NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
579848 |
2mbv   |
19415 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HG13))
2.400 0.900 0.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.77718E-02 ppm1 0.821 ppm2 1.089 CV 1
ASSI { 2}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HG12))
2.400 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.18893E-01 ppm1 0.836 ppm2 1.437 CV 1
ASSI { 4}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 51 and name HA1 ))
2.400 0.900 0.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.55472E-02 ppm1 0.832 ppm2 3.421 CV 1
ASSI { 5}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HD2 ))
3.600 1.700 1.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.18557E-02 ppm1 4.217 ppm2 3.163 CV 1
ASSI { 6}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB2 ))
2.400 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.89776E-02 ppm1 4.218 ppm2 1.699 CV 1
OR { 6}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB3 ))
ASSI { 10}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HB2 ))
1.900 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10853E-01 ppm1 1.377 ppm2 1.517 CV 1
ASSI { 11}
( segid " " and resid 6 and name HD2%)
(( segid " " and resid 6 and name HA ))
2.800 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.87092E-02 ppm1 0.788 ppm2 4.291 CV 1
ASSI { 13}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB3 ))
1.700 0.500 0.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.24051E-01 ppm1 3.161 ppm2 2.978 CV 1
ASSI { 15}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HA ))
2.400 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.81737E-02 ppm1 2.979 ppm2 4.624 CV 1
ASSI { 16}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HB3 ))
1.900 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.12662E-01 ppm1 2.638 ppm2 3.074 CV 1
ASSI { 17}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 84 and name HD2 ))
2.400 0.900 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.61904E-02 ppm1 4.469 ppm2 3.824 CV 1
ASSI { 18}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 84 and name HD3 ))
2.400 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.41604E-02 ppm1 4.470 ppm2 3.189 CV 1
ASSI { 19}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 83 and name HB% )
2.300 0.800 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.71682E-02 ppm1 4.473 ppm2 1.331 CV 1
ASSI { 20}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 84 and name HG3 ))
3.700 1.900 1.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.29076E-02 ppm1 4.471 ppm2 1.751 CV 1
ASSI { 21}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 54 and name HD% )
2.400 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.54467E-02 ppm1 4.472 ppm2 7.004 CV 1
ASSI { 23}
( segid " " and resid 12 and name HB% )
(( segid " " and resid 6 and name HA ))
2.600 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.53194E-02 ppm1 0.996 ppm2 4.291 CV 1
ASSI { 24}
( segid " " and resid 12 and name HB% )
(( segid " " and resid 17 and name HN ))
3.600 1.800 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.15945E-02 ppm1 0.995 ppm2 8.000 CV 1
ASSI { 27}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.900 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.41336E-02 ppm1 4.204 ppm2 2.118 CV 1
ASSI { 28}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.400 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.58688E-02 ppm1 4.202 ppm2 3.400 CV 1
ASSI { 29}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HB3 ))
2.100 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.61703E-02 ppm1 3.395 ppm2 2.122 CV 1
ASSI { 30}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.700 1.100 1.100 peak 30 spectrum 1 weight 0.10000E+01 volume 0.39058E-02 ppm1 4.175 ppm2 2.985 CV 1
ASSI { 31}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB3 ))
2.000 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.78385E-02 ppm1 2.985 ppm2 3.739 CV 1
ASSI { 32}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 15 and name HA ))
2.300 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.97815E-02 ppm1 1.882 ppm2 4.848 CV 1
ASSI { 33}
( segid " " and resid 15 and name HB% )
( segid " " and resid 34 and name HD% )
2.500 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.59290E-02 ppm1 1.884 ppm2 6.980 CV 1
ASSI { 34}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 38 and name HB2 ))
2.500 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.77718E-02 ppm1 1.885 ppm2 3.490 CV 1
ASSI { 35}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 38 and name HB3 ))
2.400 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.65387E-02 ppm1 1.884 ppm2 3.150 CV 1
ASSI { 36}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.500 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.93121E-02 ppm1 5.031 ppm2 3.405 CV 1
ASSI { 37}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.300 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.83073E-02 ppm1 5.031 ppm2 3.099 CV 1
ASSI { 38}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HB2 ))
2.100 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.67663E-02 ppm1 3.097 ppm2 3.403 CV 1
ASSI { 40}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG2 ))
2.400 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.66792E-02 ppm1 4.574 ppm2 2.540 CV 1
ASSI { 41}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.400 0.900 0.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.82405E-02 ppm1 4.576 ppm2 2.391 CV 1
ASSI { 42}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HD1%)
3.500 1.700 1.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.21774E-02 ppm1 4.345 ppm2 0.215 CV 1
ASSI { 43}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG13))
2.700 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.26463E-02 ppm1 4.343 ppm2 0.010 CV 1
ASSI { 44}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HG2%)
2.300 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.93795E-02 ppm1 1.439 ppm2 0.741 CV 1
ASSI { 45}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HD1%)
2.500 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.58018E-02 ppm1 1.439 ppm2 0.215 CV 1
ASSI { 46}
(( segid " " and resid 20 and name HG12))
( segid " " and resid 20 and name HG2%)
3.300 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.84415E-03 ppm1 1.279 ppm2 0.724 CV 1
ASSI { 48}
(( segid " " and resid 20 and name HG12))
(( segid " " and resid 20 and name HG13))
2.100 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.50314E-02 ppm1 1.280 ppm2 0.013 CV 1
ASSI { 50}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HG13))
3.200 1.400 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.38053E-02 ppm1 0.737 ppm2 0.016 CV 1
ASSI { 51}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 91 and name HG2 ))
2.800 2.800 3.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.59626E-02 ppm1 0.738 ppm2 2.000 CV 1
OR { 51}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 91 and name HG3 ))
ASSI { 52}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 21 and name HD3 ))
3.300 1.500 1.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.38858E-02 ppm1 0.737 ppm2 3.807 CV 1
ASSI { 53}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HA ))
2.500 1.000 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.51787E-02 ppm1 0.737 ppm2 4.343 CV 1
ASSI { 54}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
2.600 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.78385E-02 ppm1 4.475 ppm2 2.416 CV 1
ASSI { 55}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
3.800 1.900 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.17486E-02 ppm1 4.470 ppm2 2.130 CV 1
ASSI { 56}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
2.000 0.600 0.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.15074E-01 ppm1 4.460 ppm2 1.947 CV 1
ASSI { 59}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
1.800 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.11054E-01 ppm1 2.420 ppm2 1.960 CV 1
ASSI { 61}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 20 and name HA ))
2.700 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.34100E-02 ppm1 3.998 ppm2 4.357 CV 1
ASSI { 62}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 20 and name HA ))
2.500 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.36847E-02 ppm1 3.801 ppm2 4.354 CV 1
ASSI { 63}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HD2 ))
2.100 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.54735E-02 ppm1 3.800 ppm2 4.002 CV 1
ASSI { 64}
(( segid " " and resid 84 and name HD2 ))
(( segid " " and resid 84 and name HG3 ))
3.200 1.400 1.400 peak 64 spectrum 1 weight 0.10000E+01 volume 0.22309E-02 ppm1 3.815 ppm2 1.743 CV 1
ASSI { 65}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HD2 ))
2.600 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.23114E-02 ppm1 2.132 ppm2 4.000 CV 1
ASSI { 67}
(( segid " " and resid 91 and name HG2 ))
(( segid " " and resid 90 and name HA ))
4.100 2.200 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.22041E-02 ppm1 1.989 ppm2 4.724 CV 1
OR { 67}
(( segid " " and resid 91 and name HG3 ))
(( segid " " and resid 90 and name HA ))
ASSI { 68}
(( segid " " and resid 91 and name HG3 ))
(( segid " " and resid 91 and name HD2 ))
2.200 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.12863E-01 ppm1 1.987 ppm2 3.754 CV 1
OR { 68}
(( segid " " and resid 91 and name HG2 ))
(( segid " " and resid 91 and name HD2 ))
ASSI { 69}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB2 ))
3.000 1.200 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.37450E-02 ppm1 2.012 ppm2 2.412 CV 1
ASSI { 71}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 24 and name HB3 ))
2.800 2.800 3.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.31019E-02 ppm1 3.999 ppm2 1.995 CV 1
ASSI { 72}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 24 and name HB3 ))
3.400 1.600 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.37852E-02 ppm1 3.801 ppm2 1.992 CV 1
ASSI { 74}
(( segid " " and resid 21 and name HD2 ))
( segid " " and resid 20 and name HG2%)
3.000 1.300 1.300 peak 74 spectrum 1 weight 0.10000E+01 volume 0.22779E-02 ppm1 4.000 ppm2 0.739 CV 1
ASSI { 77}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB ))
2.900 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.22779E-02 ppm1 4.480 ppm2 2.229 CV 1
ASSI { 78}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HD3 ))
2.500 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.35106E-02 ppm1 4.477 ppm2 3.559 CV 1
ASSI { 80}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 49 and name HG2%)
2.300 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11322E-01 ppm1 4.480 ppm2 0.875 CV 1
OR { 80}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 49 and name HG1%)
ASSI { 81}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB ))
2.400 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.83747E-02 ppm1 3.920 ppm2 4.109 CV 1
ASSI { 82}
(( segid " " and resid 69 and name HA ))
( segid " " and resid 69 and name HG2%)
2.500 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.77043E-02 ppm1 3.921 ppm2 1.138 CV 1
ASSI { 83}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HB3 ))
1.800 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.12729E-01 ppm1 2.096 ppm2 1.987 CV 1
ASSI { 87}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HA ))
2.900 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.24654E-02 ppm1 2.096 ppm2 4.247 CV 1
ASSI { 88}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 88 and name HA ))
3.000 1.300 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.32894E-02 ppm1 0.713 ppm2 4.339 CV 1
ASSI { 89}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 25 and name HA ))
2.600 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.83073E-02 ppm1 0.712 ppm2 4.515 CV 1
ASSI { 90}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 87 and name HA ))
3.000 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.20299E-02 ppm1 0.716 ppm2 4.731 CV 1
ASSI { 91}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HG1%)
2.300 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.93795E-02 ppm1 4.904 ppm2 0.736 CV 1
ASSI { 92}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB ))
2.300 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.77043E-02 ppm1 4.904 ppm2 2.056 CV 1
ASSI { 94}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 26 and name HG1%)
2.200 0.700 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.11657E-01 ppm1 2.054 ppm2 0.734 CV 1
ASSI { 95}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 26 and name HG2%)
2.200 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.89102E-02 ppm1 2.053 ppm2 0.602 CV 1
ASSI { 96}
( segid " " and resid 48 and name HD2%)
(( segid " " and resid 63 and name HB3 ))
2.600 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.40733E-02 ppm1 0.732 ppm2 2.979 CV 1
ASSI { 97}
( segid " " and resid 48 and name HD2%)
( segid " " and resid 48 and name HD1%)
2.300 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.79053E-02 ppm1 0.732 ppm2 -0.266 CV 1
ASSI { 98}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 89 and name HB% )
2.700 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.37383E-02 ppm1 0.602 ppm2 1.353 CV 1
ASSI { 100}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 26 and name HG1%)
2.300 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.10585E-01 ppm1 0.601 ppm2 0.735 CV 1
ASSI { 102}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 26 and name HA ))
3.600 1.800 1.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.15744E-02 ppm1 0.600 ppm2 4.905 CV 1
ASSI { 105}
( segid " " and resid 26 and name HG1%)
( segid " " and resid 20 and name HD1%)
2.800 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.36445E-02 ppm1 0.749 ppm2 0.209 CV 1
ASSI { 106}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.500 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.38790E-02 ppm1 4.676 ppm2 0.430 CV 1
ASSI { 107}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
2.400 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.24119E-02 ppm1 0.425 ppm2 1.151 CV 1
ASSI { 109}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 34 and name HN ))
3.000 3.000 3.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.18424E-02 ppm1 5.154 ppm2 8.702 CV 1
ASSI { 110}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.500 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.50246E-02 ppm1 5.154 ppm2 1.666 CV 1
ASSI { 112}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 29 and name HA ))
2.300 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.98483E-02 ppm1 1.357 ppm2 4.606 CV 1
ASSI { 113}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 84 and name HD2 ))
3.900 2.100 2.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.74366E-03 ppm1 1.360 ppm2 3.826 CV 1
ASSI { 115}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 30 and name HE22))
3.200 3.200 2.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.31956E-02 ppm1 1.357 ppm2 6.753 CV 1
ASSI { 116}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 54 and name HZ ))
2.700 1.100 1.100 peak 116 spectrum 1 weight 0.10000E+01 volume 0.43212E-02 ppm1 1.357 ppm2 7.332 CV 1
ASSI { 117}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.500 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.61971E-02 ppm1 3.800 ppm2 1.736 CV 1
ASSI { 118}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HG2 ))
1.700 0.500 0.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.23582E-01 ppm1 2.056 ppm2 2.179 CV 1
ASSI { 120}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HB3 ))
2.800 1.100 1.100 peak 120 spectrum 1 weight 0.10000E+01 volume 0.28205E-02 ppm1 2.192 ppm2 1.748 CV 1
ASSI { 121}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HB3 ))
1.900 0.600 0.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.88434E-02 ppm1 2.112 ppm2 1.736 CV 1
ASSI { 123}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 13 and name HA ))
2.900 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.28138E-02 ppm1 5.938 ppm2 4.209 CV 1
ASSI { 124}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
2.800 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.46964E-02 ppm1 5.939 ppm2 3.125 CV 1
ASSI { 125}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 62 and name HD% )
2.600 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.33497E-02 ppm1 5.995 ppm2 7.126 CV 1
ASSI { 126}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 27 and name HE% )
2.400 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.80395E-02 ppm1 3.884 ppm2 1.761 CV 1
ASSI { 127}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HD2%)
3.000 1.300 1.300 peak 127 spectrum 1 weight 0.10000E+01 volume 0.42676E-02 ppm1 3.884 ppm2 0.831 CV 1
ASSI { 128}
( segid " " and resid 36 and name HD2%)
(( segid " " and resid 25 and name HB3 ))
2.900 2.900 3.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.10720E-02 ppm1 0.834 ppm2 1.208 CV 1
ASSI { 131}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HE2 ))
2.700 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.40532E-02 ppm1 1.591 ppm2 2.757 CV 1
OR { 131}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HE2 ))
ASSI { 132}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HB3 ))
2.300 0.800 0.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.11456E-01 ppm1 1.592 ppm2 1.842 CV 1
OR { 132}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HB2 ))
OR { 132}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HB3 ))
OR { 132}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HB2 ))
ASSI { 133}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HG3 ))
2.200 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11255E-01 ppm1 1.591 ppm2 1.359 CV 1
OR { 133}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HG3 ))
ASSI { 134}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HB2 ))
2.700 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.58219E-02 ppm1 1.604 ppm2 1.849 CV 1
ASSI { 135}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HG3 ))
1.800 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.10317E-01 ppm1 1.605 ppm2 1.357 CV 1
ASSI { 136}
(( segid " " and resid 37 and name HE2 ))
(( segid " " and resid 37 and name HD3 ))
2.500 0.900 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.63311E-02 ppm1 2.754 ppm2 1.595 CV 1
OR { 136}
(( segid " " and resid 37 and name HE2 ))
(( segid " " and resid 37 and name HG2 ))
OR { 136}
(( segid " " and resid 37 and name HE2 ))
(( segid " " and resid 37 and name HD2 ))
ASSI { 137}
(( segid " " and resid 37 and name HE3 ))
(( segid " " and resid 37 and name HG3 ))
2.900 1.200 1.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.27535E-02 ppm1 2.630 ppm2 1.353 CV 1
ASSI { 138}
(( segid " " and resid 37 and name HE3 ))
(( segid " " and resid 37 and name HD2 ))
2.500 0.900 0.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.57348E-02 ppm1 2.628 ppm2 1.595 CV 1
OR { 138}
(( segid " " and resid 37 and name HE3 ))
(( segid " " and resid 37 and name HD3 ))
OR { 138}
(( segid " " and resid 37 and name HE3 ))
(( segid " " and resid 37 and name HG2 ))
ASSI { 139}
(( segid " " and resid 37 and name HE2 ))
(( segid " " and resid 37 and name HE3 ))
1.500 0.400 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.35239E-01 ppm1 2.756 ppm2 2.631 CV 1
ASSI { 141}
(( segid " " and resid 37 and name HG3 ))
(( segid " " and resid 37 and name HG2 ))
1.900 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12327E-01 ppm1 1.359 ppm2 1.594 CV 1
OR { 141}
(( segid " " and resid 37 and name HG3 ))
(( segid " " and resid 37 and name HD2 ))
ASSI { 142}
(( segid " " and resid 37 and name HG3 ))
(( segid " " and resid 37 and name HB2 ))
2.700 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.31086E-02 ppm1 1.359 ppm2 1.840 CV 1
OR { 142}
(( segid " " and resid 37 and name HG3 ))
(( segid " " and resid 37 and name HB3 ))
ASSI { 143}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 15 and name HB% )
3.500 1.700 1.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.22711E-02 ppm1 4.389 ppm2 1.879 CV 1
ASSI { 144}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
2.700 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.65387E-02 ppm1 4.390 ppm2 3.492 CV 1
ASSI { 145}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
2.200 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.42609E-02 ppm1 3.486 ppm2 3.157 CV 1
ASSI { 149}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB3 ))
2.800 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.37317E-02 ppm1 4.081 ppm2 2.355 CV 1
ASSI { 150}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HD% )
2.200 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.64985E-02 ppm1 4.080 ppm2 6.598 CV 1
ASSI { 151}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 61 and name HD1%)
2.500 1.000 1.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.50380E-02 ppm1 4.081 ppm2 0.018 CV 1
ASSI { 152}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB ))
2.400 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.50246E-02 ppm1 4.580 ppm2 3.433 CV 1
ASSI { 153}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 48 and name HG ))
2.500 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.35842E-02 ppm1 4.582 ppm2 1.182 CV 1
ASSI { 154}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 40 and name HG2%)
2.400 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.76376E-02 ppm1 4.580 ppm2 0.780 CV 1
ASSI { 157}
(( segid " " and resid 40 and name HB ))
( segid " " and resid 40 and name HG2%)
2.200 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10317E-01 ppm1 3.435 ppm2 0.777 CV 1
ASSI { 158}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 48 and name HD1%)
3.300 1.500 1.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.15543E-02 ppm1 3.782 ppm2 -0.268 CV 1
ASSI { 159}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 48 and name HD2%)
2.800 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.36579E-02 ppm1 3.784 ppm2 0.722 CV 1
ASSI { 160}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB3 ))
2.600 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.67663E-02 ppm1 3.783 ppm2 2.722 CV 1
ASSI { 161}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.300 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.66792E-02 ppm1 3.783 ppm2 3.515 CV 1
ASSI { 162}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HB3 ))
2.100 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.66124E-02 ppm1 3.886 ppm2 3.717 CV 1
ASSI { 163}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HA ))
2.700 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.47500E-02 ppm1 3.719 ppm2 4.067 CV 1
ASSI { 165}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
2.900 1.200 1.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.29210E-02 ppm1 4.072 ppm2 3.886 CV 1
ASSI { 166}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HG12))
3.400 1.600 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 4.048 ppm2 1.383 CV 1
ASSI { 167}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HA ))
2.800 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.37852E-02 ppm1 3.134 ppm2 4.751 CV 1
ASSI { 168}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HA ))
2.900 1.200 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.33364E-02 ppm1 3.308 ppm2 4.758 CV 1
ASSI { 169}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HB2 ))
2.300 0.800 0.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.46629E-02 ppm1 3.133 ppm2 3.320 CV 1
ASSI { 171}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 40 and name HB ))
2.400 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.64583E-02 ppm1 4.113 ppm2 3.433 CV 1
ASSI { 172}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
2.600 1.000 1.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.41939E-02 ppm1 4.117 ppm2 2.194 CV 1
ASSI { 173}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
2.400 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.73024E-02 ppm1 4.116 ppm2 2.035 CV 1
ASSI { 174}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 40 and name HG2%)
3.300 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.25592E-02 ppm1 4.118 ppm2 0.785 CV 1
ASSI { 176}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HB2 ))
3.600 1.700 1.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.15543E-02 ppm1 3.091 ppm2 2.166 CV 1
ASSI { 177}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HA ))
3.300 1.500 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 3.095 ppm2 4.114 CV 1
ASSI { 178}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB2 ))
2.100 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.13466E-01 ppm1 3.989 ppm2 1.736 CV 1
OR { 178}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HG2 ))
OR { 178}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 179}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 40 and name HG2%)
2.200 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10049E-01 ppm1 3.986 ppm2 0.776 CV 1
ASSI { 180}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 40 and name HA ))
2.200 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.80395E-02 ppm1 3.986 ppm2 4.582 CV 1
ASSI { 181}
(( segid " " and resid 49 and name HB ))
( segid " " and resid 49 and name HG1%)
2.000 0.700 0.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.17754E-01 ppm1 2.229 ppm2 0.868 CV 1
OR { 181}
(( segid " " and resid 49 and name HB ))
( segid " " and resid 49 and name HG2%)
ASSI { 182}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HB ))
2.200 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.11389E-01 ppm1 0.869 ppm2 2.231 CV 1
ASSI { 183}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG2 ))
3.200 1.400 1.400 peak 183 spectrum 1 weight 0.10000E+01 volume 0.41939E-02 ppm1 3.639 ppm2 2.064 CV 1
ASSI { 184}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB2 ))
2.500 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.84415E-02 ppm1 3.639 ppm2 1.323 CV 1
ASSI { 185}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB3 ))
2.400 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.44552E-02 ppm1 3.638 ppm2 1.150 CV 1
ASSI { 186}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HB3 ))
2.400 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.20434E-02 ppm1 1.313 ppm2 1.148 CV 1
ASSI { 188}
(( segid " " and resid 50 and name HD3 ))
( segid " " and resid 49 and name HG1%)
3.900 2.000 2.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.21304E-02 ppm1 3.545 ppm2 0.870 CV 1
ASSI { 189}
(( segid " " and resid 50 and name HD2 ))
( segid " " and resid 49 and name HG2%)
2.400 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.45624E-02 ppm1 3.761 ppm2 0.872 CV 1
OR { 189}
(( segid " " and resid 50 and name HD2 ))
( segid " " and resid 49 and name HG1%)
ASSI { 191}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB2 ))
2.500 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.63512E-02 ppm1 4.727 ppm2 2.086 CV 1
ASSI { 192}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB3 ))
2.600 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.45691E-02 ppm1 4.727 ppm2 1.922 CV 1
ASSI { 193}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
2.700 1.000 1.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.33967E-02 ppm1 5.046 ppm2 1.441 CV 1
OR { 193}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG3 ))
ASSI { 194}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 82 and name HA ))
2.300 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.73692E-02 ppm1 5.047 ppm2 4.533 CV 1
ASSI { 196}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB3 ))
2.500 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.85757E-02 ppm1 5.191 ppm2 2.956 CV 1
ASSI { 199}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HA ))
2.500 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.37116E-02 ppm1 2.814 ppm2 5.193 CV 1
ASSI { 200}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HB3 ))
2.100 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.43815E-02 ppm1 2.818 ppm2 2.959 CV 1
ASSI { 201}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB2 ))
2.700 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.53060E-02 ppm1 4.675 ppm2 2.965 CV 1
ASSI { 202}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB3 ))
2.600 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.44016E-02 ppm1 4.675 ppm2 2.792 CV 1
ASSI { 203}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB2 ))
2.400 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.49777E-02 ppm1 5.721 ppm2 3.126 CV 1
ASSI { 204}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB3 ))
2.600 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.66393E-02 ppm1 5.719 ppm2 2.783 CV 1
ASSI { 205}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 61 and name HD2%)
2.900 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.48505E-02 ppm1 5.715 ppm2 0.575 CV 1
ASSI { 206}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 61 and name HA ))
2.500 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.46227E-02 ppm1 5.719 ppm2 5.224 CV 1
ASSI { 207}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 56 and name HD% )
2.200 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.77718E-02 ppm1 5.719 ppm2 7.055 CV 1
ASSI { 209}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HB2 ))
2.000 0.600 0.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.79727E-02 ppm1 2.776 ppm2 3.129 CV 1
ASSI { 210}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HG2%)
2.200 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.11791E-01 ppm1 4.324 ppm2 0.839 CV 1
ASSI { 211}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HG13))
2.500 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.36445E-02 ppm1 4.324 ppm2 1.204 CV 1
ASSI { 212}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB ))
2.700 1.100 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.35709E-02 ppm1 4.325 ppm2 1.849 CV 1
ASSI { 213}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB2 ))
2.200 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.12059E-01 ppm1 4.132 ppm2 2.134 CV 1
ASSI { 214}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 55 and name HB2 ))
3.400 1.600 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.26329E-02 ppm1 0.778 ppm2 2.961 CV 1
ASSI { 215}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 55 and name HB3 ))
3.100 1.400 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.10183E-02 ppm1 0.777 ppm2 2.781 CV 1
ASSI { 216}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 57 and name HB ))
4.200 2.300 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.21171E-03 ppm1 0.775 ppm2 1.851 CV 1
ASSI { 217}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 57 and name HG13))
2.200 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10317E-01 ppm1 0.774 ppm2 1.196 CV 1
ASSI { 218}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 57 and name HA ))
4.100 2.300 1.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.11054E-02 ppm1 0.772 ppm2 4.333 CV 1
ASSI { 220}
(( segid " " and resid 4 and name HG13))
( segid " " and resid 4 and name HD1%)
2.300 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.12193E-01 ppm1 1.095 ppm2 0.806 CV 1
OR { 220}
(( segid " " and resid 4 and name HG13))
( segid " " and resid 4 and name HG2%)
ASSI { 224}
(( segid " " and resid 82 and name HG13))
(( segid " " and resid 82 and name HB ))
2.200 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.12528E-01 ppm1 1.184 ppm2 1.804 CV 1
ASSI { 226}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB2 ))
2.300 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.13533E-01 ppm1 4.361 ppm2 3.145 CV 1
ASSI { 227}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB3 ))
2.500 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.70347E-02 ppm1 4.359 ppm2 2.790 CV 1
ASSI { 229}
(( segid " " and resid 58 and name HB3 ))
(( segid " " and resid 58 and name HB2 ))
1.800 0.500 0.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.18290E-01 ppm1 2.783 ppm2 3.146 CV 1
ASSI { 231}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB2 ))
2.900 1.200 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.38255E-02 ppm1 5.220 ppm2 1.786 CV 1
ASSI { 232}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB3 ))
2.300 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.59693E-02 ppm1 5.217 ppm2 0.704 CV 1
ASSI { 234}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 56 and name HD% )
2.500 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.41135E-02 ppm1 5.219 ppm2 7.050 CV 1
ASSI { 235}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HB3 ))
2.100 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.43815E-02 ppm1 1.787 ppm2 0.702 CV 1
ASSI { 236}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 61 and name HD1%)
2.600 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.36312E-02 ppm1 1.789 ppm2 0.016 CV 1
ASSI { 240}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HG ))
2.400 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.54266E-02 ppm1 0.019 ppm2 1.549 CV 1
ASSI { 243}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HA ))
4.300 2.400 1.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.92453E-03 ppm1 0.021 ppm2 5.219 CV 1
ASSI { 245}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 54 and name HD% )
3.600 1.800 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.14471E-02 ppm1 0.019 ppm2 7.024 CV 1
ASSI { 246}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HB3 ))
2.100 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.45088E-02 ppm1 3.276 ppm2 2.600 CV 1
ASSI { 247}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB3 ))
2.500 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.66393E-02 ppm1 4.966 ppm2 2.981 CV 1
ASSI { 248}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.500 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.60497E-02 ppm1 4.966 ppm2 3.674 CV 1
ASSI { 249}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 54 and name HA ))
2.800 1.100 1.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.26798E-02 ppm1 4.966 ppm2 5.203 CV 1
ASSI { 250}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 48 and name HD2%)
2.500 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.60497E-02 ppm1 4.966 ppm2 0.730 CV 1
ASSI { 251}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 48 and name HD1%)
2.900 2.900 3.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.11590E-02 ppm1 4.967 ppm2 -0.259 CV 1
ASSI { 253}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 63 and name HB2 ))
2.100 0.700 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.52792E-02 ppm1 2.983 ppm2 3.667 CV 1
ASSI { 255}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HB2 ))
1.800 0.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.10585E-01 ppm1 1.276 ppm2 1.440 CV 1
ASSI { 256}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 67 and name HG2 ))
2.800 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.39192E-02 ppm1 2.624 ppm2 1.232 CV 1
ASSI { 257}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 67 and name HB2 ))
3.200 1.400 1.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.16950E-02 ppm1 2.618 ppm2 1.435 CV 1
ASSI { 258}
(( segid " " and resid 67 and name HD3 ))
(( segid " " and resid 67 and name HB2 ))
3.300 1.500 1.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.97815E-03 ppm1 2.513 ppm2 1.437 CV 1
ASSI { 259}
(( segid " " and resid 67 and name HD3 ))
(( segid " " and resid 67 and name HG3 ))
3.300 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.15007E-02 ppm1 2.515 ppm2 0.666 CV 1
ASSI { 260}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 67 and name HG3 ))
2.600 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.24185E-02 ppm1 2.622 ppm2 0.663 CV 1
ASSI { 261}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 67 and name HD3 ))
1.700 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.15141E-01 ppm1 2.622 ppm2 2.515 CV 1
ASSI { 263}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HG3 ))
2.000 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.65653E-02 ppm1 1.218 ppm2 0.679 CV 1
ASSI { 265}
(( segid " " and resid 67 and name HG3 ))
(( segid " " and resid 67 and name HB2 ))
3.000 1.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 0.674 ppm2 1.432 CV 1
ASSI { 266}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB2 ))
2.500 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.93795E-02 ppm1 4.251 ppm2 1.809 CV 1
ASSI { 267}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB3 ))
2.400 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.52993E-02 ppm1 4.250 ppm2 1.646 CV 1
ASSI { 268}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HG3 ))
3.200 1.400 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.30148E-02 ppm1 4.252 ppm2 1.156 CV 1
ASSI { 269}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HB3 ))
1.700 0.500 0.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.17888E-01 ppm1 1.810 ppm2 1.644 CV 1
ASSI { 270}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HG3 ))
2.900 1.200 1.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.19630E-02 ppm1 1.658 ppm2 1.344 CV 1
ASSI { 271}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HG3 ))
3.400 1.600 1.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.17419E-02 ppm1 1.535 ppm2 1.338 CV 1
ASSI { 273}
(( segid " " and resid 69 and name HB ))
( segid " " and resid 69 and name HG2%)
2.200 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.15342E-01 ppm1 4.109 ppm2 1.140 CV 1
ASSI { 274}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 70 and name HB% )
2.100 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.19831E-01 ppm1 4.200 ppm2 1.284 CV 1
ASSI { 275}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
2.400 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.53194E-02 ppm1 4.299 ppm2 1.372 CV 1
ASSI { 277}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HG ))
2.400 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.68337E-02 ppm1 0.834 ppm2 1.523 CV 1
OR { 277}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HB3 ))
OR { 277}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HB2 ))
ASSI { 278}
(( segid " " and resid 72 and name HB ))
(( segid " " and resid 72 and name HA ))
2.600 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.36445E-02 ppm1 1.793 ppm2 4.062 CV 1
ASSI { 279}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 72 and name HG13))
2.500 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.51252E-02 ppm1 0.753 ppm2 1.074 CV 1
ASSI { 282}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB2 ))
2.600 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.59693E-02 ppm1 4.655 ppm2 2.881 CV 1
ASSI { 284}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
2.100 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.21573E-01 ppm1 4.400 ppm2 3.822 CV 1
OR { 284}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 286}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 76 and name HB3 ))
1.900 1.900 4.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.15007E-01 ppm1 4.551 ppm2 3.928 CV 1
ASSI { 287}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB3 ))
2.500 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.59559E-02 ppm1 4.517 ppm2 2.690 CV 1
ASSI { 288}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB2 ))
2.500 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.87092E-02 ppm1 4.518 ppm2 3.416 CV 1
ASSI { 290}
(( segid " " and resid 81 and name HB2 ))
(( segid " " and resid 81 and name HB3 ))
1.900 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.95131E-02 ppm1 3.415 ppm2 2.687 CV 1
ASSI { 293}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 92 and name HA ))
2.500 2.500 3.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.13466E-01 ppm1 3.790 ppm2 4.290 CV 1
OR { 293}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 92 and name HA ))
ASSI { 295}
( segid " " and resid 82 and name HD1%)
(( segid " " and resid 82 and name HG12))
2.300 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.79053E-02 ppm1 0.744 ppm2 1.443 CV 1
ASSI { 296}
( segid " " and resid 82 and name HD1%)
(( segid " " and resid 82 and name HB ))
3.000 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.46629E-02 ppm1 0.741 ppm2 1.782 CV 1
ASSI { 297}
( segid " " and resid 82 and name HD1%)
(( segid " " and resid 82 and name HG13))
2.400 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.67663E-02 ppm1 0.744 ppm2 1.189 CV 1
ASSI { 298}
( segid " " and resid 82 and name HD1%)
( segid " " and resid 49 and name HG2%)
2.800 2.800 3.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 0.741 ppm2 0.865 CV 1
OR { 298}
( segid " " and resid 82 and name HD1%)
( segid " " and resid 49 and name HG1%)
ASSI { 299}
( segid " " and resid 82 and name HD1%)
(( segid " " and resid 82 and name HA ))
2.600 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.43882E-02 ppm1 0.744 ppm2 4.531 CV 1
ASSI { 300}
( segid " " and resid 82 and name HD1%)
(( segid " " and resid 53 and name HA ))
2.900 1.200 1.200 peak 300 spectrum 1 weight 0.10000E+01 volume 0.30483E-02 ppm1 0.746 ppm2 5.041 CV 1
ASSI { 301}
(( segid " " and resid 48 and name HG ))
(( segid " " and resid 48 and name HA ))
2.900 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.36177E-02 ppm1 1.185 ppm2 4.549 CV 1
ASSI { 302}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 6 and name HA ))
2.400 2.400 3.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10183E-01 ppm1 4.444 ppm2 4.290 CV 1
ASSI { 303}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HB% )
2.100 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.13399E-01 ppm1 4.444 ppm2 0.996 CV 1
ASSI { 304}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 20 and name HD1%)
3.300 1.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.14337E-02 ppm1 4.441 ppm2 0.209 CV 1
ASSI { 305}
( segid " " and resid 83 and name HB% )
(( segid " " and resid 52 and name HB3 ))
3.400 1.600 1.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.68337E-03 ppm1 1.329 ppm2 2.651 CV 1
ASSI { 306}
( segid " " and resid 83 and name HB% )
(( segid " " and resid 50 and name HA ))
2.800 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.26597E-02 ppm1 1.331 ppm2 3.639 CV 1
ASSI { 307}
( segid " " and resid 83 and name HB% )
(( segid " " and resid 84 and name HD2 ))
3.200 1.400 1.400 peak 307 spectrum 1 weight 0.10000E+01 volume 0.17955E-02 ppm1 1.329 ppm2 3.817 CV 1
ASSI { 311}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HB2 ))
2.900 1.200 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.48103E-02 ppm1 4.586 ppm2 2.416 CV 1
ASSI { 312}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HB3 ))
2.200 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.80395E-02 ppm1 4.586 ppm2 2.249 CV 1
ASSI { 313}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HG3 ))
4.000 2.100 2.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.82405E-03 ppm1 4.586 ppm2 1.758 CV 1
ASSI { 314}
(( segid " " and resid 84 and name HA ))
( segid " " and resid 83 and name HB% )
3.800 1.900 1.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.83747E-03 ppm1 4.580 ppm2 1.324 CV 1
ASSI { 315}
(( segid " " and resid 84 and name HA ))
( segid " " and resid 82 and name HG2%)
2.900 2.900 3.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.99150E-03 ppm1 4.586 ppm2 0.814 CV 1
ASSI { 317}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HB3 ))
1.600 0.500 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.33296E-01 ppm1 2.273 ppm2 1.966 CV 1
OR { 317}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HG3 ))
ASSI { 318}
(( segid " " and resid 84 and name HG2 ))
(( segid " " and resid 84 and name HG3 ))
2.100 0.700 0.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.44217E-02 ppm1 2.217 ppm2 1.750 CV 1
ASSI { 319}
(( segid " " and resid 84 and name HD3 ))
(( segid " " and resid 84 and name HG3 ))
2.600 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.24922E-02 ppm1 3.185 ppm2 1.751 CV 1
ASSI { 320}
(( segid " " and resid 84 and name HD3 ))
( segid " " and resid 83 and name HB% )
3.700 1.900 1.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.21907E-02 ppm1 3.180 ppm2 1.333 CV 1
ASSI { 321}
(( segid " " and resid 84 and name HD3 ))
(( segid " " and resid 84 and name HG2 ))
3.000 1.300 1.300 peak 321 spectrum 1 weight 0.10000E+01 volume 0.31153E-02 ppm1 3.186 ppm2 2.229 CV 1
ASSI { 322}
(( segid " " and resid 84 and name HD3 ))
(( segid " " and resid 84 and name HD2 ))
2.400 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 3.184 ppm2 3.830 CV 1
ASSI { 324}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HB3 ))
2.000 0.600 0.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.64382E-02 ppm1 2.087 ppm2 1.843 CV 1
ASSI { 325}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 86 and name HB2 ))
2.100 0.700 0.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.57348E-02 ppm1 1.846 ppm2 2.089 CV 1
OR { 325}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 86 and name HG2 ))
ASSI { 326}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HA ))
2.900 1.200 1.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.32560E-02 ppm1 2.089 ppm2 4.750 CV 1
ASSI { 327}
(( segid " " and resid 86 and name HB2 ))
( segid " " and resid 25 and name HD1%)
3.100 3.100 2.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.24185E-02 ppm1 2.092 ppm2 0.905 CV 1
ASSI { 328}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 86 and name HA ))
2.700 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.21372E-02 ppm1 1.847 ppm2 4.764 CV 1
ASSI { 329}
(( segid " " and resid 50 and name HD2 ))
(( segid " " and resid 49 and name HA ))
2.100 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.16213E-01 ppm1 3.767 ppm2 4.494 CV 1
ASSI { 331}
(( segid " " and resid 91 and name HD3 ))
(( segid " " and resid 91 and name HG2 ))
2.500 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.48572E-02 ppm1 3.615 ppm2 1.984 CV 1
OR { 331}
(( segid " " and resid 91 and name HD3 ))
(( segid " " and resid 91 and name HG3 ))
ASSI { 332}
(( segid " " and resid 91 and name HD3 ))
( segid " " and resid 90 and name HD2%)
4.000 2.100 2.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.15744E-02 ppm1 3.611 ppm2 0.873 CV 1
OR { 332}
(( segid " " and resid 91 and name HD3 ))
( segid " " and resid 90 and name HD1%)
ASSI { 333}
(( segid " " and resid 95 and name HD3 ))
(( segid " " and resid 95 and name HD2 ))
1.700 0.500 0.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.18022E-01 ppm1 3.526 ppm2 3.747 CV 1
ASSI { 335}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB3 ))
2.800 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.49844E-02 ppm1 4.720 ppm2 2.648 CV 1
ASSI { 337}
(( segid " " and resid 88 and name HA ))
( segid " " and resid 88 and name HB% )
2.100 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.17553E-01 ppm1 4.331 ppm2 1.322 CV 1
ASSI { 338}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 25 and name HA ))
2.300 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.73692E-02 ppm1 4.332 ppm2 4.513 CV 1
ASSI { 340}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 26 and name HG2%)
2.800 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.70347E-02 ppm1 3.930 ppm2 0.600 CV 1
ASSI { 341}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 20 and name HG2%)
2.800 2.800 3.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.43748E-02 ppm1 3.932 ppm2 0.737 CV 1
ASSI { 342}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 89 and name HB% )
2.100 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.19429E-01 ppm1 3.932 ppm2 1.357 CV 1
ASSI { 343}
( segid " " and resid 89 and name HB% )
( segid " " and resid 20 and name HD1%)
2.700 2.700 3.300 peak 343 spectrum 1 weight 0.10000E+01 volume 0.17352E-02 ppm1 1.359 ppm2 0.209 CV 1
ASSI { 344}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 90 and name HD1%)
2.800 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.60966E-02 ppm1 4.704 ppm2 0.870 CV 1
OR { 344}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 90 and name HD2%)
ASSI { 345}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 91 and name HD3 ))
2.300 0.800 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.66523E-02 ppm1 4.705 ppm2 3.622 CV 1
ASSI { 346}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 91 and name HD2 ))
2.200 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.10049E-01 ppm1 4.708 ppm2 3.755 CV 1
ASSI { 347}
(( segid " " and resid 90 and name HB2 ))
(( segid " " and resid 90 and name HA ))
2.900 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.21505E-02 ppm1 1.576 ppm2 4.713 CV 1
ASSI { 348}
(( segid " " and resid 90 and name HB3 ))
(( segid " " and resid 90 and name HA ))
3.200 1.400 1.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.12327E-02 ppm1 1.491 ppm2 4.710 CV 1
ASSI { 350}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HB2 ))
2.700 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.71682E-02 ppm1 4.451 ppm2 2.271 CV 1
ASSI { 351}
(( segid " " and resid 91 and name HA ))
( segid " " and resid 88 and name HB% )
2.500 2.500 3.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.27334E-02 ppm1 4.451 ppm2 1.323 CV 1
ASSI { 352}
(( segid " " and resid 92 and name HA ))
( segid " " and resid 92 and name HG2%)
2.700 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.49711E-02 ppm1 4.286 ppm2 1.163 CV 1
ASSI { 353}
(( segid " " and resid 92 and name HB ))
(( segid " " and resid 92 and name HA ))
2.500 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.66792E-02 ppm1 4.170 ppm2 4.296 CV 1
ASSI { 354}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 43 and name HA ))
2.500 0.900 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.79053E-02 ppm1 4.152 ppm2 4.390 CV 1
ASSI { 355}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG1%)
2.100 0.700 0.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.15677E-01 ppm1 1.743 ppm2 0.712 CV 1
ASSI { 356}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HA ))
2.500 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.50515E-02 ppm1 1.744 ppm2 4.783 CV 1
ASSI { 357}
(( segid " " and resid 96 and name HG2 ))
(( segid " " and resid 96 and name HD2 ))
2.100 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.18491E-01 ppm1 1.434 ppm2 1.674 CV 1
OR { 357}
(( segid " " and resid 96 and name HG2 ))
(( segid " " and resid 96 and name HD3 ))
ASSI { 359}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.600 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.65119E-02 ppm1 4.619 ppm2 3.165 CV 1
ASSI { 361}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 17 and name HN ))
2.900 2.900 3.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.69672E-02 ppm1 4.441 ppm2 7.988 CV 1
ASSI { 363}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 20 and name HG12))
2.400 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.73024E-02 ppm1 0.212 ppm2 1.284 CV 1
ASSI { 364}
( segid " " and resid 20 and name HD1%)
( segid " " and resid 20 and name HG2%)
2.200 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.18156E-01 ppm1 0.212 ppm2 0.729 CV 1
ASSI { 365}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 20 and name HG13))
2.400 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.70347E-02 ppm1 0.212 ppm2 0.013 CV 1
ASSI { 366}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 13 and name HA ))
2.700 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.41939E-02 ppm1 0.212 ppm2 4.210 CV 1
ASSI { 367}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HB% )
1.900 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.34972E-01 ppm1 4.000 ppm2 1.414 CV 1
ASSI { 368}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 88 and name HB% )
2.700 2.700 3.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.52189E-02 ppm1 4.265 ppm2 1.323 CV 1
ASSI { 369}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HB3 ))
2.600 1.000 1.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.34435E-02 ppm1 2.393 ppm2 1.987 CV 1
ASSI { 371}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG2%)
2.200 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.12930E-01 ppm1 4.386 ppm2 1.232 CV 1
ASSI { 372}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 40 and name HB ))
2.700 1.100 1.100 peak 372 spectrum 1 weight 0.10000E+01 volume 0.37116E-02 ppm1 3.983 ppm2 3.444 CV 1
ASSI { 373}
(( segid " " and resid 71 and name HB3 ))
( segid " " and resid 71 and name HD1%)
2.200 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.14605E-01 ppm1 1.525 ppm2 0.826 CV 1
OR { 373}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 71 and name HD1%)
ASSI { 374}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 27 and name HE% )
3.400 1.600 1.600 peak 374 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 3.637 ppm2 1.757 CV 1
ASSI { 375}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 64 and name HA ))
3.400 3.400 2.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 3.188 ppm2 4.145 CV 1
ASSI { 376}
(( segid " " and resid 57 and name HB ))
( segid " " and resid 57 and name HG2%)
2.200 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10987E-01 ppm1 1.851 ppm2 0.840 CV 1
ASSI { 377}
( segid " " and resid 57 and name HG2%)
(( segid " " and resid 72 and name HA ))
2.300 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.91111E-02 ppm1 0.848 ppm2 4.054 CV 1
ASSI { 378}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HB3 ))
2.100 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.49309E-02 ppm1 3.729 ppm2 3.426 CV 1
ASSI { 380}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 41 and name HA ))
2.700 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.36513E-02 ppm1 5.996 ppm2 3.793 CV 1
ASSI { 381}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
2.800 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.50380E-02 ppm1 5.995 ppm2 3.278 CV 1
ASSI { 382}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB3 ))
2.500 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.38924E-02 ppm1 5.995 ppm2 2.603 CV 1
ASSI { 383}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HG3 ))
2.900 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.18893E-02 ppm1 3.614 ppm2 0.669 CV 1
ASSI { 384}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB2 ))
2.700 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.23850E-02 ppm1 3.613 ppm2 1.438 CV 1
ASSI { 385}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 62 and name HB3 ))
2.000 0.700 0.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.96473E-02 ppm1 2.545 ppm2 2.595 CV 1
ASSI { 386}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 67 and name HA ))
3.100 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.20902E-02 ppm1 2.628 ppm2 3.618 CV 1
ASSI { 387}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 67 and name HA ))
2.500 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.26731E-02 ppm1 2.543 ppm2 3.618 CV 1
ASSI { 388}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HG13))
2.500 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.43815E-02 ppm1 4.048 ppm2 1.100 CV 1
ASSI { 389}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 73 and name HA ))
3.500 1.700 1.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.10116E-02 ppm1 2.761 ppm2 4.669 CV 1
ASSI { 391}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HB2 ))
1.900 0.600 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.96473E-02 ppm1 2.848 ppm2 3.172 CV 1
ASSI { 392}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HB3 ))
2.100 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.66190E-02 ppm1 2.075 ppm2 1.924 CV 1
ASSI { 393}
(( segid " " and resid 91 and name HD3 ))
(( segid " " and resid 91 and name HD2 ))
1.700 0.500 0.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.16816E-01 ppm1 3.614 ppm2 3.755 CV 1
ASSI { 394}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 93 and name HB2 ))
2.200 2.200 3.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.50649E-02 ppm1 4.421 ppm2 3.779 CV 1
ASSI { 395}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 56 and name HD% )
2.200 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.85757E-02 ppm1 0.573 ppm2 7.038 CV 1
ASSI { 396}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HA ))
2.400 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.54668E-02 ppm1 0.573 ppm2 5.224 CV 1
ASSI { 397}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 39 and name HE% )
2.800 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.20098E-02 ppm1 0.573 ppm2 6.250 CV 1
ASSI { 398}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HB2 ))
3.500 1.700 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.23918E-02 ppm1 0.572 ppm2 1.782 CV 1
ASSI { 399}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HG ))
2.300 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.64114E-02 ppm1 0.574 ppm2 1.550 CV 1
ASSI { 400}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 61 and name HD1%)
2.400 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.69672E-02 ppm1 0.574 ppm2 0.017 CV 1
ASSI { 401}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 48 and name HD1%)
3.900 2.100 2.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.34301E-03 ppm1 0.572 ppm2 -0.263 CV 1
ASSI { 402}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 48 and name HD2%)
2.300 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.80395E-02 ppm1 -0.260 ppm2 0.721 CV 1
OR { 402}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 48 and name HB3 ))
ASSI { 403}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 48 and name HG ))
2.400 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.40331E-02 ppm1 -0.260 ppm2 1.178 CV 1
ASSI { 405}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
2.500 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.84415E-02 ppm1 4.511 ppm2 1.800 CV 1
ASSI { 406}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HB2 ))
1.800 0.500 0.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.12863E-01 ppm1 1.212 ppm2 1.807 CV 1
ASSI { 407}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 25 and name HD1%)
3.100 1.300 1.300 peak 407 spectrum 1 weight 0.10000E+01 volume 0.33833E-02 ppm1 1.212 ppm2 0.901 CV 1
ASSI { 408}
(( segid " " and resid 47 and name HG2 ))
(( segid " " and resid 47 and name HD2 ))
2.500 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.56879E-02 ppm1 1.736 ppm2 3.144 CV 1
OR { 408}
(( segid " " and resid 47 and name HG2 ))
(( segid " " and resid 47 and name HD3 ))
ASSI { 409}
( segid " " and resid 48 and name HD1%)
(( segid " " and resid 48 and name HB2 ))
2.800 1.100 1.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.23315E-02 ppm1 -0.261 ppm2 1.542 CV 1
ASSI { 410}
( segid " " and resid 27 and name HE% )
( segid " " and resid 83 and name HB% )
2.500 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.66995E-02 ppm1 1.753 ppm2 1.328 CV 1
ASSI { 411}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 27 and name HB2 ))
3.100 1.300 1.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.25458E-02 ppm1 1.752 ppm2 1.157 CV 1
ASSI { 412}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 27 and name HB3 ))
3.100 1.300 1.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.28138E-02 ppm1 1.753 ppm2 0.428 CV 1
ASSI { 414}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 39 and name HB2 ))
4.000 2.100 2.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.81737E-03 ppm1 1.752 ppm2 3.392 CV 1
ASSI { 415}
( segid " " and resid 27 and name HE% )
( segid " " and resid 39 and name HD% )
2.600 1.000 1.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.35776E-02 ppm1 1.753 ppm2 6.602 CV 1
ASSI { 416}
( segid " " and resid 27 and name HE% )
( segid " " and resid 54 and name HD% )
4.200 2.400 1.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.61635E-03 ppm1 1.755 ppm2 7.008 CV 1
ASSI { 417}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 39 and name HZ ))
4.200 2.400 1.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.93121E-03 ppm1 1.753 ppm2 5.531 CV 1
ASSI { 420}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HB2 ))
2.300 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.52591E-02 ppm1 2.130 ppm2 2.416 CV 1
ASSI { 422}
(( segid " " and resid 95 and name HD3 ))
(( segid " " and resid 94 and name HA ))
2.900 1.200 1.200 peak 422 spectrum 1 weight 0.10000E+01 volume 0.25190E-02 ppm1 3.524 ppm2 4.919 CV 1
ASSI { 423}
(( segid " " and resid 95 and name HD2 ))
(( segid " " and resid 94 and name HA ))
2.600 1.000 1.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.34369E-02 ppm1 3.741 ppm2 4.909 CV 1
ASSI { 425}
( segid " " and resid 12 and name HB% )
(( segid " " and resid 9 and name HA ))
3.600 1.700 1.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.34235E-03 ppm1 0.995 ppm2 4.804 CV 1
ASSI { 426}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 15 and name HB% )
3.700 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.93795E-03 ppm1 5.031 ppm2 1.887 CV 1
ASSI { 427}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HA ))
3.400 1.600 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.87766E-03 ppm1 1.437 ppm2 4.341 CV 1
ASSI { 428}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 13 and name HB3 ))
2.800 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.48304E-02 ppm1 0.211 ppm2 2.115 CV 1
ASSI { 429}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 13 and name HB2 ))
3.100 1.300 1.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 0.213 ppm2 3.397 CV 1
ASSI { 431}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HD2 ))
4.100 2.300 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.53060E-03 ppm1 2.418 ppm2 4.009 CV 1
ASSI { 432}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HB3 ))
2.300 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.30818E-02 ppm1 2.417 ppm2 2.243 CV 1
ASSI { 433}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HA ))
3.200 1.400 1.400 peak 433 spectrum 1 weight 0.10000E+01 volume 0.23114E-02 ppm1 2.391 ppm2 4.258 CV 1
ASSI { 434}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 86 and name HB2 ))
2.700 1.100 1.100 peak 434 spectrum 1 weight 0.10000E+01 volume 0.19965E-02 ppm1 1.213 ppm2 2.088 CV 1
OR { 434}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 86 and name HG2 ))
ASSI { 435}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 39 and name HA ))
6.000 6.000 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.33698E-03 ppm1 1.753 ppm2 4.061 CV 1
ASSI { 436}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HB3 ))
1.900 0.600 0.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.91786E-02 ppm1 1.661 ppm2 1.529 CV 1
ASSI { 437}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HB2 ))
2.000 0.700 0.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.69672E-02 ppm1 2.380 ppm2 2.982 CV 1
ASSI { 438}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HB3 ))
2.200 0.700 0.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.47299E-02 ppm1 3.506 ppm2 2.723 CV 1
ASSI { 439}
(( segid " " and resid 47 and name HG2 ))
(( segid " " and resid 47 and name HG3 ))
1.500 0.400 0.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.30148E-01 ppm1 1.736 ppm2 1.559 CV 1
ASSI { 441}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HA ))
3.300 1.500 1.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.72356E-03 ppm1 0.709 ppm2 4.530 CV 1
ASSI { 443}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 27 and name HE% )
3.400 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.97815E-03 ppm1 4.480 ppm2 1.746 CV 1
ASSI { 444}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 54 and name HD% )
4.500 2.600 1.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.44083E-03 ppm1 5.049 ppm2 7.020 CV 1
ASSI { 445}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 48 and name HD1%)
4.400 2.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.45490E-03 ppm1 5.191 ppm2 -0.262 CV 1
ASSI { 446}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 48 and name HD1%)
3.200 1.500 1.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.83747E-03 ppm1 2.818 ppm2 -0.266 CV 1
ASSI { 447}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 48 and name HD1%)
3.800 2.000 2.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.96473E-03 ppm1 2.956 ppm2 -0.272 CV 1
ASSI { 448}
(( segid " " and resid 57 and name HB ))
( segid " " and resid 62 and name HE% )
2.700 1.000 1.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.28004E-02 ppm1 1.849 ppm2 7.294 CV 1
ASSI { 449}
(( segid " " and resid 57 and name HB ))
(( segid " " and resid 57 and name HG13))
3.200 1.500 1.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.11322E-02 ppm1 1.853 ppm2 1.201 CV 1
ASSI { 450}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 68 and name HG2 ))
2.600 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.28808E-02 ppm1 2.629 ppm2 1.438 CV 1
ASSI { 451}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 68 and name HG2 ))
3.100 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.25190E-02 ppm1 2.541 ppm2 1.441 CV 1
ASSI { 452}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 68 and name HG3 ))
3.100 1.400 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.30885E-02 ppm1 2.630 ppm2 1.172 CV 1
ASSI { 453}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 68 and name HG3 ))
2.700 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.18356E-02 ppm1 2.539 ppm2 1.168 CV 1
ASSI { 454}
(( segid " " and resid 68 and name HD2 ))
( segid " " and resid 57 and name HD1%)
3.200 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 2.630 ppm2 0.770 CV 1
ASSI { 458}
(( segid " " and resid 72 and name HB ))
(( segid " " and resid 69 and name HA ))
3.100 3.100 2.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.73692E-03 ppm1 1.799 ppm2 3.924 CV 1
ASSI { 460}
(( segid " " and resid 84 and name HG2 ))
(( segid " " and resid 84 and name HD2 ))
3.100 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.75701E-03 ppm1 2.221 ppm2 3.821 CV 1
ASSI { 462}
(( segid " " and resid 84 and name HD3 ))
( segid " " and resid 54 and name HD% )
3.800 1.900 1.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.73024E-03 ppm1 3.186 ppm2 7.012 CV 1
ASSI { 463}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 86 and name HD2 ))
3.600 1.700 1.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.23516E-02 ppm1 3.166 ppm2 3.773 CV 1
ASSI { 464}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 86 and name HD2 ))
2.900 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.11925E-02 ppm1 2.844 ppm2 3.765 CV 1
ASSI { 465}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HA ))
3.200 1.400 1.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.11456E-02 ppm1 2.850 ppm2 4.524 CV 1
ASSI { 466}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HA ))
3.300 1.500 1.500 peak 466 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 3.174 ppm2 4.526 CV 1
ASSI { 467}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HA ))
3.800 2.000 2.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.14270E-02 ppm1 2.094 ppm2 4.756 CV 1
ASSI { 468}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HB3 ))
2.900 1.200 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.40063E-02 ppm1 2.094 ppm2 1.850 CV 1
ASSI { 470}
(( segid " " and resid 90 and name HB3 ))
(( segid " " and resid 91 and name HD3 ))
5.400 3.800 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.22242E-03 ppm1 1.494 ppm2 3.598 CV 1
ASSI { 471}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HA ))
2.900 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.35239E-02 ppm1 3.070 ppm2 4.761 CV 1
ASSI { 472}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HA ))
2.600 1.000 1.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.43480E-02 ppm1 2.640 ppm2 4.763 CV 1
ASSI { 473}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 93 and name HB2 ))
4.500 2.700 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.21840E-03 ppm1 2.973 ppm2 3.778 CV 1
ASSI { 477}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 48 and name HD1%)
3.900 2.100 2.100 peak 477 spectrum 1 weight 0.10000E+01 volume 0.86424E-03 ppm1 4.580 ppm2 -0.260 CV 1
ASSI { 478}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 54 and name HD% )
3.000 1.300 1.300 peak 478 spectrum 1 weight 0.10000E+01 volume 0.39259E-02 ppm1 5.192 ppm2 7.028 CV 1
ASSI { 479}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 56 and name HB2 ))
3.400 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 0.572 ppm2 3.119 CV 1
ASSI { 480}
(( segid " " and resid 90 and name HG ))
(( segid " " and resid 90 and name HA ))
3.000 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.14806E-02 ppm1 1.557 ppm2 4.715 CV 1
ASSI { 481}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 55 and name HD2 ))
2.500 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.60831E-02 ppm1 4.132 ppm2 6.551 CV 1
ASSI { 482}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB3 ))
2.500 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.11858E-01 ppm1 4.423 ppm2 3.260 CV 1
ASSI { 484}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 20 and name HG12))
3.700 3.700 2.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.13667E-02 ppm1 4.196 ppm2 1.294 CV 1
ASSI { 485}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 35 and name HE1 ))
3.500 1.700 1.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.66995E-03 ppm1 2.117 ppm2 7.363 CV 1
ASSI { 486}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 34 and name HE% )
3.800 1.900 1.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.62909E-03 ppm1 2.983 ppm2 6.732 CV 1
ASSI { 487}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.500 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.51720E-02 ppm1 4.575 ppm2 2.176 CV 1
ASSI { 489}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 86 and name HB2 ))
3.700 1.900 1.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.70347E-03 ppm1 1.812 ppm2 2.092 CV 1
OR { 489}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 86 and name HG2 ))
ASSI { 491}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HE% )
4.300 2.400 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.73024E-03 ppm1 5.936 ppm2 6.744 CV 1
ASSI { 492}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 13 and name HB3 ))
4.100 2.200 1.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.71682E-03 ppm1 5.935 ppm2 2.123 CV 1
ASSI { 494}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HB ))
2.300 0.800 0.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.10049E-01 ppm1 1.227 ppm2 4.152 CV 1
ASSI { 495}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 66 and name HA ))
4.300 2.500 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.64852E-03 ppm1 1.220 ppm2 4.967 CV 1
ASSI { 496}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 55 and name HB3 ))
4.100 2.300 1.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.58219E-03 ppm1 5.216 ppm2 2.793 CV 1
ASSI { 497}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 62 and name HB2 ))
4.000 2.100 2.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.78385E-03 ppm1 3.617 ppm2 3.277 CV 1
ASSI { 498}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 47 and name HD3 ))
2.500 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.58822E-02 ppm1 3.998 ppm2 3.145 CV 1
OR { 498}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 47 and name HD2 ))
ASSI { 1}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA2 ))
3.100 1.400 1.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.22703E-02 ppm1 8.318 ppm2 3.910 CV 1
ASSI { 2}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
2.400 0.900 0.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.44102E-02 ppm1 8.337 ppm2 7.991 CV 1
ASSI { 4}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.800 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.24583E-02 ppm1 8.336 ppm2 4.578 CV 1
ASSI { 6}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.400 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.42275E-02 ppm1 8.336 ppm2 2.162 CV 1
ASSI { 7}
(( segid " " and resid 18 and name HE21))
(( segid " " and resid 7 and name HB3 ))
2.800 2.800 3.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.12996E-02 ppm1 6.913 ppm2 2.977 CV 1
ASSI { 8}
(( segid " " and resid 30 and name HE22))
(( segid " " and resid 30 and name HE21))
1.800 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.18059E-01 ppm1 6.771 ppm2 7.291 CV 1
ASSI { 10}
(( segid " " and resid 30 and name HE21))
( segid " " and resid 56 and name HD% )
3.800 1.900 1.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.50887E-03 ppm1 7.297 ppm2 7.038 CV 1
ASSI { 11}
(( segid " " and resid 58 and name HD21))
(( segid " " and resid 58 and name HD22))
1.800 0.500 0.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.18868E-01 ppm1 7.631 ppm2 6.882 CV 1
ASSI { 12}
(( segid " " and resid 32 and name HD21))
(( segid " " and resid 32 and name HD22))
1.800 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.20642E-01 ppm1 7.548 ppm2 6.895 CV 1
ASSI { 13}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HD22))
1.500 0.400 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.58455E-01 ppm1 6.900 ppm2 7.570 CV 1
ASSI { 15}
(( segid " " and resid 46 and name HD22))
(( segid " " and resid 46 and name HD21))
1.900 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.13152E-01 ppm1 7.094 ppm2 7.709 CV 1
ASSI { 16}
(( segid " " and resid 46 and name HD22))
(( segid " " and resid 46 and name HB3 ))
3.800 2.000 2.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.16623E-02 ppm1 7.093 ppm2 3.078 CV 1
ASSI { 17}
(( segid " " and resid 46 and name HD22))
(( segid " " and resid 46 and name HB2 ))
4.300 2.500 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.81940E-03 ppm1 7.093 ppm2 2.652 CV 1
ASSI { 19}
(( segid " " and resid 46 and name HD21))
(( segid " " and resid 46 and name HB3 ))
2.900 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.17824E-02 ppm1 7.714 ppm2 3.077 CV 1
ASSI { 20}
(( segid " " and resid 46 and name HD21))
(( segid " " and resid 46 and name HB2 ))
3.600 1.700 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.85855E-03 ppm1 7.715 ppm2 2.644 CV 1
ASSI { 21}
(( segid " " and resid 58 and name HD21))
(( segid " " and resid 58 and name HB3 ))
3.100 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.20355E-02 ppm1 7.632 ppm2 2.783 CV 1
ASSI { 22}
(( segid " " and resid 67 and name HE ))
(( segid " " and resid 75 and name HA1 ))
3.600 1.800 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.91072E-03 ppm1 6.880 ppm2 4.785 CV 1
ASSI { 23}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
3.500 1.700 1.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.92381E-03 ppm1 8.339 ppm2 4.503 CV 1
ASSI { 24}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.500 1.700 1.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.92643E-03 ppm1 8.340 ppm2 2.988 CV 1
OR { 24}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB3 ))
ASSI { 25}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.500 0.900 0.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.60021E-02 ppm1 8.020 ppm2 4.613 CV 1
ASSI { 26}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HA ))
5.100 3.400 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.15710E-03 ppm1 8.020 ppm2 4.243 CV 1
ASSI { 27}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
3.300 1.500 1.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11247E-02 ppm1 8.021 ppm2 4.041 CV 1
ASSI { 28}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB3 ))
3.200 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.16702E-02 ppm1 8.020 ppm2 2.983 CV 1
OR { 28}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
ASSI { 29}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
2.900 1.200 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 8.020 ppm2 1.731 CV 1
ASSI { 30}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG13))
3.200 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 8.020 ppm2 1.119 CV 1
ASSI { 31}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
3.800 2.000 2.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11273E-02 ppm1 8.019 ppm2 0.824 CV 1
OR { 31}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HD1%)
ASSI { 32}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 9 and name HA ))
3.300 3.300 2.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.19181E-02 ppm1 8.241 ppm2 4.783 CV 1
ASSI { 33}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.200 0.800 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.81423E-02 ppm1 8.241 ppm2 4.043 CV 1
ASSI { 34}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.600 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.49061E-02 ppm1 8.241 ppm2 1.705 CV 1
OR { 34}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB3 ))
ASSI { 35}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG ))
2.400 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.55063E-02 ppm1 8.183 ppm2 1.516 CV 1
OR { 35}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 36}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 9 and name HA ))
3.400 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.12761E-02 ppm1 8.184 ppm2 4.786 CV 1
ASSI { 37}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.300 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.68370E-02 ppm1 8.236 ppm2 4.298 CV 1
ASSI { 38}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB2 ))
2.700 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.22286E-02 ppm1 8.236 ppm2 3.162 CV 1
ASSI { 39}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB3 ))
3.300 1.500 1.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.36534E-02 ppm1 8.236 ppm2 2.978 CV 1
ASSI { 40}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA2 ))
2.300 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.11300E-01 ppm1 8.338 ppm2 3.881 CV 1
ASSI { 41}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.800 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.34447E-02 ppm1 8.335 ppm2 4.400 CV 1
ASSI { 42}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
3.200 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 8.335 ppm2 7.695 CV 1
ASSI { 43}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.700 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.35751E-02 ppm1 8.459 ppm2 4.784 CV 1
ASSI { 44}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
3.300 1.500 1.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 8.460 ppm2 4.400 CV 1
ASSI { 45}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HA1 ))
3.700 1.900 1.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.18815E-02 ppm1 8.459 ppm2 3.834 CV 1
ASSI { 46}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA2 ))
2.900 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.79852E-02 ppm1 7.698 ppm2 3.871 CV 1
ASSI { 47}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.800 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.28967E-02 ppm1 7.697 ppm2 4.430 CV 1
ASSI { 48}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HB% )
2.500 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.68370E-02 ppm1 7.697 ppm2 1.001 CV 1
ASSI { 50}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB3 ))
2.600 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.35230E-02 ppm1 7.965 ppm2 2.124 CV 1
ASSI { 51}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 12 and name HB% )
3.100 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.37578E-02 ppm1 7.965 ppm2 1.008 CV 1
ASSI { 52}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 20 and name HD1%)
3.000 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.20668E-02 ppm1 7.964 ppm2 0.213 CV 1
ASSI { 53}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 20 and name HG13))
3.700 1.900 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.66026E-03 ppm1 7.964 ppm2 0.011 CV 1
ASSI { 54}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.300 0.800 0.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.62630E-02 ppm1 7.965 ppm2 4.437 CV 1
ASSI { 55}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 5 and name HE ))
3.400 3.400 2.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12265E-02 ppm1 7.964 ppm2 7.330 CV 1
ASSI { 56}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.600 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 9.194 ppm2 2.994 CV 1
ASSI { 57}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB3 ))
4.400 2.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.73332E-03 ppm1 9.196 ppm2 2.116 CV 1
ASSI { 58}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 33 and name HG1%)
3.300 1.500 1.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.18189E-02 ppm1 9.194 ppm2 0.718 CV 1
ASSI { 59}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 20 and name HD1%)
4.000 2.100 2.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.93946E-03 ppm1 9.195 ppm2 0.211 CV 1
ASSI { 60}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB3 ))
3.300 1.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 9.194 ppm2 3.751 CV 1
ASSI { 61}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.200 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.95510E-02 ppm1 9.193 ppm2 4.196 CV 1
ASSI { 62}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 34 and name HA ))
3.500 1.700 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.88729E-03 ppm1 9.195 ppm2 5.924 CV 1
ASSI { 63}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
3.000 1.300 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 9.196 ppm2 8.951 CV 1
ASSI { 66}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
2.600 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.43841E-02 ppm1 8.959 ppm2 8.060 CV 1
ASSI { 67}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 34 and name HD% )
3.300 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12787E-02 ppm1 8.960 ppm2 6.953 CV 1
ASSI { 68}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
3.100 1.400 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.18815E-02 ppm1 8.960 ppm2 4.837 CV 1
ASSI { 69}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.200 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.16258E-02 ppm1 8.958 ppm2 4.181 CV 1
ASSI { 70}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HB% )
2.500 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.57672E-02 ppm1 8.960 ppm2 1.882 CV 1
ASSI { 71}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
3.000 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.24191E-02 ppm1 8.073 ppm2 5.036 CV 1
ASSI { 72}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HA ))
3.700 1.900 1.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.82464E-03 ppm1 8.073 ppm2 4.158 CV 1
ASSI { 73}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HA2 ))
4.200 2.400 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.84028E-03 ppm1 8.074 ppm2 3.834 CV 1
ASSI { 75}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.300 1.500 1.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.22181E-02 ppm1 8.074 ppm2 3.103 CV 1
ASSI { 76}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HB% )
2.700 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.52975E-02 ppm1 8.073 ppm2 1.883 CV 1
ASSI { 77}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 34 and name HD% )
4.600 2.800 1.400 peak 77 spectrum 1 weight 0.10000E+01 volume 0.36012E-03 ppm1 8.075 ppm2 6.970 CV 1
ASSI { 79}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA2 ))
2.600 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.56628E-02 ppm1 7.991 ppm2 3.851 CV 1
ASSI { 80}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA1 ))
2.400 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.53236E-02 ppm1 7.991 ppm2 4.121 CV 1
ASSI { 81}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.800 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.20877E-02 ppm1 7.991 ppm2 3.394 CV 1
ASSI { 82}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 13 and name HB3 ))
3.000 1.200 1.200 peak 82 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 7.990 ppm2 2.125 CV 1
ASSI { 83}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 15 and name HB% )
4.000 2.100 2.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.12030E-02 ppm1 7.991 ppm2 1.889 CV 1
ASSI { 85}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.700 1.900 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.87943E-03 ppm1 7.992 ppm2 5.035 CV 1
ASSI { 87}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HN ))
4.000 2.100 2.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10543E-02 ppm1 7.990 ppm2 8.950 CV 1
ASSI { 88}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.500 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.62369E-02 ppm1 8.650 ppm2 3.797 CV 1
OR { 88}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB3 ))
ASSI { 89}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 6 and name HA ))
3.000 1.200 1.200 peak 89 spectrum 1 weight 0.10000E+01 volume 0.21764E-02 ppm1 8.650 ppm2 4.289 CV 1
ASSI { 90}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.300 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.83766E-02 ppm1 8.650 ppm2 4.577 CV 1
ASSI { 91}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.800 2.000 2.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.14666E-02 ppm1 8.649 ppm2 2.186 CV 1
ASSI { 92}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 12 and name HB% )
3.400 1.600 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.42015E-03 ppm1 8.649 ppm2 1.007 CV 1
ASSI { 93}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB ))
2.400 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.65502E-02 ppm1 8.273 ppm2 1.432 CV 1
ASSI { 94}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HD1%)
3.600 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 8.273 ppm2 0.223 CV 1
ASSI { 95}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG13))
3.200 1.400 1.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.13622E-02 ppm1 8.275 ppm2 0.011 CV 1
ASSI { 97}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 92 and name HA ))
2.300 2.300 3.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.12448E-01 ppm1 8.271 ppm2 4.282 CV 1
ASSI { 98}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HB% )
2.400 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.81940E-02 ppm1 8.394 ppm2 1.426 CV 1
ASSI { 99}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.000 1.300 1.300 peak 99 spectrum 1 weight 0.10000E+01 volume 0.18893E-02 ppm1 8.394 ppm2 2.412 CV 1
ASSI { 100}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
2.900 1.200 1.200 peak 100 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 8.394 ppm2 4.009 CV 1
ASSI { 101}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.300 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.77508E-02 ppm1 8.394 ppm2 4.471 CV 1
ASSI { 102}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.900 1.200 1.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.19181E-02 ppm1 8.394 ppm2 7.785 CV 1
ASSI { 103}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 22 and name HB% )
2.900 1.200 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.44102E-02 ppm1 7.789 ppm2 1.417 CV 1
ASSI { 104}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.800 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.14274E-02 ppm1 7.789 ppm2 2.406 CV 1
ASSI { 105}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
2.700 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.38883E-02 ppm1 7.790 ppm2 4.031 CV 1
ASSI { 106}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.700 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.40188E-02 ppm1 7.789 ppm2 4.271 CV 1
ASSI { 110}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HD3 ))
4.200 2.300 1.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 7.647 ppm2 3.813 CV 1
ASSI { 111}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG2 ))
3.700 1.800 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 7.645 ppm2 2.378 CV 1
ASSI { 114}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HG2 ))
3.000 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 8.243 ppm2 2.380 CV 1
ASSI { 115}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB3 ))
3.500 1.700 1.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.20720E-02 ppm1 8.245 ppm2 1.225 CV 1
ASSI { 116}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
2.300 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.90293E-02 ppm1 8.243 ppm2 4.260 CV 1
ASSI { 117}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.900 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.23252E-02 ppm1 8.245 ppm2 4.492 CV 1
ASSI { 118}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
3.500 1.700 1.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.23147E-02 ppm1 8.238 ppm2 8.927 CV 1
ASSI { 119}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.400 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.42798E-02 ppm1 8.930 ppm2 4.496 CV 1
ASSI { 120}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.700 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.17667E-02 ppm1 8.931 ppm2 1.816 CV 1
ASSI { 121}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HG1%)
3.000 1.300 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.32881E-02 ppm1 8.930 ppm2 0.737 CV 1
ASSI { 122}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HG2%)
2.800 1.100 1.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.23095E-02 ppm1 8.932 ppm2 0.604 CV 1
ASSI { 123}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB ))
2.300 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.67329E-02 ppm1 8.291 ppm2 2.064 CV 1
ASSI { 124}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.700 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.23252E-02 ppm1 8.292 ppm2 1.158 CV 1
ASSI { 125}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 26 and name HG1%)
3.200 1.400 1.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.53497E-02 ppm1 8.293 ppm2 0.751 CV 1
ASSI { 126}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.500 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.47495E-02 ppm1 8.292 ppm2 4.884 CV 1
ASSI { 127}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 34 and name HB2 ))
4.500 2.700 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.18711E-03 ppm1 8.292 ppm2 3.123 CV 1
ASSI { 128}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.400 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.54802E-02 ppm1 8.109 ppm2 4.689 CV 1
ASSI { 129}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB3 ))
3.000 1.300 1.300 peak 129 spectrum 1 weight 0.10000E+01 volume 0.21112E-02 ppm1 8.107 ppm2 1.527 CV 1
ASSI { 130}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.300 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.78025E-02 ppm1 8.123 ppm2 5.149 CV 1
ASSI { 131}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 29 and name HB% )
2.700 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.47495E-02 ppm1 8.125 ppm2 1.363 CV 1
ASSI { 132}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
3.300 1.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 8.126 ppm2 1.659 CV 1
ASSI { 133}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.900 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 9.306 ppm2 3.807 CV 1
ASSI { 134}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 29 and name HB% )
3.300 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.11508E-02 ppm1 9.307 ppm2 1.356 CV 1
ASSI { 135}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
2.400 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.47756E-02 ppm1 8.080 ppm2 2.971 CV 1
ASSI { 136}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB3 ))
3.400 1.600 1.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.30010E-02 ppm1 8.080 ppm2 2.377 CV 1
ASSI { 137}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HG1%)
2.500 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.58977E-02 ppm1 8.198 ppm2 0.713 CV 1
ASSI { 138}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB ))
3.000 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.24035E-02 ppm1 8.199 ppm2 1.738 CV 1
ASSI { 139}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB3 ))
2.700 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.31576E-02 ppm1 8.198 ppm2 2.384 CV 1
ASSI { 140}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.300 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10125E-01 ppm1 8.201 ppm2 4.806 CV 1
ASSI { 141}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 33 and name HG1%)
3.000 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.50626E-02 ppm1 8.679 ppm2 0.721 CV 1
ASSI { 142}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 34 and name HD% )
2.900 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.32881E-02 ppm1 8.678 ppm2 6.956 CV 1
ASSI { 143}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.100 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.40188E-02 ppm1 8.677 ppm2 3.134 CV 1
ASSI { 144}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
2.400 0.900 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.62109E-02 ppm1 8.676 ppm2 5.928 CV 1
ASSI { 145}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
2.800 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.23095E-02 ppm1 8.918 ppm2 8.579 CV 1
ASSI { 146}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 38 and name HN ))
4.500 2.700 1.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.31576E-03 ppm1 8.919 ppm2 7.437 CV 1
ASSI { 147}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
2.700 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.33925E-02 ppm1 8.919 ppm2 4.768 CV 1
ASSI { 148}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
3.100 1.300 1.300 peak 148 spectrum 1 weight 0.10000E+01 volume 0.16623E-02 ppm1 8.919 ppm2 3.874 CV 1
ASSI { 149}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.700 1.900 1.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.20564E-02 ppm1 8.920 ppm2 3.591 CV 1
ASSI { 150}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 27 and name HE% )
2.800 2.800 3.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.54802E-02 ppm1 8.919 ppm2 1.770 CV 1
ASSI { 151}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB3 ))
2.400 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.78025E-02 ppm1 8.581 ppm2 1.832 CV 1
ASSI { 152}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.700 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.33403E-02 ppm1 8.581 ppm2 3.993 CV 1
ASSI { 153}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 35 and name HA ))
3.800 2.000 2.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 8.581 ppm2 4.765 CV 1
ASSI { 154}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
2.800 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.23565E-02 ppm1 8.581 ppm2 7.435 CV 1
ASSI { 156}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.000 1.300 1.300 peak 156 spectrum 1 weight 0.10000E+01 volume 0.22129E-02 ppm1 7.433 ppm2 1.856 CV 1
ASSI { 157}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB3 ))
3.100 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.24948E-02 ppm1 7.434 ppm2 3.147 CV 1
ASSI { 158}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
3.000 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.19755E-02 ppm1 7.434 ppm2 4.391 CV 1
ASSI { 160}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB3 ))
3.600 1.800 1.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.14640E-02 ppm1 7.462 ppm2 3.145 CV 1
ASSI { 161}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB3 ))
3.000 1.300 1.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.30010E-02 ppm1 7.461 ppm2 2.344 CV 1
ASSI { 162}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 40 and name HG2%)
3.300 1.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.12318E-02 ppm1 7.462 ppm2 0.780 CV 1
ASSI { 163}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.900 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.20851E-02 ppm1 7.461 ppm2 4.062 CV 1
ASSI { 164}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HA ))
3.400 1.600 1.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.10856E-02 ppm1 7.462 ppm2 4.393 CV 1
ASSI { 165}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 39 and name HD% )
4.200 2.300 1.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.10569E-02 ppm1 7.461 ppm2 6.580 CV 1
ASSI { 166}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
3.400 1.600 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12030E-02 ppm1 7.460 ppm2 6.902 CV 1
ASSI { 167}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 61 and name HD1%)
2.700 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.43841E-02 ppm1 6.889 ppm2 0.023 CV 1
ASSI { 168}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
2.200 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.92381E-02 ppm1 6.888 ppm2 4.079 CV 1
ASSI { 169}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
2.500 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.43841E-02 ppm1 7.976 ppm2 4.567 CV 1
ASSI { 170}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB3 ))
2.700 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.29227E-02 ppm1 7.976 ppm2 2.716 CV 1
ASSI { 171}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 40 and name HG2%)
3.700 1.900 1.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 7.975 ppm2 0.767 CV 1
ASSI { 173}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 61 and name HB2 ))
3.700 1.900 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.55063E-03 ppm1 9.059 ppm2 1.781 CV 1
ASSI { 174}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB3 ))
4.500 2.600 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.51148E-03 ppm1 9.059 ppm2 2.714 CV 1
ASSI { 175}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB2 ))
4.700 2.900 1.300 peak 175 spectrum 1 weight 0.10000E+01 volume 0.30010E-03 ppm1 9.063 ppm2 3.502 CV 1
ASSI { 176}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
2.300 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.71243E-02 ppm1 9.059 ppm2 3.779 CV 1
ASSI { 177}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
3.000 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.22625E-02 ppm1 9.060 ppm2 4.078 CV 1
ASSI { 178}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 62 and name HA ))
3.400 1.600 1.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 9.059 ppm2 5.985 CV 1
ASSI { 179}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HN ))
2.500 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.39144E-02 ppm1 8.935 ppm2 8.171 CV 1
ASSI { 180}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 45 and name HN ))
3.400 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 8.935 ppm2 7.533 CV 1
ASSI { 181}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
2.900 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.26879E-02 ppm1 8.936 ppm2 4.380 CV 1
ASSI { 182}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB ))
2.500 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.60021E-02 ppm1 8.935 ppm2 4.141 CV 1
ASSI { 184}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 43 and name HG2%)
3.700 1.900 1.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.19859E-02 ppm1 8.935 ppm2 1.231 CV 1
ASSI { 187}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
3.000 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.18398E-02 ppm1 8.174 ppm2 4.747 CV 1
ASSI { 188}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB ))
2.500 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.48539E-02 ppm1 8.173 ppm2 4.141 CV 1
ASSI { 189}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.100 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.21581E-02 ppm1 8.174 ppm2 3.308 CV 1
ASSI { 190}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB3 ))
2.900 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.22234E-02 ppm1 8.175 ppm2 3.140 CV 1
ASSI { 191}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
2.200 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.93684E-02 ppm1 7.541 ppm2 4.115 CV 1
ASSI { 192}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
3.000 1.300 1.300 peak 192 spectrum 1 weight 0.10000E+01 volume 0.24243E-02 ppm1 7.542 ppm2 4.755 CV 1
ASSI { 193}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.600 1.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.22573E-02 ppm1 7.540 ppm2 3.484 CV 1
ASSI { 194}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB3 ))
3.500 1.700 1.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.19311E-02 ppm1 7.541 ppm2 3.121 CV 1
ASSI { 195}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 41 and name HB3 ))
3.600 1.800 1.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.60543E-03 ppm1 7.538 ppm2 2.706 CV 1
ASSI { 196}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HN ))
2.300 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.62369E-02 ppm1 7.541 ppm2 8.188 CV 1
ASSI { 198}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
2.700 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.32359E-02 ppm1 8.226 ppm2 7.534 CV 1
ASSI { 199}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HD22))
5.000 3.300 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.54802E-03 ppm1 8.228 ppm2 7.093 CV 1
ASSI { 200}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.200 1.500 1.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.26618E-02 ppm1 8.226 ppm2 3.491 CV 1
ASSI { 201}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 65 and name HB3 ))
3.600 3.600 2.400 peak 201 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 8.232 ppm2 3.275 CV 1
ASSI { 202}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
2.600 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.44363E-02 ppm1 8.226 ppm2 2.659 CV 1
ASSI { 203}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
2.300 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.86378E-02 ppm1 8.598 ppm2 4.760 CV 1
ASSI { 204}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
2.900 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 8.598 ppm2 3.983 CV 1
ASSI { 205}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 45 and name HD3 ))
2.600 2.600 3.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.23017E-02 ppm1 8.598 ppm2 3.089 CV 1
ASSI { 206}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB2 ))
3.600 1.800 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.31054E-02 ppm1 8.598 ppm2 2.647 CV 1
ASSI { 207}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.300 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.90293E-02 ppm1 8.598 ppm2 1.735 CV 1
OR { 207}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 208}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HG3 ))
3.900 2.000 2.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.83766E-03 ppm1 8.599 ppm2 1.564 CV 1
ASSI { 209}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 48 and name HD2%)
3.100 1.400 1.400 peak 209 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 8.089 ppm2 0.742 CV 1
ASSI { 210}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HG ))
2.400 0.900 0.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.28184E-02 ppm1 8.089 ppm2 1.175 CV 1
ASSI { 211}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.600 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.32881E-02 ppm1 8.090 ppm2 1.544 CV 1
ASSI { 212}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HG2 ))
3.100 1.400 1.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.27923E-02 ppm1 8.089 ppm2 1.733 CV 1
OR { 212}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB3 ))
OR { 212}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
ASSI { 213}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 48 and name HD1%)
4.200 2.400 1.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 8.089 ppm2 -0.267 CV 1
ASSI { 214}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
2.600 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 8.090 ppm2 4.554 CV 1
ASSI { 215}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.200 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.50104E-02 ppm1 8.089 ppm2 3.981 CV 1
ASSI { 216}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 39 and name HD% )
3.400 1.600 1.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 8.085 ppm2 6.577 CV 1
ASSI { 217}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 49 and name HG1%)
2.500 0.900 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.83249E-02 ppm1 8.412 ppm2 0.880 CV 1
OR { 217}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 49 and name HG2%)
ASSI { 218}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB ))
2.900 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.22599E-02 ppm1 8.411 ppm2 2.221 CV 1
ASSI { 219}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 52 and name HB2 ))
3.400 1.600 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 8.411 ppm2 2.961 CV 1
ASSI { 221}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HA ))
2.100 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.86640E-02 ppm1 8.571 ppm2 3.639 CV 1
ASSI { 222}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HA1 ))
2.500 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.38883E-02 ppm1 8.571 ppm2 3.423 CV 1
ASSI { 223}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 82 and name HG2%)
2.700 1.000 1.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.25078E-02 ppm1 8.571 ppm2 0.835 CV 1
ASSI { 224}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HA2 ))
2.900 1.200 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.38361E-02 ppm1 8.570 ppm2 4.437 CV 1
ASSI { 225}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA ))
3.000 1.200 1.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.24348E-02 ppm1 8.472 ppm2 4.715 CV 1
ASSI { 226}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA2 ))
3.300 1.500 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 8.471 ppm2 4.448 CV 1
ASSI { 227}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HA ))
3.800 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.13126E-02 ppm1 8.473 ppm2 3.631 CV 1
ASSI { 228}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA1 ))
3.400 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13517E-02 ppm1 8.471 ppm2 3.424 CV 1
ASSI { 229}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB2 ))
2.500 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.50365E-02 ppm1 8.472 ppm2 2.960 CV 1
ASSI { 230}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB3 ))
2.900 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.31054E-02 ppm1 8.472 ppm2 2.639 CV 1
ASSI { 231}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 83 and name HB% )
2.800 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.37317E-02 ppm1 8.472 ppm2 1.330 CV 1
ASSI { 232}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 49 and name HB ))
3.700 3.700 2.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.25652E-03 ppm1 8.691 ppm2 2.208 CV 1
ASSI { 233}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB3 ))
2.500 0.900 0.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.27401E-02 ppm1 8.691 ppm2 2.641 CV 1
ASSI { 234}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB2 ))
4.000 2.200 2.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.23043E-02 ppm1 8.691 ppm2 2.957 CV 1
ASSI { 235}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HA ))
3.000 1.300 1.300 peak 235 spectrum 1 weight 0.10000E+01 volume 0.14405E-02 ppm1 8.692 ppm2 5.041 CV 1
ASSI { 236}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
2.800 1.100 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.21816E-02 ppm1 8.863 ppm2 5.031 CV 1
ASSI { 237}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 82 and name HD1%)
5.400 3.800 0.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.15422E-03 ppm1 8.861 ppm2 0.751 CV 1
ASSI { 238}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 61 and name HD1%)
3.700 1.900 1.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.22938E-03 ppm1 9.212 ppm2 0.028 CV 1
ASSI { 239}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB2 ))
4.200 2.300 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.96558E-03 ppm1 9.212 ppm2 1.784 CV 1
ASSI { 240}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB3 ))
3.800 2.000 2.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.13596E-02 ppm1 9.215 ppm2 2.592 CV 1
ASSI { 241}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
2.300 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.69417E-02 ppm1 9.212 ppm2 5.202 CV 1
ASSI { 242}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 56 and name HA ))
3.600 1.800 1.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.81161E-03 ppm1 9.215 ppm2 5.726 CV 1
ASSI { 243}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 57 and name HN ))
3.300 3.300 2.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.18972E-02 ppm1 9.214 ppm2 8.892 CV 1
ASSI { 244}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 54 and name HD% )
3.000 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.20616E-02 ppm1 9.285 ppm2 7.005 CV 1
ASSI { 245}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HD2 ))
3.500 1.700 1.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.12369E-02 ppm1 9.285 ppm2 6.539 CV 1
ASSI { 246}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.700 1.100 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.30533E-02 ppm1 9.285 ppm2 5.192 CV 1
ASSI { 248}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB3 ))
3.300 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.36534E-02 ppm1 9.286 ppm2 2.797 CV 1
ASSI { 250}
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(( segid " " and resid 56 and name HB2 ))
2.700 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.35491E-02 ppm1 8.859 ppm2 3.125 CV 1
ASSI { 251}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
2.400 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.56368E-02 ppm1 8.858 ppm2 4.677 CV 1
ASSI { 252}
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(( segid " " and resid 60 and name HN ))
2.900 1.200 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.18528E-02 ppm1 8.884 ppm2 7.630 CV 1
ASSI { 253}
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( segid " " and resid 56 and name HD% )
3.800 2.000 2.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.18398E-02 ppm1 8.884 ppm2 7.047 CV 1
ASSI { 254}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
2.200 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.69417E-02 ppm1 8.883 ppm2 5.716 CV 1
ASSI { 255}
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(( segid " " and resid 57 and name HA ))
3.100 1.400 1.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 8.885 ppm2 4.324 CV 1
ASSI { 256}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB ))
2.700 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.25287E-02 ppm1 8.884 ppm2 1.842 CV 1
ASSI { 257}
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(( segid " " and resid 57 and name HA ))
2.600 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.31316E-02 ppm1 9.370 ppm2 4.341 CV 1
ASSI { 258}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 57 and name HG2%)
3.600 1.700 1.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.87419E-03 ppm1 9.371 ppm2 0.844 CV 1
ASSI { 259}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 56 and name HH ))
4.800 3.000 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.55323E-03 ppm1 7.409 ppm2 9.355 CV 1
ASSI { 260}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 56 and name HE% )
4.000 2.100 2.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.75420E-03 ppm1 7.411 ppm2 6.796 CV 1
ASSI { 261}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
2.900 1.200 1.200 peak 261 spectrum 1 weight 0.10000E+01 volume 0.24426E-02 ppm1 7.411 ppm2 4.361 CV 1
ASSI { 262}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA2 ))
3.000 1.300 1.300 peak 262 spectrum 1 weight 0.10000E+01 volume 0.35751E-02 ppm1 7.410 ppm2 4.210 CV 1
ASSI { 263}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA1 ))
2.400 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.48278E-02 ppm1 7.410 ppm2 3.541 CV 1
ASSI { 264}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 56 and name HN ))
2.600 2.600 3.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21581E-02 ppm1 7.634 ppm2 8.869 CV 1
ASSI { 265}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 56 and name HA ))
4.400 2.600 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.33142E-03 ppm1 7.639 ppm2 5.718 CV 1
ASSI { 266}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
2.900 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.23930E-02 ppm1 7.635 ppm2 4.749 CV 1
ASSI { 267}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB2 ))
2.600 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.34186E-02 ppm1 7.635 ppm2 3.735 CV 1
ASSI { 268}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB3 ))
3.200 1.400 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17171E-02 ppm1 8.227 ppm2 3.432 CV 1
ASSI { 269}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HG ))
2.700 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 8.227 ppm2 1.551 CV 1
ASSI { 270}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HZ ))
4.600 2.800 1.400 peak 270 spectrum 1 weight 0.10000E+01 volume 0.34968E-03 ppm1 8.227 ppm2 7.238 CV 1
ASSI { 271}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 48 and name HD2%)
3.600 1.800 1.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.10178E-02 ppm1 9.709 ppm2 0.724 CV 1
ASSI { 272}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 41 and name HB3 ))
3.500 1.600 1.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.15371E-02 ppm1 9.708 ppm2 2.720 CV 1
ASSI { 273}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB3 ))
3.000 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 9.710 ppm2 2.987 CV 1
ASSI { 274}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
2.500 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.46190E-02 ppm1 9.708 ppm2 5.990 CV 1
ASSI { 275}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 62 and name HD% )
4.300 2.500 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.63935E-03 ppm1 9.711 ppm2 7.097 CV 1
ASSI { 276}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
2.600 1.000 1.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.39927E-02 ppm1 8.472 ppm2 4.964 CV 1
ASSI { 277}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
2.900 1.200 1.200 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24113E-02 ppm1 8.473 ppm2 4.143 CV 1
ASSI { 278}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB2 ))
2.600 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 8.472 ppm2 3.667 CV 1
ASSI { 279}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB3 ))
3.700 1.800 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.25548E-02 ppm1 8.472 ppm2 2.988 CV 1
ASSI { 280}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB3 ))
2.700 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.34968E-02 ppm1 8.473 ppm2 1.923 CV 1
ASSI { 281}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HN ))
2.700 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.34708E-02 ppm1 8.355 ppm2 8.077 CV 1
ASSI { 282}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
2.900 1.200 1.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.355 ppm2 4.422 CV 1
ASSI { 283}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB2 ))
2.300 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.72808E-02 ppm1 8.355 ppm2 3.297 CV 1
ASSI { 284}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB3 ))
2.900 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.21425E-02 ppm1 8.355 ppm2 1.922 CV 1
ASSI { 285}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
3.000 1.300 1.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.22234E-02 ppm1 8.075 ppm2 4.951 CV 1
ASSI { 286}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HN ))
2.700 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.34447E-02 ppm1 8.077 ppm2 7.115 CV 1
ASSI { 288}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG3 ))
3.800 2.000 2.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.11482E-02 ppm1 7.114 ppm2 0.693 CV 1
ASSI { 289}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB3 ))
2.800 1.100 1.100 peak 289 spectrum 1 weight 0.10000E+01 volume 0.48799E-02 ppm1 7.114 ppm2 1.261 CV 1
ASSI { 290}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB2 ))
2.600 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.39666E-02 ppm1 7.114 ppm2 1.442 CV 1
ASSI { 291}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA ))
2.800 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.27140E-02 ppm1 7.115 ppm2 3.618 CV 1
ASSI { 292}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
3.100 1.400 1.400 peak 292 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 7.115 ppm2 4.956 CV 1
ASSI { 294}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 69 and name HG2%)
3.100 1.400 1.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.23512E-02 ppm1 8.009 ppm2 1.150 CV 1
ASSI { 295}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB3 ))
3.800 1.900 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.94987E-03 ppm1 8.010 ppm2 1.659 CV 1
ASSI { 296}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB2 ))
3.300 1.500 1.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.15318E-02 ppm1 8.009 ppm2 1.828 CV 1
ASSI { 297}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
3.100 1.400 1.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.16884E-02 ppm1 8.009 ppm2 3.925 CV 1
ASSI { 298}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
2.300 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.74896E-02 ppm1 8.009 ppm2 4.249 CV 1
ASSI { 299}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
2.700 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.34186E-02 ppm1 8.124 ppm2 4.200 CV 1
ASSI { 300}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
3.100 1.400 1.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 8.124 ppm2 3.926 CV 1
ASSI { 301}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 70 and name HB% )
2.800 1.100 1.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.36274E-02 ppm1 8.125 ppm2 1.290 CV 1
ASSI { 302}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 68 and name HA ))
2.900 2.900 3.100 peak 302 spectrum 1 weight 0.10000E+01 volume 0.60282E-02 ppm1 7.890 ppm2 4.226 CV 1
ASSI { 303}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB3 ))
2.300 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.85331E-02 ppm1 7.889 ppm2 1.531 CV 1
OR { 303}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB2 ))
ASSI { 304}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 70 and name HB% )
3.500 1.700 1.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.17093E-02 ppm1 7.889 ppm2 1.298 CV 1
ASSI { 306}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB ))
2.600 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.48016E-02 ppm1 7.834 ppm2 1.793 CV 1
ASSI { 307}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HG2%)
3.000 1.300 1.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.24687E-02 ppm1 7.834 ppm2 0.836 CV 1
ASSI { 308}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
2.900 1.200 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.23147E-02 ppm1 7.835 ppm2 4.062 CV 1
ASSI { 309}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.600 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.53758E-02 ppm1 7.834 ppm2 4.270 CV 1
ASSI { 310}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB ))
3.500 1.700 1.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.91072E-03 ppm1 8.512 ppm2 1.788 CV 1
ASSI { 311}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
2.700 1.100 1.100 peak 311 spectrum 1 weight 0.10000E+01 volume 0.36012E-02 ppm1 8.512 ppm2 4.061 CV 1
ASSI { 312}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HN ))
3.500 1.700 1.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.11926E-02 ppm1 8.512 ppm2 7.834 CV 1
ASSI { 313}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HA ))
3.500 1.600 1.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 8.553 ppm2 4.487 CV 1
ASSI { 314}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 75 and name HA1 ))
3.800 2.000 2.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.12839E-02 ppm1 8.555 ppm2 4.776 CV 1
ASSI { 315}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HA2 ))
3.100 1.400 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.23930E-02 ppm1 8.554 ppm2 4.005 CV 1
ASSI { 317}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HN ))
6.000 4.800 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.61587E-04 ppm1 8.430 ppm2 8.066 CV 1
ASSI { 318}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 55 and name HE1 ))
3.900 2.000 2.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.57411E-03 ppm1 8.430 ppm2 7.546 CV 1
ASSI { 319}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 75 and name HA1 ))
2.700 2.700 3.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.17458E-02 ppm1 8.432 ppm2 4.771 CV 1
ASSI { 320}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA ))
2.900 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.27662E-02 ppm1 8.432 ppm2 4.554 CV 1
ASSI { 321}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA1 ))
2.700 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.36534E-02 ppm1 8.433 ppm2 3.568 CV 1
ASSI { 322}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HA ))
3.000 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.23486E-02 ppm1 8.063 ppm2 4.524 CV 1
ASSI { 323}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA1 ))
2.500 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.56628E-02 ppm1 8.064 ppm2 3.574 CV 1
ASSI { 324}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA2 ))
2.800 1.100 1.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.58716E-02 ppm1 8.063 ppm2 3.440 CV 1
ASSI { 325}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB ))
2.400 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.64196E-02 ppm1 8.340 ppm2 1.793 CV 1
ASSI { 326}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HG12))
2.700 1.100 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.25313E-02 ppm1 8.341 ppm2 1.436 CV 1
ASSI { 327}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HG13))
3.500 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.29227E-02 ppm1 8.341 ppm2 1.200 CV 1
ASSI { 328}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 82 and name HG2%)
3.500 1.700 1.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 8.340 ppm2 0.811 CV 1
ASSI { 329}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB2 ))
3.300 1.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.34447E-02 ppm1 8.340 ppm2 3.425 CV 1
ASSI { 331}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 54 and name HD% )
3.900 2.100 2.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.43058E-03 ppm1 9.643 ppm2 6.998 CV 1
ASSI { 333}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 83 and name HB% )
3.300 1.500 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.99687E-03 ppm1 9.645 ppm2 1.332 CV 1
ASSI { 334}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 82 and name HG2%)
3.500 1.700 1.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.68631E-03 ppm1 9.642 ppm2 0.815 CV 1
ASSI { 335}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 85 and name HD% )
3.000 1.300 1.300 peak 335 spectrum 1 weight 0.10000E+01 volume 0.20224E-02 ppm1 7.891 ppm2 7.397 CV 1
ASSI { 336}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HA ))
2.500 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.66026E-02 ppm1 7.891 ppm2 4.575 CV 1
ASSI { 337}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB2 ))
2.700 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.28184E-02 ppm1 7.891 ppm2 3.172 CV 1
ASSI { 338}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB3 ))
3.100 1.400 1.400 peak 338 spectrum 1 weight 0.10000E+01 volume 0.46451E-02 ppm1 7.891 ppm2 2.844 CV 1
ASSI { 339}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HB2 ))
2.700 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.37578E-02 ppm1 7.891 ppm2 2.415 CV 1
ASSI { 340}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HB3 ))
3.300 1.500 1.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.19990E-02 ppm1 7.892 ppm2 2.262 CV 1
ASSI { 341}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 27 and name HG3 ))
2.700 2.700 3.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 8.806 ppm2 1.880 CV 1
ASSI { 342}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB2 ))
2.700 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.61326E-02 ppm1 8.806 ppm2 2.099 CV 1
ASSI { 343}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
2.200 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.10464E-01 ppm1 8.806 ppm2 4.732 CV 1
ASSI { 344}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HA ))
2.300 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.74634E-02 ppm1 8.558 ppm2 4.714 CV 1
ASSI { 345}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HA ))
3.000 1.300 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.19416E-02 ppm1 8.558 ppm2 4.338 CV 1
ASSI { 346}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HB2 ))
3.000 1.300 1.300 peak 346 spectrum 1 weight 0.10000E+01 volume 0.35491E-02 ppm1 8.558 ppm2 2.089 CV 1
ASSI { 347}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HB3 ))
2.800 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.33925E-02 ppm1 8.558 ppm2 1.928 CV 1
ASSI { 348}
(( segid " " and resid 88 and name HN ))
( segid " " and resid 88 and name HB% )
2.300 0.800 0.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.96034E-02 ppm1 8.558 ppm2 1.330 CV 1
ASSI { 349}
(( segid " " and resid 88 and name HN ))
( segid " " and resid 25 and name HD2%)
3.300 1.500 1.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.16702E-02 ppm1 8.557 ppm2 0.719 CV 1
ASSI { 350}
(( segid " " and resid 89 and name HN ))
( segid " " and resid 89 and name HB% )
2.300 0.800 0.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.88205E-02 ppm1 8.471 ppm2 1.352 CV 1
ASSI { 351}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA ))
3.000 1.200 1.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.24269E-02 ppm1 8.471 ppm2 3.936 CV 1
ASSI { 352}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HA ))
2.300 0.800 0.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.81678E-02 ppm1 8.471 ppm2 4.329 CV 1
ASSI { 353}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 90 and name HN ))
3.200 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.471 ppm2 8.060 CV 1
ASSI { 354}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HA ))
2.800 1.100 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.49322E-02 ppm1 8.069 ppm2 3.936 CV 1
ASSI { 355}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 89 and name HB% )
2.400 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.49844E-02 ppm1 8.069 ppm2 1.349 CV 1
ASSI { 356}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HA ))
2.300 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.75937E-02 ppm1 8.170 ppm2 4.446 CV 1
ASSI { 357}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HB2 ))
3.700 1.900 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.90817E-03 ppm1 8.170 ppm2 2.274 CV 1
ASSI { 358}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 21 and name HB3 ))
3.200 3.200 2.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 8.170 ppm2 1.943 CV 1
ASSI { 359}
(( segid " " and resid 92 and name HN ))
( segid " " and resid 92 and name HG2%)
3.300 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.12918E-02 ppm1 8.171 ppm2 1.172 CV 1
ASSI { 360}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 9 and name HA ))
3.000 3.000 3.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.86640E-03 ppm1 8.186 ppm2 4.781 CV 1
ASSI { 361}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HA ))
2.600 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.53497E-02 ppm1 8.050 ppm2 4.418 CV 1
ASSI { 362}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
2.900 1.200 1.200 peak 362 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 9.306 ppm2 4.601 CV 1
ASSI { 363}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 43 and name HG2%)
3.400 1.600 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.25052E-02 ppm1 8.174 ppm2 1.234 CV 1
ASSI { 364}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HN ))
2.800 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.489 ppm2 8.078 CV 1
ASSI { 365}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA2 ))
2.700 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.42275E-02 ppm1 8.489 ppm2 4.085 CV 1
ASSI { 366}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA1 ))
2.800 1.100 1.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.41492E-02 ppm1 8.489 ppm2 3.589 CV 1
ASSI { 367}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB2 ))
3.100 3.100 2.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.22364E-02 ppm1 8.489 ppm2 2.127 CV 1
ASSI { 368}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
3.600 1.800 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.96558E-03 ppm1 8.490 ppm2 9.302 CV 1
ASSI { 369}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA2 ))
2.700 1.100 1.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.50365E-02 ppm1 8.190 ppm2 4.022 CV 1
ASSI { 370}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA1 ))
3.100 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.19729E-02 ppm1 8.191 ppm2 4.774 CV 1
ASSI { 371}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 83 and name HB% )
2.700 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.50887E-02 ppm1 8.572 ppm2 1.338 CV 1
ASSI { 372}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
2.400 0.900 0.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.60021E-02 ppm1 8.227 ppm2 4.747 CV 1
ASSI { 373}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.800 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.28706E-02 ppm1 8.235 ppm2 4.625 CV 1
ASSI { 374}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 64 and name HA ))
3.700 1.800 1.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.76199E-03 ppm1 7.114 ppm2 4.156 CV 1
ASSI { 375}
(( segid " " and resid 18 and name HE21))
(( segid " " and resid 18 and name HE22))
2.100 0.700 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.69679E-02 ppm1 6.913 ppm2 6.723 CV 1
ASSI { 376}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
3.100 1.400 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 8.320 ppm2 4.776 CV 1
ASSI { 377}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.500 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.75675E-02 ppm1 8.183 ppm2 4.229 CV 1
ASSI { 379}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB2 ))
2.000 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.14040E-01 ppm1 8.243 ppm2 1.787 CV 1
ASSI { 380}
(( segid " " and resid 5 and name HE ))
(( segid " " and resid 16 and name HB3 ))
3.000 3.000 3.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.33403E-02 ppm1 7.324 ppm2 3.109 CV 1
ASSI { 382}
(( segid " " and resid 18 and name HE22))
(( segid " " and resid 18 and name HB3 ))
4.400 2.600 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.56106E-03 ppm1 6.730 ppm2 2.383 CV 1
ASSI { 383}
(( segid " " and resid 18 and name HE22))
(( segid " " and resid 7 and name HB3 ))
2.900 2.900 3.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.10490E-02 ppm1 6.729 ppm2 2.980 CV 1
ASSI { 384}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 20 and name HD1%)
5.000 3.300 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.10934E-03 ppm1 7.696 ppm2 0.203 CV 1
ASSI { 385}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 14 and name HN ))
4.300 2.400 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.26618E-03 ppm1 8.199 ppm2 9.186 CV 1
ASSI { 386}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 39 and name HD% )
5.900 4.500 0.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.75158E-04 ppm1 8.677 ppm2 6.576 CV 1
ASSI { 387}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HG12))
4.000 2.100 2.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.12709E-02 ppm1 8.887 ppm2 1.475 CV 1
ASSI { 388}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HG13))
3.000 3.000 3.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.17432E-02 ppm1 7.834 ppm2 1.097 CV 1
ASSI { 389}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HG2 ))
3.300 1.500 1.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.18059E-02 ppm1 8.808 ppm2 2.299 CV 1
ASSI { 1}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 3 and name HD% )
3.500 1.700 1.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.95844E-03 ppm1 4.603 ppm2 7.081 CV 1
ASSI { 2}
(( segid " " and resid 3 and name HB2 ))
( segid " " and resid 3 and name HD% )
2.600 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 2.975 ppm2 7.082 CV 1
OR { 2}
(( segid " " and resid 3 and name HB3 ))
( segid " " and resid 3 and name HD% )
ASSI { 3}
( segid " " and resid 3 and name HD% )
( segid " " and resid 3 and name HE% )
2.400 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.64864E-02 ppm1 7.076 ppm2 6.789 CV 1
ASSI { 4}
(( segid " " and resid 3 and name HB3 ))
( segid " " and resid 3 and name HE% )
5.100 3.500 0.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.35821E-03 ppm1 2.972 ppm2 6.789 CV 1
ASSI { 5}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HD% )
3.300 1.500 1.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.15079E-02 ppm1 4.614 ppm2 7.223 CV 1
ASSI { 6}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 7 and name HD% )
3.000 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.19338E-02 ppm1 3.151 ppm2 7.224 CV 1
ASSI { 7}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 7 and name HD% )
2.900 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.22968E-02 ppm1 2.968 ppm2 7.223 CV 1
ASSI { 9}
( segid " " and resid 7 and name HD% )
( segid " " and resid 7 and name HE% )
2.200 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.11182E-01 ppm1 7.222 ppm2 7.315 CV 1
ASSI { 10}
( segid " " and resid 54 and name HE% )
(( segid " " and resid 54 and name HZ ))
2.300 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.83740E-02 ppm1 6.971 ppm2 7.320 CV 1
ASSI { 11}
( segid " " and resid 54 and name HD% )
(( segid " " and resid 54 and name HZ ))
3.300 1.500 1.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.30496E-02 ppm1 7.022 ppm2 7.320 CV 1
ASSI { 12}
( segid " " and resid 39 and name HE% )
(( segid " " and resid 54 and name HZ ))
4.100 2.200 1.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.60991E-03 ppm1 6.230 ppm2 7.320 CV 1
ASSI { 13}
(( segid " " and resid 39 and name HZ ))
(( segid " " and resid 54 and name HZ ))
3.700 1.900 1.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.90038E-03 ppm1 5.521 ppm2 7.319 CV 1
ASSI { 15}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 54 and name HZ ))
3.800 2.000 2.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.99955E-03 ppm1 4.469 ppm2 7.321 CV 1
ASSI { 17}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 7 and name HE% )
4.700 3.000 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.54457E-03 ppm1 2.962 ppm2 7.314 CV 1
ASSI { 18}
(( segid " " and resid 81 and name HB3 ))
(( segid " " and resid 54 and name HZ ))
3.900 2.000 2.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.90522E-03 ppm1 2.678 ppm2 7.319 CV 1
ASSI { 20}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 62 and name HE% )
4.700 2.900 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.47922E-03 ppm1 5.988 ppm2 7.282 CV 1
ASSI { 21}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 62 and name HE% )
4.700 2.900 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.55667E-03 ppm1 4.735 ppm2 7.280 CV 1
ASSI { 22}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 62 and name HE% )
4.700 2.900 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.41145E-03 ppm1 4.316 ppm2 7.281 CV 1
ASSI { 23}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 62 and name HE% )
4.000 2.100 2.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.44049E-03 ppm1 3.879 ppm2 7.281 CV 1
ASSI { 24}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 62 and name HE% )
2.800 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.25897E-02 ppm1 3.414 ppm2 7.281 CV 1
ASSI { 26}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 62 and name HE% )
4.000 2.100 2.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.13142E-02 ppm1 2.605 ppm2 7.281 CV 1
ASSI { 28}
( segid " " and resid 57 and name HG2%)
( segid " " and resid 62 and name HE% )
3.300 1.500 1.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.24929E-02 ppm1 0.832 ppm2 7.281 CV 1
ASSI { 29}
( segid " " and resid 57 and name HD1%)
( segid " " and resid 62 and name HE% )
3.400 1.600 1.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12876E-02 ppm1 0.765 ppm2 7.281 CV 1
ASSI { 30}
(( segid " " and resid 68 and name HG2 ))
( segid " " and resid 62 and name HE% )
3.100 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.15345E-02 ppm1 1.448 ppm2 7.281 CV 1
ASSI { 31}
(( segid " " and resid 68 and name HG3 ))
( segid " " and resid 62 and name HE% )
3.200 1.500 1.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12101E-02 ppm1 1.157 ppm2 7.281 CV 1
ASSI { 32}
( segid " " and resid 34 and name HE% )
( segid " " and resid 34 and name HD% )
2.100 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10964E-01 ppm1 6.728 ppm2 6.974 CV 1
ASSI { 33}
( segid " " and resid 39 and name HD% )
( segid " " and resid 34 and name HD% )
2.800 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.22412E-02 ppm1 6.584 ppm2 6.972 CV 1
ASSI { 35}
( segid " " and resid 54 and name HD% )
( segid " " and resid 54 and name HE% )
1.900 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.17644E-01 ppm1 7.018 ppm2 6.977 CV 1
ASSI { 36}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD% )
3.000 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.21637E-02 ppm1 5.931 ppm2 6.973 CV 1
ASSI { 37}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 54 and name HE% )
4.200 2.300 1.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.50100E-03 ppm1 5.715 ppm2 6.974 CV 1
ASSI { 43}
(( segid " " and resid 81 and name HB3 ))
( segid " " and resid 54 and name HE% )
3.100 1.300 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 2.678 ppm2 6.974 CV 1
ASSI { 44}
(( segid " " and resid 84 and name HD2 ))
( segid " " and resid 54 and name HE% )
3.500 1.700 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13457E-02 ppm1 3.809 ppm2 6.974 CV 1
ASSI { 45}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 34 and name HD% )
3.800 2.000 2.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.67767E-03 ppm1 4.074 ppm2 6.973 CV 1
ASSI { 49}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 54 and name HE% )
2.700 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.39693E-02 ppm1 4.469 ppm2 6.974 CV 1
ASSI { 50}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 34 and name HD% )
3.200 1.500 1.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 5.148 ppm2 6.973 CV 1
ASSI { 53}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 34 and name HD% )
4.500 2.700 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.65348E-03 ppm1 4.831 ppm2 6.973 CV 1
ASSI { 54}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 34 and name HD% )
3.200 1.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.11932E-02 ppm1 3.478 ppm2 6.973 CV 1
ASSI { 56}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HD% )
2.700 1.100 1.100 peak 56 spectrum 1 weight 0.10000E+01 volume 0.31948E-02 ppm1 2.474 ppm2 6.973 CV 1
ASSI { 57}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 34 and name HD% )
4.200 2.300 1.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.12101E-02 ppm1 2.358 ppm2 6.973 CV 1
ASSI { 58}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 34 and name HD% )
3.600 1.800 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.88342E-03 ppm1 1.148 ppm2 6.973 CV 1
ASSI { 61}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 54 and name HE% )
3.900 2.000 2.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.80114E-03 ppm1 -0.276 ppm2 6.977 CV 1
ASSI { 62}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 34 and name HD% )
3.900 2.100 2.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.59781E-03 ppm1 0.414 ppm2 6.973 CV 1
ASSI { 64}
(( segid " " and resid 56 and name HB3 ))
( segid " " and resid 54 and name HE% )
3.600 1.800 1.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.29043E-02 ppm1 2.780 ppm2 6.976 CV 1
ASSI { 65}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 54 and name HE% )
3.600 1.700 1.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.25171E-02 ppm1 2.960 ppm2 6.976 CV 1
ASSI { 67}
( segid " " and resid 39 and name HE% )
( segid " " and resid 34 and name HE% )
3.100 1.400 1.400 peak 67 spectrum 1 weight 0.10000E+01 volume 0.16046E-02 ppm1 6.231 ppm2 6.731 CV 1
ASSI { 70}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 34 and name HE% )
3.700 1.800 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.74300E-03 ppm1 8.980 ppm2 6.731 CV 1
ASSI { 72}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 34 and name HE% )
4.200 2.300 1.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.47438E-03 ppm1 5.148 ppm2 6.730 CV 1
ASSI { 74}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HE% )
4.400 2.500 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.81809E-03 ppm1 2.473 ppm2 6.731 CV 1
ASSI { 76}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HE% )
4.300 2.500 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.91242E-03 ppm1 3.109 ppm2 6.731 CV 1
ASSI { 77}
( segid " " and resid 15 and name HB% )
( segid " " and resid 34 and name HE% )
2.700 1.100 1.100 peak 77 spectrum 1 weight 0.10000E+01 volume 0.41871E-02 ppm1 1.875 ppm2 6.731 CV 1
ASSI { 78}
( segid " " and resid 29 and name HB% )
( segid " " and resid 34 and name HE% )
2.800 1.100 1.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.33642E-02 ppm1 1.348 ppm2 6.731 CV 1
ASSI { 80}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 34 and name HE% )
3.400 1.600 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10286E-02 ppm1 0.561 ppm2 6.731 CV 1
ASSI { 81}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 34 and name HE% )
2.900 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 0.009 ppm2 6.731 CV 1
ASSI { 83}
( segid " " and resid 39 and name HD% )
( segid " " and resid 34 and name HE% )
3.400 1.600 1.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.14909E-02 ppm1 6.583 ppm2 6.730 CV 1
ASSI { 84}
( segid " " and resid 26 and name HG1%)
(( segid " " and resid 35 and name HD2 ))
3.000 1.200 1.200 peak 84 spectrum 1 weight 0.10000E+01 volume 0.26381E-02 ppm1 0.729 ppm2 7.782 CV 1
ASSI { 85}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 35 and name HD2 ))
3.800 1.900 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.85436E-03 ppm1 0.203 ppm2 7.783 CV 1
ASSI { 86}
(( segid " " and resid 20 and name HG13))
(( segid " " and resid 35 and name HD2 ))
4.000 2.200 2.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.90038E-03 ppm1 0.007 ppm2 7.783 CV 1
ASSI { 87}
(( segid " " and resid 20 and name HG12))
(( segid " " and resid 35 and name HD2 ))
3.900 2.000 2.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.50342E-03 ppm1 1.273 ppm2 7.783 CV 1
ASSI { 89}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 23 and name HN ))
4.700 2.900 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.48406E-03 ppm1 1.981 ppm2 7.783 CV 1
ASSI { 90}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 23 and name HN ))
4.900 3.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.53246E-03 ppm1 3.799 ppm2 7.783 CV 1
ASSI { 91}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 23 and name HN ))
4.400 2.500 1.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.50342E-03 ppm1 3.991 ppm2 7.783 CV 1
ASSI { 92}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HD2 ))
3.400 1.600 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.22606E-02 ppm1 3.573 ppm2 7.783 CV 1
ASSI { 94}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HD2 ))
3.000 1.300 1.300 peak 94 spectrum 1 weight 0.10000E+01 volume 0.23937E-02 ppm1 4.766 ppm2 7.782 CV 1
ASSI { 95}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HD2 ))
4.400 2.600 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.59055E-03 ppm1 7.350 ppm2 7.783 CV 1
ASSI { 96}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 35 and name HE1 ))
3.500 1.700 1.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.87131E-03 ppm1 8.350 ppm2 7.355 CV 1
ASSI { 97}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 35 and name HE1 ))
4.100 2.300 1.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.46954E-03 ppm1 7.972 ppm2 7.354 CV 1
ASSI { 99}
(( segid " " and resid 20 and name HG13))
(( segid " " and resid 35 and name HE1 ))
4.100 2.300 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.45986E-03 ppm1 0.010 ppm2 7.354 CV 1
ASSI { 100}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 35 and name HE1 ))
3.900 2.100 2.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.63170E-03 ppm1 0.204 ppm2 7.354 CV 1
ASSI { 102}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 35 and name HE1 ))
2.900 1.200 1.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.33400E-02 ppm1 2.383 ppm2 7.353 CV 1
ASSI { 103}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 35 and name HE1 ))
2.600 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.51552E-02 ppm1 2.171 ppm2 7.354 CV 1
ASSI { 104}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 35 and name HE1 ))
4.600 2.800 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.42597E-03 ppm1 4.195 ppm2 7.354 CV 1
ASSI { 105}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 35 and name HE1 ))
4.200 2.300 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.83498E-03 ppm1 4.569 ppm2 7.354 CV 1
ASSI { 109}
(( segid " " and resid 39 and name HZ ))
( segid " " and resid 39 and name HD% )
3.700 1.900 1.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.13312E-02 ppm1 5.520 ppm2 6.590 CV 1
ASSI { 110}
( segid " " and resid 39 and name HE% )
( segid " " and resid 39 and name HD% )
2.100 0.700 0.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.80356E-02 ppm1 6.231 ppm2 6.590 CV 1
ASSI { 111}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 39 and name HD% )
4.700 3.000 1.300 peak 111 spectrum 1 weight 0.10000E+01 volume 0.40177E-03 ppm1 5.931 ppm2 6.589 CV 1
ASSI { 112}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 39 and name HD% )
3.200 3.200 2.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.64622E-03 ppm1 4.520 ppm2 6.588 CV 1
ASSI { 114}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 39 and name HD% )
2.900 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17475E-02 ppm1 -0.276 ppm2 6.589 CV 1
ASSI { 115}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 39 and name HD% )
2.700 1.000 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.31706E-02 ppm1 0.010 ppm2 6.589 CV 1
ASSI { 116}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 39 and name HD% )
3.500 1.700 1.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.86647E-03 ppm1 0.417 ppm2 6.589 CV 1
ASSI { 117}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 39 and name HD% )
3.500 1.700 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.94633E-03 ppm1 0.561 ppm2 6.589 CV 1
ASSI { 120}
( segid " " and resid 83 and name HB% )
( segid " " and resid 39 and name HD% )
3.200 1.400 1.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16385E-02 ppm1 1.330 ppm2 6.590 CV 1
ASSI { 121}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 39 and name HD% )
2.500 0.900 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.34127E-02 ppm1 1.524 ppm2 6.589 CV 1
ASSI { 123}
(( segid " " and resid 27 and name HG3 ))
( segid " " and resid 39 and name HD% )
3.600 1.700 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.13481E-02 ppm1 1.887 ppm2 6.589 CV 1
ASSI { 124}
(( segid " " and resid 27 and name HG2 ))
( segid " " and resid 39 and name HD% )
3.800 1.900 1.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.91969E-03 ppm1 2.114 ppm2 6.589 CV 1
ASSI { 125}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HD% )
2.600 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.29528E-02 ppm1 2.347 ppm2 6.589 CV 1
ASSI { 126}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 39 and name HD% )
3.000 1.300 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 2.473 ppm2 6.589 CV 1
ASSI { 127}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 39 and name HD% )
3.200 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 3.111 ppm2 6.589 CV 1
ASSI { 128}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HD% )
2.900 1.200 1.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.34127E-02 ppm1 3.387 ppm2 6.589 CV 1
ASSI { 132}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 39 and name HE% )
3.000 1.300 1.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.17789E-02 ppm1 -0.276 ppm2 6.233 CV 1
ASSI { 133}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 39 and name HE% )
3.000 1.300 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.19507E-02 ppm1 0.010 ppm2 6.233 CV 1
ASSI { 136}
( segid " " and resid 83 and name HB% )
( segid " " and resid 39 and name HE% )
2.300 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.74058E-02 ppm1 1.332 ppm2 6.233 CV 1
ASSI { 137}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 39 and name HE% )
3.000 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.21468E-02 ppm1 1.525 ppm2 6.233 CV 1
ASSI { 139}
(( segid " " and resid 39 and name HZ ))
( segid " " and resid 39 and name HE% )
2.300 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.69221E-02 ppm1 5.520 ppm2 6.233 CV 1
ASSI { 142}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 54 and name HD% )
3.500 3.500 2.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.36304E-03 ppm1 4.959 ppm2 7.026 CV 1
ASSI { 144}
(( segid " " and resid 81 and name HB2 ))
( segid " " and resid 54 and name HD% )
3.800 1.900 1.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.69947E-03 ppm1 3.406 ppm2 7.024 CV 1
ASSI { 146}
(( segid " " and resid 39 and name HZ ))
( segid " " and resid 54 and name HD% )
3.600 1.700 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.92696E-03 ppm1 5.520 ppm2 7.024 CV 1
ASSI { 147}
( segid " " and resid 48 and name HD1%)
( segid " " and resid 54 and name HD% )
2.900 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.19120E-02 ppm1 -0.277 ppm2 7.025 CV 1
ASSI { 149}
( segid " " and resid 83 and name HB% )
( segid " " and resid 54 and name HD% )
2.800 1.100 1.100 peak 149 spectrum 1 weight 0.10000E+01 volume 0.48164E-02 ppm1 1.328 ppm2 7.024 CV 1
ASSI { 150}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 54 and name HD% )
2.600 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.44292E-02 ppm1 2.945 ppm2 7.024 CV 1
ASSI { 151}
(( segid " " and resid 81 and name HB3 ))
( segid " " and resid 54 and name HD% )
3.200 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 2.678 ppm2 7.024 CV 1
ASSI { 153}
( segid " " and resid 39 and name HD% )
( segid " " and resid 54 and name HD% )
4.100 2.300 1.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.60265E-03 ppm1 6.584 ppm2 7.022 CV 1
ASSI { 156}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HD2 ))
3.300 1.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 5.191 ppm2 6.548 CV 1
ASSI { 157}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 55 and name HD2 ))
4.000 2.200 2.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.38241E-03 ppm1 4.959 ppm2 6.549 CV 1
ASSI { 158}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HD2 ))
4.200 2.400 1.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.49858E-03 ppm1 4.669 ppm2 6.548 CV 1
ASSI { 160}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 55 and name HD2 ))
3.700 1.900 1.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.61718E-03 ppm1 3.607 ppm2 6.549 CV 1
ASSI { 161}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HD2 ))
3.100 1.400 1.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.12005E-02 ppm1 2.954 ppm2 6.548 CV 1
ASSI { 162}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 55 and name HD2 ))
3.900 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.79387E-03 ppm1 2.144 ppm2 6.549 CV 1
OR { 162}
(( segid " " and resid 64 and name HG3 ))
(( segid " " and resid 55 and name HD2 ))
ASSI { 163}
(( segid " " and resid 67 and name HD3 ))
(( segid " " and resid 55 and name HD2 ))
4.200 2.400 1.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.61233E-03 ppm1 2.518 ppm2 6.549 CV 1
ASSI { 164}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HD2 ))
3.800 1.900 1.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.15732E-02 ppm1 2.781 ppm2 6.548 CV 1
ASSI { 165}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 55 and name HD2 ))
3.400 1.600 1.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.12101E-02 ppm1 1.433 ppm2 6.548 CV 1
ASSI { 166}
(( segid " " and resid 67 and name HG3 ))
(( segid " " and resid 55 and name HD2 ))
3.600 1.800 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.58813E-03 ppm1 0.666 ppm2 6.549 CV 1
ASSI { 167}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 55 and name HD2 ))
4.300 2.400 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.35821E-03 ppm1 3.264 ppm2 6.548 CV 1
ASSI { 168}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 55 and name HD2 ))
4.100 2.200 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 1.269 ppm2 6.549 CV 1
ASSI { 169}
(( segid " " and resid 55 and name HD2 ))
(( segid " " and resid 55 and name HE1 ))
4.800 3.000 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.37999E-03 ppm1 6.545 ppm2 7.530 CV 1
ASSI { 170}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HE1 ))
4.500 2.600 1.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.23259E-03 ppm1 4.669 ppm2 7.530 CV 1
ASSI { 171}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 55 and name HE1 ))
3.800 2.000 2.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.67525E-03 ppm1 4.543 ppm2 7.530 CV 1
ASSI { 172}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 55 and name HE1 ))
3.800 2.000 2.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.76723E-03 ppm1 2.618 ppm2 7.530 CV 1
ASSI { 173}
(( segid " " and resid 67 and name HD3 ))
(( segid " " and resid 55 and name HE1 ))
4.200 2.400 1.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.83982E-03 ppm1 2.513 ppm2 7.530 CV 1
ASSI { 174}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HN ))
3.800 3.800 2.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.22097E-03 ppm1 3.181 ppm2 7.530 CV 1
ASSI { 175}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HN ))
3.800 1.900 1.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.21952E-03 ppm1 3.081 ppm2 7.531 CV 1
ASSI { 176}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HN ))
4.800 3.100 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.18806E-03 ppm1 4.060 ppm2 7.530 CV 1
ASSI { 177}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 55 and name HE1 ))
4.500 2.600 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.25171E-03 ppm1 0.832 ppm2 7.530 CV 1
ASSI { 178}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 45 and name HN ))
4.700 2.900 1.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.38967E-03 ppm1 1.432 ppm2 7.530 CV 1
ASSI { 179}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 56 and name HD% )
4.200 2.400 1.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.43807E-03 ppm1 4.318 ppm2 7.044 CV 1
ASSI { 180}
(( segid " " and resid 61 and name HG ))
( segid " " and resid 56 and name HD% )
3.100 1.400 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.22097E-02 ppm1 1.540 ppm2 7.041 CV 1
ASSI { 181}
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 56 and name HD% )
2.700 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.46954E-02 ppm1 3.113 ppm2 7.042 CV 1
ASSI { 183}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 56 and name HE% )
4.200 2.400 1.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.47438E-03 ppm1 0.009 ppm2 6.813 CV 1
ASSI { 184}
( segid " " and resid 29 and name HB% )
( segid " " and resid 56 and name HE% )
3.900 2.100 2.100 peak 184 spectrum 1 weight 0.10000E+01 volume 0.43323E-03 ppm1 1.348 ppm2 6.813 CV 1
ASSI { 185}
(( segid " " and resid 61 and name HG ))
( segid " " and resid 56 and name HE% )
3.400 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.91969E-03 ppm1 1.540 ppm2 6.812 CV 1
ASSI { 186}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 56 and name HE% )
4.100 2.300 1.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.59055E-03 ppm1 1.731 ppm2 6.813 CV 1
ASSI { 187}
(( segid " " and resid 56 and name HB3 ))
( segid " " and resid 56 and name HE% )
4.500 2.700 1.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.71400E-03 ppm1 2.771 ppm2 6.813 CV 1
ASSI { 188}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 56 and name HE% )
3.600 1.700 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.57119E-03 ppm1 2.102 ppm2 6.813 CV 1
ASSI { 189}
(( segid " " and resid 30 and name HG2 ))
( segid " " and resid 56 and name HE% )
4.400 2.500 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.32674E-03 ppm1 2.176 ppm2 6.813 CV 1
ASSI { 190}
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 56 and name HE% )
4.400 2.600 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.71158E-03 ppm1 3.113 ppm2 6.813 CV 1
ASSI { 191}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 56 and name HE% )
4.000 2.200 2.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.37273E-03 ppm1 4.735 ppm2 6.813 CV 1
ASSI { 192}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 56 and name HE% )
4.400 2.600 1.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.41871E-03 ppm1 5.209 ppm2 6.813 CV 1
ASSI { 193}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 56 and name HE% )
4.400 2.600 1.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.80840E-03 ppm1 5.712 ppm2 6.813 CV 1
ASSI { 194}
( segid " " and resid 62 and name HE% )
( segid " " and resid 62 and name HD% )
2.200 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.80840E-02 ppm1 7.276 ppm2 7.110 CV 1
ASSI { 197}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 62 and name HD% )
3.800 2.000 2.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.68009E-03 ppm1 5.713 ppm2 7.109 CV 1
ASSI { 198}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 62 and name HD% )
3.700 1.900 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.98509E-03 ppm1 5.207 ppm2 7.109 CV 1
ASSI { 202}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 62 and name HD% )
3.800 2.000 2.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.60991E-03 ppm1 3.412 ppm2 7.109 CV 1
ASSI { 203}
(( segid " " and resid 55 and name HB3 ))
( segid " " and resid 62 and name HD% )
3.200 1.400 1.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.18902E-02 ppm1 2.778 ppm2 7.109 CV 1
ASSI { 204}
( segid " " and resid 57 and name HD1%)
( segid " " and resid 62 and name HD% )
3.000 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.15369E-02 ppm1 0.763 ppm2 7.109 CV 1
ASSI { 205}
( segid " " and resid 57 and name HG2%)
( segid " " and resid 62 and name HD% )
4.000 2.200 2.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.11085E-02 ppm1 0.832 ppm2 7.109 CV 1
ASSI { 206}
(( segid " " and resid 57 and name HB ))
( segid " " and resid 62 and name HD% )
3.200 1.500 1.500 peak 206 spectrum 1 weight 0.10000E+01 volume 0.17572E-02 ppm1 1.842 ppm2 7.109 CV 1
ASSI { 209}
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 62 and name HD% )
2.500 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.36062E-02 ppm1 3.264 ppm2 7.109 CV 1
ASSI { 210}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 85 and name HZ ))
4.300 2.500 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.44292E-03 ppm1 1.148 ppm2 7.377 CV 1
ASSI { 211}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 85 and name HZ ))
3.600 1.700 1.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.82771E-03 ppm1 1.308 ppm2 7.376 CV 1
ASSI { 212}
(( segid " " and resid 50 and name HG2 ))
(( segid " " and resid 85 and name HZ ))
3.600 1.700 1.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 2.067 ppm2 7.380 CV 1
ASSI { 213}
(( segid " " and resid 85 and name HB2 ))
( segid " " and resid 85 and name HD% )
3.000 1.300 1.300 peak 213 spectrum 1 weight 0.10000E+01 volume 0.22049E-02 ppm1 3.160 ppm2 7.410 CV 1
ASSI { 214}
(( segid " " and resid 85 and name HB3 ))
( segid " " and resid 85 and name HD% )
2.800 1.100 1.100 peak 214 spectrum 1 weight 0.10000E+01 volume 0.23695E-02 ppm1 2.839 ppm2 7.409 CV 1
ASSI { 215}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 85 and name HD% )
3.300 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.15079E-02 ppm1 4.514 ppm2 7.409 CV 1
ASSI { 216}
( segid " " and resid 85 and name HE% )
( segid " " and resid 85 and name HD% )
2.900 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.19628E-02 ppm1 7.305 ppm2 7.409 CV 1
ASSI { 217}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 85 and name HD% )
3.500 1.700 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.64864E-03 ppm1 1.146 ppm2 7.409 CV 1
ASSI { 218}
(( segid " " and resid 50 and name HB2 ))
( segid " " and resid 85 and name HD% )
3.800 1.900 1.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.87373E-03 ppm1 1.309 ppm2 7.409 CV 1
ASSI { 227}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 62 and name HA ))
4.100 2.300 1.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.63412E-03 ppm1 2.708 ppm2 5.989 CV 1
ASSI { 229}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HA ))
3.000 1.300 1.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.15030E-02 ppm1 2.473 ppm2 5.935 CV 1
ASSI { 230}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 34 and name HA ))
4.200 2.400 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.44292E-03 ppm1 1.873 ppm2 5.934 CV 1
ASSI { 232}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 34 and name HA ))
3.600 1.800 1.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.10432E-02 ppm1 0.704 ppm2 5.935 CV 1
ASSI { 234}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 34 and name HA ))
3.500 1.700 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.10480E-02 ppm1 0.204 ppm2 5.934 CV 1
Contact the webmaster for help, if required. Tuesday, May 28, 2024 9:16:05 PM GMT (wattos1)