ASSI { 922}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HG2 ))
3.800 2.300 2.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.82538E-03 ppm1 3.468 ppm2 2.093 CV 1
ASSI { 927}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.100 1.700 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.26431E-02 ppm1 2.282 ppm2 8.584 CV 1
ASSI { 928}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.000 1.600 1.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.32579E-02 ppm1 3.083 ppm2 8.584 CV 1
ASSI { 929}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.100 1.700 1.700 peak 929 spectrum 1 weight 0.10000E+01 volume 0.27882E-02 ppm1 4.511 ppm2 8.586 CV 1
ASSI { 930}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HD3 ))
2.800 1.500 1.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.49233E-02 ppm1 4.698 ppm2 3.468 CV 1
ASSI { 931}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HD2 ))
2.900 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.38899E-02 ppm1 4.698 ppm2 3.578 CV 1
ASSI { 932}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.400 1.200 1.200 peak 932 spectrum 1 weight 0.10000E+01 volume 0.12099E-01 ppm1 5.110 ppm2 9.455 CV 1
ASSI { 933}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.900 1.600 1.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.40586E-02 ppm1 1.521 ppm2 9.454 CV 1
ASSI { 934}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.200 1.800 1.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.24232E-02 ppm1 1.848 ppm2 9.454 CV 1
ASSI { 935}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
2.800 1.400 1.400 peak 935 spectrum 1 weight 0.10000E+01 volume 0.57046E-02 ppm1 2.501 ppm2 9.058 CV 1
ASSI { 936}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
3.500 2.000 2.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 2.608 ppm2 9.057 CV 1
ASSI { 937}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.700 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.67871E-02 ppm1 4.552 ppm2 9.059 CV 1
ASSI { 938}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.400 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.14006E-01 ppm1 5.287 ppm2 9.842 CV 1
ASSI { 939}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.100 1.700 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.25577E-02 ppm1 2.955 ppm2 9.844 CV 1
ASSI { 940}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.500 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.11341E-01 ppm1 5.523 ppm2 8.860 CV 1
ASSI { 941}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
3.400 1.900 1.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.16992E-02 ppm1 2.621 ppm2 8.857 CV 1
ASSI { 942}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.300 1.800 1.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.20660E-02 ppm1 2.750 ppm2 8.857 CV 1
ASSI { 943}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 17 and name HD% )
2.400 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.11646E-01 ppm1 2.500 ppm2 6.655 CV 1
ASSI { 944}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 17 and name HD% )
2.500 1.300 1.300 peak 944 spectrum 1 weight 0.10000E+01 volume 0.97974E-02 ppm1 2.608 ppm2 6.655 CV 1
ASSI { 945}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 17 and name HE% )
3.200 1.800 1.800 peak 945 spectrum 1 weight 0.10000E+01 volume 0.22588E-02 ppm1 2.609 ppm2 6.454 CV 1
ASSI { 946}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 17 and name HE% )
3.100 1.700 1.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.27072E-02 ppm1 2.500 ppm2 6.454 CV 1
ASSI { 947}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.200 1.100 1.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.23079E-01 ppm1 4.509 ppm2 8.710 CV 1
ASSI { 948}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HN ))
2.800 1.500 1.500 peak 948 spectrum 1 weight 0.10000E+01 volume 0.54655E-02 ppm1 2.324 ppm2 8.710 CV 1
OR { 948}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 949}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
2.700 1.400 1.400 peak 949 spectrum 1 weight 0.10000E+01 volume 0.60740E-02 ppm1 2.054 ppm2 8.710 CV 1
ASSI { 950}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.100 1.700 1.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.26089E-02 ppm1 1.961 ppm2 8.710 CV 1
ASSI { 951}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.900 1.500 1.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.45347E-02 ppm1 3.728 ppm2 8.637 CV 1
OR { 951}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 952}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.300 1.100 1.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.18640E-01 ppm1 4.407 ppm2 8.637 CV 1
ASSI { 953}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.400 1.200 1.200 peak 953 spectrum 1 weight 0.10000E+01 volume 0.13734E-01 ppm1 4.568 ppm2 8.458 CV 1
ASSI { 954}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.700 1.400 1.400 peak 954 spectrum 1 weight 0.10000E+01 volume 0.60740E-02 ppm1 2.013 ppm2 8.456 CV 1
ASSI { 955}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.900 1.600 1.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.39711E-02 ppm1 2.172 ppm2 8.458 CV 1
ASSI { 956}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 23 and name HN ))
2.900 1.600 1.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.40906E-02 ppm1 2.753 ppm2 8.456 CV 1
ASSI { 960}
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 9 and name HN ))
2.800 1.500 1.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.52029E-02 ppm1 3.845 ppm2 8.565 CV 1
ASSI { 961}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.700 1.400 1.400 peak 961 spectrum 1 weight 0.10000E+01 volume 0.63323E-02 ppm1 3.673 ppm2 8.565 CV 1
ASSI { 962}
( segid " " and resid 8 and name HG2%)
(( segid " " and resid 9 and name HN ))
2.600 1.400 1.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.77308E-02 ppm1 1.124 ppm2 8.565 CV 1
ASSI { 963}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.900 1.600 1.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.40543E-02 ppm1 4.852 ppm2 8.515 CV 1
ASSI { 964}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.300 1.900 1.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.18738E-02 ppm1 2.978 ppm2 8.516 CV 1
ASSI { 965}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.400 1.900 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.16747E-02 ppm1 2.517 ppm2 8.515 CV 1
ASSI { 966}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.600 1.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.39368E-02 ppm1 4.348 ppm2 7.453 CV 1
ASSI { 967}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.800 2.300 2.200 peak 967 spectrum 1 weight 0.10000E+01 volume 0.85378E-03 ppm1 3.674 ppm2 7.449 CV 1
ASSI { 968}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
3.900 2.400 2.100 peak 968 spectrum 1 weight 0.10000E+01 volume 0.73144E-03 ppm1 3.788 ppm2 7.450 CV 1
ASSI { 969}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.400 1.200 1.200 peak 969 spectrum 1 weight 0.10000E+01 volume 0.13335E-01 ppm1 4.044 ppm2 8.662 CV 1
ASSI { 970}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 12 and name HN ))
6.000 5.000 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.150 ppm2 8.664 CV 1
ASSI { 971}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 12 and name HN ))
6.000 5.000 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.759 ppm2 8.666 CV 1
ASSI { 973}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HN ))
2.200 1.100 1.100 peak 973 spectrum 1 weight 0.10000E+01 volume 0.19159E-01 ppm1 4.944 ppm2 9.546 CV 1
ASSI { 976}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HN ))
2.800 1.500 1.500 peak 976 spectrum 1 weight 0.10000E+01 volume 0.48378E-02 ppm1 5.594 ppm2 8.271 CV 1
ASSI { 977}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 62 and name HN ))
3.800 2.300 2.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.84353E-03 ppm1 2.423 ppm2 8.274 CV 1
ASSI { 978}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.902 ppm2 8.277 CV 1
ASSI { 979}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HN ))
2.600 1.300 1.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.81236E-02 ppm1 3.965 ppm2 8.399 CV 1
ASSI { 982}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
2.500 1.300 1.300 peak 982 spectrum 1 weight 0.10000E+01 volume 0.97995E-02 ppm1 4.449 ppm2 8.354 CV 1
ASSI { 983}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 64 and name HN ))
3.000 1.600 1.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.33263E-02 ppm1 2.379 ppm2 8.354 CV 1
ASSI { 984}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 64 and name HN ))
6.000 5.000 0.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.597 ppm2 8.354 CV 1
ASSI { 985}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HN ))
2.400 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.12647E-01 ppm1 4.585 ppm2 7.890 CV 1
ASSI { 986}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 65 and name HN ))
3.100 1.700 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.27754E-02 ppm1 2.637 ppm2 7.890 CV 1
ASSI { 987}
(( segid " " and resid 64 and name HB3 ))
(( segid " " and resid 65 and name HN ))
3.200 1.800 1.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.23100E-02 ppm1 2.505 ppm2 7.891 CV 1
ASSI { 988}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 72 and name HD% )
2.500 1.300 1.300 peak 988 spectrum 1 weight 0.10000E+01 volume 0.94216E-02 ppm1 4.742 ppm2 6.986 CV 1
ASSI { 989}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 72 and name HE% )
3.900 2.400 2.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.72973E-03 ppm1 4.741 ppm2 7.079 CV 1
ASSI { 990}
(( segid " " and resid 72 and name HB3 ))
( segid " " and resid 72 and name HD% )
2.100 1.100 1.100 peak 990 spectrum 1 weight 0.10000E+01 volume 0.26816E-01 ppm1 2.855 ppm2 6.985 CV 1
OR { 990}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 72 and name HD% )
ASSI { 991}
(( segid " " and resid 72 and name HB3 ))
( segid " " and resid 72 and name HE% )
3.000 1.600 1.600 peak 991 spectrum 1 weight 0.10000E+01 volume 0.32729E-02 ppm1 2.853 ppm2 7.079 CV 1
OR { 991}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 72 and name HE% )
ASSI { 992}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HN ))
6.000 5.000 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.068 ppm2 8.248 CV 1
ASSI { 993}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 66 and name HN ))
2.700 1.400 1.400 peak 993 spectrum 1 weight 0.10000E+01 volume 0.60057E-02 ppm1 2.002 ppm2 8.248 CV 1
ASSI { 994}
( segid " " and resid 65 and name HG1%)
(( segid " " and resid 66 and name HN ))
2.100 1.100 1.100 peak 994 spectrum 1 weight 0.10000E+01 volume 0.25683E-01 ppm1 0.762 ppm2 8.246 CV 1
ASSI { 995}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HN ))
2.100 1.100 1.100 peak 995 spectrum 1 weight 0.10000E+01 volume 0.25748E-01 ppm1 4.176 ppm2 8.388 CV 1
ASSI { 996}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 67 and name HN ))
2.700 1.400 1.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.61552E-02 ppm1 4.061 ppm2 8.387 CV 1
ASSI { 997}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 67 and name HN ))
2.500 1.300 1.300 peak 997 spectrum 1 weight 0.10000E+01 volume 0.90886E-02 ppm1 1.051 ppm2 8.387 CV 1
ASSI { 998}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 68 and name HN ))
2.200 1.100 1.100 peak 998 spectrum 1 weight 0.10000E+01 volume 0.22097E-01 ppm1 4.690 ppm2 8.173 CV 1
ASSI { 999}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 68 and name HN ))
2.800 1.500 1.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.47353E-02 ppm1 2.747 ppm2 8.174 CV 1
ASSI { 1000}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 68 and name HN ))
3.000 1.700 1.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.31085E-02 ppm1 2.629 ppm2 8.174 CV 1
ASSI { 1001}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HN ))
2.200 1.100 1.100 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.20094E-01 ppm1 4.208 ppm2 8.445 CV 1
ASSI { 1002}
(( segid " " and resid 69 and name HA1 ))
(( segid " " and resid 70 and name HN ))
2.800 1.500 1.500 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.52819E-02 ppm1 3.920 ppm2 8.138 CV 1
ASSI { 1003}
(( segid " " and resid 69 and name HA2 ))
(( segid " " and resid 70 and name HN ))
6.000 5.000 0.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.753 ppm2 8.138 CV 1
ASSI { 1004}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HN ))
2.400 1.200 1.200 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.14744E-01 ppm1 4.675 ppm2 8.293 CV 1
ASSI { 1005}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 71 and name HN ))
3.000 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.31405E-02 ppm1 2.740 ppm2 8.291 CV 1
ASSI { 1006}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 71 and name HN ))
2.900 1.500 1.500 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.43404E-02 ppm1 2.631 ppm2 8.291 CV 1
ASSI { 1007}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HN ))
2.900 1.500 1.500 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.45240E-02 ppm1 4.246 ppm2 7.935 CV 1
ASSI { 1008}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 72 and name HN ))
2.800 1.500 1.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.47268E-02 ppm1 3.767 ppm2 7.935 CV 1
OR { 1008}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 72 and name HN ))
ASSI { 1009}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HN ))
2.700 1.400 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.64754E-02 ppm1 4.017 ppm2 8.617 CV 1
ASSI { 1014}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 45 and name HN ))
2.800 1.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.48955E-02 ppm1 3.418 ppm2 8.916 CV 1
ASSI { 1015}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
2.300 1.200 1.200 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.14811E-01 ppm1 5.517 ppm2 8.261 CV 1
ASSI { 1016}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
2.800 1.500 1.500 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.50556E-02 ppm1 4.787 ppm2 8.693 CV 1
ASSI { 1017}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 47 and name HN ))
2.600 1.400 1.400 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.75151E-02 ppm1 2.089 ppm2 8.694 CV 1
ASSI { 1018}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 47 and name HN ))
6.000 5.000 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.845 ppm2 8.694 CV 1
ASSI { 1019}
( segid " " and resid 46 and name HG1%)
(( segid " " and resid 47 and name HN ))
2.500 1.300 1.300 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.95177E-02 ppm1 0.946 ppm2 8.694 CV 1
ASSI { 1020}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HN ))
2.700 1.400 1.400 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.66611E-02 ppm1 3.284 ppm2 8.030 CV 1
ASSI { 1021}
(( segid " " and resid 47 and name HB ))
(( segid " " and resid 47 and name HN ))
2.600 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.86317E-02 ppm1 1.755 ppm2 8.694 CV 1
ASSI { 1022}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 47 and name HN ))
2.300 1.200 1.200 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.15397E-01 ppm1 0.664 ppm2 8.694 CV 1
ASSI { 1023}
( segid " " and resid 47 and name HG1%)
(( segid " " and resid 47 and name HN ))
6.000 5.000 0.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.846 ppm2 8.694 CV 1
ASSI { 1024}
(( segid " " and resid 47 and name HB ))
(( segid " " and resid 48 and name HN ))
3.000 1.700 1.700 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.31235E-02 ppm1 1.755 ppm2 8.029 CV 1
ASSI { 1025}
( segid " " and resid 47 and name HG1%)
(( segid " " and resid 48 and name HN ))
3.400 1.900 1.900 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 0.846 ppm2 8.029 CV 1
ASSI { 1026}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 48 and name HN ))
3.000 1.700 1.700 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.31363E-02 ppm1 0.664 ppm2 8.029 CV 1
ASSI { 1027}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 48 and name HA2 ))
2.300 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.16520E-01 ppm1 3.937 ppm2 2.655 CV 1
ASSI { 1028}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 49 and name HN ))
2.600 1.300 1.300 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.80083E-02 ppm1 3.937 ppm2 7.883 CV 1
ASSI { 1029}
(( segid " " and resid 48 and name HA2 ))
(( segid " " and resid 49 and name HN ))
3.000 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.35889E-02 ppm1 2.656 ppm2 7.881 CV 1
ASSI { 1030}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HN ))
2.800 1.500 1.500 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.56385E-02 ppm1 3.840 ppm2 8.720 CV 1
ASSI { 1031}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 50 and name HN ))
2.500 1.300 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.95946E-02 ppm1 0.783 ppm2 8.720 CV 1
OR { 1031}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 50 and name HN ))
ASSI { 1032}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 50 and name HN ))
3.200 1.800 1.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.22823E-02 ppm1 1.752 ppm2 8.715 CV 1
ASSI { 1033}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HN ))
2.500 1.300 1.300 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.97483E-02 ppm1 3.258 ppm2 9.009 CV 1
ASSI { 1034}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 51 and name HN ))
3.000 1.700 1.700 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.31598E-02 ppm1 1.643 ppm2 9.011 CV 1
ASSI { 1035}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.446 ppm2 9.009 CV 1
ASSI { 1036}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 51 and name HN ))
2.900 1.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.42828E-02 ppm1 0.717 ppm2 9.009 CV 1
ASSI { 1038}
(( segid " " and resid 51 and name HA1 ))
(( segid " " and resid 52 and name HN ))
2.900 1.600 1.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.39882E-02 ppm1 4.270 ppm2 8.109 CV 1
ASSI { 1039}
(( segid " " and resid 51 and name HA2 ))
(( segid " " and resid 52 and name HN ))
2.900 1.600 1.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.39305E-02 ppm1 3.457 ppm2 8.109 CV 1
ASSI { 1040}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HN ))
2.300 1.100 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.17707E-01 ppm1 4.410 ppm2 8.512 CV 1
ASSI { 1041}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 53 and name HN ))
2.400 1.200 1.200 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.11608E-01 ppm1 3.871 ppm2 8.511 CV 1
ASSI { 1042}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.200 1.100 1.100 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.22866E-01 ppm1 4.389 ppm2 8.258 CV 1
ASSI { 1043}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.724 ppm2 8.257 CV 1
OR { 1043}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
ASSI { 1046}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.200 1.100 1.100 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.22972E-01 ppm1 4.274 ppm2 8.470 CV 1
ASSI { 1047}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.100 1.700 1.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.28715E-02 ppm1 2.140 ppm2 8.470 CV 1
ASSI { 1048}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
2.800 1.500 1.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.54506E-02 ppm1 1.796 ppm2 8.471 CV 1
ASSI { 1049}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.800 1.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.48549E-02 ppm1 4.157 ppm2 8.319 CV 1
ASSI { 1050}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.100 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.27669E-01 ppm1 4.402 ppm2 8.869 CV 1
ASSI { 1051}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 3 and name HN ))
2.400 1.200 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.12678E-01 ppm1 1.054 ppm2 8.869 CV 1
ASSI { 1052}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 58 and name HN ))
2.500 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10775E-01 ppm1 3.612 ppm2 8.829 CV 1
OR { 1052}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 58 and name HN ))
ASSI { 1053}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
2.300 1.200 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.17056E-01 ppm1 4.654 ppm2 8.829 CV 1
ASSI { 1057}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
2.500 1.300 1.300 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.10008E-01 ppm1 4.731 ppm2 8.978 CV 1
ASSI { 1058}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 54 and name HN ))
3.000 1.600 1.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.32943E-02 ppm1 1.792 ppm2 8.978 CV 1
ASSI { 1059}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 54 and name HN ))
3.000 1.600 1.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.37554E-02 ppm1 1.615 ppm2 8.978 CV 1
ASSI { 1060}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 54 and name HN ))
3.200 1.800 1.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.22610E-02 ppm1 2.086 ppm2 8.980 CV 1
ASSI { 1062}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
2.400 1.200 1.200 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.12489E-01 ppm1 5.401 ppm2 9.458 CV 1
ASSI { 1063}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 61 and name HN ))
3.200 1.800 1.800 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 2.683 ppm2 9.458 CV 1
ASSI { 1064}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 61 and name HN ))
3.400 1.900 1.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.17331E-02 ppm1 2.802 ppm2 9.458 CV 1
ASSI { 1065}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HE21))
2.700 1.400 1.400 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.66013E-02 ppm1 2.326 ppm2 7.562 CV 1
OR { 1065}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HE21))
ASSI { 1066}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HE22))
2.700 1.400 1.400 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.69622E-02 ppm1 2.326 ppm2 6.818 CV 1
OR { 1066}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HE22))
ASSI { 1067}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
2.200 1.100 1.100 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.19554E-01 ppm1 3.763 ppm2 8.880 CV 1
ASSI { 1068}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 5 and name HN ))
3.200 1.800 1.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.21095E-02 ppm1 1.892 ppm2 8.878 CV 1
ASSI { 1070}
(( segid " " and resid 5 and name HA1 ))
(( segid " " and resid 6 and name HD3 ))
2.700 1.400 1.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.68213E-02 ppm1 4.564 ppm2 3.401 CV 1
ASSI { 1071}
(( segid " " and resid 5 and name HA1 ))
(( segid " " and resid 6 and name HD2 ))
2.600 1.400 1.400 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.78973E-02 ppm1 4.564 ppm2 3.605 CV 1
ASSI { 1072}
(( segid " " and resid 5 and name HA2 ))
(( segid " " and resid 6 and name HD2 ))
2.600 1.400 1.400 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.73635E-02 ppm1 3.879 ppm2 3.604 CV 1
ASSI { 1073}
(( segid " " and resid 5 and name HA2 ))
(( segid " " and resid 6 and name HD3 ))
2.600 1.300 1.300 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.82560E-02 ppm1 3.878 ppm2 3.400 CV 1
ASSI { 1074}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
3.100 1.700 1.700 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.29100E-02 ppm1 2.211 ppm2 8.616 CV 1
ASSI { 1075}
(( segid " " and resid 59 and name HE3 ))
( segid " " and resid 59 and name HZ% )
3.200 1.800 1.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.22247E-02 ppm1 2.546 ppm2 7.585 CV 1
ASSI { 1077}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.300 1.200 1.200 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.17541E-01 ppm1 4.282 ppm2 8.143 CV 1
ASSI { 1078}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.700 1.400 1.400 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.62833E-02 ppm1 2.148 ppm2 8.143 CV 1
ASSI { 1079}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 37 and name HN ))
3.400 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 1.794 ppm2 8.145 CV 1
ASSI { 1080}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.300 1.100 1.100 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.17852E-01 ppm1 3.881 ppm2 8.362 CV 1
ASSI { 1081}
(( segid " " and resid 37 and name HB ))
(( segid " " and resid 38 and name HN ))
3.100 1.700 1.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.27007E-02 ppm1 1.896 ppm2 8.362 CV 1
ASSI { 1082}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 38 and name HN ))
2.600 1.300 1.300 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.83563E-02 ppm1 0.777 ppm2 8.360 CV 1
OR { 1082}
( segid " " and resid 37 and name HG1%)
(( segid " " and resid 38 and name HN ))
ASSI { 1083}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.100 1.100 1.100 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.25983E-01 ppm1 4.278 ppm2 8.379 CV 1
ASSI { 1084}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.921 ppm2 8.379 CV 1
ASSI { 1085}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 30 and name HN ))
3.500 2.100 2.100 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 1.871 ppm2 8.379 CV 1
ASSI { 1086}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.800 1.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.52606E-02 ppm1 2.151 ppm2 8.379 CV 1
ASSI { 1087}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
3.100 1.700 1.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.28524E-02 ppm1 4.780 ppm2 7.567 CV 1
ASSI { 1088}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HD21))
2.800 1.500 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.56128E-02 ppm1 3.106 ppm2 7.443 CV 1
ASSI { 1089}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HD22))
3.200 1.800 1.800 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.23313E-02 ppm1 3.109 ppm2 7.017 CV 1
ASSI { 1090}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 79 and name HD22))
6.000 5.000 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.727 ppm2 7.017 CV 1
ASSI { 1091}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 79 and name HD21))
3.000 1.600 1.600 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.33605E-02 ppm1 2.726 ppm2 7.443 CV 1
ASSI { 1092}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 80 and name HN ))
2.800 1.500 1.500 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.52755E-02 ppm1 4.781 ppm2 7.619 CV 1
ASSI { 1093}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 81 and name HN ))
3.000 1.600 1.600 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 5.550 ppm2 8.547 CV 1
ASSI { 1094}
(( segid " " and resid 81 and name HB ))
(( segid " " and resid 81 and name HN ))
2.900 1.500 1.500 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.42999E-02 ppm1 1.947 ppm2 8.547 CV 1
ASSI { 1095}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 82 and name HN ))
2.400 1.200 1.200 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.13511E-01 ppm1 0.727 ppm2 8.289 CV 1
ASSI { 1096}
(( segid " " and resid 27 and name HA1 ))
(( segid " " and resid 28 and name HN ))
6.000 5.000 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.811 ppm2 8.064 CV 1
OR { 1096}
(( segid " " and resid 27 and name HA2 ))
(( segid " " and resid 28 and name HN ))
ASSI { 1097}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
2.300 1.200 1.200 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.17541E-01 ppm1 4.245 ppm2 8.626 CV 1
ASSI { 1098}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.200 1.800 1.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.21926E-02 ppm1 2.835 ppm2 7.913 CV 1
ASSI { 1100}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
2.900 1.600 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.37938E-02 ppm1 1.515 ppm2 7.915 CV 1
ASSI { 1101}
( segid " " and resid 56 and name HB% )
(( segid " " and resid 57 and name HN ))
2.100 1.100 1.100 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.27606E-01 ppm1 1.276 ppm2 8.335 CV 1
ASSI { 1102}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 57 and name HN ))
2.800 1.500 1.500 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.54143E-02 ppm1 4.600 ppm2 8.335 CV 1
ASSI { 1103}
(( segid " " and resid 35 and name HG12))
(( segid " " and resid 35 and name HN ))
2.900 1.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.42294E-02 ppm1 1.358 ppm2 7.964 CV 1
ASSI { 1109}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HN ))
2.700 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.64135E-02 ppm1 4.747 ppm2 8.748 CV 1
ASSI { 1110}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 73 and name HN ))
2.900 1.600 1.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.39882E-02 ppm1 2.853 ppm2 8.747 CV 1
ASSI { 1112}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
2.500 1.300 1.300 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.11437E-01 ppm1 4.245 ppm2 8.086 CV 1
ASSI { 1113}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
3.100 1.700 1.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.26388E-02 ppm1 4.621 ppm2 8.086 CV 1
ASSI { 1114}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 56 and name HN ))
2.800 1.500 1.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.52264E-02 ppm1 4.128 ppm2 7.052 CV 1
ASSI { 1115}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 56 and name HN ))
2.800 1.500 1.500 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.49873E-02 ppm1 3.649 ppm2 7.052 CV 1
ASSI { 1116}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.293 ppm2 8.103 CV 1
ASSI { 1119}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.400 1.200 1.200 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.11608E-01 ppm1 4.169 ppm2 7.964 CV 1
ASSI { 1120}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.100 1.700 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.25598E-02 ppm1 1.508 ppm2 7.963 CV 1
OR { 1120}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
ASSI { 1121}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 35 and name HN ))
2.900 1.500 1.500 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.45902E-02 ppm1 1.420 ppm2 7.963 CV 1
ASSI { 1122}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 31 and name HN ))
2.400 1.200 1.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.11909E-01 ppm1 3.789 ppm2 7.914 CV 1
OR { 1122}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 31 and name HN ))
ASSI { 1123}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.175 ppm2 8.238 CV 1
ASSI { 1124}
(( segid " " and resid 32 and name HG ))
(( segid " " and resid 33 and name HN ))
3.000 1.700 1.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.31832E-02 ppm1 1.425 ppm2 8.237 CV 1
ASSI { 1125}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.600 1.300 1.300 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.82580E-02 ppm1 1.502 ppm2 8.237 CV 1
OR { 1125}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
ASSI { 1126}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.500 1.300 1.300 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.95668E-02 ppm1 4.479 ppm2 8.049 CV 1
ASSI { 1127}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HN ))
3.700 2.200 2.200 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.10321E-02 ppm1 2.591 ppm2 8.049 CV 1
ASSI { 1128}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.700 2.200 2.200 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.96779E-03 ppm1 2.672 ppm2 8.049 CV 1
ASSI { 1129}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HE21))
3.600 2.100 2.100 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.11304E-02 ppm1 2.094 ppm2 7.381 CV 1
ASSI { 1130}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HE21))
3.700 2.200 2.200 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.94109E-03 ppm1 2.164 ppm2 7.381 CV 1
ASSI { 1131}
(( segid " " and resid 53 and name HE21))
(( segid " " and resid 53 and name HE22))
1.900 1.000 1.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.51240E-01 ppm1 7.386 ppm2 6.742 CV 1
ASSI { 1132}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HE22))
3.800 2.300 2.200 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.87619E-03 ppm1 2.164 ppm2 6.742 CV 1
ASSI { 1133}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 54 and name HN ))
3.300 1.800 1.800 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.20432E-02 ppm1 2.164 ppm2 8.978 CV 1
ASSI { 1134}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 5.000 0.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.400 ppm2 1.866 CV 1
ASSI { 1135}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG3 ))
6.000 5.000 0.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.400 ppm2 1.818 CV 1
ASSI { 1136}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.300 1.800 1.800 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.19797E-02 ppm1 2.788 ppm2 7.913 CV 1
ASSI { 1137}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HB3 ))
6.000 5.000 0.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.054 ppm2 1.961 CV 1
ASSI { 1140}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HD1%)
6.000 5.000 0.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.299 ppm2 0.698 CV 1
ASSI { 1145}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
6.000 5.000 0.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.516 ppm2 2.732 CV 1
ASSI { 1146}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 50 and name HG13))
3.100 1.700 1.700 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.28822E-02 ppm1 1.652 ppm2 0.902 CV 1
ASSI { 1147}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 50 and name HG13))
3.200 1.800 1.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.21777E-02 ppm1 1.440 ppm2 0.902 CV 1
ASSI { 1149}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 50 and name HN ))
2.700 1.400 1.400 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.68105E-02 ppm1 1.642 ppm2 8.720 CV 1
ASSI { 1150}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 50 and name HN ))
6.000 5.000 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.444 ppm2 8.720 CV 1
ASSI { 1151}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 50 and name HN ))
2.700 1.400 1.400 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.62768E-02 ppm1 0.716 ppm2 8.720 CV 1
ASSI { 1152}
(( segid " " and resid 50 and name HG13))
(( segid " " and resid 50 and name HN ))
3.000 1.600 1.600 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.35291E-02 ppm1 0.914 ppm2 8.720 CV 1
ASSI { 1153}
(( segid " " and resid 50 and name HG13))
(( segid " " and resid 51 and name HN ))
3.100 1.700 1.700 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.29377E-02 ppm1 0.914 ppm2 9.011 CV 1
ASSI { 1154}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB ))
2.600 1.300 1.300 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.89306E-02 ppm1 4.619 ppm2 1.886 CV 1
ASSI { 1155}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 58 and name HG1%)
2.700 1.400 1.400 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.71650E-02 ppm1 4.619 ppm2 0.739 CV 1
ASSI { 1156}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HN ))
2.500 1.300 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.94387E-02 ppm1 4.773 ppm2 9.053 CV 1
ASSI { 1161}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 82 and name HN ))
2.800 1.500 1.500 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.47482E-02 ppm1 0.593 ppm2 8.289 CV 1
ASSI { 1162}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 82 and name HN ))
2.200 1.100 1.100 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.23250E-01 ppm1 4.023 ppm2 8.289 CV 1
ASSI { 1163}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 79 and name HN ))
2.600 1.400 1.400 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.72290E-02 ppm1 1.244 ppm2 8.136 CV 1
ASSI { 1164}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 79 and name HN ))
2.800 1.500 1.500 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.55445E-02 ppm1 4.133 ppm2 8.136 CV 1
ASSI { 1165}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.600 1.300 1.300 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.88004E-02 ppm1 4.503 ppm2 8.305 CV 1
ASSI { 1166}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
6.000 5.000 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.568 ppm2 8.305 CV 1
ASSI { 1167}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.200 1.800 1.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 2.680 ppm2 8.305 CV 1
ASSI { 1168}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HN ))
2.800 1.500 1.500 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.47439E-02 ppm1 4.619 ppm2 9.014 CV 1
ASSI { 1169}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 59 and name HN ))
3.100 1.700 1.700 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.27648E-02 ppm1 1.885 ppm2 9.015 CV 1
ASSI { 1170}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 59 and name HN ))
2.800 1.500 1.500 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.47952E-02 ppm1 0.684 ppm2 9.015 CV 1
ASSI { 1171}
( segid " " and resid 58 and name HG1%)
(( segid " " and resid 59 and name HN ))
2.800 1.500 1.500 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.50598E-02 ppm1 0.738 ppm2 9.015 CV 1
ASSI { 1174}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HE3 ))
6.000 5.000 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.769 ppm2 2.546 CV 1
ASSI { 1183}
(( segid " " and resid 59 and name HE2 ))
( segid " " and resid 59 and name HZ% )
2.700 1.400 1.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.60569E-02 ppm1 2.771 ppm2 7.585 CV 1
ASSI { 1185}
(( segid " " and resid 80 and name HB3 ))
(( segid " " and resid 81 and name HN ))
3.500 2.000 2.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.13307E-02 ppm1 2.768 ppm2 8.547 CV 1
ASSI { 1186}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 81 and name HN ))
3.000 1.600 1.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.35462E-02 ppm1 2.872 ppm2 8.547 CV 1
ASSI { 1187}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 2 and name HN ))
2.200 1.100 1.100 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.21194E-01 ppm1 1.269 ppm2 8.180 CV 1
ASSI { 1189}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 46 and name HN ))
3.100 1.700 1.700 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.26452E-02 ppm1 2.506 ppm2 8.262 CV 1
ASSI { 1190}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 46 and name HN ))
2.900 1.500 1.500 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.44557E-02 ppm1 2.731 ppm2 8.262 CV 1
ASSI { 1194}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 69 and name HN ))
2.800 1.500 1.500 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.54229E-02 ppm1 1.059 ppm2 8.445 CV 1
ASSI { 1197}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HB3 ))
6.000 5.000 0.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.462 ppm2 1.796 CV 1
OR { 1197}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 1198}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
6.000 5.000 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 1.796 CV 1
ASSI { 1199}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HD3 ))
6.000 5.000 0.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.695 ppm2 3.574 CV 1
ASSI { 1200}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD2 ))
6.000 5.000 0.000 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.273 ppm2 3.464 CV 1
OR { 1200}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD3 ))
ASSI { 1201}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HB3 ))
6.000 5.000 0.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.697 ppm2 1.811 CV 1
ASSI { 1202}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HB3 ))
6.000 5.000 0.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.573 ppm2 1.810 CV 1
ASSI { 1203}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB3 ))
6.000 5.000 0.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.278 ppm2 1.811 CV 1
ASSI { 1206}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB ))
6.000 5.000 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.554 ppm2 3.783 CV 1
ASSI { 1209}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 19 and name HN ))
2.800 1.500 1.500 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.49211E-02 ppm1 4.614 ppm2 9.843 CV 1
ASSI { 1210}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.200 1.800 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.24467E-02 ppm1 3.612 ppm2 9.843 CV 1
OR { 1210}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 19 and name HN ))
ASSI { 1212}
( segid " " and resid 56 and name HB% )
(( segid " " and resid 19 and name HN ))
3.100 1.700 1.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.26730E-02 ppm1 1.279 ppm2 9.842 CV 1
ASSI { 1213}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 19 and name HN ))
3.600 2.100 2.100 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.11937E-02 ppm1 1.119 ppm2 9.842 CV 1
OR { 1213}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 1215}
( segid " " and resid 58 and name HG1%)
(( segid " " and resid 19 and name HN ))
3.800 2.300 2.200 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.79250E-03 ppm1 0.735 ppm2 9.841 CV 1
ASSI { 1224}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 55 and name HN ))
3.200 1.800 1.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.22588E-02 ppm1 2.462 ppm2 9.546 CV 1
ASSI { 1225}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 55 and name HN ))
3.000 1.700 1.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.31000E-02 ppm1 2.889 ppm2 9.546 CV 1
ASSI { 1229}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 17 and name HN ))
3.500 2.100 2.100 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.12857E-02 ppm1 4.610 ppm2 9.452 CV 1
ASSI { 1234}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 59 and name HN ))
3.400 2.000 2.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.15654E-02 ppm1 5.110 ppm2 9.016 CV 1
ASSI { 1236}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 59 and name HN ))
3.700 2.200 2.200 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.10092E-02 ppm1 5.292 ppm2 9.016 CV 1
ASSI { 1238}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 15 and name HN ))
3.600 2.100 2.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.10959E-02 ppm1 5.398 ppm2 8.588 CV 1
ASSI { 1279}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 72 and name HE% )
3.100 1.700 1.700 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.25770E-02 ppm1 0.950 ppm2 7.078 CV 1
ASSI { 1282}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 72 and name HD% )
2.800 1.500 1.500 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.53524E-02 ppm1 0.946 ppm2 6.986 CV 1
ASSI { 1283}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 72 and name HD% )
3.200 1.800 1.800 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.22823E-02 ppm1 0.846 ppm2 6.986 CV 1
ASSI { 1327}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HE22))
6.000 5.000 0.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.957 ppm2 6.819 CV 1
ASSI { 1331}
(( segid " " and resid 61 and name HB3 ))
( segid " " and resid 17 and name HE% )
2.700 1.400 1.400 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.58883E-02 ppm1 2.425 ppm2 6.455 CV 1
ASSI { 1334}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 17 and name HE% )
2.600 1.400 1.400 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.74745E-02 ppm1 2.900 ppm2 6.455 CV 1
ASSI { 1335}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 17 and name HE% )
2.900 1.500 1.500 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.42999E-02 ppm1 3.282 ppm2 6.455 CV 1
ASSI { 1336}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 17 and name HD% )
2.600 1.400 1.400 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.72483E-02 ppm1 3.285 ppm2 6.656 CV 1
ASSI { 1345}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 17 and name HD% )
3.000 1.600 1.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.35205E-02 ppm1 2.903 ppm2 6.654 CV 1
ASSI { 1352}
(( segid " " and resid 60 and name HB2 ))
( segid " " and resid 14 and name HD% )
2.900 1.500 1.500 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.43425E-02 ppm1 2.802 ppm2 6.814 CV 1
ASSI { 1354}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 17 and name HE% )
3.500 2.000 2.000 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.14533E-02 ppm1 5.603 ppm2 6.455 CV 1
ASSI { 1356}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 17 and name HE% )
3.300 1.900 1.900 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.19157E-02 ppm1 5.401 ppm2 6.454 CV 1
ASSI { 1357}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 17 and name HE% )
3.500 2.000 2.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.13794E-02 ppm1 5.111 ppm2 6.456 CV 1
ASSI { 1360}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HE% )
4.400 2.900 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.35142E-03 ppm1 4.550 ppm2 6.453 CV 1
ASSI { 1363}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HE% )
3.400 1.900 1.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.16489E-02 ppm1 4.511 ppm2 6.597 CV 1
ASSI { 1366}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 14 and name HE% )
2.800 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.52093E-02 ppm1 5.551 ppm2 6.596 CV 1
ASSI { 1367}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 14 and name HE% )
3.100 1.700 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.26858E-02 ppm1 5.603 ppm2 6.597 CV 1
ASSI { 1369}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 17 and name HD% )
2.900 1.500 1.500 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.43511E-02 ppm1 5.401 ppm2 6.653 CV 1
ASSI { 1370}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 17 and name HD% )
3.000 1.600 1.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.33050E-02 ppm1 5.112 ppm2 6.654 CV 1
ASSI { 1373}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HD% )
2.600 1.400 1.400 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.77265E-02 ppm1 4.549 ppm2 6.654 CV 1
ASSI { 1374}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HD% )
2.600 1.300 1.300 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.87107E-02 ppm1 4.511 ppm2 6.813 CV 1
ASSI { 1377}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 14 and name HD% )
3.600 2.200 2.200 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 3.965 ppm2 6.814 CV 1
ASSI { 1381}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 14 and name HD% )
3.000 1.600 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.32793E-02 ppm1 5.553 ppm2 6.813 CV 1
ASSI { 1382}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 14 and name HD% )
2.900 1.600 1.600 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.38515E-02 ppm1 5.603 ppm2 6.813 CV 1
ASSI { 1383}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 14 and name HD% )
3.500 2.000 2.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.13474E-02 ppm1 5.401 ppm2 6.813 CV 1
ASSI { 1385}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 56 and name HN ))
2.900 1.500 1.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.42209E-02 ppm1 4.942 ppm2 7.052 CV 1
ASSI { 1386}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 72 and name HE% )
4.100 2.600 1.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.52968E-03 ppm1 4.420 ppm2 7.081 CV 1
OR { 1386}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 72 and name HZ ))
ASSI { 1389}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 72 and name HD% )
3.700 2.200 2.200 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.99409E-03 ppm1 4.419 ppm2 6.985 CV 1
ASSI { 1408}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 57 and name HN ))
3.200 1.800 1.800 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.22994E-02 ppm1 9.855 ppm2 8.335 CV 1
ASSI { 1410}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HN ))
3.500 2.000 2.000 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.13971E-02 ppm1 9.547 ppm2 8.979 CV 1
ASSI { 1411}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 59 and name HN ))
3.200 1.800 1.800 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.24552E-02 ppm1 9.468 ppm2 9.018 CV 1
ASSI { 1416}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HN ))
3.700 2.200 2.200 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 8.979 ppm2 8.512 CV 1
ASSI { 1456}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HN ))
2.500 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.97461E-02 ppm1 9.549 ppm2 7.055 CV 1
ASSI { 1457}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 14 and name HD% )
3.100 1.700 1.700 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.25940E-02 ppm1 9.463 ppm2 6.812 CV 1
ASSI { 1459}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 72 and name HD% )
3.400 1.900 1.900 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.16783E-02 ppm1 8.916 ppm2 6.983 CV 1
ASSI { 1462}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 72 and name HE% )
3.600 2.200 2.200 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.10602E-02 ppm1 8.923 ppm2 7.075 CV 1
ASSI { 1464}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HN ))
3.400 1.900 1.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 8.336 ppm2 7.056 CV 1
ASSI { 1471}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HD% )
2.400 1.200 1.200 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.12176E-01 ppm1 9.465 ppm2 6.656 CV 1
ASSI { 1472}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HE% )
3.500 2.100 2.100 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.12598E-02 ppm1 9.462 ppm2 6.450 CV 1
ASSI { 1475}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.458 ppm2 6.596 CV 1
ASSI { 1496}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 17 and name HD% )
3.500 2.000 2.000 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.14304E-02 ppm1 8.026 ppm2 6.654 CV 1
ASSI { 1497}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HE% )
4.100 2.600 1.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.54911E-03 ppm1 7.917 ppm2 6.597 CV 1
ASSI { 1498}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HD% )
2.500 1.300 1.300 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.93938E-02 ppm1 7.917 ppm2 6.812 CV 1
ASSI { 1499}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.025 ppm2 6.453 CV 1
ASSI { 1502}
( segid " " and resid 17 and name HD% )
( segid " " and resid 17 and name HE% )
2.100 1.000 1.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.32857E-01 ppm1 6.657 ppm2 6.455 CV 1
ASSI { 1503}
( segid " " and resid 14 and name HD% )
( segid " " and resid 14 and name HE% )
2.100 1.100 1.100 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.25470E-01 ppm1 6.813 ppm2 6.597 CV 1
ASSI { 1512}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HD% )
2.700 1.400 1.400 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.57559E-02 ppm1 7.941 ppm2 6.985 CV 1
ASSI { 1514}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HE% )
3.500 2.000 2.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.13529E-02 ppm1 7.940 ppm2 7.079 CV 1
ASSI { 1515}
(( segid " " and resid 79 and name HD21))
(( segid " " and resid 79 and name HD22))
2.400 1.200 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.14399E-01 ppm1 7.444 ppm2 7.017 CV 1
ASSI { 1516}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HD2 ))
2.200 1.100 1.100 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.20144E-01 ppm1 4.043 ppm2 3.463 CV 1
OR { 1516}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HD3 ))
ASSI { 1517}
(( segid " " and resid 24 and name HA2 ))
(( segid " " and resid 25 and name HD2 ))
2.300 1.100 1.100 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.18718E-01 ppm1 3.903 ppm2 3.463 CV 1
ASSI { 1537}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 59 and name HG2 ))
4.000 2.500 2.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.58199E-03 ppm1 5.113 ppm2 1.125 CV 1
OR { 1537}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 1585}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 81 and name HG2%)
3.500 2.000 2.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.14160E-02 ppm1 5.599 ppm2 0.593 CV 1
ASSI { 1588}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 81 and name HG2%)
3.500 2.000 2.000 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 5.398 ppm2 0.592 CV 1
ASSI { 1639}
(( segid " " and resid 60 and name HB2 ))
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.805 ppm2 0.591 CV 1
ASSI { 1668}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HB3 ))
2.800 1.500 1.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.53054E-02 ppm1 2.088 ppm2 1.611 CV 1
ASSI { 1669}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HB3 ))
2.900 1.500 1.500 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.42700E-02 ppm1 2.165 ppm2 1.611 CV 1
ASSI { 1706}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 18 and name HN ))
3.600 2.100 2.100 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 3.279 ppm2 9.058 CV 1
ASSI { 1710}
(( segid " " and resid 61 and name HB3 ))
( segid " " and resid 17 and name HD% )
3.100 1.700 1.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.30124E-02 ppm1 2.425 ppm2 6.654 CV 1
ASSI { 1725}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 14 and name HE% )
3.900 2.400 2.100 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.66249E-03 ppm1 3.965 ppm2 6.598 CV 1
ASSI { 1729}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 72 and name HD% )
3.700 2.300 2.300 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.89946E-03 ppm1 2.087 ppm2 6.986 CV 1
ASSI { 1745}
(( segid " " and resid 44 and name HA2 ))
( segid " " and resid 72 and name HD% )
3.700 2.300 2.300 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.90480E-03 ppm1 3.418 ppm2 6.984 CV 1
ASSI { 1746}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HD% )
2.600 1.300 1.300 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.84182E-02 ppm1 2.284 ppm2 6.813 CV 1
ASSI { 1747}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 14 and name HE% )
3.200 1.800 1.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.23271E-02 ppm1 2.282 ppm2 6.597 CV 1
ASSI { 1748}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HD% )
2.600 1.300 1.300 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.88857E-02 ppm1 3.084 ppm2 6.812 CV 1
ASSI { 1749}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 14 and name HE% )
3.200 1.800 1.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.21735E-02 ppm1 3.086 ppm2 6.597 CV 1
ASSI { 1750}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 80 and name HN ))
3.400 1.900 1.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.16567E-02 ppm1 3.109 ppm2 7.620 CV 1
ASSI { 1751}
( segid " " and resid 72 and name HE% )
( segid " " and resid 72 and name HD% )
6.000 5.000 0.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.079 ppm2 6.986 CV 1
ASSI { 1756}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 17 and name HN ))
6.000 5.000 0.000 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.886 ppm2 9.452 CV 1
ASSI { 1768}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.946 ppm2 6.457 CV 1
ASSI { 1769}
( segid " " and resid 46 and name HG1%)
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.947 ppm2 6.653 CV 1
ASSI { 1772}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HB3 ))
6.000 5.000 0.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.887 ppm2 2.457 CV 1
ASSI { 1773}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB3 ))
6.000 5.000 0.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.952 ppm2 2.652 CV 1
ASSI { 1774}
(( segid " " and resid 20 and name HE21))
(( segid " " and resid 20 and name HE22))
6.000 5.000 0.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.562 ppm2 6.819 CV 1
ASSI { 1784}
(( segid " " and resid 75 and name HB ))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.301 ppm2 8.718 CV 1
ASSI { 1792}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.295 ppm2 6.457 CV 1
ASSI { 1793}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.295 ppm2 6.655 CV 1
ASSI { 1794}
(( segid " " and resid 47 and name HB ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.756 ppm2 6.655 CV 1
ASSI { 1795}
(( segid " " and resid 47 and name HB ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.756 ppm2 6.456 CV 1
ASSI { 1796}
( segid " " and resid 47 and name HG2%)
( segid " " and resid 17 and name HE% )
2.300 1.100 1.100 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.18873E-01 ppm1 0.674 ppm2 6.455 CV 1
ASSI { 1797}
( segid " " and resid 47 and name HG2%)
( segid " " and resid 17 and name HD% )
2.500 1.300 1.300 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.10496E-01 ppm1 0.672 ppm2 6.653 CV 1
ASSI { 1798}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 72 and name HD% )
3.900 2.400 2.100 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.74382E-03 ppm1 2.504 ppm2 6.986 CV 1
ASSI { 1800}
( segid " " and resid 11 and name HD1%)
(( segid " " and resid 11 and name HN ))
3.300 1.800 1.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.20442E-02 ppm1 0.351 ppm2 7.453 CV 1
ASSI { 1801}
( segid " " and resid 11 and name HD1%)
(( segid " " and resid 12 and name HN ))
6.000 5.000 0.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.351 ppm2 8.666 CV 1
ASSI { 1802}
( segid " " and resid 11 and name HD1%)
( segid " " and resid 14 and name HE% )
3.400 2.000 2.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.14838E-02 ppm1 0.351 ppm2 6.597 CV 1
ASSI { 1803}
( segid " " and resid 11 and name HG2%)
( segid " " and resid 14 and name HE% )
2.700 1.400 1.400 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.62448E-02 ppm1 0.757 ppm2 6.599 CV 1
OR { 1803}
(( segid " " and resid 11 and name HG12))
( segid " " and resid 14 and name HE% )
ASSI { 1804}
(( segid " " and resid 11 and name HB ))
( segid " " and resid 14 and name HE% )
3.300 1.900 1.900 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.19198E-02 ppm1 1.150 ppm2 6.600 CV 1
ASSI { 1805}
(( segid " " and resid 11 and name HG12))
( segid " " and resid 14 and name HD% )
2.300 1.200 1.200 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.15180E-01 ppm1 0.759 ppm2 6.815 CV 1
OR { 1805}
( segid " " and resid 11 and name HG2%)
( segid " " and resid 14 and name HD% )
ASSI { 1806}
( segid " " and resid 11 and name HD1%)
( segid " " and resid 14 and name HD% )
3.000 1.600 1.600 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.33135E-02 ppm1 0.351 ppm2 6.812 CV 1
ASSI { 1807}
(( segid " " and resid 11 and name HG12))
( segid " " and resid 11 and name HD1%)
3.200 1.700 1.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.25065E-02 ppm1 0.749 ppm2 0.352 CV 1
OR { 1807}
( segid " " and resid 11 and name HG2%)
( segid " " and resid 11 and name HD1%)
ASSI { 1808}
(( segid " " and resid 11 and name HG13))
( segid " " and resid 11 and name HD1%)
2.400 1.200 1.200 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.12571E-01 ppm1 1.150 ppm2 0.352 CV 1
OR { 1808}
(( segid " " and resid 11 and name HB ))
( segid " " and resid 11 and name HD1%)
ASSI { 1809}
( segid " " and resid 81 and name HG2%)
( segid " " and resid 14 and name HD% )
2.700 1.400 1.400 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.70817E-02 ppm1 0.590 ppm2 6.815 CV 1
ASSI { 1810}
( segid " " and resid 81 and name HG2%)
( segid " " and resid 14 and name HE% )
2.500 1.300 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.10056E-01 ppm1 0.590 ppm2 6.597 CV 1
ASSI { 1811}
( segid " " and resid 81 and name HG2%)
( segid " " and resid 11 and name HD1%)
2.900 1.500 1.500 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.41953E-02 ppm1 0.588 ppm2 0.352 CV 1
ASSI { 1813}
(( segid " " and resid 81 and name HB ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.953 ppm2 6.598 CV 1
ASSI { 1817}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 72 and name HE% )
3.100 1.700 1.700 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.25961E-02 ppm1 2.506 ppm2 7.071 CV 1
OR { 1817}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 72 and name HZ ))
ASSI { 1818}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.868 ppm2 8.635 CV 1
ASSI { 1819}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.783 ppm2 8.637 CV 1
ASSI { 1820}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.556 ppm2 8.637 CV 1
ASSI { 1821}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.271 ppm2 8.633 CV 1
ASSI { 1822}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.958 ppm2 8.633 CV 1
ASSI { 1823}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.551 ppm2 8.633 CV 1
ASSI { 1824}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.532 ppm2 8.633 CV 1
ASSI { 1825}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 5 and name HN ))
6.000 5.000 0.000 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.271 ppm2 8.881 CV 1
ASSI { 1826}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 5 and name HN ))
6.000 5.000 0.000 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.958 ppm2 8.881 CV 1
ASSI { 1827}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HN ))
6.000 5.000 0.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.553 ppm2 8.881 CV 1
ASSI { 1828}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 5 and name HN ))
6.000 5.000 0.000 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.532 ppm2 8.881 CV 1
ASSI { 1829}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HG13))
6.000 5.000 0.000 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.892 ppm2 1.269 CV 1
ASSI { 1830}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HG12))
6.000 5.000 0.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 0.957 CV 1
ASSI { 1831}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.892 ppm2 0.554 CV 1
ASSI { 1832}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.892 ppm2 0.528 CV 1
ASSI { 1833}
(( segid " " and resid 4 and name HG13))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.269 ppm2 0.531 CV 1
ASSI { 1834}
(( segid " " and resid 4 and name HG13))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.271 ppm2 0.552 CV 1
ASSI { 1835}
(( segid " " and resid 4 and name HG12))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.953 ppm2 0.554 CV 1
ASSI { 1836}
(( segid " " and resid 4 and name HG12))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 0.528 CV 1
ASSI { 1837}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.763 ppm2 0.530 CV 1
ASSI { 1838}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.763 ppm2 0.553 CV 1
ASSI { 1839}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HG12))
3.000 1.700 1.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.31149E-02 ppm1 3.764 ppm2 0.955 CV 1
ASSI { 1840}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HG13))
6.000 5.000 0.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.763 ppm2 1.269 CV 1
ASSI { 1841}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
6.000 5.000 0.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.876 ppm2 8.182 CV 1
ASSI { 1843}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB3 ))
6.000 5.000 0.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.607 ppm2 1.906 CV 1
ASSI { 1844}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG2 ))
6.000 5.000 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.607 ppm2 1.868 CV 1
ASSI { 1845}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG3 ))
6.000 5.000 0.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.607 ppm2 1.819 CV 1
ASSI { 1846}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
6.000 5.000 0.000 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.194 ppm2 8.615 CV 1
ASSI { 1847}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 7 and name HN ))
6.000 5.000 0.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.603 ppm2 8.614 CV 1
ASSI { 1848}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 7 and name HN ))
6.000 5.000 0.000 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.398 ppm2 8.615 CV 1
ASSI { 1849}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
6.000 5.000 0.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.908 ppm2 8.616 CV 1
ASSI { 1850}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HN ))
6.000 5.000 0.000 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.867 ppm2 8.615 CV 1
ASSI { 1851}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 7 and name HN ))
6.000 5.000 0.000 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.821 ppm2 8.615 CV 1
ASSI { 1852}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG3 ))
6.000 5.000 0.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.209 ppm2 1.819 CV 1
ASSI { 1853}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG2 ))
6.000 5.000 0.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.209 ppm2 1.867 CV 1
ASSI { 1854}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HB3 ))
6.000 5.000 0.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.209 ppm2 1.906 CV 1
ASSI { 1855}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HG3 ))
6.000 5.000 0.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.910 ppm2 1.819 CV 1
ASSI { 1856}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.801 ppm2 7.568 CV 1
ASSI { 1857}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.494 ppm2 7.567 CV 1
ASSI { 1858}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB3 ))
6.000 5.000 0.000 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.801 ppm2 2.496 CV 1
ASSI { 1859}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HD21))
6.000 5.000 0.000 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.494 ppm2 7.553 CV 1
ASSI { 1860}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HD21))
6.000 5.000 0.000 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.802 ppm2 7.553 CV 1
ASSI { 1861}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD21))
6.000 5.000 0.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.780 ppm2 7.555 CV 1
ASSI { 1862}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.497 ppm2 6.867 CV 1
ASSI { 1863}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.802 ppm2 6.867 CV 1
ASSI { 1864}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.782 ppm2 6.866 CV 1
ASSI { 1865}
(( segid " " and resid 7 and name HD21))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.553 ppm2 6.869 CV 1
ASSI { 1866}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HB ))
4.200 2.700 1.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.42956E-03 ppm1 4.785 ppm2 3.846 CV 1
ASSI { 1867}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HA ))
3.100 1.700 1.700 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.27776E-02 ppm1 4.785 ppm2 3.671 CV 1
ASSI { 1868}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HB3 ))
6.000 5.000 0.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.978 ppm2 2.516 CV 1
ASSI { 1869}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
6.000 5.000 0.000 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.790 ppm2 3.674 CV 1
ASSI { 1870}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
6.000 5.000 0.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.524 ppm2 7.451 CV 1
ASSI { 1871}
(( segid " " and resid 11 and name HG12))
(( segid " " and resid 11 and name HN ))
6.000 5.000 0.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.759 ppm2 7.453 CV 1
ASSI { 1872}
(( segid " " and resid 11 and name HG13))
(( segid " " and resid 11 and name HN ))
6.000 5.000 0.000 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.153 ppm2 7.455 CV 1
ASSI { 1873}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HD1%)
2.800 1.500 1.500 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.55039E-02 ppm1 4.046 ppm2 0.351 CV 1
ASSI { 1874}
(( segid " " and resid 11 and name HG13))
(( segid " " and resid 11 and name HG12))
6.000 5.000 0.000 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.150 ppm2 0.759 CV 1
OR { 1874}
(( segid " " and resid 11 and name HB ))
( segid " " and resid 11 and name HG2%)
ASSI { 1875}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
6.000 5.000 0.000 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.663 ppm2 7.455 CV 1
ASSI { 1876}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
6.000 5.000 0.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.572 ppm2 8.624 CV 1
OR { 1876}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
ASSI { 1877}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
6.000 5.000 0.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 7.913 CV 1
ASSI { 1878}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB3 ))
6.000 5.000 0.000 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.087 ppm2 2.278 CV 1
ASSI { 1879}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
6.000 5.000 0.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.589 ppm2 7.916 CV 1
ASSI { 1880}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HN ))
6.000 5.000 0.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.823 ppm2 8.587 CV 1
OR { 1880}
(( segid " " and resid 15 and name HE2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 1881}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 5.000 0.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 8.586 CV 1
ASSI { 1882}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HN ))
6.000 5.000 0.000 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 8.586 CV 1
ASSI { 1883}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HG3 ))
2.500 1.300 1.300 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.96757E-02 ppm1 2.821 ppm2 1.268 CV 1
OR { 1883}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HG2 ))
OR { 1883}
(( segid " " and resid 15 and name HE2 ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 1884}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HD2 ))
6.000 5.000 0.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.821 ppm2 1.523 CV 1
OR { 1884}
(( segid " " and resid 15 and name HE2 ))
(( segid " " and resid 15 and name HD2 ))
ASSI { 1885}
(( segid " " and resid 15 and name HE2 ))
(( segid " " and resid 15 and name HD3 ))
6.000 5.000 0.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.821 ppm2 1.552 CV 1
OR { 1885}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HD3 ))
ASSI { 1886}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HB3 ))
6.000 5.000 0.000 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.818 ppm2 1.683 CV 1
OR { 1886}
(( segid " " and resid 15 and name HE2 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 1887}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
6.000 5.000 0.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.682 ppm2 1.553 CV 1
ASSI { 1888}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HD2 ))
6.000 5.000 0.000 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.682 ppm2 1.525 CV 1
ASSI { 1889}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HG2 ))
6.000 5.000 0.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.682 ppm2 1.270 CV 1
OR { 1889}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 1890}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HG3 ))
6.000 5.000 0.000 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.552 ppm2 1.268 CV 1
OR { 1890}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 1891}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HG2 ))
6.000 5.000 0.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 1.268 CV 1
OR { 1891}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 1892}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG3 ))
2.900 1.500 1.500 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.43468E-02 ppm1 4.698 ppm2 1.270 CV 1
OR { 1892}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 1894}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HD2 ))
6.000 5.000 0.000 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.698 ppm2 1.525 CV 1
ASSI { 1895}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
6.000 5.000 0.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.698 ppm2 1.555 CV 1
ASSI { 1896}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
3.100 1.700 1.700 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.27541E-02 ppm1 4.698 ppm2 1.685 CV 1
ASSI { 1897}
(( segid " " and resid 15 and name HE2 ))
( segid " " and resid 15 and name HZ% )
6.000 5.000 0.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.821 ppm2 7.439 CV 1
OR { 1897}
(( segid " " and resid 15 and name HE3 ))
( segid " " and resid 15 and name HZ% )
ASSI { 1900}
(( segid " " and resid 15 and name HG3 ))
( segid " " and resid 15 and name HZ% )
6.000 5.000 0.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.266 ppm2 7.439 CV 1
OR { 1900}
(( segid " " and resid 15 and name HG2 ))
( segid " " and resid 15 and name HZ% )
ASSI { 1901}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HD3 ))
6.000 5.000 0.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.698 ppm2 1.553 CV 1
ASSI { 1904}
(( segid " " and resid 15 and name HD3 ))
( segid " " and resid 15 and name HZ% )
6.000 5.000 0.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 7.439 CV 1
ASSI { 1905}
(( segid " " and resid 15 and name HD2 ))
( segid " " and resid 15 and name HZ% )
6.000 5.000 0.000 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.526 ppm2 7.439 CV 1
ASSI { 1907}
(( segid " " and resid 15 and name HD3 ))
(( segid " " and resid 15 and name HN ))
6.000 5.000 0.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.553 ppm2 8.586 CV 1
ASSI { 1908}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HZ% )
6.000 5.000 0.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.695 ppm2 7.439 CV 1
ASSI { 1909}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HD3 ))
6.000 5.000 0.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.577 ppm2 3.472 CV 1
ASSI { 1910}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HB3 ))
6.000 5.000 0.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.576 ppm2 1.682 CV 1
ASSI { 1911}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 15 and name HB3 ))
6.000 5.000 0.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.473 ppm2 1.682 CV 1
ASSI { 1914}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HG3 ))
6.000 5.000 0.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.576 ppm2 1.267 CV 1
OR { 1914}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 1915}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 15 and name HG3 ))
3.500 2.000 2.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.14176E-02 ppm1 3.470 ppm2 1.267 CV 1
OR { 1915}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 1916}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HG3 ))
6.000 5.000 0.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.578 ppm2 1.875 CV 1
ASSI { 1917}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HB2 ))
6.000 5.000 0.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.578 ppm2 1.851 CV 1
ASSI { 1918}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HB2 ))
6.000 5.000 0.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.475 ppm2 1.851 CV 1
ASSI { 1919}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HG3 ))
6.000 5.000 0.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.475 ppm2 1.870 CV 1
ASSI { 1920}
(( segid " " and resid 16 and name HD2 ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.578 ppm2 6.455 CV 1
ASSI { 1921}
(( segid " " and resid 16 and name HD3 ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.475 ppm2 6.458 CV 1
ASSI { 1922}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 17 and name HN ))
6.000 5.000 0.000 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.092 ppm2 9.454 CV 1
ASSI { 1923}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 17 and name HN ))
6.000 5.000 0.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.574 ppm2 9.454 CV 1
ASSI { 1924}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 17 and name HN ))
6.000 5.000 0.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.474 ppm2 9.457 CV 1
ASSI { 1925}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
6.000 5.000 0.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.550 ppm2 2.612 CV 1
ASSI { 1926}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
6.000 5.000 0.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.550 ppm2 2.501 CV 1
ASSI { 1927}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
6.000 5.000 0.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.652 ppm2 9.846 CV 1
ASSI { 1928}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.463 ppm2 9.059 CV 1
ASSI { 1930}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 15 and name HN ))
6.000 5.000 0.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.463 ppm2 8.583 CV 1
ASSI { 1931}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.845 ppm2 9.059 CV 1
ASSI { 1932}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
6.000 5.000 0.000 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.762 ppm2 2.622 CV 1
ASSI { 1933}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
6.000 5.000 0.000 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.845 ppm2 8.860 CV 1
ASSI { 1934}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HE21))
6.000 5.000 0.000 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.054 ppm2 7.562 CV 1
ASSI { 1935}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HE21))
6.000 5.000 0.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.862 ppm2 7.562 CV 1
ASSI { 1936}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
6.000 5.000 0.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.854 ppm2 8.712 CV 1
ASSI { 1937}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 23 and name HN ))
6.000 5.000 0.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.828 ppm2 8.458 CV 1
ASSI { 1938}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
6.000 5.000 0.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.638 ppm2 8.459 CV 1
ASSI { 1939}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.459 ppm2 8.259 CV 1
ASSI { 1940}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HB3 ))
6.000 5.000 0.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.139 ppm2 1.796 CV 1
ASSI { 1941}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG3 ))
6.000 5.000 0.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.139 ppm2 1.861 CV 1
OR { 1941}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 1942}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 26 and name HN ))
6.000 5.000 0.000 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.464 ppm2 8.469 CV 1
OR { 1942}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 26 and name HN ))
ASSI { 1943}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 26 and name HN ))
6.000 5.000 0.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.860 ppm2 8.470 CV 1
OR { 1943}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 26 and name HN ))
ASSI { 1944}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
6.000 5.000 0.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.472 ppm2 8.320 CV 1
ASSI { 1945}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 27 and name HN ))
6.000 5.000 0.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.252 ppm2 8.320 CV 1
ASSI { 1946}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
6.000 5.000 0.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.321 ppm2 8.066 CV 1
ASSI { 1947}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HD3 ))
6.000 5.000 0.000 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.619 ppm2 3.590 CV 1
ASSI { 1948}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HD2 ))
6.000 5.000 0.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.619 ppm2 3.695 CV 1
ASSI { 1949}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HB3 ))
6.000 5.000 0.000 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.151 ppm2 1.811 CV 1
ASSI { 1950}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HG3 ))
6.000 5.000 0.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.151 ppm2 1.872 CV 1
ASSI { 1951}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HG2 ))
6.000 5.000 0.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.151 ppm2 1.918 CV 1
ASSI { 1952}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HB3 ))
6.000 5.000 0.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.922 ppm2 1.811 CV 1
ASSI { 1953}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.698 ppm2 8.379 CV 1
ASSI { 1954}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.572 ppm2 8.379 CV 1
ASSI { 1955}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
6.000 5.000 0.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.812 ppm2 8.379 CV 1
ASSI { 1956}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.379 ppm2 7.913 CV 1
ASSI { 1957}
(( segid " " and resid 31 and name HG ))
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.445 ppm2 7.916 CV 1
ASSI { 1958}
( segid " " and resid 31 and name HD2%)
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.759 ppm2 7.916 CV 1
ASSI { 1959}
( segid " " and resid 31 and name HD1%)
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 7.916 CV 1
ASSI { 1960}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB3 ))
6.000 5.000 0.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.183 ppm2 1.514 CV 1
ASSI { 1961}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
6.000 5.000 0.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.183 ppm2 1.451 CV 1
ASSI { 1962}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HG ))
6.000 5.000 0.000 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.183 ppm2 1.443 CV 1
ASSI { 1963}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HD2%)
6.000 5.000 0.000 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.183 ppm2 0.759 CV 1
ASSI { 1964}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HD1%)
6.000 5.000 0.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.182 ppm2 0.696 CV 1
ASSI { 1965}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HB2 ))
6.000 5.000 0.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.515 ppm2 1.450 CV 1
ASSI { 1966}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 31 and name HD2%)
6.000 5.000 0.000 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.515 ppm2 0.760 CV 1
ASSI { 1967}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 31 and name HD1%)
6.000 5.000 0.000 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.516 ppm2 0.695 CV 1
ASSI { 1968}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 31 and name HD1%)
6.000 5.000 0.000 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.447 ppm2 0.694 CV 1
ASSI { 1969}
(( segid " " and resid 31 and name HG ))
( segid " " and resid 31 and name HD2%)
6.000 5.000 0.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.445 ppm2 0.760 CV 1
ASSI { 1970}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.154 ppm2 7.915 CV 1
ASSI { 1971}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
6.000 5.000 0.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.444 ppm2 8.152 CV 1
ASSI { 1972}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
6.000 5.000 0.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 8.152 CV 1
ASSI { 1973}
( segid " " and resid 31 and name HD1%)
(( segid " " and resid 32 and name HN ))
6.000 5.000 0.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.694 ppm2 8.153 CV 1
ASSI { 1974}
( segid " " and resid 31 and name HD2%)
(( segid " " and resid 32 and name HN ))
6.000 5.000 0.000 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.758 ppm2 8.153 CV 1
ASSI { 1975}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
6.000 5.000 0.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.179 ppm2 8.153 CV 1
ASSI { 1976}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.152 ppm2 8.239 CV 1
ASSI { 1977}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.766 ppm2 8.238 CV 1
OR { 1977}
( segid " " and resid 32 and name HD2%)
(( segid " " and resid 33 and name HN ))
ASSI { 1978}
(( segid " " and resid 32 and name HG ))
( segid " " and resid 32 and name HD1%)
6.000 5.000 0.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.426 ppm2 0.768 CV 1
OR { 1978}
(( segid " " and resid 32 and name HG ))
( segid " " and resid 32 and name HD2%)
ASSI { 1979}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 32 and name HD1%)
6.000 5.000 0.000 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.500 ppm2 0.769 CV 1
OR { 1979}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 32 and name HD2%)
ASSI { 1980}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HD21))
6.000 5.000 0.000 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.591 ppm2 7.521 CV 1
ASSI { 1981}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HD21))
6.000 5.000 0.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.672 ppm2 7.521 CV 1
ASSI { 1983}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HD21))
6.000 5.000 0.000 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.480 ppm2 7.521 CV 1
ASSI { 1984}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HD22))
6.000 5.000 0.000 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.591 ppm2 6.816 CV 1
ASSI { 1985}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HD22))
6.000 5.000 0.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.673 ppm2 6.816 CV 1
ASSI { 1986}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HD22))
6.000 5.000 0.000 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.480 ppm2 6.816 CV 1
ASSI { 1987}
(( segid " " and resid 33 and name HD21))
(( segid " " and resid 33 and name HD22))
6.000 5.000 0.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.520 ppm2 6.816 CV 1
ASSI { 1988}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HD21))
6.000 5.000 0.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.243 ppm2 7.520 CV 1
ASSI { 1989}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HD22))
6.000 5.000 0.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.238 ppm2 6.814 CV 1
ASSI { 1990}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HG ))
6.000 5.000 0.000 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.509 ppm2 1.420 CV 1
OR { 1990}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HG ))
ASSI { 1991}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
6.000 5.000 0.000 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.242 ppm2 8.050 CV 1
ASSI { 1992}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 35 and name HN ))
6.000 5.000 0.000 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.772 ppm2 7.964 CV 1
ASSI { 1993}
(( segid " " and resid 35 and name HG12))
( segid " " and resid 35 and name HG2%)
6.000 5.000 0.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.358 ppm2 0.789 CV 1
ASSI { 1994}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HD1%)
6.000 5.000 0.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.744 ppm2 0.697 CV 1
ASSI { 1995}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HD2 ))
6.000 5.000 0.000 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.299 ppm2 3.763 CV 1
ASSI { 1996}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HD3 ))
6.000 5.000 0.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.299 ppm2 3.521 CV 1
ASSI { 1997}
(( segid " " and resid 36 and name HD3 ))
(( segid " " and resid 35 and name HB ))
6.000 5.000 0.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.521 ppm2 1.744 CV 1
ASSI { 1998}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 35 and name HB ))
6.000 5.000 0.000 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.763 ppm2 1.744 CV 1
ASSI { 1999}
(( segid " " and resid 36 and name HD3 ))
( segid " " and resid 35 and name HD1%)
6.000 5.000 0.000 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.524 ppm2 0.698 CV 1
ASSI { 2000}
(( segid " " and resid 36 and name HD2 ))
( segid " " and resid 35 and name HD1%)
6.000 5.000 0.000 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.770 ppm2 0.698 CV 1
ASSI { 2001}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.895 ppm2 8.146 CV 1
OR { 2001}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 37 and name HN ))
ASSI { 2002}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.760 ppm2 8.143 CV 1
ASSI { 2003}
(( segid " " and resid 36 and name HD3 ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.526 ppm2 8.143 CV 1
ASSI { 2004}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HB3 ))
6.000 5.000 0.000 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.146 ppm2 1.796 CV 1
ASSI { 2005}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HG3 ))
6.000 5.000 0.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.146 ppm2 1.899 CV 1
ASSI { 2006}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
6.000 5.000 0.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.149 ppm2 8.363 CV 1
ASSI { 2007}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
6.000 5.000 0.000 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.679 ppm2 2.568 CV 1
ASSI { 2008}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB3 ))
6.000 5.000 0.000 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.166 ppm2 1.502 CV 1
OR { 2008}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 2009}
( segid " " and resid 39 and name HD2%)
(( segid " " and resid 39 and name HN ))
6.000 5.000 0.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.765 ppm2 8.305 CV 1
OR { 2009}
( segid " " and resid 39 and name HD1%)
(( segid " " and resid 39 and name HN ))
ASSI { 2010}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HD2%)
6.000 5.000 0.000 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.501 ppm2 0.763 CV 1
OR { 2010}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HD1%)
OR { 2010}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HD2%)
ASSI { 2011}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HD1%)
6.000 5.000 0.000 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.166 ppm2 0.762 CV 1
OR { 2011}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HD2%)
ASSI { 2012}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
6.000 5.000 0.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.243 ppm2 3.759 CV 1
OR { 2012}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
ASSI { 2013}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
6.000 5.000 0.000 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.760 ppm2 7.974 CV 1
OR { 2013}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
ASSI { 2014}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.621 ppm2 8.728 CV 1
ASSI { 2015}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.550 ppm2 8.728 CV 1
OR { 2015}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 43 and name HN ))
ASSI { 2016}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.552 ppm2 8.730 CV 1
ASSI { 2017}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.621 ppm2 8.730 CV 1
ASSI { 2018}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.133 ppm2 8.731 CV 1
ASSI { 2019}
(( segid " " and resid 43 and name HG ))
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.391 ppm2 8.731 CV 1
ASSI { 2020}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.630 ppm2 8.730 CV 1
OR { 2020}
( segid " " and resid 43 and name HD2%)
(( segid " " and resid 43 and name HN ))
ASSI { 2022}
(( segid " " and resid 43 and name HG ))
( segid " " and resid 43 and name HD2%)
6.000 5.000 0.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.391 ppm2 0.630 CV 1
OR { 2022}
(( segid " " and resid 43 and name HG ))
( segid " " and resid 43 and name HD1%)
ASSI { 2023}
(( segid " " and resid 43 and name HB3 ))
( segid " " and resid 43 and name HD1%)
6.000 5.000 0.000 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.627 ppm2 0.629 CV 1
OR { 2023}
(( segid " " and resid 43 and name HB3 ))
( segid " " and resid 43 and name HD2%)
ASSI { 2024}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HB2 ))
6.000 5.000 0.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.627 ppm2 1.135 CV 1
ASSI { 2025}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HG ))
6.000 5.000 0.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.624 ppm2 1.387 CV 1
ASSI { 2026}
(( segid " " and resid 43 and name HG ))
(( segid " " and resid 43 and name HB2 ))
6.000 5.000 0.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.391 ppm2 1.134 CV 1
ASSI { 2027}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB3 ))
3.600 2.100 2.100 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.11037E-02 ppm1 4.552 ppm2 1.620 CV 1
ASSI { 2028}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HG ))
6.000 5.000 0.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.552 ppm2 1.387 CV 1
ASSI { 2029}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB2 ))
3.700 2.200 2.200 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.96714E-03 ppm1 4.552 ppm2 1.128 CV 1
ASSI { 2030}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HD1%)
6.000 5.000 0.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.551 ppm2 0.633 CV 1
OR { 2030}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HD2%)
ASSI { 2031}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
6.000 5.000 0.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 8.087 CV 1
ASSI { 2032}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.553 ppm2 8.598 CV 1
ASSI { 2033}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.624 ppm2 8.598 CV 1
ASSI { 2034}
( segid " " and resid 43 and name HD2%)
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.631 ppm2 8.598 CV 1
OR { 2034}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 44 and name HN ))
ASSI { 2035}
(( segid " " and resid 43 and name HG ))
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.391 ppm2 8.598 CV 1
ASSI { 2036}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.133 ppm2 8.598 CV 1
ASSI { 2037}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 45 and name HN ))
6.000 5.000 0.000 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.411 ppm2 8.918 CV 1
ASSI { 2038}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HB3 ))
6.000 5.000 0.000 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.733 ppm2 2.508 CV 1
ASSI { 2039}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
6.000 5.000 0.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.262 ppm2 8.917 CV 1
ASSI { 2040}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
6.000 5.000 0.000 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 8.919 CV 1
ASSI { 2041}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HN ))
6.000 5.000 0.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.730 ppm2 8.598 CV 1
ASSI { 2042}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
6.000 5.000 0.000 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.261 ppm2 8.692 CV 1
ASSI { 2043}
( segid " " and resid 47 and name HG1%)
( segid " " and resid 47 and name HG2%)
6.000 5.000 0.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.843 ppm2 0.665 CV 1
ASSI { 2044}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
6.000 5.000 0.000 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.031 ppm2 8.692 CV 1
ASSI { 2048}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HA2 ))
6.000 5.000 0.000 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.282 ppm2 2.650 CV 1
ASSI { 2049}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HN ))
6.000 5.000 0.000 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.036 ppm2 7.883 CV 1
ASSI { 2050}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HN ))
6.000 5.000 0.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.677 ppm2 8.720 CV 1
ASSI { 2051}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.258 ppm2 0.673 CV 1
ASSI { 2052}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HN ))
6.000 5.000 0.000 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.009 ppm2 8.720 CV 1
ASSI { 2053}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.678 ppm2 9.009 CV 1
ASSI { 2054}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.016 ppm2 8.109 CV 1
ASSI { 2055}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.726 ppm2 8.110 CV 1
ASSI { 2056}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB2 ))
6.000 5.000 0.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 3.725 CV 1
ASSI { 2057}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HB2 ))
6.000 5.000 0.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.876 ppm2 3.725 CV 1
ASSI { 2058}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 53 and name HN ))
6.000 5.000 0.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.729 ppm2 8.511 CV 1
ASSI { 2059}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.514 ppm2 8.109 CV 1
ASSI { 2060}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HB3 ))
6.000 5.000 0.000 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.789 ppm2 1.612 CV 1
ASSI { 2061}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HE22))
6.000 5.000 0.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.089 ppm2 6.744 CV 1
ASSI { 2062}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HN ))
6.000 5.000 0.000 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.832 ppm2 8.337 CV 1
ASSI { 2063}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HN ))
6.000 5.000 0.000 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.018 ppm2 8.833 CV 1
ASSI { 2064}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.771 ppm2 9.016 CV 1
ASSI { 2065}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.550 ppm2 9.016 CV 1
ASSI { 2066}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.595 ppm2 9.017 CV 1
OR { 2066}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HN ))
ASSI { 2067}
(( segid " " and resid 59 and name HD3 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.552 ppm2 9.016 CV 1
ASSI { 2068}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.444 ppm2 9.016 CV 1
ASSI { 2069}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.124 ppm2 9.016 CV 1
OR { 2069}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 59 and name HN ))
ASSI { 2071}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
6.000 5.000 0.000 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.773 ppm2 1.596 CV 1
OR { 2071}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB3 ))
ASSI { 2072}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HD3 ))
6.000 5.000 0.000 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.772 ppm2 1.555 CV 1
ASSI { 2073}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HD2 ))
3.700 2.200 2.200 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.96885E-03 ppm1 4.770 ppm2 1.445 CV 1
ASSI { 2074}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HG2 ))
3.100 1.700 1.700 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.27456E-02 ppm1 4.772 ppm2 1.124 CV 1
OR { 2074}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 2075}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HG3 ))
6.000 5.000 0.000 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.596 ppm2 1.124 CV 1
OR { 2075}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HG2 ))
OR { 2075}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 2076}
(( segid " " and resid 59 and name HD3 ))
(( segid " " and resid 59 and name HG3 ))
6.000 5.000 0.000 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 1.124 CV 1
OR { 2076}
(( segid " " and resid 59 and name HD3 ))
(( segid " " and resid 59 and name HG2 ))
ASSI { 2077}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HG3 ))
6.000 5.000 0.000 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.445 ppm2 1.124 CV 1
OR { 2077}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HG2 ))
ASSI { 2078}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HD2 ))
6.000 5.000 0.000 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.596 ppm2 1.447 CV 1
OR { 2078}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HD2 ))
ASSI { 2079}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HB2 ))
6.000 5.000 0.000 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.546 ppm2 1.595 CV 1
OR { 2079}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HB3 ))
ASSI { 2080}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HD3 ))
6.000 5.000 0.000 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.546 ppm2 1.555 CV 1
ASSI { 2081}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HD2 ))
6.000 5.000 0.000 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.546 ppm2 1.445 CV 1
ASSI { 2082}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HG2 ))
3.300 1.900 1.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.17951E-02 ppm1 2.548 ppm2 1.124 CV 1
OR { 2082}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 2083}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HG2 ))
2.700 1.400 1.400 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.61424E-02 ppm1 2.770 ppm2 1.122 CV 1
OR { 2083}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 2084}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HD2 ))
3.300 1.900 1.900 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.17769E-02 ppm1 2.770 ppm2 1.445 CV 1
ASSI { 2085}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HD3 ))
6.000 5.000 0.000 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.772 ppm2 1.555 CV 1
ASSI { 2086}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HB3 ))
2.900 1.500 1.500 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.43852E-02 ppm1 2.772 ppm2 1.596 CV 1
OR { 2086}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 2087}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HE2 ))
6.000 5.000 0.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.772 ppm2 2.770 CV 1
ASSI { 2088}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HE3 ))
6.000 5.000 0.000 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.772 ppm2 2.546 CV 1
ASSI { 2089}
(( segid " " and resid 59 and name HE2 ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.770 ppm2 9.055 CV 1
ASSI { 2090}
(( segid " " and resid 59 and name HE3 ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.551 ppm2 9.055 CV 1
ASSI { 2091}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.125 ppm2 9.053 CV 1
OR { 2091}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 60 and name HN ))
ASSI { 2092}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.447 ppm2 9.053 CV 1
ASSI { 2093}
(( segid " " and resid 59 and name HD3 ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.555 ppm2 9.053 CV 1
ASSI { 2094}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.598 ppm2 9.053 CV 1
OR { 2094}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 60 and name HN ))
ASSI { 2095}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.461 ppm2 9.056 CV 1
ASSI { 2096}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HB3 ))
6.000 5.000 0.000 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.902 ppm2 2.426 CV 1
ASSI { 2097}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.457 ppm2 8.271 CV 1
ASSI { 2098}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.718 ppm2 8.277 CV 1
OR { 2098}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HN ))
ASSI { 2099}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.245 ppm2 8.274 CV 1
ASSI { 2100}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.969 ppm2 0.832 CV 1
ASSI { 2101}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HG2 ))
6.000 5.000 0.000 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.969 ppm2 0.903 CV 1
OR { 2101}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HG3 ))
ASSI { 2102}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB3 ))
6.000 5.000 0.000 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.969 ppm2 1.238 CV 1
ASSI { 2103}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HD2 ))
6.000 5.000 0.000 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.969 ppm2 1.322 CV 1
OR { 2103}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HD3 ))
ASSI { 2104}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HD2 ))
2.600 1.300 1.300 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.87427E-02 ppm1 2.723 ppm2 1.322 CV 1
OR { 2104}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HD3 ))
OR { 2104}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HD2 ))
ASSI { 2105}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HB3 ))
6.000 5.000 0.000 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.722 ppm2 1.242 CV 1
OR { 2105}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HB3 ))
ASSI { 2106}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HG2 ))
2.800 1.500 1.500 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.50962E-02 ppm1 2.723 ppm2 0.904 CV 1
OR { 2106}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HG2 ))
OR { 2106}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HG3 ))
OR { 2106}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HG3 ))
ASSI { 2107}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.723 ppm2 0.832 CV 1
OR { 2107}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HB2 ))
ASSI { 2108}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.321 ppm2 0.832 CV 1
OR { 2108}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HB2 ))
ASSI { 2109}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.242 ppm2 0.832 CV 1
ASSI { 2110}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HG3 ))
6.000 5.000 0.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.242 ppm2 0.904 CV 1
OR { 2110}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HG2 ))
ASSI { 2111}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HG3 ))
6.000 5.000 0.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.324 ppm2 0.903 CV 1
OR { 2111}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 62 and name HG2 ))
OR { 2111}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HG2 ))
ASSI { 2112}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HE2 ))
6.000 5.000 0.000 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.971 ppm2 2.721 CV 1
OR { 2112}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HE3 ))
ASSI { 2113}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 63 and name HN ))
6.000 5.000 0.000 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.826 ppm2 8.399 CV 1
ASSI { 2114}
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 63 and name HN ))
6.000 5.000 0.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.903 ppm2 8.399 CV 1
OR { 2114}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 63 and name HN ))
ASSI { 2115}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 63 and name HN ))
6.000 5.000 0.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.244 ppm2 8.401 CV 1
ASSI { 2116}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 63 and name HN ))
6.000 5.000 0.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.319 ppm2 8.398 CV 1
OR { 2116}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 63 and name HN ))
ASSI { 2117}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 63 and name HN ))
6.000 5.000 0.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.721 ppm2 8.399 CV 1
OR { 2117}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 63 and name HN ))
ASSI { 2118}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HB3 ))
6.000 5.000 0.000 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.637 ppm2 2.503 CV 1
ASSI { 2119}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HN ))
6.000 5.000 0.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.355 ppm2 7.892 CV 1
ASSI { 2120}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HN ))
6.000 5.000 0.000 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.247 ppm2 7.891 CV 1
ASSI { 2121}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HN ))
6.000 5.000 0.000 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.386 ppm2 8.249 CV 1
ASSI { 2122}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HB3 ))
6.000 5.000 0.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.750 ppm2 2.630 CV 1
ASSI { 2123}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HD21))
6.000 5.000 0.000 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.634 ppm2 7.597 CV 1
ASSI { 2124}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HD22))
6.000 5.000 0.000 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.634 ppm2 6.861 CV 1
ASSI { 2125}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HD21))
6.000 5.000 0.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.749 ppm2 7.597 CV 1
ASSI { 2126}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HD22))
6.000 5.000 0.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.749 ppm2 6.861 CV 1
ASSI { 2127}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HD21))
6.000 5.000 0.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.690 ppm2 7.597 CV 1
ASSI { 2128}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HD22))
6.000 5.000 0.000 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.690 ppm2 6.861 CV 1
ASSI { 2129}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
6.000 5.000 0.000 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 8.174 CV 1
ASSI { 2130}
(( segid " " and resid 68 and name HB ))
(( segid " " and resid 68 and name HN ))
6.000 5.000 0.000 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.208 ppm2 8.173 CV 1
ASSI { 2132}
(( segid " " and resid 68 and name HB ))
( segid " " and resid 68 and name HG2%)
6.000 5.000 0.000 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.207 ppm2 1.059 CV 1
OR { 2132}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 68 and name HG2%)
ASSI { 2133}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HN ))
6.000 5.000 0.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.444 ppm2 8.174 CV 1
ASSI { 2134}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 70 and name HN ))
6.000 5.000 0.000 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.446 ppm2 8.138 CV 1
ASSI { 2135}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HN ))
6.000 5.000 0.000 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.292 ppm2 8.138 CV 1
ASSI { 2136}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 70 and name HB3 ))
6.000 5.000 0.000 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.739 ppm2 2.631 CV 1
ASSI { 2137}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HD21))
6.000 5.000 0.000 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.677 ppm2 7.520 CV 1
ASSI { 2138}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HD22))
6.000 5.000 0.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.677 ppm2 6.862 CV 1
ASSI { 2139}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 70 and name HD21))
6.000 5.000 0.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.632 ppm2 7.521 CV 1
ASSI { 2140}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 70 and name HD21))
6.000 5.000 0.000 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.742 ppm2 7.520 CV 1
ASSI { 2141}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 70 and name HD22))
6.000 5.000 0.000 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.632 ppm2 6.862 CV 1
ASSI { 2142}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 70 and name HD22))
6.000 5.000 0.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.743 ppm2 6.863 CV 1
ASSI { 2143}
(( segid " " and resid 70 and name HD21))
(( segid " " and resid 70 and name HD22))
6.000 5.000 0.000 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.521 ppm2 6.862 CV 1
ASSI { 2144}
(( segid " " and resid 67 and name HD21))
(( segid " " and resid 67 and name HD22))
6.000 5.000 0.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.599 ppm2 6.861 CV 1
ASSI { 2146}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HN ))
6.000 5.000 0.000 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.292 ppm2 7.939 CV 1
ASSI { 2147}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HN ))
6.000 5.000 0.000 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.750 ppm2 7.937 CV 1
ASSI { 2148}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HN ))
6.000 5.000 0.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.174 ppm2 8.745 CV 1
ASSI { 2149}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 73 and name HN ))
6.000 5.000 0.000 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.243 ppm2 8.745 CV 1
ASSI { 2150}
(( segid " " and resid 73 and name HG ))
(( segid " " and resid 73 and name HN ))
6.000 5.000 0.000 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.389 ppm2 8.748 CV 1
ASSI { 2151}
( segid " " and resid 73 and name HD2%)
(( segid " " and resid 73 and name HN ))
6.000 5.000 0.000 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.692 ppm2 8.745 CV 1
ASSI { 2152}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 73 and name HN ))
6.000 5.000 0.000 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.638 ppm2 8.746 CV 1
ASSI { 2153}
(( segid " " and resid 73 and name HG ))
( segid " " and resid 73 and name HD1%)
6.000 5.000 0.000 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.388 ppm2 0.639 CV 1
ASSI { 2154}
(( segid " " and resid 73 and name HG ))
( segid " " and resid 73 and name HD2%)
6.000 5.000 0.000 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.388 ppm2 0.696 CV 1
ASSI { 2155}
(( segid " " and resid 73 and name HB3 ))
( segid " " and resid 73 and name HD2%)
6.000 5.000 0.000 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.245 ppm2 0.694 CV 1
ASSI { 2156}
(( segid " " and resid 73 and name HB3 ))
( segid " " and resid 73 and name HD1%)
6.000 5.000 0.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.245 ppm2 0.639 CV 1
ASSI { 2157}
(( segid " " and resid 73 and name HB2 ))
( segid " " and resid 73 and name HD1%)
6.000 5.000 0.000 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.175 ppm2 0.639 CV 1
ASSI { 2158}
(( segid " " and resid 73 and name HB2 ))
( segid " " and resid 73 and name HD2%)
6.000 5.000 0.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.173 ppm2 0.696 CV 1
ASSI { 2159}
(( segid " " and resid 73 and name HG ))
(( segid " " and resid 73 and name HB2 ))
6.000 5.000 0.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.389 ppm2 1.172 CV 1
ASSI { 2160}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 73 and name HD1%)
6.000 5.000 0.000 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.294 ppm2 0.639 CV 1
ASSI { 2161}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 73 and name HD2%)
6.000 5.000 0.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.294 ppm2 0.697 CV 1
ASSI { 2162}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB2 ))
6.000 5.000 0.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.294 ppm2 1.173 CV 1
ASSI { 2163}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB3 ))
6.000 5.000 0.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.294 ppm2 1.248 CV 1
ASSI { 2164}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG ))
6.000 5.000 0.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.294 ppm2 1.388 CV 1
ASSI { 2165}
(( segid " " and resid 73 and name HG ))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.389 ppm2 8.103 CV 1
ASSI { 2166}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.246 ppm2 8.102 CV 1
ASSI { 2167}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.173 ppm2 8.102 CV 1
ASSI { 2168}
( segid " " and resid 73 and name HD2%)
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.699 ppm2 8.103 CV 1
ASSI { 2169}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.638 ppm2 8.103 CV 1
ASSI { 2170}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.751 ppm2 8.106 CV 1
ASSI { 2171}
(( segid " " and resid 74 and name HG13))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.375 ppm2 8.104 CV 1
ASSI { 2172}
(( segid " " and resid 74 and name HG12))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.041 ppm2 8.104 CV 1
ASSI { 2173}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.697 ppm2 8.104 CV 1
ASSI { 2174}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.629 ppm2 8.103 CV 1
ASSI { 2175}
(( segid " " and resid 74 and name HG12))
( segid " " and resid 74 and name HG2%)
6.000 5.000 0.000 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.042 ppm2 0.629 CV 1
ASSI { 2176}
(( segid " " and resid 74 and name HG12))
( segid " " and resid 74 and name HD1%)
6.000 5.000 0.000 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.042 ppm2 0.696 CV 1
ASSI { 2177}
(( segid " " and resid 74 and name HG13))
( segid " " and resid 74 and name HD1%)
6.000 5.000 0.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.375 ppm2 0.698 CV 1
ASSI { 2178}
(( segid " " and resid 74 and name HG13))
( segid " " and resid 74 and name HG2%)
6.000 5.000 0.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.373 ppm2 0.629 CV 1
ASSI { 2179}
(( segid " " and resid 74 and name HB ))
( segid " " and resid 74 and name HG2%)
6.000 5.000 0.000 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.618 ppm2 0.629 CV 1
ASSI { 2180}
(( segid " " and resid 74 and name HB ))
( segid " " and resid 74 and name HD1%)
6.000 5.000 0.000 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.623 ppm2 0.698 CV 1
ASSI { 2181}
(( segid " " and resid 74 and name HG13))
(( segid " " and resid 74 and name HG12))
6.000 5.000 0.000 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.375 ppm2 1.040 CV 1
ASSI { 2182}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 74 and name HG12))
6.000 5.000 0.000 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.621 ppm2 1.042 CV 1
ASSI { 2183}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 74 and name HG13))
6.000 5.000 0.000 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.618 ppm2 1.376 CV 1
ASSI { 2184}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 74 and name HG2%)
6.000 5.000 0.000 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.611 ppm2 0.629 CV 1
ASSI { 2185}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 74 and name HD1%)
6.000 5.000 0.000 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.611 ppm2 0.698 CV 1
ASSI { 2186}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HG12))
6.000 5.000 0.000 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.611 ppm2 1.043 CV 1
ASSI { 2187}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HG13))
3.100 1.700 1.700 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.25662E-02 ppm1 4.613 ppm2 1.376 CV 1
ASSI { 2188}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.720 ppm2 8.106 CV 1
ASSI { 2189}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.612 ppm2 8.719 CV 1
ASSI { 2190}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.621 ppm2 8.719 CV 1
ASSI { 2191}
(( segid " " and resid 74 and name HG13))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.375 ppm2 8.720 CV 1
ASSI { 2192}
(( segid " " and resid 74 and name HG12))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.039 ppm2 8.719 CV 1
ASSI { 2193}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.701 ppm2 8.720 CV 1
ASSI { 2194}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.628 ppm2 8.719 CV 1
ASSI { 2195}
(( segid " " and resid 75 and name HG13))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.851 ppm2 8.720 CV 1
ASSI { 2196}
(( segid " " and resid 75 and name HG12))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.469 ppm2 8.719 CV 1
ASSI { 2197}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.534 ppm2 8.719 CV 1
ASSI { 2198}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.147 ppm2 8.719 CV 1
ASSI { 2199}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 75 and name HD1%)
6.000 5.000 0.000 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.295 ppm2 -0.150 CV 1
ASSI { 2200}
(( segid " " and resid 75 and name HG13))
( segid " " and resid 75 and name HD1%)
6.000 5.000 0.000 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.848 ppm2 -0.148 CV 1
ASSI { 2201}
( segid " " and resid 75 and name HG2%)
( segid " " and resid 75 and name HD1%)
6.000 5.000 0.000 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.530 ppm2 -0.150 CV 1
ASSI { 2202}
(( segid " " and resid 75 and name HG12))
( segid " " and resid 75 and name HD1%)
6.000 5.000 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.465 ppm2 -0.150 CV 1
ASSI { 2203}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.305 ppm2 0.526 CV 1
ASSI { 2204}
(( segid " " and resid 75 and name HG13))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.853 ppm2 0.524 CV 1
ASSI { 2205}
(( segid " " and resid 75 and name HG13))
(( segid " " and resid 75 and name HG12))
6.000 5.000 0.000 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.851 ppm2 0.471 CV 1
ASSI { 2206}
(( segid " " and resid 75 and name HB ))
(( segid " " and resid 75 and name HG13))
6.000 5.000 0.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.303 ppm2 0.852 CV 1
ASSI { 2207}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 75 and name HD1%)
2.900 1.600 1.600 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.40885E-02 ppm1 4.013 ppm2 -0.151 CV 1
ASSI { 2208}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HG12))
6.000 5.000 0.000 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.011 ppm2 0.471 CV 1
ASSI { 2209}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.013 ppm2 0.529 CV 1
ASSI { 2210}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB ))
6.000 5.000 0.000 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.015 ppm2 1.302 CV 1
ASSI { 2211}
(( segid " " and resid 75 and name HB ))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.301 ppm2 8.617 CV 1
ASSI { 2212}
(( segid " " and resid 75 and name HG13))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.853 ppm2 8.617 CV 1
ASSI { 2213}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.534 ppm2 8.617 CV 1
ASSI { 2214}
(( segid " " and resid 75 and name HG12))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.468 ppm2 8.617 CV 1
ASSI { 2215}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.146 ppm2 8.617 CV 1
ASSI { 2216}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.721 ppm2 8.616 CV 1
ASSI { 2217}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.525 ppm2 8.617 CV 1
ASSI { 2218}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.657 ppm2 8.616 CV 1
ASSI { 2219}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.575 ppm2 8.617 CV 1
ASSI { 2220}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB2 ))
6.000 5.000 0.000 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.526 ppm2 2.574 CV 1
ASSI { 2221}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB3 ))
6.000 5.000 0.000 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.526 ppm2 2.657 CV 1
ASSI { 2222}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 76 and name HB2 ))
6.000 5.000 0.000 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.657 ppm2 2.574 CV 1
ASSI { 2223}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HD21))
6.000 5.000 0.000 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.527 ppm2 7.541 CV 1
ASSI { 2224}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HD22))
6.000 5.000 0.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.527 ppm2 6.814 CV 1
ASSI { 2225}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 76 and name HD21))
6.000 5.000 0.000 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.656 ppm2 7.541 CV 1
ASSI { 2226}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HD21))
6.000 5.000 0.000 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.574 ppm2 7.539 CV 1
ASSI { 2227}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HD22))
6.000 5.000 0.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.575 ppm2 6.815 CV 1
ASSI { 2228}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 76 and name HD22))
6.000 5.000 0.000 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.656 ppm2 6.815 CV 1
ASSI { 2229}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 76 and name HD22))
6.000 5.000 0.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.541 ppm2 6.816 CV 1
ASSI { 2230}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HD22))
6.000 5.000 0.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.616 ppm2 6.816 CV 1
ASSI { 2231}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HD21))
6.000 5.000 0.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.616 ppm2 7.540 CV 1
ASSI { 2232}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HN ))
6.000 5.000 0.000 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.525 ppm2 8.738 CV 1
ASSI { 2233}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HN ))
6.000 5.000 0.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.664 ppm2 8.734 CV 1
ASSI { 2234}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 77 and name HN ))
6.000 5.000 0.000 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.223 ppm2 8.734 CV 1
ASSI { 2235}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 77 and name HB% )
6.000 5.000 0.000 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.661 ppm2 1.219 CV 1
ASSI { 2236}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.736 ppm2 8.617 CV 1
ASSI { 2237}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 78 and name HN ))
6.000 5.000 0.000 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.734 ppm2 8.335 CV 1
ASSI { 2238}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HN ))
6.000 5.000 0.000 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.664 ppm2 8.335 CV 1
ASSI { 2239}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 78 and name HN ))
6.000 5.000 0.000 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.223 ppm2 8.334 CV 1
ASSI { 2240}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HN ))
6.000 5.000 0.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.337 ppm2 8.136 CV 1
ASSI { 2241}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HB3 ))
6.000 5.000 0.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.108 ppm2 2.724 CV 1
ASSI { 2242}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HD21))
6.000 5.000 0.000 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.783 ppm2 7.442 CV 1
ASSI { 2243}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HD22))
6.000 5.000 0.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.781 ppm2 7.017 CV 1
ASSI { 2244}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HD22))
6.000 5.000 0.000 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.138 ppm2 7.016 CV 1
ASSI { 2245}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HD21))
6.000 5.000 0.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.134 ppm2 7.441 CV 1
ASSI { 2246}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 80 and name HN ))
6.000 5.000 0.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.725 ppm2 7.620 CV 1
ASSI { 2247}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HN ))
6.000 5.000 0.000 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.135 ppm2 7.620 CV 1
ASSI { 2248}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 80 and name HB3 ))
6.000 5.000 0.000 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.871 ppm2 2.767 CV 1
ASSI { 2249}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HN ))
6.000 5.000 0.000 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.548 ppm2 7.622 CV 1
ASSI { 2250}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 82 and name HN ))
6.000 5.000 0.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.548 ppm2 8.289 CV 1
ASSI { 2252}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 17 and name HN ))
3.200 1.800 1.800 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.24659E-02 ppm1 0.542 ppm2 9.456 CV 1
OR { 2252}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 17 and name HN ))
ASSI { 2255}
( segid " " and resid 22 and name HE% )
(( segid " " and resid 22 and name HB2 ))
6.000 5.000 0.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.505 ppm2 2.174 CV 1
ASSI { 2256}
( segid " " and resid 22 and name HE% )
(( segid " " and resid 22 and name HB3 ))
6.000 5.000 0.000 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.505 ppm2 2.011 CV 1
ASSI { 2257}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 55 and name HN ))
6.000 5.000 0.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.606 ppm2 9.546 CV 1
ASSI { 2259}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 54 and name HN ))
3.900 2.400 2.100 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.73486E-03 ppm1 1.054 ppm2 8.981 CV 1
ASSI { 2260}
( segid " " and resid 75 and name HD1%)
( segid " " and resid 17 and name HD% )
2.700 1.400 1.400 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.61978E-02 ppm1 -0.151 ppm2 6.654 CV 1
ASSI { 2262}
( segid " " and resid 75 and name HG2%)
( segid " " and resid 17 and name HE% )
3.400 1.900 1.900 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.16674E-02 ppm1 0.529 ppm2 6.455 CV 1
ASSI { 2263}
( segid " " and resid 75 and name HD1%)
( segid " " and resid 17 and name HE% )
2.800 1.500 1.500 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.48058E-02 ppm1 -0.151 ppm2 6.454 CV 1
ASSI { 2264}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 49 and name HN ))
3.300 1.800 1.800 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.20564E-02 ppm1 0.524 ppm2 7.882 CV 1
ASSI { 2266}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 48 and name HN ))
3.800 2.300 2.200 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.85484E-03 ppm1 0.527 ppm2 8.029 CV 1
ASSI { 2267}
(( segid " " and resid 44 and name HA2 ))
( segid " " and resid 72 and name HE% )
2.700 1.400 1.400 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.62000E-02 ppm1 3.422 ppm2 7.075 CV 1
OR { 2267}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 72 and name HZ ))
ASSI { 2271}
( segid " " and resid 65 and name HG2%)
( segid " " and resid 75 and name HD1%)
3.800 2.300 2.200 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.84822E-03 ppm1 0.770 ppm2 -0.150 CV 1
OR { 2271}
( segid " " and resid 65 and name HG1%)
( segid " " and resid 75 and name HD1%)
ASSI { 2272}
(( segid " " and resid 61 and name HB3 ))
( segid " " and resid 75 and name HD1%)
3.400 2.000 2.000 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.15180E-02 ppm1 2.409 ppm2 -0.150 CV 1
ASSI { 2275}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 75 and name HD1%)
3.300 1.800 1.800 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.20474E-02 ppm1 2.606 ppm2 -0.150 CV 1
ASSI { 2276}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 75 and name HD1%)
3.200 1.800 1.800 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.21627E-02 ppm1 2.724 ppm2 -0.150 CV 1
ASSI { 2277}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 75 and name HD1%)
3.400 1.900 1.900 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.16875E-02 ppm1 2.899 ppm2 -0.150 CV 1
ASSI { 2278}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 4 and name HG2%)
2.800 1.500 1.500 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.48955E-02 ppm1 3.253 ppm2 0.555 CV 1
ASSI { 2279}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 4 and name HG2%)
2.900 1.600 1.600 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.40842E-02 ppm1 2.093 ppm2 0.556 CV 1
ASSI { 2280}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 4 and name HD1%)
3.500 2.100 2.100 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.12947E-02 ppm1 2.096 ppm2 0.529 CV 1
ASSI { 2281}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 4 and name HD1%)
3.300 1.900 1.900 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.18299E-02 ppm1 3.253 ppm2 0.527 CV 1
ASSI { 2283}
(( segid " " and resid 51 and name HA2 ))
( segid " " and resid 3 and name HG2%)
2.700 1.400 1.400 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.69109E-02 ppm1 3.452 ppm2 0.868 CV 1
ASSI { 2284}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 46 and name HG2%)
6.000 5.000 0.000 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.947 ppm2 0.846 CV 1
ASSI { 2285}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 8 and name HG2%)
3.300 1.900 1.900 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.19362E-02 ppm1 2.085 ppm2 1.125 CV 1
ASSI { 2287}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 66 and name HG2%)
3.500 2.100 2.100 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.12912E-02 ppm1 2.009 ppm2 1.056 CV 1
ASSI { 2288}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 4 and name HD1%)
2.600 1.400 1.400 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.71992E-02 ppm1 2.457 ppm2 0.524 CV 1
ASSI { 2290}
(( segid " " and resid 20 and name HG3 ))
( segid " " and resid 56 and name HB% )
2.600 1.400 1.400 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.74788E-02 ppm1 2.326 ppm2 1.277 CV 1
OR { 2290}
(( segid " " and resid 20 and name HG2 ))
( segid " " and resid 56 and name HB% )
ASSI { 2291}
( segid " " and resid 43 and name HD1%)
( segid " " and resid 59 and name HZ% )
3.300 1.800 1.800 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.20754E-02 ppm1 0.629 ppm2 7.595 CV 1
OR { 2291}
( segid " " and resid 43 and name HD2%)
( segid " " and resid 59 and name HZ% )
ASSI { 2292}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 53 and name HE21))
3.600 2.100 2.100 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.12086E-02 ppm1 0.873 ppm2 7.382 CV 1
ASSI { 2293}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 53 and name HE21))
3.700 2.200 2.200 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.97248E-03 ppm1 1.264 ppm2 7.383 CV 1
ASSI { 2294}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 14 and name HN ))
3.500 2.000 2.000 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 1.143 ppm2 7.912 CV 1
OR { 2294}
(( segid " " and resid 11 and name HG13))
(( segid " " and resid 14 and name HN ))
ASSI { 2296}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 54 and name HN ))
3.000 1.600 1.600 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.36700E-02 ppm1 3.767 ppm2 8.977 CV 1
ASSI { 2297}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 24 and name HN ))
3.000 1.600 1.600 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.35333E-02 ppm1 3.461 ppm2 8.257 CV 1
OR { 2297}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 2298}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 52 and name HN ))
2.900 1.600 1.600 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.40885E-02 ppm1 3.250 ppm2 8.107 CV 1
ASSI { 2299}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 54 and name HN ))
2.900 1.600 1.600 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 1.265 ppm2 8.978 CV 1
ASSI { 2301}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 80 and name HN ))
3.400 2.000 2.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.14838E-02 ppm1 4.129 ppm2 7.618 CV 1
ASSI { 2303}
(( segid " " and resid 71 and name HB3 ))
( segid " " and resid 72 and name HD% )
3.700 2.300 2.300 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.89541E-03 ppm1 3.768 ppm2 6.980 CV 1
OR { 2303}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 72 and name HD% )
ASSI { 2304}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 37 and name HN ))
3.600 2.100 2.100 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 1.746 ppm2 8.145 CV 1
ASSI { 2305}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 2 and name HN ))
3.700 2.200 2.200 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.91676E-03 ppm1 1.621 ppm2 8.173 CV 1
ASSI { 2309}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 72 and name HE% )
2.600 1.300 1.300 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.81662E-02 ppm1 0.697 ppm2 7.075 CV 1
OR { 2309}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 72 and name HZ ))
ASSI { 2311}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 79 and name HD22))
4.000 2.500 2.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.64689E-03 ppm1 0.529 ppm2 7.017 CV 1
ASSI { 2312}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 53 and name HE22))
3.600 2.100 2.100 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 0.873 ppm2 6.743 CV 1
ASSI { 2313}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 53 and name HE22))
3.600 2.200 2.200 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.10707E-02 ppm1 1.271 ppm2 6.746 CV 1
ASSI { 2314}
(( segid " " and resid 59 and name HG2 ))
( segid " " and resid 17 and name HD% )
3.400 2.000 2.000 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.15594E-02 ppm1 1.131 ppm2 6.656 CV 1
OR { 2314}
(( segid " " and resid 59 and name HG3 ))
( segid " " and resid 17 and name HD% )
ASSI { 2315}
(( segid " " and resid 11 and name HB ))
( segid " " and resid 14 and name HD% )
2.800 1.500 1.500 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.47396E-02 ppm1 1.142 ppm2 6.816 CV 1
ASSI { 2316}
(( segid " " and resid 62 and name HG3 ))
( segid " " and resid 14 and name HD% )
3.400 1.900 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.16559E-02 ppm1 0.911 ppm2 6.816 CV 1
OR { 2316}
(( segid " " and resid 62 and name HG2 ))
( segid " " and resid 14 and name HD% )
ASSI { 2317}
(( segid " " and resid 62 and name HG3 ))
( segid " " and resid 14 and name HE% )
3.500 2.000 2.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.13726E-02 ppm1 0.911 ppm2 6.599 CV 1
OR { 2317}
(( segid " " and resid 62 and name HG2 ))
( segid " " and resid 14 and name HE% )
ASSI { 2318}
(( segid " " and resid 74 and name HG12))
( segid " " and resid 72 and name HE% )
3.200 1.800 1.800 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.23442E-02 ppm1 1.040 ppm2 7.074 CV 1
OR { 2318}
(( segid " " and resid 74 and name HG12))
(( segid " " and resid 72 and name HZ ))
ASSI { 2320}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 17 and name HD% )
3.200 1.800 1.800 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.21648E-02 ppm1 5.517 ppm2 6.656 CV 1
ASSI { 2324}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 14 and name HE% )
4.400 2.900 1.600 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.34864E-03 ppm1 7.622 ppm2 6.599 CV 1
ASSI { 2327}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 17 and name HE% )
3.900 2.400 2.100 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.68148E-03 ppm1 8.391 ppm2 6.455 CV 1
ASSI { 2330}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 14 and name HD% )
3.500 2.000 2.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.13860E-02 ppm1 9.065 ppm2 6.813 CV 1
ASSI { 2331}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 17 and name HD% )
3.300 1.900 1.900 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.18173E-02 ppm1 8.266 ppm2 6.654 CV 1
ASSI { 2332}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 14 and name HE% )
3.200 1.800 1.800 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.24018E-02 ppm1 8.282 ppm2 6.598 CV 1
ASSI { 2334}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 72 and name HD% )
3.100 1.700 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.27498E-02 ppm1 8.743 ppm2 6.985 CV 1
ASSI { 2335}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 72 and name HE% )
3.600 2.100 2.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.11747E-02 ppm1 8.743 ppm2 7.074 CV 1
OR { 2335}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HZ ))
ASSI { 2336}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 17 and name HD% )
3.400 1.900 1.900 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.16469E-02 ppm1 8.700 ppm2 6.654 CV 1
ASSI { 2337}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 17 and name HD% )
4.000 2.500 2.000 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.63515E-03 ppm1 8.591 ppm2 6.652 CV 1
ASSI { 2338}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 14 and name HE% )
3.100 1.700 1.700 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.30231E-02 ppm1 8.545 ppm2 6.596 CV 1
ASSI { 2339}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.400 ppm2 6.596 CV 1
ASSI { 2340}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 14 and name HD% )
4.000 2.500 2.000 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.61936E-03 ppm1 8.394 ppm2 6.814 CV 1
ASSI { 2341}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 17 and name HE% )
3.500 2.000 2.000 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.13685E-02 ppm1 8.690 ppm2 6.452 CV 1
ASSI { 2342}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 17 and name HE% )
3.500 2.000 2.000 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.14434E-02 ppm1 8.591 ppm2 6.454 CV 1
ASSI { 2343}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HD21))
3.200 1.800 1.800 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.21253E-02 ppm1 8.139 ppm2 7.521 CV 1
ASSI { 2344}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 52 and name HN ))
3.700 2.200 2.200 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.10483E-02 ppm1 8.646 ppm2 8.108 CV 1
ASSI { 2346}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 2 and name HN ))
3.000 1.600 1.600 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.35120E-02 ppm1 8.978 ppm2 8.181 CV 1
ASSI { 2347}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 46 and name HN ))
3.100 1.700 1.700 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.26046E-02 ppm1 9.057 ppm2 8.256 CV 1
ASSI { 2348}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HN ))
3.200 1.800 1.800 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.22438E-02 ppm1 8.725 ppm2 7.885 CV 1
ASSI { 2349}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
6.000 5.000 0.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.630 ppm2 7.912 CV 1
ASSI { 2351}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 4 and name HG2%)
2.900 1.600 1.600 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.37896E-02 ppm1 1.520 ppm2 0.555 CV 1
ASSI { 2352}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 4 and name HD1%)
2.800 1.500 1.500 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.55957E-02 ppm1 1.520 ppm2 0.528 CV 1
ASSI { 2355}
( segid " " and resid 8 and name HG2%)
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.128 ppm2 0.553 CV 1
ASSI { 2363}
(( segid " " and resid 51 and name HA1 ))
( segid " " and resid 3 and name HG2%)
3.100 1.700 1.700 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.28374E-02 ppm1 4.259 ppm2 0.865 CV 1
ASSI { 2364}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 3 and name HG2%)
3.000 1.600 1.600 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.33369E-02 ppm1 4.733 ppm2 0.867 CV 1
ASSI { 2365}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 4 and name HD1%)
3.400 2.000 2.000 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.15626E-02 ppm1 4.946 ppm2 0.522 CV 1
ASSI { 2366}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 58 and name HG1%)
3.900 2.400 2.100 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.74340E-03 ppm1 4.946 ppm2 0.737 CV 1
ASSI { 2370}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 46 and name HG1%)
3.500 2.100 2.100 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 5.515 ppm2 0.948 CV 1
ASSI { 2373}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 4 and name HG2%)
4.100 2.600 1.900 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.56235E-03 ppm1 5.110 ppm2 0.555 CV 1
ASSI { 2374}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 4 and name HD1%)
4.400 2.900 1.600 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.33241E-03 ppm1 5.110 ppm2 0.522 CV 1
ASSI { 2375}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 4 and name HD1%)
3.800 2.300 2.200 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.80147E-03 ppm1 5.284 ppm2 0.524 CV 1
ASSI { 2376}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 58 and name HG1%)
4.000 2.500 2.000 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.63729E-03 ppm1 5.284 ppm2 0.736 CV 1
ASSI { 2379}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 81 and name HG2%)
3.600 2.200 2.200 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 5.551 ppm2 0.592 CV 1
ASSI { 2384}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 43 and name HD1%)
6.000 5.000 0.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.663 ppm2 0.635 CV 1
OR { 2384}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 43 and name HD2%)
ASSI { 2385}
(( segid " " and resid 8 and name HB ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.847 ppm2 0.556 CV 1
ASSI { 2386}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 0.555 CV 1
ASSI { 2387}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.673 ppm2 0.530 CV 1
ASSI { 2389}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 49 and name HG2%)
2.900 1.600 1.600 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.38088E-02 ppm1 4.405 ppm2 0.790 CV 1
OR { 2389}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 49 and name HG1%)
ASSI { 2394}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HG3 ))
6.000 5.000 0.000 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.398 ppm2 2.086 CV 1
ASSI { 2396}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 74 and name HB ))
3.800 2.300 2.200 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.84716E-03 ppm1 4.298 ppm2 1.629 CV 1
ASSI { 2397}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HG3 ))
6.000 5.000 0.000 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.046 ppm2 1.863 CV 1
OR { 2397}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 2398}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HB2 ))
6.000 5.000 0.000 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.039 ppm2 2.574 CV 1
OR { 2398}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HB3 ))
ASSI { 2399}
(( segid " " and resid 51 and name HA1 ))
(( segid " " and resid 50 and name HA ))
3.300 1.800 1.800 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.20086E-02 ppm1 4.270 ppm2 3.252 CV 1
ASSI { 2400}
(( segid " " and resid 51 and name HA2 ))
(( segid " " and resid 50 and name HA ))
6.000 5.000 0.000 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.452 ppm2 3.250 CV 1
ASSI { 2401}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
3.000 1.600 1.600 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.34565E-02 ppm1 1.858 ppm2 1.514 CV 1
ASSI { 2402}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HB3 ))
6.000 5.000 0.000 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.096 ppm2 1.514 CV 1
ASSI { 2406}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 75 and name HD1%)
6.000 5.000 0.000 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.610 ppm2 -0.150 CV 1
ASSI { 2408}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 72 and name HN ))
3.500 2.000 2.000 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.14106E-02 ppm1 4.676 ppm2 7.937 CV 1
ASSI { 2409}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.693 ppm2 6.455 CV 1
ASSI { 2410}
(( segid " " and resid 62 and name HD2 ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.316 ppm2 6.597 CV 1
OR { 2410}
(( segid " " and resid 62 and name HD3 ))
( segid " " and resid 14 and name HE% )
ASSI { 2411}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.250 ppm2 6.598 CV 1
ASSI { 2412}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.863 ppm2 6.656 CV 1
OR { 2412}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 17 and name HD% )
ASSI { 2415}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.870 ppm2 8.109 CV 1
ASSI { 2416}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.536 ppm2 8.109 CV 1
OR { 2416}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 52 and name HN ))
ASSI { 2417}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.558 ppm2 6.456 CV 1
ASSI { 2418}
(( segid " " and resid 15 and name HD2 ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.527 ppm2 6.456 CV 1
ASSI { 2419}
( segid " " and resid 65 and name HG2%)
( segid " " and resid 17 and name HE% )
3.000 1.600 1.600 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.34139E-02 ppm1 0.758 ppm2 6.456 CV 1
OR { 2419}
( segid " " and resid 65 and name HG1%)
( segid " " and resid 17 and name HE% )
ASSI { 2420}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HE22))
6.000 5.000 0.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.606 ppm2 6.743 CV 1
ASSI { 2421}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.696 ppm2 6.455 CV 1
ASSI { 2424}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.567 ppm2 6.596 CV 1
OR { 2424}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 14 and name HE% )
ASSI { 2425}
(( segid " " and resid 61 and name HB3 ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.421 ppm2 6.596 CV 1
ASSI { 2426}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.781 ppm2 6.654 CV 1
ASSI { 2427}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.781 ppm2 6.596 CV 1
ASSI { 2428}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 71 and name HN ))
6.000 5.000 0.000 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.852 ppm2 8.290 CV 1
OR { 2428}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 71 and name HN ))
ASSI { 2429}
(( segid " " and resid 36 and name HD3 ))
(( segid " " and resid 35 and name HN ))
3.300 1.900 1.900 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.18764E-02 ppm1 3.528 ppm2 7.971 CV 1
ASSI { 2433}
(( segid " " and resid 72 and name HZ ))
( segid " " and resid 72 and name HD% )
6.000 5.000 0.000 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.076 ppm2 6.986 CV 1
ASSI { 2435}
( segid " " and resid 14 and name HD% )
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.817 ppm2 6.454 CV 1
ASSI { 2437}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.503 ppm2 8.142 CV 1
ASSI { 2438}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 19 and name HN ))
4.600 3.200 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.25705E-03 ppm1 1.595 ppm2 9.839 CV 1
OR { 2438}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 19 and name HN ))
ASSI { 2439}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 17 and name HD% )
2.900 1.600 1.600 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.38921E-02 ppm1 2.725 ppm2 6.655 CV 1
ASSI { 2441}
(( segid " " and resid 15 and name HE2 ))
( segid " " and resid 17 and name HE% )
3.300 1.800 1.800 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.20037E-02 ppm1 2.825 ppm2 6.454 CV 1
OR { 2441}
(( segid " " and resid 15 and name HE3 ))
( segid " " and resid 17 and name HE% )
ASSI { 2444}
( segid " " and resid 65 and name HG2%)
( segid " " and resid 72 and name HE% )
3.400 1.900 1.900 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 0.765 ppm2 7.075 CV 1
OR { 2444}
( segid " " and resid 65 and name HG1%)
( segid " " and resid 72 and name HE% )
OR { 2444}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 72 and name HZ ))
OR { 2444}
( segid " " and resid 65 and name HG1%)
(( segid " " and resid 72 and name HZ ))
ASSI { 2445}
( segid " " and resid 65 and name HG1%)
( segid " " and resid 72 and name HD% )
4.300 2.800 1.700 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.40842E-03 ppm1 0.765 ppm2 6.985 CV 1
OR { 2445}
( segid " " and resid 65 and name HG2%)
( segid " " and resid 72 and name HD% )
ASSI { 2446}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 14 and name HD% )
2.900 1.600 1.600 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.40586E-02 ppm1 1.248 ppm2 6.818 CV 1
ASSI { 2447}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 72 and name HD% )
6.000 5.000 0.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.250 ppm2 6.983 CV 1
ASSI { 2449}
(( segid " " and resid 15 and name HG3 ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.270 ppm2 6.457 CV 1
OR { 2449}
(( segid " " and resid 15 and name HG2 ))
( segid " " and resid 17 and name HE% )
ASSI { 2450}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 52 and name HN ))
6.000 5.000 0.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 8.104 CV 1
ASSI { 2451}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HD22))
6.000 5.000 0.000 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.141 ppm2 6.869 CV 1
ASSI { 2454}
(( segid " " and resid 75 and name HG12))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.470 ppm2 6.656 CV 1
ASSI { 2455}
(( segid " " and resid 75 and name HG12))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.468 ppm2 6.454 CV 1
ASSI { 2459}
(( segid " " and resid 57 and name HB3 ))
( segid " " and resid 58 and name HG2%)
6.000 5.000 0.000 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.607 ppm2 0.676 CV 1
OR { 2459}
(( segid " " and resid 57 and name HB2 ))
( segid " " and resid 58 and name HG2%)
ASSI { 2460}
(( segid " " and resid 6 and name HD3 ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.403 ppm2 0.676 CV 1
ASSI { 2462}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HD21))
6.000 5.000 0.000 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.906 ppm2 7.557 CV 1
ASSI { 2463}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HD21))
6.000 5.000 0.000 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.866 ppm2 7.559 CV 1
ASSI { 2464}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 7 and name HD21))
6.000 5.000 0.000 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.821 ppm2 7.559 CV 1
ASSI { 2465}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.906 ppm2 6.869 CV 1
ASSI { 2466}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.867 ppm2 6.871 CV 1
ASSI { 2467}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.819 ppm2 6.869 CV 1
ASSI { 2470}
( segid " " and resid 58 and name HG1%)
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.738 ppm2 0.532 CV 1
ASSI { 2471}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.683 ppm2 0.532 CV 1
ASSI { 2473}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 48 and name HN ))
4.400 2.900 1.600 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.33775E-03 ppm1 0.548 ppm2 8.029 CV 1
OR { 2473}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 48 and name HN ))
ASSI { 2474}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 49 and name HN ))
6.000 5.000 0.000 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.893 ppm2 7.883 CV 1
ASSI { 2476}
(( segid " " and resid 53 and name HG2 ))
( segid " " and resid 1 and name HB% )
3.900 2.400 2.100 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.69323E-03 ppm1 2.159 ppm2 1.264 CV 1
ASSI { 2477}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 2 and name HG2%)
3.600 2.100 2.100 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.11010E-02 ppm1 2.881 ppm2 1.054 CV 1
ASSI { 2478}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 2 and name HG2%)
6.000 5.000 0.000 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.463 ppm2 1.055 CV 1
ASSI { 2479}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 54 and name HN ))
6.000 5.000 0.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.556 ppm2 8.977 CV 1
ASSI { 2480}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 53 and name HN ))
3.500 2.000 2.000 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.14703E-02 ppm1 0.871 ppm2 8.511 CV 1
ASSI { 2481}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.871 ppm2 9.012 CV 1
ASSI { 2484}
(( segid " " and resid 53 and name HG2 ))
( segid " " and resid 3 and name HG2%)
3.100 1.700 1.700 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.28288E-02 ppm1 2.165 ppm2 0.868 CV 1
ASSI { 2485}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 3 and name HG2%)
6.000 5.000 0.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.792 ppm2 0.868 CV 1
ASSI { 2486}
(( segid " " and resid 5 and name HA2 ))
( segid " " and resid 50 and name HG2%)
6.000 5.000 0.000 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.878 ppm2 0.721 CV 1
ASSI { 2490}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.613 ppm2 6.865 CV 1
ASSI { 2492}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 58 and name HN ))
6.000 5.000 0.000 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.124 ppm2 8.832 CV 1
OR { 2492}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 58 and name HN ))
ASSI { 2495}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 11 and name HD1%)
3.900 2.400 2.100 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.69408E-03 ppm1 2.282 ppm2 0.350 CV 1
ASSI { 2496}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 11 and name HD1%)
6.000 5.000 0.000 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.095 ppm2 0.350 CV 1
ASSI { 2498}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 14 and name HD% )
6.000 5.000 0.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.277 ppm2 6.815 CV 1
ASSI { 2499}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 14 and name HD% )
6.000 5.000 0.000 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.554 ppm2 6.815 CV 1
ASSI { 2500}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 14 and name HD% )
6.000 5.000 0.000 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.585 ppm2 6.815 CV 1
ASSI { 2502}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.658 ppm2 6.599 CV 1
ASSI { 2508}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 14 and name HN ))
6.000 5.000 0.000 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.263 ppm2 7.914 CV 1
OR { 2508}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 14 and name HN ))
ASSI { 2509}
(( segid " " and resid 15 and name HE2 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.827 ppm2 6.656 CV 1
OR { 2509}
(( segid " " and resid 15 and name HE3 ))
( segid " " and resid 17 and name HD% )
ASSI { 2510}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.683 ppm2 6.656 CV 1
ASSI { 2511}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.556 ppm2 6.656 CV 1
ASSI { 2513}
(( segid " " and resid 15 and name HG3 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.268 ppm2 6.654 CV 1
OR { 2513}
(( segid " " and resid 15 and name HG2 ))
( segid " " and resid 17 and name HD% )
ASSI { 2517}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 8 and name HG2%)
6.000 5.000 0.000 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.849 ppm2 1.124 CV 1
ASSI { 2518}
( segid " " and resid 8 and name HG2%)
(( segid " " and resid 4 and name HG12))
6.000 5.000 0.000 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.123 ppm2 0.961 CV 1
ASSI { 2520}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 0.556 CV 1
OR { 2520}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 4 and name HG2%)
ASSI { 2521}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.864 ppm2 0.532 CV 1
OR { 2521}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 4 and name HD1%)
ASSI { 2524}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 59 and name HG2 ))
6.000 5.000 0.000 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.615 ppm2 1.125 CV 1
OR { 2524}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 2526}
(( segid " " and resid 72 and name HB3 ))
( segid " " and resid 46 and name HG1%)
2.800 1.500 1.500 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.47824E-02 ppm1 2.856 ppm2 0.950 CV 1
OR { 2526}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 46 and name HG1%)
ASSI { 2527}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 4 and name HB ))
2.900 1.500 1.500 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.44685E-02 ppm1 3.253 ppm2 1.893 CV 1
ASSI { 2528}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.786 ppm2 6.453 CV 1
ASSI { 2529}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.529 ppm2 6.453 CV 1
ASSI { 2533}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 72 and name HD% )
6.000 5.000 0.000 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.296 ppm2 6.984 CV 1
ASSI { 2534}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 72 and name HE% )
6.000 5.000 0.000 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.304 ppm2 7.079 CV 1
ASSI { 2537}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 46 and name HN ))
6.000 5.000 0.000 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.146 ppm2 8.254 CV 1
ASSI { 2543}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 77 and name HN ))
4.000 2.500 2.000 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.60120E-03 ppm1 2.658 ppm2 8.728 CV 1
ASSI { 2544}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 77 and name HN ))
3.200 1.800 1.800 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.24103E-02 ppm1 2.577 ppm2 8.728 CV 1
ASSI { 2545}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 56 and name HB% )
3.200 1.800 1.800 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.22929E-02 ppm1 4.524 ppm2 1.270 CV 1
ASSI { 2546}
(( segid " " and resid 38 and name HB3 ))
( segid " " and resid 41 and name HB% )
6.000 5.000 0.000 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.577 ppm2 1.271 CV 1
ASSI { 2551}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 79 and name HD22))
6.000 5.000 0.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.659 ppm2 7.016 CV 1
ASSI { 2552}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 77 and name HB% )
3.200 1.800 1.800 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.22375E-02 ppm1 4.531 ppm2 1.224 CV 1
ASSI { 2553}
(( segid " " and resid 36 and name HD3 ))
( segid " " and resid 35 and name HG2%)
2.500 1.300 1.300 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.10737E-01 ppm1 3.521 ppm2 0.782 CV 1
ASSI { 2554}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 43 and name HD1%)
2.500 1.300 1.300 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.99149E-02 ppm1 3.537 ppm2 0.626 CV 1
OR { 2554}
(( segid " " and resid 42 and name HB3 ))
( segid " " and resid 43 and name HD1%)
OR { 2554}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 43 and name HD2%)
ASSI { 2555}
(( segid " " and resid 48 and name HA1 ))
( segid " " and resid 4 and name HD1%)
3.400 1.900 1.900 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.16780E-02 ppm1 3.934 ppm2 0.522 CV 1
ASSI { 2556}
(( segid " " and resid 59 and name HD2 ))
( segid " " and resid 59 and name HZ% )
3.500 2.000 2.000 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 1.450 ppm2 7.584 CV 1
ASSI { 2558}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 81 and name HG2%)
3.700 2.200 2.200 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.97376E-03 ppm1 2.287 ppm2 0.590 CV 1
ASSI { 2559}
(( segid " " and resid 81 and name HB ))
( segid " " and resid 82 and name HB% )
6.000 5.000 0.000 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.948 ppm2 1.219 CV 1
ASSI { 2560}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 56 and name HB% )
6.000 5.000 0.000 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.948 ppm2 1.277 CV 1
ASSI { 2563}
(( segid " " and resid 9 and name HB2 ))
( segid " " and resid 8 and name HG2%)
6.000 5.000 0.000 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.979 ppm2 1.123 CV 1
ASSI { 2571}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HA2 ))
3.500 2.100 2.100 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.12949E-02 ppm1 4.156 ppm2 3.802 CV 1
OR { 2571}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HA1 ))
ASSI { 2575}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 47 and name HA ))
3.900 2.400 2.100 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.65757E-03 ppm1 3.924 ppm2 3.280 CV 1
ASSI { 2577}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HA2 ))
6.000 5.000 0.000 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.951 ppm2 3.645 CV 1
ASSI { 2578}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 72 and name HB2 ))
6.000 5.000 0.000 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.772 ppm2 2.863 CV 1
OR { 2578}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 72 and name HB2 ))
OR { 2578}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 72 and name HB3 ))
ASSI { 2581}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
6.000 5.000 0.000 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.614 ppm2 2.611 CV 1
OR { 2581}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 19 and name HB3 ))
ASSI { 2585}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HB2 ))
6.000 5.000 0.000 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.287 ppm2 2.759 CV 1
ASSI { 2586}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 54 and name HB3 ))
3.700 2.200 2.200 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.10444E-02 ppm1 5.289 ppm2 2.458 CV 1
ASSI { 2588}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HB2 ))
3.600 2.100 2.100 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.11578E-02 ppm1 4.403 ppm2 1.784 CV 1
ASSI { 2589}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HG3 ))
4.000 2.500 2.000 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.63024E-03 ppm1 5.518 ppm2 2.318 CV 1
OR { 2589}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 2591}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 43 and name HG ))
6.000 5.000 0.000 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.653 ppm2 1.383 CV 1
ASSI { 2593}
(( segid " " and resid 36 and name HD3 ))
(( segid " " and resid 35 and name HG12))
6.000 5.000 0.000 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.530 ppm2 1.370 CV 1
ASSI { 2597}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 38 and name HN ))
6.000 5.000 0.000 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.493 ppm2 8.361 CV 1
OR { 2597}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 38 and name HN ))
ASSI { 2600}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HB2 ))
3.600 2.100 2.100 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 4.505 ppm2 1.497 CV 1
OR { 2600}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HB3 ))
ASSI { 2602}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 15 and name HB2 ))
6.000 5.000 0.000 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.468 ppm2 1.546 CV 1
ASSI { 2603}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HB2 ))
6.000 5.000 0.000 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.583 ppm2 1.546 CV 1
ASSI { 2604}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 8 and name HG2%)
6.000 5.000 0.000 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.768 ppm2 1.124 CV 1
ASSI { 2608}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.004 ppm2 8.638 CV 1
ASSI { 2609}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.980 ppm2 8.643 CV 1
ASSI { 2610}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.619 ppm2 8.274 CV 1
ASSI { 2611}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 78 and name HN ))
6.000 5.000 0.000 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.621 ppm2 8.337 CV 1
ASSI { 2613}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.107 ppm2 8.274 CV 1
ASSI { 2614}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 81 and name HN ))
2.900 1.500 1.500 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.42999E-02 ppm1 5.593 ppm2 8.548 CV 1
ASSI { 2615}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 80 and name HN ))
6.000 5.000 0.000 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.593 ppm2 7.619 CV 1
ASSI { 2616}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.593 ppm2 9.051 CV 1
ASSI { 2617}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 15 and name HN ))
6.000 5.000 0.000 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.423 ppm2 8.586 CV 1
ASSI { 2620}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 61 and name HB2 ))
6.000 5.000 0.000 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.550 ppm2 2.906 CV 1
ASSI { 2621}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 80 and name HB2 ))
6.000 5.000 0.000 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.593 ppm2 2.870 CV 1
ASSI { 2622}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 80 and name HB3 ))
6.000 5.000 0.000 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.595 ppm2 2.773 CV 1
ASSI { 2623}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 81 and name HN ))
6.000 5.000 0.000 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.059 ppm2 8.545 CV 1
ASSI { 2624}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 81 and name HB ))
6.000 5.000 0.000 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.796 ppm2 1.945 CV 1
ASSI { 2625}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 81 and name HA ))
6.000 5.000 0.000 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.681 ppm2 4.015 CV 1
ASSI { 2627}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HB2 ))
6.000 5.000 0.000 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.692 ppm2 1.851 CV 1
ASSI { 2631}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 79 and name HN ))
6.000 5.000 0.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.736 ppm2 8.140 CV 1
ASSI { 2632}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HD21))
6.000 5.000 0.000 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.384 ppm2 7.598 CV 1
ASSI { 2633}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 37 and name HN ))
6.000 5.000 0.000 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.975 ppm2 8.143 CV 1
ASSI { 2637}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.026 ppm2 9.066 CV 1
ASSI { 2639}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 2 and name HN ))
4.300 2.800 1.700 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.38450E-03 ppm1 3.649 ppm2 8.180 CV 1
ASSI { 2640}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 2 and name HN ))
6.000 5.000 0.000 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.890 ppm2 8.181 CV 1
ASSI { 2641}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 2 and name HN ))
6.000 5.000 0.000 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.457 ppm2 8.183 CV 1
ASSI { 2642}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 2 and name HN ))
6.000 5.000 0.000 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.943 ppm2 8.183 CV 1
ASSI { 2643}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 53 and name HN ))
4.000 2.500 2.000 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.60697E-03 ppm1 0.779 ppm2 8.513 CV 1
OR { 2643}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 53 and name HN ))
ASSI { 2644}
( segid " " and resid 11 and name HD1%)
(( segid " " and resid 10 and name HN ))
6.000 5.000 0.000 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.350 ppm2 8.520 CV 1
ASSI { 2653}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.419 ppm2 8.106 CV 1
ASSI { 2659}
(( segid " " and resid 6 and name HD3 ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.412 ppm2 0.557 CV 1
ASSI { 2662}
(( segid " " and resid 80 and name HA ))
( segid " " and resid 81 and name HG1%)
6.000 5.000 0.000 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.553 ppm2 0.728 CV 1
ASSI { 2663}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.688 ppm2 0.594 CV 1
ASSI { 2664}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.590 ppm2 9.056 CV 1
ASSI { 2666}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 78 and name HN ))
6.000 5.000 0.000 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.786 ppm2 8.336 CV 1
ASSI { 2667}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HB ))
6.000 5.000 0.000 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.786 ppm2 1.751 CV 1
ASSI { 2669}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HG ))
6.000 5.000 0.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.752 ppm2 1.387 CV 1
ASSI { 2670}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HB ))
6.000 5.000 0.000 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.172 ppm2 1.745 CV 1
ASSI { 2672}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HG12))
6.000 5.000 0.000 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.837 ppm2 1.437 CV 1
ASSI { 2673}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HB ))
6.000 5.000 0.000 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.837 ppm2 1.651 CV 1
ASSI { 2674}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 31 and name HB2 ))
6.000 5.000 0.000 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.796 ppm2 1.443 CV 1
OR { 2674}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 31 and name HB2 ))
OR { 2674}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 31 and name HG ))
OR { 2674}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 31 and name HG ))
ASSI { 2680}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 49 and name HG1%)
6.000 5.000 0.000 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.256 ppm2 0.788 CV 1
OR { 2680}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 49 and name HG2%)
ASSI { 2681}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.111 ppm2 0.526 CV 1
ASSI { 2685}
(( segid " " and resid 6 and name HB2 ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.205 ppm2 0.672 CV 1
ASSI { 2688}
(( segid " " and resid 6 and name HB2 ))
( segid " " and resid 50 and name HG2%)
6.000 5.000 0.000 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.207 ppm2 0.715 CV 1
ASSI { 2689}
(( segid " " and resid 49 and name HB ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.757 ppm2 0.525 CV 1
ASSI { 2691}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 3 and name HG2%)
6.000 5.000 0.000 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.897 ppm2 0.869 CV 1
ASSI { 2702}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 58 and name HG1%)
6.000 5.000 0.000 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.458 ppm2 0.743 CV 1
ASSI { 2707}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 18 and name HB3 ))
6.000 5.000 0.000 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.937 ppm2 2.655 CV 1
ASSI { 2708}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 53 and name HB3 ))
6.000 5.000 0.000 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.166 ppm2 1.615 CV 1
ASSI { 2711}
(( segid " " and resid 81 and name HB ))
( segid " " and resid 11 and name HD1%)
4.400 2.900 1.600 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.34031E-03 ppm1 1.950 ppm2 0.347 CV 1
ASSI { 2714}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 49 and name HG1%)
6.000 5.000 0.000 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.651 ppm2 0.785 CV 1
OR { 2714}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 49 and name HG2%)
ASSI { 2716}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 43 and name HD2%)
6.000 5.000 0.000 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.116 ppm2 0.631 CV 1
OR { 2716}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 43 and name HD1%)
ASSI { 2717}
( segid " " and resid 2 and name HG2%)
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.044 ppm2 0.527 CV 1
ASSI { 2718}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 61 and name HN ))
6.000 5.000 0.000 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.280 ppm2 9.457 CV 1
ASSI { 2719}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 14 and name HB3 ))
6.000 5.000 0.000 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.690 ppm2 2.282 CV 1
ASSI { 2720}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 14 and name HB3 ))
6.000 5.000 0.000 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.399 ppm2 2.282 CV 1
ASSI { 2721}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 14 and name HB3 ))
6.000 5.000 0.000 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.982 ppm2 2.282 CV 1
ASSI { 2723}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 11 and name HG12))
6.000 5.000 0.000 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.284 ppm2 0.749 CV 1
ASSI { 2728}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 53 and name HB3 ))
6.000 5.000 0.000 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.944 ppm2 1.609 CV 1
ASSI { 2729}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HB2 ))
6.000 5.000 0.000 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.111 ppm2 2.611 CV 1
ASSI { 2733}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 58 and name HN ))
6.000 5.000 0.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.285 ppm2 8.832 CV 1
ASSI { 2734}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 57 and name HN ))
6.000 5.000 0.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.283 ppm2 8.336 CV 1
ASSI { 2735}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 14 and name HB2 ))
6.000 5.000 0.000 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.593 ppm2 3.102 CV 1
ASSI { 2736}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 72 and name HB3 ))
6.000 5.000 0.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.522 ppm2 2.861 CV 1
OR { 2736}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 72 and name HB2 ))
ASSI { 2738}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HB3 ))
6.000 5.000 0.000 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.518 ppm2 1.955 CV 1
ASSI { 2739}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.516 ppm2 2.062 CV 1
ASSI { 2741}
(( segid " " and resid 59 and name HD3 ))
( segid " " and resid 59 and name HZ% )
6.000 5.000 0.000 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.556 ppm2 7.587 CV 1
ASSI { 2742}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HZ% )
6.000 5.000 0.000 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.598 ppm2 7.585 CV 1
OR { 2742}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HZ% )
ASSI { 2743}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 80 and name HN ))
3.800 2.300 2.200 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.81257E-03 ppm1 3.664 ppm2 7.621 CV 1
ASSI { 2746}
(( segid " " and resid 61 and name HB3 ))
( segid " " and resid 14 and name HD% )
6.000 5.000 0.000 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.430 ppm2 6.815 CV 1
ASSI { 2747}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 14 and name HD% )
6.000 5.000 0.000 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.904 ppm2 6.815 CV 1
ASSI { 2752}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 17 and name HE% )
6.000 5.000 0.000 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.967 ppm2 6.459 CV 1
ASSI { 2753}
(( segid " " and resid 48 and name HA1 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.936 ppm2 6.655 CV 1
ASSI { 2754}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.938 ppm2 9.055 CV 1
ASSI { 2761}
(( segid " " and resid 62 and name HD2 ))
( segid " " and resid 14 and name HD% )
6.000 5.000 0.000 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.320 ppm2 6.816 CV 1
OR { 2761}
(( segid " " and resid 62 and name HD3 ))
( segid " " and resid 14 and name HD% )
ASSI { 2762}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.090 ppm2 0.593 CV 1
ASSI { 2763}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 58 and name HG1%)
6.000 5.000 0.000 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.948 ppm2 0.742 CV 1
ASSI { 2766}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HA ))
6.000 5.000 0.000 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.842 ppm2 3.249 CV 1
ASSI { 2768}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 4 and name HD1%)
3.500 2.000 2.000 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.14396E-02 ppm1 2.957 ppm2 0.529 CV 1
ASSI { 2770}
(( segid " " and resid 43 and name HG ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.391 ppm2 0.530 CV 1
ASSI { 2771}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.599 ppm2 0.528 CV 1
ASSI { 2775}
(( segid " " and resid 61 and name HB3 ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.427 ppm2 0.525 CV 1
ASSI { 2777}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 61 and name HN ))
6.000 5.000 0.000 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.588 ppm2 9.460 CV 1
ASSI { 2778}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 61 and name HN ))
6.000 5.000 0.000 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.089 ppm2 9.462 CV 1
ASSI { 2779}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.511 ppm2 0.593 CV 1
ASSI { 2780}
(( segid " " and resid 75 and name HB ))
(( segid " " and resid 75 and name HG12))
6.000 5.000 0.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.305 ppm2 0.473 CV 1
ASSI { 2783}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 11 and name HG12))
6.000 5.000 0.000 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.075 ppm2 0.747 CV 1
ASSI { 2784}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 37 and name HG2%)
6.000 5.000 0.000 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.511 ppm2 0.783 CV 1
OR { 2784}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 37 and name HG1%)
ASSI { 2787}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 4 and name HG12))
6.000 5.000 0.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.256 ppm2 0.951 CV 1
ASSI { 2788}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 46 and name HG1%)
6.000 5.000 0.000 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.284 ppm2 0.948 CV 1
ASSI { 2797}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 42 and name HN ))
3.600 2.100 2.100 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 1.264 ppm2 8.086 CV 1
ASSI { 2798}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 72 and name HN ))
3.500 2.000 2.000 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.14095E-02 ppm1 2.742 ppm2 7.936 CV 1
ASSI { 2799}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 72 and name HN ))
3.500 2.000 2.000 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.13493E-02 ppm1 2.632 ppm2 7.935 CV 1
ASSI { 2800}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 14 and name HN ))
6.000 5.000 0.000 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.572 ppm2 7.915 CV 1
OR { 2800}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 14 and name HN ))
ASSI { 2802}
( segid " " and resid 46 and name HG1%)
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.946 ppm2 9.059 CV 1
ASSI { 2803}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.108 ppm2 6.598 CV 1
ASSI { 2805}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 14 and name HE% )
6.000 5.000 0.000 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.901 ppm2 6.598 CV 1
ASSI { 2808}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 50 and name HN ))
6.000 5.000 0.000 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.553 ppm2 8.719 CV 1
ASSI { 2809}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 49 and name HN ))
6.000 5.000 0.000 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.553 ppm2 7.883 CV 1
ASSI { 2810}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.553 ppm2 7.566 CV 1
ASSI { 2811}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.595 ppm2 6.657 CV 1
OR { 2811}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 17 and name HD% )
ASSI { 2820}
( segid " " and resid 46 and name HG1%)
(( segid " " and resid 72 and name HN ))
6.000 5.000 0.000 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.947 ppm2 7.933 CV 1
ASSI { 2821}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 65 and name HN ))
6.000 5.000 0.000 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.048 ppm2 7.894 CV 1
ASSI { 2827}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 52 and name HN ))
3.200 1.800 1.800 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 1.893 ppm2 8.107 CV 1
ASSI { 2833}
( segid " " and resid 56 and name HB% )
(( segid " " and resid 20 and name HE21))
6.000 5.000 0.000 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.271 ppm2 7.561 CV 1
ASSI { 2842}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 5 and name HN ))
6.000 5.000 0.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.603 ppm2 8.881 CV 1
ASSI { 2846}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 65 and name HN ))
6.000 5.000 0.000 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.445 ppm2 7.890 CV 1
ASSI { 2849}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HA ))
6.000 5.000 0.000 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.515 ppm2 3.656 CV 1
ASSI { 2856}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 50 and name HG12))
6.000 5.000 0.000 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.645 ppm2 1.435 CV 1
ASSI { 2857}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 44 and name HA2 ))
6.000 5.000 0.000 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.610 ppm2 3.421 CV 1
ASSI { 1217}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 17 and name HN ))
3.500 2.000 2.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.13403E-02 ppm1 0.684 ppm2 9.455 CV 1
OR { 1217}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 17 and name HN ))
OR { 1217}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 61 and name HN ))
ASSI { 1218}
( segid " " and resid 58 and name HG1%)
(( segid " " and resid 17 and name HN ))
4.500 3.000 1.500 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.30210E-03 ppm1 0.740 ppm2 9.455 CV 1
OR { 1218}
(( segid " " and resid 11 and name HG12))
(( segid " " and resid 61 and name HN ))
OR { 1218}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 61 and name HN ))
ASSI { 1278}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 72 and name HE% )
3.500 2.000 2.000 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 0.848 ppm2 7.076 CV 1
OR { 1278}
(( segid " " and resid 75 and name HG13))
( segid " " and resid 72 and name HE% )
OR { 1278}
(( segid " " and resid 75 and name HG13))
(( segid " " and resid 72 and name HZ ))
ASSI { 1340}
(( segid " " and resid 60 and name HB2 ))
( segid " " and resid 14 and name HE% )
3.100 1.700 1.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.27370E-02 ppm1 2.802 ppm2 6.597 CV 1
OR { 1340}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 14 and name HE% )
ASSI { 1767}
( segid " " and resid 47 and name HG1%)
( segid " " and resid 17 and name HE% )
2.600 1.300 1.300 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.79955E-02 ppm1 0.848 ppm2 6.457 CV 1
OR { 1767}
(( segid " " and resid 75 and name HG13))
( segid " " and resid 17 and name HE% )
ASSI { 1770}
( segid " " and resid 47 and name HG1%)
( segid " " and resid 17 and name HD% )
2.600 1.400 1.400 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.72034E-02 ppm1 0.848 ppm2 6.655 CV 1
OR { 1770}
( segid " " and resid 46 and name HG2%)
( segid " " and resid 17 and name HD% )
ASSI { 1771}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 17 and name HD% )
3.300 1.900 1.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.18318E-02 ppm1 2.090 ppm2 6.657 CV 1
OR { 1771}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 17 and name HD% )
ASSI { 1812}
( segid " " and resid 11 and name HD1%)
(( segid " " and resid 81 and name HN ))
3.600 2.100 2.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.12402E-02 ppm1 0.351 ppm2 8.547 CV 1
OR { 1812}
( segid " " and resid 11 and name HD1%)
(( segid " " and resid 9 and name HN ))
ASSI { 1814}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 14 and name HD% )
3.100 1.700 1.700 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.28865E-02 ppm1 4.029 ppm2 6.814 CV 1
OR { 1814}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HD22))
ASSI { 1815}
(( segid " " and resid 81 and name HA ))
( segid " " and resid 14 and name HE% )
3.300 1.800 1.800 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.20741E-02 ppm1 4.029 ppm2 6.598 CV 1
OR { 1815}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 14 and name HE% )
ASSI { 1816}
( segid " " and resid 56 and name HB% )
(( segid " " and resid 55 and name HN ))
2.900 1.600 1.600 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.39070E-02 ppm1 1.269 ppm2 9.547 CV 1
OR { 1816}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 55 and name HN ))
ASSI { 2045}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 47 and name HB ))
6.000 5.000 0.000 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.937 ppm2 1.754 CV 1
OR { 2045}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 49 and name HB ))
ASSI { 2046}
(( segid " " and resid 48 and name HA1 ))
( segid " " and resid 47 and name HG2%)
6.000 5.000 0.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.937 ppm2 0.667 CV 1
OR { 2046}
(( segid " " and resid 48 and name HA1 ))
( segid " " and resid 58 and name HG2%)
ASSI { 2047}
(( segid " " and resid 48 and name HA2 ))
( segid " " and resid 47 and name HG1%)
2.500 1.300 1.300 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.11104E-01 ppm1 2.656 ppm2 0.845 CV 1
OR { 2047}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 46 and name HG2%)
OR { 2047}
(( segid " " and resid 48 and name HA2 ))
( segid " " and resid 46 and name HG2%)
ASSI { 2251}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 19 and name HN ))
3.600 2.100 2.100 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.11023E-02 ppm1 0.647 ppm2 9.841 CV 1
OR { 2251}
( segid " " and resid 43 and name HD2%)
(( segid " " and resid 19 and name HN ))
OR { 2251}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 19 and name HN ))
ASSI { 2253}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 51 and name HN ))
2.600 1.400 1.400 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.72205E-02 ppm1 0.545 ppm2 9.013 CV 1
OR { 2253}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 59 and name HN ))
OR { 2253}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 51 and name HN ))
ASSI { 2254}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 17 and name HN ))
3.800 2.300 2.200 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.84993E-03 ppm1 1.120 ppm2 9.456 CV 1
OR { 2254}
(( segid " " and resid 59 and name HG3 ))
(( segid " " and resid 17 and name HN ))
OR { 2254}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 61 and name HN ))
OR { 2254}
( segid " " and resid 8 and name HG2%)
(( segid " " and resid 17 and name HN ))
ASSI { 2258}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 18 and name HN ))
2.900 1.600 1.600 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.38174E-02 ppm1 0.854 ppm2 9.063 CV 1
OR { 2258}
( segid " " and resid 47 and name HG1%)
(( segid " " and resid 18 and name HN ))
ASSI { 2261}
( segid " " and resid 75 and name HG2%)
( segid " " and resid 17 and name HD% )
3.200 1.800 1.800 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.24360E-02 ppm1 0.529 ppm2 6.654 CV 1
OR { 2261}
( segid " " and resid 4 and name HD1%)
( segid " " and resid 17 and name HD% )
ASSI { 2265}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 80 and name HN ))
3.100 1.700 1.700 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.27306E-02 ppm1 1.234 ppm2 7.618 CV 1
OR { 2265}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 80 and name HN ))
ASSI { 2268}
(( segid " " and resid 67 and name HB3 ))
( segid " " and resid 68 and name HG2%)
3.100 1.700 1.700 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.30551E-02 ppm1 2.630 ppm2 1.051 CV 1
OR { 2268}
(( segid " " and resid 67 and name HB3 ))
( segid " " and resid 66 and name HG2%)
OR { 2268}
(( segid " " and resid 64 and name HB2 ))
( segid " " and resid 66 and name HG2%)
ASSI { 2269}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 75 and name HD1%)
3.200 1.800 1.800 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.22097E-02 ppm1 0.689 ppm2 -0.150 CV 1
OR { 2269}
( segid " " and resid 73 and name HD2%)
( segid " " and resid 75 and name HD1%)
ASSI { 2270}
( segid " " and resid 43 and name HD1%)
( segid " " and resid 75 and name HD1%)
3.300 1.900 1.900 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.17631E-02 ppm1 0.650 ppm2 -0.150 CV 1
OR { 2270}
( segid " " and resid 43 and name HD2%)
( segid " " and resid 75 and name HD1%)
OR { 2270}
( segid " " and resid 47 and name HG2%)
( segid " " and resid 75 and name HD1%)
ASSI { 2273}
(( segid " " and resid 43 and name HG ))
( segid " " and resid 75 and name HD1%)
3.800 2.300 2.200 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.77649E-03 ppm1 1.385 ppm2 -0.150 CV 1
OR { 2273}
(( segid " " and resid 74 and name HG13))
( segid " " and resid 75 and name HD1%)
ASSI { 2274}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 75 and name HD1%)
3.200 1.800 1.800 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.24318E-02 ppm1 2.504 ppm2 -0.153 CV 1
OR { 2274}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 75 and name HD1%)
ASSI { 2282}
(( segid " " and resid 16 and name HD3 ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.458 ppm2 0.557 CV 1
OR { 2282}
(( segid " " and resid 51 and name HA2 ))
( segid " " and resid 4 and name HG2%)
ASSI { 2286}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 2 and name HG2%)
3.100 1.700 1.700 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.26495E-02 ppm1 1.884 ppm2 1.054 CV 1
OR { 2286}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 2 and name HG2%)
ASSI { 2289}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.896 ppm2 0.522 CV 1
OR { 2289}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 4 and name HD1%)
ASSI { 2295}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 18 and name HN ))
3.400 1.900 1.900 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.16595E-02 ppm1 5.517 ppm2 9.062 CV 1
OR { 2295}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 18 and name HN ))
ASSI { 2302}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 14 and name HD% )
2.800 1.500 1.500 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.54548E-02 ppm1 4.249 ppm2 6.814 CV 1
OR { 2302}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 14 and name HD% )
ASSI { 2307}
( segid " " and resid 74 and name HG2%)
( segid " " and resid 72 and name HE% )
3.600 2.100 2.100 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 0.629 ppm2 7.074 CV 1
OR { 2307}
( segid " " and resid 73 and name HD1%)
( segid " " and resid 72 and name HE% )
OR { 2307}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 72 and name HZ ))
OR { 2307}
( segid " " and resid 43 and name HD2%)
( segid " " and resid 72 and name HE% )
ASSI { 2308}
( segid " " and resid 73 and name HD1%)
( segid " " and resid 72 and name HD% )
3.600 2.100 2.100 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.11817E-02 ppm1 0.629 ppm2 6.982 CV 1
OR { 2308}
( segid " " and resid 74 and name HG2%)
( segid " " and resid 72 and name HD% )
ASSI { 2310}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 72 and name HD% )
3.300 1.800 1.800 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.20971E-02 ppm1 0.697 ppm2 6.982 CV 1
OR { 2310}
( segid " " and resid 73 and name HD2%)
( segid " " and resid 72 and name HD% )
ASSI { 2319}
(( segid " " and resid 74 and name HG12))
( segid " " and resid 72 and name HD% )
4.100 2.600 1.900 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.53054E-03 ppm1 1.044 ppm2 6.987 CV 1
OR { 2319}
( segid " " and resid 68 and name HG2%)
( segid " " and resid 72 and name HD% )
ASSI { 2323}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 14 and name HE% )
4.400 2.900 1.600 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.36017E-03 ppm1 7.461 ppm2 6.599 CV 1
OR { 2323}
(( segid " " and resid 79 and name HD21))
( segid " " and resid 14 and name HE% )
ASSI { 2326}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 17 and name HE% )
3.500 2.000 2.000 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 8.269 ppm2 6.454 CV 1
OR { 2326}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 17 and name HE% )
ASSI { 2328}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HE% )
3.800 2.300 2.200 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.79016E-03 ppm1 9.065 ppm2 6.454 CV 1
OR { 2328}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 17 and name HE% )
ASSI { 2329}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HD% )
2.800 1.500 1.500 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.53823E-02 ppm1 9.055 ppm2 6.655 CV 1
OR { 2329}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 17 and name HD% )
ASSI { 2333}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 72 and name HD% )
3.900 2.400 2.100 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.73742E-03 ppm1 8.279 ppm2 6.985 CV 1
OR { 2333}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 72 and name HD% )
ASSI { 2353}
( segid " " and resid 8 and name HG2%)
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.128 ppm2 0.528 CV 1
OR { 2353}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 75 and name HG2%)
ASSI { 2357}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 26 and name HB% )
2.700 1.400 1.400 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.61124E-02 ppm1 1.794 ppm2 1.264 CV 1
OR { 2357}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 1 and name HB% )
ASSI { 2358}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 43 and name HD2%)
2.500 1.300 1.300 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.93640E-02 ppm1 2.751 ppm2 0.634 CV 1
OR { 2358}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 43 and name HD1%)
OR { 2358}
(( segid " " and resid 80 and name HB3 ))
( segid " " and resid 43 and name HD1%)
OR { 2358}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 73 and name HD1%)
OR { 2358}
(( segid " " and resid 80 and name HB3 ))
( segid " " and resid 43 and name HD2%)
ASSI { 2359}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 43 and name HD2%)
2.900 1.500 1.500 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.43105E-02 ppm1 2.520 ppm2 0.633 CV 1
OR { 2359}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 43 and name HD1%)
OR { 2359}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 73 and name HD1%)
ASSI { 2360}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 4 and name HD1%)
2.400 1.200 1.200 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.12558E-01 ppm1 2.651 ppm2 0.525 CV 1
OR { 2360}
(( segid " " and resid 76 and name HB3 ))
( segid " " and resid 75 and name HG2%)
ASSI { 2361}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 4 and name HG12))
3.400 2.000 2.000 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 2.651 ppm2 0.949 CV 1
OR { 2361}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 46 and name HG1%)
OR { 2361}
(( segid " " and resid 48 and name HA2 ))
( segid " " and resid 46 and name HG1%)
ASSI { 2362}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 3 and name HG2%)
2.800 1.500 1.500 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.48528E-02 ppm1 4.402 ppm2 0.867 CV 1
OR { 2362}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 75 and name HG13))
ASSI { 2367}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 1 and name HB% )
6.000 5.000 0.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.939 ppm2 1.271 CV 1
OR { 2367}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 56 and name HB% )
ASSI { 2368}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 46 and name HG2%)
3.500 2.000 2.000 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.13717E-02 ppm1 5.284 ppm2 0.850 CV 1
OR { 2368}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 47 and name HG1%)
ASSI { 2369}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 46 and name HG2%)
3.200 1.800 1.800 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.22161E-02 ppm1 5.515 ppm2 0.848 CV 1
OR { 2369}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 75 and name HG13))
ASSI { 2371}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 43 and name HB2 ))
3.800 2.300 2.200 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.82367E-03 ppm1 5.519 ppm2 1.124 CV 1
OR { 2371}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 59 and name HG3 ))
OR { 2371}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 59 and name HG2 ))
OR { 2371}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 59 and name HG3 ))
ASSI { 2372}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 43 and name HD2%)
6.000 5.000 0.000 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.522 ppm2 0.633 CV 1
OR { 2372}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 43 and name HD1%)
OR { 2372}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 73 and name HD1%)
ASSI { 2377}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 56 and name HB% )
4.200 2.700 1.800 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.45347E-03 ppm1 5.291 ppm2 1.280 CV 1
OR { 2377}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 4 and name HG13))
ASSI { 2380}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 4 and name HD1%)
3.200 1.800 1.800 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.21606E-02 ppm1 4.548 ppm2 0.528 CV 1
OR { 2380}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 4 and name HD1%)
ASSI { 2381}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 4 and name HD1%)
3.600 2.200 2.200 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.10696E-02 ppm1 4.612 ppm2 0.530 CV 1
OR { 2381}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 75 and name HG2%)
ASSI { 2382}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 43 and name HD2%)
2.900 1.600 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.38344E-02 ppm1 4.405 ppm2 0.633 CV 1
OR { 2382}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 43 and name HD1%)
OR { 2382}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 74 and name HG2%)
ASSI { 2383}
(( segid " " and resid 69 and name HA2 ))
( segid " " and resid 73 and name HD1%)
6.000 5.000 0.000 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.736 ppm2 0.634 CV 1
OR { 2383}
(( segid " " and resid 69 and name HA2 ))
( segid " " and resid 74 and name HG2%)
OR { 2383}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 43 and name HD1%)
OR { 2383}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 43 and name HD1%)
OR { 2383}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 43 and name HD2%)
OR { 2383}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 43 and name HD2%)
OR { 2383}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 73 and name HD1%)
OR { 2383}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 73 and name HD1%)
OR { 2383}
(( segid " " and resid 69 and name HA2 ))
( segid " " and resid 43 and name HD2%)
OR { 2383}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 74 and name HG2%)
ASSI { 2388}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HG3 ))
4.000 2.500 2.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.65116E-03 ppm1 4.615 ppm2 1.124 CV 1
OR { 2388}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HB2 ))
OR { 2388}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HG2 ))
ASSI { 2390}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 74 and name HD1%)
3.000 1.600 1.600 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.35718E-02 ppm1 4.402 ppm2 0.697 CV 1
OR { 2390}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 73 and name HD2%)
ASSI { 2391}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 68 and name HG2%)
3.100 1.700 1.700 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.30615E-02 ppm1 4.690 ppm2 1.055 CV 1
OR { 2391}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 66 and name HG2%)
ASSI { 2392}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 1 and name HB% )
3.100 1.700 1.700 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.25705E-02 ppm1 4.398 ppm2 1.271 CV 1
OR { 2392}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 56 and name HB% )
ASSI { 2393}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HB2 ))
6.000 5.000 0.000 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.398 ppm2 2.167 CV 1
OR { 2393}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HB2 ))
OR { 2393}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HG2 ))
ASSI { 2395}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 43 and name HB3 ))
3.900 2.400 2.100 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.69643E-03 ppm1 4.405 ppm2 1.610 CV 1
OR { 2395}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HB3 ))
OR { 2395}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 74 and name HB ))
ASSI { 2403}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 8 and name HG2%)
6.000 5.000 0.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.873 ppm2 1.124 CV 1
OR { 2403}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 59 and name HG3 ))
OR { 2403}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 8 and name HG2%)
ASSI { 2404}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 73 and name HD2%)
2.700 1.400 1.400 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.68725E-02 ppm1 2.502 ppm2 0.694 CV 1
OR { 2404}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 58 and name HG2%)
OR { 2404}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 74 and name HD1%)
OR { 2404}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 50 and name HD1%)
OR { 2404}
(( segid " " and resid 9 and name HB3 ))
( segid " " and resid 58 and name HG2%)
OR { 2404}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 58 and name HG2%)
ASSI { 2405}
(( segid " " and resid 43 and name HB3 ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.628 ppm2 0.531 CV 1
OR { 2405}
(( segid " " and resid 74 and name HB ))
( segid " " and resid 75 and name HG2%)
ASSI { 2407}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 69 and name HN ))
3.200 1.800 1.800 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.23228E-02 ppm1 4.690 ppm2 8.446 CV 1
OR { 2407}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 69 and name HN ))
ASSI { 2413}
(( segid " " and resid 74 and name HG13))
( segid " " and resid 72 and name HE% )
6.000 5.000 0.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.372 ppm2 7.075 CV 1
OR { 2413}
(( segid " " and resid 73 and name HG ))
( segid " " and resid 72 and name HE% )
OR { 2413}
(( segid " " and resid 74 and name HG13))
(( segid " " and resid 72 and name HZ ))
ASSI { 2414}
(( segid " " and resid 73 and name HG ))
( segid " " and resid 72 and name HD% )
6.000 5.000 0.000 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.378 ppm2 6.984 CV 1
OR { 2414}
(( segid " " and resid 74 and name HG13))
( segid " " and resid 72 and name HD% )
ASSI { 2422}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD22))
6.000 5.000 0.000 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.195 ppm2 6.865 CV 1
OR { 2422}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 67 and name HD22))
OR { 2422}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HD22))
ASSI { 2423}
(( segid " " and resid 79 and name HB3 ))
( segid " " and resid 14 and name HE% )
3.000 1.600 1.600 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.36145E-02 ppm1 2.727 ppm2 6.598 CV 1
OR { 2423}
(( segid " " and resid 62 and name HE2 ))
( segid " " and resid 14 and name HE% )
OR { 2423}
(( segid " " and resid 62 and name HE3 ))
( segid " " and resid 14 and name HE% )
ASSI { 2430}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 54 and name HN ))
6.000 5.000 0.000 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 8.978 CV 1
OR { 2430}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 54 and name HN ))
ASSI { 2434}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 81 and name HN ))
6.000 5.000 0.000 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.403 ppm2 8.548 CV 1
OR { 2434}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 9 and name HN ))
ASSI { 2436}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 61 and name HN ))
4.600 3.100 1.400 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.27007E-03 ppm1 -0.149 ppm2 9.456 CV 1
OR { 2436}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 17 and name HN ))
ASSI { 2440}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 17 and name HE% )
3.700 2.200 2.200 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.96223E-03 ppm1 2.728 ppm2 6.452 CV 1
OR { 2440}
(( segid " " and resid 79 and name HB3 ))
( segid " " and resid 17 and name HE% )
ASSI { 2442}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 14 and name HE% )
3.700 2.200 2.200 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.10451E-02 ppm1 4.256 ppm2 6.597 CV 1
OR { 2442}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 14 and name HE% )
ASSI { 2443}
( segid " " and resid 65 and name HG2%)
( segid " " and resid 17 and name HD% )
3.500 2.000 2.000 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.13952E-02 ppm1 0.757 ppm2 6.653 CV 1
OR { 2443}
( segid " " and resid 58 and name HG1%)
( segid " " and resid 17 and name HD% )
OR { 2443}
( segid " " and resid 65 and name HG1%)
( segid " " and resid 17 and name HD% )
ASSI { 2457}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 47 and name HG2%)
3.200 1.800 1.800 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.23057E-02 ppm1 2.092 ppm2 0.672 CV 1
OR { 2457}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 47 and name HG2%)
ASSI { 2461}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.839 ppm2 0.672 CV 1
OR { 2461}
(( segid " " and resid 8 and name HB ))
( segid " " and resid 58 and name HG2%)
OR { 2461}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 47 and name HG2%)
ASSI { 2469}
(( segid " " and resid 4 and name HG13))
( segid " " and resid 58 and name HG1%)
6.000 5.000 0.000 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.270 ppm2 0.736 CV 1
OR { 2469}
(( segid " " and resid 4 and name HG13))
( segid " " and resid 50 and name HG2%)
ASSI { 2472}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 58 and name HG1%)
6.000 5.000 0.000 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.768 ppm2 0.736 CV 1
OR { 2472}
(( segid " " and resid 2 and name HB ))
( segid " " and resid 58 and name HG1%)
ASSI { 2475}
(( segid " " and resid 53 and name HG3 ))
( segid " " and resid 1 and name HB% )
2.800 1.500 1.500 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.49061E-02 ppm1 2.087 ppm2 1.267 CV 1
OR { 2475}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 2488}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.196 ppm2 7.558 CV 1
OR { 2488}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD21))
ASSI { 2489}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HD21))
6.000 5.000 0.000 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.616 ppm2 7.559 CV 1
OR { 2489}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HD21))
OR { 2489}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
ASSI { 2491}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.848 ppm2 0.524 CV 1
OR { 2491}
(( segid " " and resid 8 and name HB ))
( segid " " and resid 4 and name HD1%)
ASSI { 2493}
( segid " " and resid 8 and name HG2%)
( segid " " and resid 58 and name HG2%)
6.000 5.000 0.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.127 ppm2 0.683 CV 1
OR { 2493}
(( segid " " and resid 59 and name HG3 ))
( segid " " and resid 58 and name HG2%)
OR { 2493}
(( segid " " and resid 59 and name HG2 ))
( segid " " and resid 58 and name HG2%)
OR { 2493}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 74 and name HD1%)
ASSI { 2506}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 61 and name HN ))
3.900 2.400 2.100 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.75919E-03 ppm1 1.270 ppm2 9.464 CV 1
OR { 2506}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 61 and name HN ))
OR { 2506}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 17 and name HN ))
OR { 2506}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 17 and name HN ))
ASSI { 2507}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 61 and name HN ))
6.000 5.000 0.000 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.556 ppm2 9.455 CV 1
OR { 2507}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 17 and name HN ))
OR { 2507}
(( segid " " and resid 59 and name HD3 ))
(( segid " " and resid 17 and name HN ))
ASSI { 2512}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.528 ppm2 6.656 CV 1
OR { 2512}
(( segid " " and resid 15 and name HD2 ))
( segid " " and resid 17 and name HD% )
ASSI { 2514}
(( segid " " and resid 15 and name HD3 ))
( segid " " and resid 47 and name HG1%)
6.000 5.000 0.000 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.556 ppm2 0.846 CV 1
OR { 2514}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 47 and name HG1%)
OR { 2514}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 62 and name HB2 ))
ASSI { 2515}
(( segid " " and resid 15 and name HD2 ))
( segid " " and resid 47 and name HG1%)
6.000 5.000 0.000 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.528 ppm2 0.846 CV 1
OR { 2515}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 47 and name HG1%)
OR { 2515}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 62 and name HB2 ))
ASSI { 2516}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 8 and name HG2%)
6.000 5.000 0.000 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.898 ppm2 1.124 CV 1
OR { 2516}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 59 and name HG3 ))
OR { 2516}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 8 and name HG2%)
ASSI { 2519}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 48 and name HN ))
4.000 2.500 2.000 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.57644E-03 ppm1 1.893 ppm2 8.030 CV 1
OR { 2519}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 48 and name HN ))
ASSI { 2522}
(( segid " " and resid 48 and name HA2 ))
(( segid " " and resid 16 and name HG2 ))
6.000 5.000 0.000 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.661 ppm2 2.091 CV 1
OR { 2522}
(( segid " " and resid 48 and name HA2 ))
(( segid " " and resid 46 and name HB ))
OR { 2522}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 46 and name HB ))
ASSI { 2523}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HB3 ))
6.000 5.000 0.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.662 ppm2 1.516 CV 1
OR { 2523}
(( segid " " and resid 48 and name HA2 ))
(( segid " " and resid 16 and name HB3 ))
OR { 2523}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 32 and name HB2 ))
OR { 2523}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HB2 ))
OR { 2523}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HB2 ))
OR { 2523}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 16 and name HB3 ))
ASSI { 2525}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 59 and name HB3 ))
3.400 1.900 1.900 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.16136E-02 ppm1 2.616 ppm2 1.611 CV 1
OR { 2525}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 59 and name HB2 ))
OR { 2525}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 2530}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 17 and name HE% )
4.700 3.200 1.300 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.23634E-03 ppm1 1.145 ppm2 6.454 CV 1
OR { 2530}
(( segid " " and resid 11 and name HB ))
( segid " " and resid 17 and name HE% )
ASSI { 2547}
(( segid " " and resid 76 and name HB2 ))
( segid " " and resid 78 and name HB% )
6.000 5.000 0.000 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.577 ppm2 1.235 CV 1
OR { 2547}
(( segid " " and resid 76 and name HB2 ))
( segid " " and resid 77 and name HB% )
ASSI { 2549}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 79 and name HD21))
3.600 2.100 2.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.11172E-02 ppm1 2.579 ppm2 7.440 CV 1
OR { 2549}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 11 and name HN ))
OR { 2549}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 11 and name HN ))
ASSI { 2550}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 11 and name HG2%)
6.000 5.000 0.000 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.578 ppm2 0.756 CV 1
OR { 2550}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 11 and name HG2%)
OR { 2550}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 32 and name HD1%)
OR { 2550}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 34 and name HD1%)
OR { 2550}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 11 and name HG12))
ASSI { 2557}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 58 and name HG1%)
6.000 5.000 0.000 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.886 ppm2 0.740 CV 1
OR { 2557}
(( segid " " and resid 80 and name HB2 ))
( segid " " and resid 81 and name HG1%)
ASSI { 2562}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 59 and name HG2 ))
6.000 5.000 0.000 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.889 ppm2 1.122 CV 1
OR { 2562}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 59 and name HG2 ))
OR { 2562}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 59 and name HG3 ))
OR { 2562}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 59 and name HG3 ))
OR { 2562}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 59 and name HG3 ))
OR { 2562}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 2564}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 46 and name HG2%)
6.000 5.000 0.000 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.501 ppm2 0.845 CV 1
OR { 2564}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 75 and name HG13))
OR { 2564}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 46 and name HG2%)
OR { 2564}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 47 and name HG1%)
ASSI { 2565}
(( segid " " and resid 72 and name HB3 ))
( segid " " and resid 46 and name HG2%)
6.000 5.000 0.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.853 ppm2 0.847 CV 1
OR { 2565}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 46 and name HG2%)
OR { 2565}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 62 and name HB2 ))
ASSI { 2566}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 46 and name HG1%)
6.000 5.000 0.000 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.939 ppm2 0.948 CV 1
OR { 2566}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 4 and name HG12))
ASSI { 2567}
(( segid " " and resid 69 and name HA2 ))
(( segid " " and resid 70 and name HB2 ))
6.000 5.000 0.000 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.733 ppm2 2.747 CV 1
OR { 2567}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 22 and name HG3 ))
OR { 2567}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 22 and name HG3 ))
OR { 2567}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HG3 ))
OR { 2567}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HG3 ))
ASSI { 2568}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 19 and name HB2 ))
6.000 5.000 0.000 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.610 ppm2 2.768 CV 1
OR { 2568}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 19 and name HB2 ))
OR { 2568}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 59 and name HE2 ))
ASSI { 2570}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 71 and name HB3 ))
6.000 5.000 0.000 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.736 ppm2 3.775 CV 1
OR { 2570}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 71 and name HB2 ))
OR { 2570}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 3 and name HB ))
ASSI { 2573}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HA ))
3.500 2.000 2.000 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.13615E-02 ppm1 4.274 ppm2 3.874 CV 1
OR { 2573}
(( segid " " and resid 51 and name HA1 ))
(( segid " " and resid 5 and name HA2 ))
ASSI { 2574}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 47 and name HA ))
3.600 2.100 2.100 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 4.559 ppm2 3.276 CV 1
OR { 2574}
(( segid " " and resid 5 and name HA1 ))
(( segid " " and resid 50 and name HA ))
ASSI { 2579}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 54 and name HB2 ))
6.000 5.000 0.000 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.660 ppm2 2.875 CV 1
OR { 2579}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 80 and name HB2 ))
ASSI { 2580}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 70 and name HB3 ))
6.000 5.000 0.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.751 ppm2 2.632 CV 1
OR { 2580}
(( segid " " and resid 69 and name HA2 ))
(( segid " " and resid 70 and name HB3 ))
OR { 2580}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 70 and name HB3 ))
ASSI { 2587}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HB3 ))
6.000 5.000 0.000 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.398 ppm2 2.018 CV 1
OR { 2587}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 2595}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 75 and name HN ))
6.000 5.000 0.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.422 ppm2 8.720 CV 1
OR { 2595}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 43 and name HN ))
ASSI { 2596}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 59 and name HN ))
6.000 5.000 0.000 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.609 ppm2 9.013 CV 1
OR { 2596}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 51 and name HN ))
OR { 2596}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 59 and name HN ))
ASSI { 2598}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 77 and name HB% )
3.700 2.200 2.200 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.94430E-03 ppm1 4.617 ppm2 1.222 CV 1
OR { 2598}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 82 and name HB% )
OR { 2598}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 77 and name HB% )
ASSI { 2599}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HG ))
3.600 2.100 2.100 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 4.470 ppm2 1.419 CV 1
OR { 2599}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HG ))
ASSI { 2606}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 51 and name HA2 ))
6.000 5.000 0.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.407 ppm2 3.459 CV 1
OR { 2606}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 25 and name HD2 ))
ASSI { 2607}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HB2 ))
6.000 5.000 0.000 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.557 ppm2 3.728 CV 1
OR { 2607}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HB3 ))
OR { 2607}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HB3 ))
OR { 2607}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 2612}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 78 and name HB% )
6.000 5.000 0.000 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.109 ppm2 1.242 CV 1
OR { 2612}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 62 and name HB3 ))
ASSI { 2630}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 2 and name HA ))
6.000 5.000 0.000 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.562 ppm2 4.400 CV 1
OR { 2630}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HA ))
OR { 2630}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HA1 ))
OR { 2630}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HA ))
ASSI { 2634}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 78 and name HB% )
3.400 2.000 2.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 4.769 ppm2 1.231 CV 1
OR { 2634}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 82 and name HB% )
ASSI { 2636}
(( segid " " and resid 16 and name HD3 ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.458 ppm2 0.528 CV 1
OR { 2636}
(( segid " " and resid 51 and name HA2 ))
( segid " " and resid 4 and name HD1%)
ASSI { 2638}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 4 and name HD1%)
4.100 2.700 1.900 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.48784E-03 ppm1 4.410 ppm2 0.527 CV 1
OR { 2638}
(( segid " " and resid 44 and name HA1 ))
( segid " " and resid 75 and name HG2%)
OR { 2638}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 4 and name HD1%)
ASSI { 2645}
(( segid " " and resid 43 and name HG ))
(( segid " " and resid 75 and name HG12))
3.800 2.300 2.200 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.83798E-03 ppm1 1.381 ppm2 0.469 CV 1
OR { 2645}
(( segid " " and resid 74 and name HG13))
(( segid " " and resid 75 and name HG12))
ASSI { 2646}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 75 and name HG12))
6.000 5.000 0.000 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.629 ppm2 0.471 CV 1
OR { 2646}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 75 and name HG12))
ASSI { 2647}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 47 and name HG2%)
3.000 1.600 1.600 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.32345E-02 ppm1 4.779 ppm2 0.673 CV 1
OR { 2647}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 58 and name HG2%)
ASSI { 2648}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 73 and name HD1%)
3.100 1.700 1.700 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.26260E-02 ppm1 4.782 ppm2 0.640 CV 1
OR { 2648}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 43 and name HD2%)
OR { 2648}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 43 and name HD1%)
OR { 2648}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 43 and name HD1%)
OR { 2648}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 74 and name HG2%)
OR { 2648}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 43 and name HD1%)
ASSI { 2650}
(( segid " " and resid 5 and name HA1 ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.551 ppm2 0.552 CV 1
OR { 2650}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 4 and name HG2%)
ASSI { 2651}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 43 and name HD2%)
6.000 5.000 0.000 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.622 ppm2 0.636 CV 1
OR { 2651}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 43 and name HD1%)
OR { 2651}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 43 and name HD1%)
OR { 2651}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 43 and name HD2%)
OR { 2651}
(( segid " " and resid 70 and name HB3 ))
( segid " " and resid 73 and name HD1%)
OR { 2651}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 73 and name HD1%)
ASSI { 2654}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 45 and name HB3 ))
6.000 5.000 0.000 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.418 ppm2 2.513 CV 1
OR { 2654}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 7 and name HB3 ))
ASSI { 2655}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 45 and name HB3 ))
6.000 5.000 0.000 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.413 ppm2 2.511 CV 1
OR { 2655}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 22 and name HE% )
ASSI { 2657}
(( segid " " and resid 44 and name HA2 ))
( segid " " and resid 43 and name HD1%)
6.000 5.000 0.000 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.416 ppm2 0.631 CV 1
OR { 2657}
(( segid " " and resid 44 and name HA2 ))
( segid " " and resid 43 and name HD2%)
OR { 2657}
(( segid " " and resid 44 and name HA2 ))
( segid " " and resid 74 and name HG2%)
ASSI { 2658}
(( segid " " and resid 6 and name HD3 ))
( segid " " and resid 50 and name HG2%)
6.000 5.000 0.000 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.412 ppm2 0.716 CV 1
OR { 2658}
(( segid " " and resid 44 and name HA2 ))
( segid " " and resid 74 and name HD1%)
ASSI { 2660}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 5.000 0.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.516 ppm2 8.695 CV 1
OR { 2660}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 47 and name HN ))
ASSI { 2661}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.524 ppm2 0.529 CV 1
OR { 2661}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 4 and name HD1%)
ASSI { 2668}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 46 and name HG1%)
6.000 5.000 0.000 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.749 ppm2 0.947 CV 1
OR { 2668}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 4 and name HG12))
ASSI { 2675}
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 16 and name HB3 ))
6.000 5.000 0.000 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.840 ppm2 1.514 CV 1
OR { 2675}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 16 and name HB3 ))
ASSI { 2676}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 34 and name HB2 ))
6.000 5.000 0.000 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.771 ppm2 1.495 CV 1
OR { 2676}
(( segid " " and resid 36 and name HD2 ))
(( segid " " and resid 34 and name HB3 ))
OR { 2676}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 39 and name HB3 ))
OR { 2676}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 39 and name HB3 ))
OR { 2676}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 2679}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 59 and name HG3 ))
6.000 5.000 0.000 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.607 ppm2 1.123 CV 1
OR { 2679}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 59 and name HG3 ))
OR { 2679}
(( segid " " and resid 6 and name HD2 ))
( segid " " and resid 8 and name HG2%)
OR { 2679}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 59 and name HG2 ))
ASSI { 2682}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.780 ppm2 0.526 CV 1
OR { 2682}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 75 and name HG2%)
OR { 2682}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 75 and name HG2%)
ASSI { 2683}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 75 and name HG2%)
6.000 5.000 0.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.728 ppm2 0.526 CV 1
OR { 2683}
(( segid " " and resid 79 and name HB3 ))
( segid " " and resid 75 and name HG2%)
ASSI { 2684}
(( segid " " and resid 36 and name HD2 ))
( segid " " and resid 35 and name HG2%)
6.000 5.000 0.000 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.766 ppm2 0.780 CV 1
OR { 2684}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 39 and name HD1%)
OR { 2684}
(( segid " " and resid 36 and name HD2 ))
( segid " " and resid 34 and name HD1%)
OR { 2684}
(( segid " " and resid 40 and name HB3 ))
( segid " " and resid 39 and name HD1%)
OR { 2684}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 39 and name HD2%)
ASSI { 2686}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 47 and name HG2%)
6.000 5.000 0.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.106 ppm2 0.669 CV 1
OR { 2686}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 58 and name HG2%)
ASSI { 2687}
(( segid " " and resid 6 and name HD2 ))
( segid " " and resid 4 and name HG2%)
6.000 5.000 0.000 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.589 ppm2 0.557 CV 1
OR { 2687}
(( segid " " and resid 16 and name HD2 ))
( segid " " and resid 4 and name HG2%)
ASSI { 2695}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 81 and name HG2%)
6.000 5.000 0.000 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.773 ppm2 0.589 CV 1
OR { 2695}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 81 and name HG2%)
ASSI { 2696}
(( segid " " and resid 53 and name HB3 ))
( segid " " and resid 3 and name HG2%)
6.000 5.000 0.000 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.625 ppm2 0.851 CV 1
OR { 2696}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 75 and name HG13))
OR { 2696}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 75 and name HG13))
ASSI { 2699}
(( segid " " and resid 6 and name HD2 ))
( segid " " and resid 50 and name HG2%)
6.000 5.000 0.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.605 ppm2 0.721 CV 1
OR { 2699}
(( segid " " and resid 57 and name HB3 ))
( segid " " and resid 58 and name HG1%)
OR { 2699}
(( segid " " and resid 57 and name HB2 ))
( segid " " and resid 58 and name HG1%)
ASSI { 2700}
(( segid " " and resid 72 and name HB3 ))
( segid " " and resid 73 and name HD2%)
6.000 5.000 0.000 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.844 ppm2 0.691 CV 1
OR { 2700}
(( segid " " and resid 72 and name HB3 ))
( segid " " and resid 74 and name HD1%)
OR { 2700}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 73 and name HD2%)
ASSI { 2701}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 73 and name HD2%)
6.000 5.000 0.000 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.735 ppm2 0.691 CV 1
OR { 2701}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 74 and name HD1%)
OR { 2701}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 58 and name HG2%)
OR { 2701}
(( segid " " and resid 70 and name HB2 ))
( segid " " and resid 74 and name HD1%)
ASSI { 2704}
(( segid " " and resid 64 and name HB2 ))
( segid " " and resid 65 and name HG2%)
6.000 5.000 0.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.656 ppm2 0.756 CV 1
OR { 2704}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 34 and name HD1%)
OR { 2704}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 58 and name HG1%)
OR { 2704}
(( segid " " and resid 64 and name HB2 ))
( segid " " and resid 65 and name HG1%)
OR { 2704}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 32 and name HD1%)
ASSI { 2705}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 7 and name HB3 ))
6.000 5.000 0.000 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.660 ppm2 2.504 CV 1
OR { 2705}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HB3 ))
OR { 2705}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 9 and name HB3 ))
ASSI { 2710}
(( segid " " and resid 43 and name HB3 ))
( segid " " and resid 75 and name HD1%)
6.000 5.000 0.000 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.614 ppm2 -0.152 CV 1
OR { 2710}
(( segid " " and resid 74 and name HB ))
( segid " " and resid 75 and name HD1%)
OR { 2710}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 75 and name HD1%)
ASSI { 2713}
(( segid " " and resid 47 and name HB ))
( segid " " and resid 46 and name HG1%)
6.000 5.000 0.000 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.751 ppm2 0.946 CV 1
OR { 2713}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 4 and name HG12))
ASSI { 2730}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HG2 ))
6.000 5.000 0.000 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.406 ppm2 2.831 CV 1
OR { 2730}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 2731}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 45 and name HB2 ))
6.000 5.000 0.000 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.405 ppm2 2.749 CV 1
OR { 2731}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HG3 ))
OR { 2731}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HG3 ))
ASSI { 2732}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.110 ppm2 9.059 CV 1
OR { 2732}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 18 and name HN ))
ASSI { 2740}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 74 and name HG2%)
6.000 5.000 0.000 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.002 ppm2 0.638 CV 1
OR { 2740}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 43 and name HD2%)
OR { 2740}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 43 and name HD1%)
OR { 2740}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 73 and name HD1%)
ASSI { 2745}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 33 and name HD22))
6.000 5.000 0.000 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.519 ppm2 6.817 CV 1
OR { 2745}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HD22))
OR { 2745}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HD22))
OR { 2745}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 33 and name HD22))
ASSI { 2755}
(( segid " " and resid 48 and name HA2 ))
( segid " " and resid 17 and name HD% )
6.000 5.000 0.000 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.658 ppm2 6.655 CV 1
OR { 2755}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 17 and name HD% )
ASSI { 2757}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 5.000 0.000 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.752 ppm2 8.713 CV 1
OR { 2757}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 21 and name HN ))
OR { 2757}
(( segid " " and resid 80 and name HB3 ))
(( segid " " and resid 75 and name HN ))
ASSI { 2759}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 79 and name HD21))
6.000 5.000 0.000 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.533 ppm2 7.445 CV 1
OR { 2759}
( segid " " and resid 75 and name HG2%)
( segid " " and resid 15 and name HZ% )
ASSI { 2760}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 79 and name HD21))
6.000 5.000 0.000 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.322 ppm2 7.441 CV 1
OR { 2760}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 79 and name HD21))
OR { 2760}
(( segid " " and resid 62 and name HD2 ))
( segid " " and resid 15 and name HZ% )
OR { 2760}
(( segid " " and resid 62 and name HD3 ))
( segid " " and resid 15 and name HZ% )
ASSI { 2765}
(( segid " " and resid 8 and name HB ))
(( segid " " and resid 16 and name HG2 ))
6.000 5.000 0.000 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.851 ppm2 2.095 CV 1
OR { 2765}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 2776}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 4 and name HD1%)
6.000 5.000 0.000 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.506 ppm2 0.525 CV 1
OR { 2776}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 75 and name HG2%)
OR { 2776}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 75 and name HG2%)
ASSI { 2789}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 4 and name HG13))
6.000 5.000 0.000 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.451 ppm2 1.272 CV 1
OR { 2789}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 1 and name HB% )
ASSI { 2790}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 35 and name HG2%)
6.000 5.000 0.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.140 ppm2 0.780 CV 1
OR { 2790}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 37 and name HG1%)
OR { 2790}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 37 and name HG2%)
ASSI { 2793}
(( segid " " and resid 64 and name HB3 ))
( segid " " and resid 66 and name HG2%)
6.000 5.000 0.000 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.509 ppm2 1.045 CV 1
OR { 2793}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 74 and name HG12))
OR { 2793}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 2 and name HG2%)
OR { 2793}
(( segid " " and resid 64 and name HB3 ))
( segid " " and resid 68 and name HG2%)
OR { 2793}
(( segid " " and resid 9 and name HB3 ))
( segid " " and resid 2 and name HG2%)
OR { 2793}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 68 and name HG2%)
ASSI { 2794}
(( segid " " and resid 67 and name HB2 ))
( segid " " and resid 66 and name HG2%)
6.000 5.000 0.000 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.751 ppm2 1.053 CV 1
OR { 2794}
(( segid " " and resid 67 and name HB2 ))
( segid " " and resid 68 and name HG2%)
ASSI { 2796}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 17 and name HN ))
4.100 2.600 1.900 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.53311E-03 ppm1 1.599 ppm2 9.454 CV 1
OR { 2796}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 17 and name HN ))
OR { 2796}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 61 and name HN ))
ASSI { 2804}
(( segid " " and resid 62 and name HE2 ))
( segid " " and resid 14 and name HD% )
6.000 5.000 0.000 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.724 ppm2 6.815 CV 1
OR { 2804}
(( segid " " and resid 62 and name HE3 ))
( segid " " and resid 14 and name HD% )
OR { 2804}
(( segid " " and resid 79 and name HB3 ))
( segid " " and resid 14 and name HD% )
ASSI { 2806}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 67 and name HD22))
6.000 5.000 0.000 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.054 ppm2 6.862 CV 1
OR { 2806}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 67 and name HD22))
ASSI { 2807}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 50 and name HN ))
6.000 5.000 0.000 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.895 ppm2 8.717 CV 1
OR { 2807}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 50 and name HN ))
ASSI { 2813}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.619 ppm2 8.634 CV 1
OR { 2813}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 76 and name HN ))
OR { 2813}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 4 and name HN ))
ASSI { 2816}
( segid " " and resid 56 and name HB% )
(( segid " " and resid 20 and name HE22))
6.000 5.000 0.000 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.273 ppm2 6.819 CV 1
OR { 2816}
(( segid " " and resid 15 and name HG2 ))
( segid " " and resid 14 and name HD% )
ASSI { 2818}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 49 and name HN ))
6.000 5.000 0.000 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.690 ppm2 7.890 CV 1
OR { 2818}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 49 and name HN ))
ASSI { 2822}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 79 and name HN ))
6.000 5.000 0.000 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.579 ppm2 8.139 CV 1
OR { 2822}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 32 and name HN ))
OR { 2822}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 79 and name HN ))
ASSI { 2823}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 79 and name HN ))
6.000 5.000 0.000 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.657 ppm2 8.138 CV 1
OR { 2823}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 32 and name HN ))
ASSI { 2824}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 69 and name HN ))
6.000 5.000 0.000 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.631 ppm2 8.445 CV 1
OR { 2824}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 69 and name HN ))
ASSI { 2832}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 76 and name HD21))
6.000 5.000 0.000 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.229 ppm2 7.540 CV 1
OR { 2832}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 76 and name HD21))
ASSI { 2835}
(( segid " " and resid 5 and name HA2 ))
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 9.012 CV 1
OR { 2835}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 51 and name HN ))
ASSI { 2836}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.764 ppm2 9.012 CV 1
OR { 2836}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 51 and name HN ))
ASSI { 2844}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.583 ppm2 8.251 CV 1
OR { 2844}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 66 and name HN ))
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