NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17360 |
2ck5   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.300 0.600 0.600 peak 1 spectrum 1 weight 0.11000E+01 volume 0.10192E-01 ppm1 9.547 ppm2 4.371 CV 1
ASSI { 1}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.500 1.500 1.500 peak 1 spectrum 1 weight 0.11000E+01 volume 0.10891E-02 ppm1 9.547 ppm2 2.761 CV 1
ASSI { 2}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
4.000 2.000 2.000 peak 2 spectrum 1 weight 0.11000E+01 volume 0.82087E-03 ppm1 9.547 ppm2 3.073 CV 1
ASSI { 4}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 4 spectrum 1 weight 0.11000E+01 volume 0.28002E-02 ppm1 9.445 ppm2 4.905 CV 1
ASSI { 5}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB1 ))
3.000 1.100 1.100 peak 5 spectrum 1 weight 0.11000E+01 volume 0.31103E-02 ppm1 9.445 ppm2 3.285 CV 1
ASSI { 6}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.600 0.900 0.900 peak 6 spectrum 1 weight 0.11000E+01 volume 0.45171E-02 ppm1 9.445 ppm2 3.141 CV 1
ASSI { 7}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB1 ))
2.400 0.700 0.700 peak 7 spectrum 1 weight 0.11000E+01 volume 0.49175E-02 ppm1 9.276 ppm2 4.091 CV 1
ASSI { 8}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.500 0.800 0.800 peak 8 spectrum 1 weight 0.11000E+01 volume 0.28684E-02 ppm1 9.276 ppm2 4.027 CV 1
ASSI { 9}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
3.000 1.100 1.100 peak 9 spectrum 1 weight 0.11000E+01 volume 0.18566E-02 ppm1 9.135 ppm2 5.347 CV 1
ASSI { 10}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB1 ))
3.500 1.600 1.600 peak 10 spectrum 1 weight 0.11000E+01 volume 0.18636E-02 ppm1 9.136 ppm2 2.984 CV 1
ASSI { 11}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.500 0.800 0.800 peak 11 spectrum 1 weight 0.11000E+01 volume 0.56417E-02 ppm1 9.136 ppm2 2.732 CV 1
ASSI { 12}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.900 1.100 1.100 peak 12 spectrum 1 weight 0.11000E+01 volume 0.20651E-02 ppm1 9.047 ppm2 5.055 CV 1
ASSI { 14}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.400 1.500 1.500 peak 14 spectrum 1 weight 0.11000E+01 volume 0.16713E-02 ppm1 9.046 ppm2 2.577 CV 1
ASSI { 15}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
3.000 1.100 1.100 peak 15 spectrum 1 weight 0.11000E+01 volume 0.24831E-02 ppm1 8.839 ppm2 4.453 CV 1
ASSI { 16}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.400 0.700 0.700 peak 16 spectrum 1 weight 0.11000E+01 volume 0.74840E-02 ppm1 8.836 ppm2 2.917 CV 1
OR { 16}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB1 ))
ASSI { 17}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
2.600 0.900 0.900 peak 17 spectrum 1 weight 0.11000E+01 volume 0.37501E-02 ppm1 8.816 ppm2 4.207 CV 1
ASSI { 18}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG2 ))
2.300 0.700 0.700 peak 18 spectrum 1 weight 0.11000E+01 volume 0.71090E-02 ppm1 8.817 ppm2 1.934 CV 1
ASSI { 19}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
2.500 0.800 0.800 peak 19 spectrum 1 weight 0.11000E+01 volume 0.76672E-02 ppm1 8.818 ppm2 1.833 CV 1
ASSI { 20}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG1 ))
3.200 1.300 1.300 peak 20 spectrum 1 weight 0.11000E+01 volume 0.12641E-02 ppm1 8.818 ppm2 1.471 CV 1
ASSI { 22}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.700 0.900 0.900 peak 22 spectrum 1 weight 0.11000E+01 volume 0.17768E-02 ppm1 8.778 ppm2 4.845 CV 1
ASSI { 23}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB1 ))
2.300 0.700 0.700 peak 23 spectrum 1 weight 0.11000E+01 volume 0.53735E-02 ppm1 8.778 ppm2 2.740 CV 1
ASSI { 24}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.400 0.700 0.700 peak 24 spectrum 1 weight 0.11000E+01 volume 0.35822E-02 ppm1 8.778 ppm2 2.525 CV 1
ASSI { 25}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
2.800 1.000 1.000 peak 25 spectrum 1 weight 0.11000E+01 volume 0.16394E-02 ppm1 7.866 ppm2 4.907 CV 1
ASSI { 26}
(( segid " " and resid 3 and name HG11))
( segid " " and resid 3 and name HG2%)
2.400 0.700 0.700 peak 26 spectrum 1 weight 0.11000E+01 volume 0.94784E-02 ppm1 1.322 ppm2 1.154 CV 1
OR { 26}
(( segid " " and resid 3 and name HG12))
( segid " " and resid 3 and name HG2%)
ASSI { 27}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
3.100 1.200 1.200 peak 27 spectrum 1 weight 0.11000E+01 volume 0.16197E-02 ppm1 9.078 ppm2 4.705 CV 1
ASSI { 28}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HG1 ))
4.500 2.500 1.500 peak 28 spectrum 1 weight 0.11000E+01 volume 0.51642E-03 ppm1 9.079 ppm2 2.335 CV 1
ASSI { 29}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HG2 ))
4.300 2.300 1.700 peak 29 spectrum 1 weight 0.11000E+01 volume 0.61268E-03 ppm1 9.078 ppm2 2.286 CV 1
ASSI { 30}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.000 1.100 1.100 peak 30 spectrum 1 weight 0.11000E+01 volume 0.17006E-02 ppm1 9.077 ppm2 1.917 CV 1
ASSI { 31}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HG12))
2.400 0.700 0.700 peak 31 spectrum 1 weight 0.11000E+01 volume 0.62798E-02 ppm1 2.198 ppm2 1.304 CV 1
OR { 31}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HG11))
ASSI { 32}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
3.000 1.100 1.100 peak 32 spectrum 1 weight 0.11000E+01 volume 0.17483E-02 ppm1 8.674 ppm2 4.905 CV 1
ASSI { 33}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB ))
3.000 1.100 1.100 peak 33 spectrum 1 weight 0.11000E+01 volume 0.35664E-02 ppm1 8.679 ppm2 4.098 CV 1
ASSI { 34}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 29 and name HG2%)
3.100 1.200 1.200 peak 34 spectrum 1 weight 0.11000E+01 volume 0.17672E-02 ppm1 8.674 ppm2 1.284 CV 1
ASSI { 35}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.600 0.900 0.900 peak 35 spectrum 1 weight 0.11000E+01 volume 0.33880E-02 ppm1 8.410 ppm2 4.280 CV 1
ASSI { 36}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.200 0.600 0.600 peak 36 spectrum 1 weight 0.11000E+01 volume 0.10064E-01 ppm1 8.411 ppm2 1.931 CV 1
OR { 36}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 37}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HD1 ))
4.200 2.200 1.800 peak 37 spectrum 1 weight 0.11000E+01 volume 0.60421E-03 ppm1 8.412 ppm2 1.651 CV 1
OR { 37}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HD2 ))
ASSI { 38}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG1 ))
3.700 1.700 1.700 peak 38 spectrum 1 weight 0.11000E+01 volume 0.11600E-02 ppm1 8.406 ppm2 1.526 CV 1
ASSI { 39}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
4.200 2.200 1.800 peak 39 spectrum 1 weight 0.11000E+01 volume 0.57660E-03 ppm1 8.410 ppm2 1.446 CV 1
ASSI { 41}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 41 spectrum 1 weight 0.11000E+01 volume 0.25596E-02 ppm1 8.374 ppm2 4.636 CV 1
ASSI { 42}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB1 ))
2.600 0.900 0.900 peak 42 spectrum 1 weight 0.11000E+01 volume 0.47082E-02 ppm1 8.372 ppm2 1.717 CV 1
OR { 42}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 43}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HD2 ))
4.000 2.000 2.000 peak 43 spectrum 1 weight 0.11000E+01 volume 0.75698E-03 ppm1 8.374 ppm2 1.403 CV 1
OR { 43}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HD1 ))
ASSI { 44}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG1 ))
3.500 1.500 1.500 peak 44 spectrum 1 weight 0.11000E+01 volume 0.94678E-03 ppm1 8.374 ppm2 1.324 CV 1
OR { 44}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 45}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.900 1.000 1.000 peak 45 spectrum 1 weight 0.11000E+01 volume 0.36916E-02 ppm1 9.078 ppm2 1.656 CV 1
ASSI { 46}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA2 ))
2.700 0.900 0.900 peak 46 spectrum 1 weight 0.11000E+01 volume 0.29308E-02 ppm1 7.763 ppm2 3.726 CV 1
OR { 46}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA1 ))
ASSI { 47}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 47 spectrum 1 weight 0.11000E+01 volume 0.21057E-02 ppm1 8.254 ppm2 4.212 CV 1
ASSI { 48}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD2 ))
4.200 2.200 1.800 peak 48 spectrum 1 weight 0.11000E+01 volume 0.63152E-03 ppm1 8.255 ppm2 2.975 CV 1
OR { 48}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 49}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.11000E+01 volume 0.47210E-02 ppm1 8.255 ppm2 1.411 CV 1
ASSI { 50}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
2.700 0.900 0.900 peak 50 spectrum 1 weight 0.11000E+01 volume 0.26240E-02 ppm1 8.256 ppm2 1.340 CV 1
ASSI { 51}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
2.900 1.100 1.100 peak 51 spectrum 1 weight 0.11000E+01 volume 0.27445E-02 ppm1 8.256 ppm2 1.172 CV 1
OR { 51}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 52}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.900 1.100 1.100 peak 52 spectrum 1 weight 0.11000E+01 volume 0.19167E-02 ppm1 8.150 ppm2 4.832 CV 1
ASSI { 53}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB1 ))
3.600 1.600 1.600 peak 53 spectrum 1 weight 0.11000E+01 volume 0.12689E-02 ppm1 8.154 ppm2 3.076 CV 1
ASSI { 54}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB2 ))
2.100 0.600 0.600 peak 54 spectrum 1 weight 0.11000E+01 volume 0.68597E-02 ppm1 8.154 ppm2 2.685 CV 1
ASSI { 55}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB1 ))
3.300 1.300 1.300 peak 55 spectrum 1 weight 0.11000E+01 volume 0.13431E-02 ppm1 8.158 ppm2 1.814 CV 1
ASSI { 56}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB2 ))
2.800 1.000 1.000 peak 56 spectrum 1 weight 0.11000E+01 volume 0.29063E-02 ppm1 8.158 ppm2 1.744 CV 1
ASSI { 57}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
2.700 0.900 0.900 peak 57 spectrum 1 weight 0.11000E+01 volume 0.44572E-02 ppm1 8.158 ppm2 4.076 CV 1
ASSI { 58}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HD2 ))
4.400 2.400 1.600 peak 58 spectrum 1 weight 0.11000E+01 volume 0.48678E-03 ppm1 8.159 ppm2 1.662 CV 1
OR { 58}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HD1 ))
ASSI { 59}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HG2 ))
3.300 1.400 1.400 peak 59 spectrum 1 weight 0.11000E+01 volume 0.20752E-02 ppm1 8.162 ppm2 1.348 CV 1
OR { 59}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HG1 ))
ASSI { 60}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA1 ))
2.200 0.600 0.600 peak 60 spectrum 1 weight 0.11000E+01 volume 0.12234E-01 ppm1 8.265 ppm2 4.148 CV 1
OR { 60}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA2 ))
ASSI { 61}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 61 spectrum 1 weight 0.11000E+01 volume 0.21563E-02 ppm1 8.023 ppm2 4.679 CV 1
ASSI { 62}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG1 ))
3.400 1.400 1.400 peak 62 spectrum 1 weight 0.11000E+01 volume 0.10586E-02 ppm1 8.018 ppm2 2.424 CV 1
ASSI { 63}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG2 ))
3.100 1.200 1.200 peak 63 spectrum 1 weight 0.11000E+01 volume 0.12943E-02 ppm1 8.018 ppm2 2.344 CV 1
ASSI { 64}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.800 1.800 1.800 peak 64 spectrum 1 weight 0.11000E+01 volume 0.12254E-02 ppm1 8.017 ppm2 2.036 CV 1
ASSI { 65}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.400 0.700 0.700 peak 65 spectrum 1 weight 0.11000E+01 volume 0.56562E-02 ppm1 8.018 ppm2 1.739 CV 1
ASSI { 66}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA1 ))
2.700 0.900 0.900 peak 66 spectrum 1 weight 0.11000E+01 volume 0.43455E-02 ppm1 8.010 ppm2 4.165 CV 1
ASSI { 67}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA2 ))
2.200 0.600 0.600 peak 67 spectrum 1 weight 0.11000E+01 volume 0.11469E-01 ppm1 8.010 ppm2 3.840 CV 1
ASSI { 68}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.500 0.800 0.800 peak 68 spectrum 1 weight 0.11000E+01 volume 0.55200E-02 ppm1 7.933 ppm2 4.605 CV 1
ASSI { 69}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
4.000 2.000 2.000 peak 69 spectrum 1 weight 0.11000E+01 volume 0.10129E-02 ppm1 7.932 ppm2 3.136 CV 1
ASSI { 70}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.900 1.000 1.000 peak 70 spectrum 1 weight 0.11000E+01 volume 0.17875E-02 ppm1 7.932 ppm2 3.061 CV 1
ASSI { 71}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB ))
3.000 1.100 1.100 peak 71 spectrum 1 weight 0.11000E+01 volume 0.11267E-02 ppm1 7.866 ppm2 2.208 CV 1
ASSI { 72}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 3 and name HD1%)
3.400 3.400 2.600 peak 72 spectrum 1 weight 0.11000E+01 volume 0.17865E-02 ppm1 7.867 ppm2 0.959 CV 1
ASSI { 73}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.800 1.000 1.000 peak 73 spectrum 1 weight 0.11000E+01 volume 0.27619E-02 ppm1 7.806 ppm2 4.835 CV 1
ASSI { 74}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HD1 ))
3.300 1.400 1.400 peak 74 spectrum 1 weight 0.11000E+01 volume 0.36124E-02 ppm1 7.807 ppm2 1.733 CV 1
OR { 74}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HD2 ))
ASSI { 75}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
2.900 1.100 1.100 peak 75 spectrum 1 weight 0.11000E+01 volume 0.31561E-02 ppm1 7.807 ppm2 1.792 CV 1
OR { 75}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB1 ))
ASSI { 76}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG2 ))
3.300 1.400 1.400 peak 76 spectrum 1 weight 0.11000E+01 volume 0.94645E-03 ppm1 7.804 ppm2 1.435 CV 1
OR { 76}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG1 ))
ASSI { 77}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.600 0.900 0.900 peak 77 spectrum 1 weight 0.11000E+01 volume 0.50241E-02 ppm1 7.515 ppm2 4.619 CV 1
ASSI { 80}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 80 spectrum 1 weight 0.11000E+01 volume 0.19930E-02 ppm1 7.411 ppm2 4.212 CV 1
ASSI { 81}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.800 1.800 1.800 peak 81 spectrum 1 weight 0.11000E+01 volume 0.13060E-02 ppm1 7.411 ppm2 2.591 CV 1
ASSI { 82}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.200 0.600 0.600 peak 82 spectrum 1 weight 0.11000E+01 volume 0.67005E-02 ppm1 7.411 ppm2 2.489 CV 1
ASSI { 83}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG2 ))
2.400 0.700 0.700 peak 83 spectrum 1 weight 0.11000E+01 volume 0.66477E-02 ppm1 7.411 ppm2 2.232 CV 1
OR { 83}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG1 ))
ASSI { 84}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
3.300 1.400 1.400 peak 84 spectrum 1 weight 0.11000E+01 volume 0.12464E-02 ppm1 7.341 ppm2 4.515 CV 1
ASSI { 85}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HB% )
2.500 0.800 0.800 peak 85 spectrum 1 weight 0.11000E+01 volume 0.67463E-02 ppm1 7.339 ppm2 1.511 CV 1
ASSI { 86}
(( segid " " and resid 5 and name HE ))
(( segid " " and resid 5 and name HD2 ))
5.400 3.600 0.600 peak 86 spectrum 1 weight 0.11000E+01 volume 0.61934E-04 ppm1 7.245 ppm2 3.239 CV 1
OR { 86}
(( segid " " and resid 5 and name HE ))
(( segid " " and resid 5 and name HD1 ))
ASSI { 87}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
2.700 0.900 0.900 peak 87 spectrum 1 weight 0.11000E+01 volume 0.27173E-02 ppm1 7.223 ppm2 4.001 CV 1
ASSI { 89}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG ))
2.900 2.900 3.100 peak 89 spectrum 1 weight 0.11000E+01 volume 0.54019E-02 ppm1 7.223 ppm2 1.689 CV 1
ASSI { 90}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 8 and name HD1%)
5.400 3.700 0.600 peak 90 spectrum 1 weight 0.11000E+01 volume 0.17023E-03 ppm1 7.223 ppm2 1.014 CV 1
ASSI { 91}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 8 and name HD2%)
4.900 3.000 1.100 peak 91 spectrum 1 weight 0.11000E+01 volume 0.38118E-03 ppm1 7.223 ppm2 0.889 CV 1
ASSI { 92}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HD1 ))
3.400 3.400 2.600 peak 92 spectrum 1 weight 0.11000E+01 volume 0.86690E-03 ppm1 6.954 ppm2 2.934 CV 1
OR { 92}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 94}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HG12))
2.900 1.000 1.000 peak 94 spectrum 1 weight 0.11000E+01 volume 0.18779E-02 ppm1 7.868 ppm2 1.307 CV 1
OR { 94}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HG11))
ASSI { 95}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
2.800 1.000 1.000 peak 95 spectrum 1 weight 0.11000E+01 volume 0.19747E-02 ppm1 9.635 ppm2 4.519 CV 1
ASSI { 96}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HE1 ))
3.100 1.200 1.200 peak 96 spectrum 1 weight 0.11000E+01 volume 0.19109E-02 ppm1 9.635 ppm2 3.014 CV 1
OR { 96}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HE2 ))
ASSI { 97}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HG1 ))
2.700 0.900 0.900 peak 97 spectrum 1 weight 0.11000E+01 volume 0.26104E-02 ppm1 9.635 ppm2 1.915 CV 1
ASSI { 98}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HD2 ))
3.600 1.600 1.600 peak 98 spectrum 1 weight 0.11000E+01 volume 0.10884E-02 ppm1 9.635 ppm2 1.708 CV 1
OR { 98}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HD1 ))
ASSI { 99}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB1 ))
3.100 1.200 1.200 peak 99 spectrum 1 weight 0.11000E+01 volume 0.16952E-02 ppm1 9.634 ppm2 1.517 CV 1
ASSI { 100}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
2.600 0.900 0.900 peak 100 spectrum 1 weight 0.11000E+01 volume 0.39362E-02 ppm1 9.635 ppm2 1.844 CV 1
ASSI { 101}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HB ))
2.900 1.000 1.000 peak 101 spectrum 1 weight 0.11000E+01 volume 0.19773E-02 ppm1 1.172 ppm2 2.194 CV 1
ASSI { 102}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HB2 ))
4.600 2.600 1.400 peak 102 spectrum 1 weight 0.11000E+01 volume 0.16931E-03 ppm1 6.954 ppm2 1.341 CV 1
ASSI { 103}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HB1 ))
4.800 2.900 1.200 peak 103 spectrum 1 weight 0.11000E+01 volume 0.12088E-03 ppm1 6.954 ppm2 1.410 CV 1
ASSI { 104}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HG1 ))
3.300 1.400 1.400 peak 104 spectrum 1 weight 0.11000E+01 volume 0.13031E-02 ppm1 6.955 ppm2 1.167 CV 1
OR { 104}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 106}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HE1 ))
4.800 2.900 1.200 peak 106 spectrum 1 weight 0.11000E+01 volume 0.33610E-03 ppm1 8.418 ppm2 2.990 CV 1
OR { 106}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HE2 ))
ASSI { 107}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HG2 ))
2.900 1.100 1.100 peak 107 spectrum 1 weight 0.11000E+01 volume 0.14352E-02 ppm1 9.633 ppm2 1.455 CV 1
ASSI { 108}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.200 0.600 0.600 peak 108 spectrum 1 weight 0.11000E+01 volume 0.97159E-02 ppm1 8.673 ppm2 5.343 CV 1
ASSI { 109}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB1 ))
2.800 1.000 1.000 peak 109 spectrum 1 weight 0.11000E+01 volume 0.39034E-02 ppm1 8.671 ppm2 2.981 CV 1
ASSI { 110}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
4.300 2.300 1.700 peak 110 spectrum 1 weight 0.11000E+01 volume 0.65590E-03 ppm1 8.673 ppm2 2.732 CV 1
ASSI { 111}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.500 1.500 1.500 peak 111 spectrum 1 weight 0.11000E+01 volume 0.95770E-03 ppm1 8.010 ppm2 4.516 CV 1
ASSI { 112}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 14 and name HB% )
2.900 1.000 1.000 peak 112 spectrum 1 weight 0.11000E+01 volume 0.23221E-02 ppm1 8.015 ppm2 1.515 CV 1
ASSI { 113}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
3.800 1.800 1.800 peak 113 spectrum 1 weight 0.11000E+01 volume 0.54725E-03 ppm1 7.341 ppm2 4.451 CV 1
ASSI { 114}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB1 ))
3.200 1.300 1.300 peak 114 spectrum 1 weight 0.11000E+01 volume 0.19525E-02 ppm1 7.338 ppm2 2.917 CV 1
OR { 114}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 115}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
3.100 1.200 1.200 peak 115 spectrum 1 weight 0.11000E+01 volume 0.18667E-02 ppm1 8.840 ppm2 4.290 CV 1
ASSI { 116}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG1 ))
3.800 1.800 1.800 peak 116 spectrum 1 weight 0.11000E+01 volume 0.94609E-03 ppm1 8.839 ppm2 1.517 CV 1
ASSI { 117}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG2 ))
3.700 1.700 1.700 peak 117 spectrum 1 weight 0.11000E+01 volume 0.81451E-03 ppm1 8.837 ppm2 1.442 CV 1
ASSI { 118}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
3.600 1.600 1.600 peak 118 spectrum 1 weight 0.11000E+01 volume 0.10198E-02 ppm1 8.409 ppm2 4.624 CV 1
ASSI { 119}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB1 ))
3.200 1.300 1.300 peak 119 spectrum 1 weight 0.11000E+01 volume 0.26124E-02 ppm1 8.410 ppm2 2.848 CV 1
ASSI { 120}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.400 1.400 1.400 peak 120 spectrum 1 weight 0.11000E+01 volume 0.71132E-03 ppm1 8.410 ppm2 2.551 CV 1
ASSI { 122}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB1 ))
3.100 3.100 2.900 peak 122 spectrum 1 weight 0.11000E+01 volume 0.13810E-02 ppm1 4.303 ppm2 2.274 CV 1
ASSI { 123}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
4.300 4.300 1.700 peak 123 spectrum 1 weight 0.11000E+01 volume 0.50400E-03 ppm1 4.293 ppm2 1.772 CV 1
ASSI { 124}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HD1 ))
4.500 4.500 1.500 peak 124 spectrum 1 weight 0.11000E+01 volume 0.23285E-03 ppm1 4.303 ppm2 3.596 CV 1
OR { 124}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HD2 ))
ASSI { 125}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HD2 ))
3.400 3.400 2.600 peak 125 spectrum 1 weight 0.11000E+01 volume 0.88618E-03 ppm1 7.516 ppm2 3.597 CV 1
OR { 125}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
OR { 125}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HD1 ))
ASSI { 128}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HA ))
3.400 1.500 1.500 peak 128 spectrum 1 weight 0.11000E+01 volume 0.10737E-02 ppm1 7.337 ppm2 4.617 CV 1
ASSI { 129}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HA ))
4.700 2.700 1.300 peak 129 spectrum 1 weight 0.11000E+01 volume 0.21617E-03 ppm1 7.336 ppm2 4.286 CV 1
ASSI { 130}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
3.400 1.400 1.400 peak 130 spectrum 1 weight 0.11000E+01 volume 0.10680E-02 ppm1 8.815 ppm2 4.004 CV 1
ASSI { 143}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.500 1.500 1.500 peak 143 spectrum 1 weight 0.11000E+01 volume 0.73403E-03 ppm1 8.155 ppm2 4.216 CV 1
ASSI { 144}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HD1 ))
5.800 4.300 0.200 peak 144 spectrum 1 weight 0.11000E+01 volume 0.68570E-04 ppm1 8.650 ppm2 3.231 CV 1
OR { 144}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HD2 ))
ASSI { 145}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HG1 ))
4.300 2.400 1.700 peak 145 spectrum 1 weight 0.11000E+01 volume 0.30916E-03 ppm1 9.547 ppm2 2.335 CV 1
ASSI { 147}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.200 0.600 0.600 peak 147 spectrum 1 weight 0.11000E+01 volume 0.13501E-01 ppm1 9.138 ppm2 4.904 CV 1
ASSI { 148}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
4.200 2.200 1.800 peak 148 spectrum 1 weight 0.11000E+01 volume 0.92817E-03 ppm1 9.139 ppm2 3.284 CV 1
ASSI { 149}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
4.400 2.400 1.600 peak 149 spectrum 1 weight 0.11000E+01 volume 0.58006E-03 ppm1 9.134 ppm2 3.137 CV 1
ASSI { 150}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HB2 ))
1.300 0.200 0.900 peak 150 spectrum 1 weight 0.11000E+01 volume 0.85441E-01 ppm1 2.863 ppm2 2.566 CV 1
ASSI { 151}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.100 0.500 0.500 peak 151 spectrum 1 weight 0.11000E+01 volume 0.14884E-01 ppm1 9.448 ppm2 5.060 CV 1
ASSI { 152}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB1 ))
4.800 2.900 1.200 peak 152 spectrum 1 weight 0.11000E+01 volume 0.48400E-03 ppm1 9.446 ppm2 2.864 CV 1
ASSI { 153}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.900 1.100 1.100 peak 153 spectrum 1 weight 0.11000E+01 volume 0.19056E-02 ppm1 9.447 ppm2 2.572 CV 1
ASSI { 154}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA2 ))
3.100 1.200 1.200 peak 154 spectrum 1 weight 0.11000E+01 volume 0.22649E-02 ppm1 7.804 ppm2 4.149 CV 1
OR { 154}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA1 ))
ASSI { 156}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
3.200 1.300 1.300 peak 156 spectrum 1 weight 0.11000E+01 volume 0.17426E-02 ppm1 4.375 ppm2 2.761 CV 1
ASSI { 157}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 157 spectrum 1 weight 0.11000E+01 volume 0.36168E-02 ppm1 8.264 ppm2 4.370 CV 1
ASSI { 158}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.100 0.500 0.500 peak 158 spectrum 1 weight 0.11000E+01 volume 0.16515E-01 ppm1 9.048 ppm2 4.836 CV 1
ASSI { 159}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
2.000 0.500 0.500 peak 159 spectrum 1 weight 0.11000E+01 volume 0.99221E-02 ppm1 9.635 ppm2 4.249 CV 1
ASSI { 160}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB1 ))
3.300 1.400 1.400 peak 160 spectrum 1 weight 0.11000E+01 volume 0.43001E-02 ppm1 9.635 ppm2 3.221 CV 1
ASSI { 164}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
1.700 0.300 0.500 peak 164 spectrum 1 weight 0.11000E+01 volume 0.14677E-01 ppm1 7.866 ppm2 9.646 CV 1
ASSI { 165}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
3.600 1.600 1.600 peak 165 spectrum 1 weight 0.11000E+01 volume 0.88993E-03 ppm1 7.867 ppm2 4.518 CV 1
ASSI { 166}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 1 and name HA ))
4.800 2.800 1.200 peak 166 spectrum 1 weight 0.11000E+01 volume 0.65515E-03 ppm1 7.866 ppm2 4.246 CV 1
ASSI { 167}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB2 ))
3.100 1.200 1.200 peak 167 spectrum 1 weight 0.11000E+01 volume 0.16341E-02 ppm1 7.865 ppm2 1.839 CV 1
ASSI { 168}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HG1 ))
3.500 1.600 1.600 peak 168 spectrum 1 weight 0.11000E+01 volume 0.97043E-03 ppm1 7.866 ppm2 1.915 CV 1
ASSI { 169}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
2.100 0.500 0.500 peak 169 spectrum 1 weight 0.11000E+01 volume 0.70050E-02 ppm1 8.155 ppm2 7.229 CV 1
ASSI { 172}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.600 0.900 0.900 peak 172 spectrum 1 weight 0.11000E+01 volume 0.26524E-02 ppm1 7.223 ppm2 8.828 CV 1
ASSI { 173}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
2.400 0.700 0.700 peak 173 spectrum 1 weight 0.11000E+01 volume 0.52605E-02 ppm1 8.154 ppm2 7.419 CV 1
ASSI { 175}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 6 and name HA ))
4.900 3.000 1.100 peak 175 spectrum 1 weight 0.11000E+01 volume 0.23476E-03 ppm1 7.223 ppm2 4.212 CV 1
ASSI { 176}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
3.400 1.500 1.500 peak 176 spectrum 1 weight 0.11000E+01 volume 0.17544E-02 ppm1 9.276 ppm2 4.150 CV 1
ASSI { 177}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.200 0.600 0.600 peak 177 spectrum 1 weight 0.11000E+01 volume 0.10200E-01 ppm1 9.276 ppm2 4.909 CV 1
ASSI { 178}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB ))
2.800 1.000 1.000 peak 178 spectrum 1 weight 0.11000E+01 volume 0.54699E-02 ppm1 9.276 ppm2 2.197 CV 1
ASSI { 179}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 3 and name HD1%)
4.300 2.300 1.700 peak 179 spectrum 1 weight 0.11000E+01 volume 0.17260E-02 ppm1 9.275 ppm2 0.957 CV 1
ASSI { 180}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.300 0.700 0.700 peak 180 spectrum 1 weight 0.11000E+01 volume 0.74808E-02 ppm1 8.650 ppm2 4.116 CV 1
ASSI { 181}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB2 ))
3.700 1.700 1.700 peak 181 spectrum 1 weight 0.11000E+01 volume 0.62350E-03 ppm1 8.160 ppm2 2.346 CV 1
OR { 181}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB1 ))
ASSI { 182}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG1 ))
2.500 0.800 0.800 peak 182 spectrum 1 weight 0.11000E+01 volume 0.49942E-02 ppm1 8.650 ppm2 1.939 CV 1
OR { 182}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 183}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.600 0.900 0.900 peak 183 spectrum 1 weight 0.11000E+01 volume 0.50095E-02 ppm1 8.650 ppm2 1.747 CV 1
OR { 183}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 184}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
3.000 1.100 1.100 peak 184 spectrum 1 weight 0.11000E+01 volume 0.21583E-02 ppm1 9.276 ppm2 8.661 CV 1
ASSI { 186}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.300 1.300 1.300 peak 186 spectrum 1 weight 0.11000E+01 volume 0.78866E-03 ppm1 8.650 ppm2 4.027 CV 1
ASSI { 187}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 187 spectrum 1 weight 0.11000E+01 volume 0.21053E-02 ppm1 7.411 ppm2 8.660 CV 1
ASSI { 189}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
3.600 1.600 1.600 peak 189 spectrum 1 weight 0.11000E+01 volume 0.70632E-03 ppm1 7.410 ppm2 4.120 CV 1
ASSI { 190}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.100 1.200 1.200 peak 190 spectrum 1 weight 0.11000E+01 volume 0.92945E-03 ppm1 8.154 ppm2 2.484 CV 1
ASSI { 191}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG2 ))
4.600 2.600 1.400 peak 191 spectrum 1 weight 0.11000E+01 volume 0.32759E-03 ppm1 8.156 ppm2 2.235 CV 1
OR { 191}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG1 ))
ASSI { 192}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HA ))
4.200 2.200 1.800 peak 192 spectrum 1 weight 0.11000E+01 volume 0.29355E-03 ppm1 7.416 ppm2 4.026 CV 1
ASSI { 193}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 5 and name HA ))
3.800 1.800 1.800 peak 193 spectrum 1 weight 0.11000E+01 volume 0.37961E-03 ppm1 7.219 ppm2 4.119 CV 1
ASSI { 194}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HA ))
3.200 1.300 1.300 peak 194 spectrum 1 weight 0.11000E+01 volume 0.15417E-02 ppm1 8.410 ppm2 4.204 CV 1
ASSI { 196}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG2 ))
4.100 4.100 1.900 peak 196 spectrum 1 weight 0.11000E+01 volume 0.45865E-03 ppm1 4.304 ppm2 2.107 CV 1
OR { 196}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG1 ))
ASSI { 197}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HD2 ))
2.200 0.600 0.600 peak 197 spectrum 1 weight 0.11000E+01 volume 0.78840E-02 ppm1 8.815 ppm2 3.599 CV 1
OR { 197}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HD1 ))
ASSI { 198}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
2.700 0.900 0.900 peak 198 spectrum 1 weight 0.11000E+01 volume 0.35681E-02 ppm1 8.411 ppm2 7.523 CV 1
ASSI { 200}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HA ))
3.400 1.400 1.400 peak 200 spectrum 1 weight 0.11000E+01 volume 0.28475E-02 ppm1 8.011 ppm2 4.274 CV 1
ASSI { 201}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.700 0.900 0.900 peak 201 spectrum 1 weight 0.11000E+01 volume 0.32220E-02 ppm1 8.838 ppm2 8.417 CV 1
ASSI { 203}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 203 spectrum 1 weight 0.11000E+01 volume 0.27045E-02 ppm1 7.339 ppm2 8.852 CV 1
ASSI { 205}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 205 spectrum 1 weight 0.11000E+01 volume 0.51561E-02 ppm1 8.010 ppm2 7.343 CV 1
ASSI { 209}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
4.100 2.100 1.900 peak 209 spectrum 1 weight 0.11000E+01 volume 0.38736E-03 ppm1 7.224 ppm2 4.833 CV 1
ASSI { 216}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.900 1.000 1.000 peak 216 spectrum 1 weight 0.11000E+01 volume 0.21465E-02 ppm1 8.251 ppm2 7.937 CV 1
ASSI { 218}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.900 1.000 1.000 peak 218 spectrum 1 weight 0.11000E+01 volume 0.35768E-02 ppm1 7.933 ppm2 4.211 CV 1
ASSI { 219}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.000 1.100 1.100 peak 219 spectrum 1 weight 0.11000E+01 volume 0.21733E-02 ppm1 7.932 ppm2 1.407 CV 1
ASSI { 220}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
2.800 1.000 1.000 peak 220 spectrum 1 weight 0.11000E+01 volume 0.26400E-02 ppm1 7.933 ppm2 1.337 CV 1
ASSI { 224}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
4.000 2.000 2.000 peak 224 spectrum 1 weight 0.11000E+01 volume 0.99760E-03 ppm1 7.760 ppm2 7.937 CV 1
ASSI { 225}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.500 0.800 0.800 peak 225 spectrum 1 weight 0.11000E+01 volume 0.65861E-02 ppm1 7.762 ppm2 4.605 CV 1
ASSI { 226}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
2.400 0.700 0.700 peak 226 spectrum 1 weight 0.11000E+01 volume 0.44999E-02 ppm1 7.762 ppm2 3.143 CV 1
ASSI { 227}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.500 1.500 1.500 peak 227 spectrum 1 weight 0.11000E+01 volume 0.39639E-02 ppm1 7.762 ppm2 3.061 CV 1
ASSI { 228}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA2 ))
2.700 0.900 0.900 peak 228 spectrum 1 weight 0.11000E+01 volume 0.30151E-02 ppm1 8.380 ppm2 3.720 CV 1
OR { 228}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA1 ))
ASSI { 230}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 230 spectrum 1 weight 0.11000E+01 volume 0.28709E-02 ppm1 9.448 ppm2 8.385 CV 1
ASSI { 231}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 28 and name HA ))
5.300 3.500 0.700 peak 231 spectrum 1 weight 0.11000E+01 volume 0.30810E-03 ppm1 8.374 ppm2 5.343 CV 1
ASSI { 232}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.000 0.500 0.500 peak 232 spectrum 1 weight 0.11000E+01 volume 0.12123E-01 ppm1 8.778 ppm2 4.641 CV 1
ASSI { 233}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HB2 ))
1.500 0.300 0.700 peak 233 spectrum 1 weight 0.11000E+01 volume 0.38669E-01 ppm1 2.745 ppm2 2.522 CV 1
ASSI { 234}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.000 0.500 0.500 peak 234 spectrum 1 weight 0.11000E+01 volume 0.16599E-01 ppm1 9.083 ppm2 4.843 CV 1
ASSI { 235}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 235 spectrum 1 weight 0.11000E+01 volume 0.24868E-02 ppm1 7.805 ppm2 9.089 CV 1
ASSI { 237}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 26 and name HA ))
4.200 2.200 1.800 peak 237 spectrum 1 weight 0.11000E+01 volume 0.63656E-03 ppm1 9.081 ppm2 5.057 CV 1
ASSI { 238}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 21 and name HA ))
4.600 2.700 1.400 peak 238 spectrum 1 weight 0.11000E+01 volume 0.54956E-03 ppm1 9.445 ppm2 4.845 CV 1
ASSI { 239}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
2.200 0.600 0.600 peak 239 spectrum 1 weight 0.11000E+01 volume 0.12254E-01 ppm1 9.546 ppm2 4.705 CV 1
ASSI { 240}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB1 ))
4.200 2.200 1.800 peak 240 spectrum 1 weight 0.11000E+01 volume 0.38752E-03 ppm1 9.079 ppm2 2.735 CV 1
ASSI { 241}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
4.500 2.500 1.500 peak 241 spectrum 1 weight 0.11000E+01 volume 0.43024E-03 ppm1 9.078 ppm2 2.526 CV 1
ASSI { 243}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.900 1.000 1.000 peak 243 spectrum 1 weight 0.11000E+01 volume 0.27026E-02 ppm1 9.546 ppm2 8.273 CV 1
ASSI { 244}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 244 spectrum 1 weight 0.11000E+01 volume 0.22419E-02 ppm1 7.807 ppm2 8.277 CV 1
ASSI { 247}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 29 and name HN ))
3.400 1.500 1.500 peak 247 spectrum 1 weight 0.11000E+01 volume 0.81014E-03 ppm1 7.933 ppm2 8.680 CV 1
ASSI { 248}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HA ))
2.500 0.800 0.800 peak 248 spectrum 1 weight 0.11000E+01 volume 0.50887E-02 ppm1 3.152 ppm2 4.602 CV 1
ASSI { 249}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.300 0.700 0.700 peak 249 spectrum 1 weight 0.11000E+01 volume 0.59414E-02 ppm1 8.255 ppm2 4.676 CV 1
ASSI { 250}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.400 1.500 1.500 peak 250 spectrum 1 weight 0.11000E+01 volume 0.21946E-02 ppm1 8.256 ppm2 1.742 CV 1
ASSI { 251}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.800 1.000 1.000 peak 251 spectrum 1 weight 0.11000E+01 volume 0.13763E-02 ppm1 7.865 ppm2 2.497 CV 1
ASSI { 260}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 18 and name HA ))
2.800 1.000 1.000 peak 260 spectrum 1 weight 0.11000E+01 volume 0.28599E-02 ppm1 7.125 ppm2 4.604 CV 1
ASSI { 262}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 18 and name HN ))
3.600 1.600 1.600 peak 262 spectrum 1 weight 0.11000E+01 volume 0.78993E-03 ppm1 7.129 ppm2 7.941 CV 1
ASSI { 264}
(( segid " " and resid 30 and name HD1 ))
( segid " " and resid 29 and name HG2%)
2.300 2.300 3.700 peak 264 spectrum 1 weight 0.11000E+01 volume 0.13177E-02 ppm1 3.878 ppm2 1.281 CV 1
OR { 264}
(( segid " " and resid 30 and name HD2 ))
( segid " " and resid 29 and name HG2%)
ASSI { 266}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG1 ))
1.800 0.400 0.400 peak 266 spectrum 1 weight 0.11000E+01 volume 0.43020E-01 ppm1 2.356 ppm2 2.053 CV 1
OR { 266}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HG2 ))
OR { 266}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG2 ))
OR { 266}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HG1 ))
ASSI { 267}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HE2 ))
4.100 2.100 1.900 peak 267 spectrum 1 weight 0.11000E+01 volume 0.55140E-03 ppm1 4.062 ppm2 2.941 CV 1
OR { 267}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HE1 ))
ASSI { 268}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HA ))
2.700 0.900 0.900 peak 268 spectrum 1 weight 0.11000E+01 volume 0.29117E-02 ppm1 2.865 ppm2 5.056 CV 1
ASSI { 270}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HB ))
3.000 1.100 1.100 peak 270 spectrum 1 weight 0.11000E+01 volume 0.20454E-02 ppm1 8.650 ppm2 2.196 CV 1
ASSI { 272}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HA ))
2.400 0.700 0.700 peak 272 spectrum 1 weight 0.11000E+01 volume 0.66566E-02 ppm1 3.225 ppm2 4.250 CV 1
ASSI { 275}
(( segid " " and resid 2 and name HE1 ))
(( segid " " and resid 2 and name HD2 ))
2.300 0.700 0.700 peak 275 spectrum 1 weight 0.11000E+01 volume 0.96912E-02 ppm1 2.996 ppm2 1.719 CV 1
OR { 275}
(( segid " " and resid 2 and name HE2 ))
(( segid " " and resid 2 and name HD1 ))
OR { 275}
(( segid " " and resid 2 and name HE1 ))
(( segid " " and resid 2 and name HD1 ))
OR { 275}
(( segid " " and resid 2 and name HE2 ))
(( segid " " and resid 2 and name HD2 ))
ASSI { 277}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HG1 ))
2.400 0.700 0.700 peak 277 spectrum 1 weight 0.11000E+01 volume 0.60062E-02 ppm1 3.601 ppm2 2.104 CV 1
OR { 277}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 10 and name HG2 ))
OR { 277}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 10 and name HG1 ))
OR { 277}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HG2 ))
ASSI { 278}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HB2 ))
3.200 1.300 1.300 peak 278 spectrum 1 weight 0.11000E+01 volume 0.15752E-02 ppm1 3.601 ppm2 1.772 CV 1
OR { 278}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 282}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.100 1.100 peak 282 spectrum 1 weight 0.11000E+01 volume 0.10778E-02 ppm1 9.634 ppm2 2.489 CV 1
ASSI { 283}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 6 and name HG1 ))
3.200 1.300 1.300 peak 283 spectrum 1 weight 0.11000E+01 volume 0.13499E-02 ppm1 9.635 ppm2 2.223 CV 1
OR { 283}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 287}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HB1 ))
2.600 0.800 0.800 peak 287 spectrum 1 weight 0.11000E+01 volume 0.58773E-02 ppm1 3.243 ppm2 1.747 CV 1
OR { 287}
(( segid " " and resid 5 and name HD1 ))
(( segid " " and resid 5 and name HB1 ))
OR { 287}
(( segid " " and resid 5 and name HD1 ))
(( segid " " and resid 5 and name HB2 ))
OR { 287}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 294}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.900 1.000 1.000 peak 294 spectrum 1 weight 0.11000E+01 volume 0.29981E-02 ppm1 2.495 ppm2 4.208 CV 1
ASSI { 296}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HA ))
2.900 1.000 1.000 peak 296 spectrum 1 weight 0.11000E+01 volume 0.20142E-02 ppm1 2.857 ppm2 4.619 CV 1
ASSI { 297}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
2.800 1.000 1.000 peak 297 spectrum 1 weight 0.11000E+01 volume 0.46752E-02 ppm1 2.550 ppm2 4.618 CV 1
ASSI { 299}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.200 0.600 0.600 peak 299 spectrum 1 weight 0.11000E+01 volume 0.80730E-02 ppm1 8.255 ppm2 2.039 CV 1
ASSI { 300}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.500 1.500 peak 300 spectrum 1 weight 0.11000E+01 volume 0.78672E-03 ppm1 7.934 ppm2 2.046 CV 1
ASSI { 301}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
4.200 2.200 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.49275E-03 ppm1 7.932 ppm2 1.187 CV 1
OR { 301}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 302}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HA ))
4.500 2.600 1.500 peak 302 spectrum 1 weight 0.11000E+01 volume 0.25045E-03 ppm1 8.004 ppm2 4.447 CV 1
ASSI { 303}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 10 and name HD2 ))
3.500 1.500 1.500 peak 303 spectrum 1 weight 0.11000E+01 volume 0.74218E-03 ppm1 7.222 ppm2 3.595 CV 1
OR { 303}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 10 and name HD1 ))
ASSI { 304}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB2 ))
4.300 2.400 1.700 peak 304 spectrum 1 weight 0.11000E+01 volume 0.39615E-03 ppm1 7.220 ppm2 2.680 CV 1
ASSI { 305}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 3 and name HG12))
3.300 1.300 1.300 peak 305 spectrum 1 weight 0.11000E+01 volume 0.33478E-02 ppm1 7.411 ppm2 1.307 CV 1
OR { 305}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 3 and name HG11))
ASSI { 306}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 3 and name HG2%)
4.300 2.300 1.700 peak 306 spectrum 1 weight 0.11000E+01 volume 0.53698E-03 ppm1 7.413 ppm2 1.152 CV 1
ASSI { 307}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 3 and name HD1%)
4.400 2.500 1.600 peak 307 spectrum 1 weight 0.11000E+01 volume 0.54417E-03 ppm1 7.411 ppm2 0.953 CV 1
ASSI { 308}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HG2 ))
4.100 2.100 1.900 peak 308 spectrum 1 weight 0.11000E+01 volume 0.46112E-03 ppm1 9.548 ppm2 2.278 CV 1
ASSI { 309}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HA ))
3.900 1.900 1.900 peak 309 spectrum 1 weight 0.11000E+01 volume 0.11110E-02 ppm1 8.254 ppm2 4.594 CV 1
ASSI { 310}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.400 0.700 0.700 peak 310 spectrum 1 weight 0.11000E+01 volume 0.56560E-02 ppm1 8.159 ppm2 4.599 CV 1
ASSI { 311}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HD2 ))
2.600 2.600 3.400 peak 311 spectrum 1 weight 0.11000E+01 volume 0.73735E-03 ppm1 8.159 ppm2 3.872 CV 1
OR { 311}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HD1 ))
ASSI { 312}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 21 and name HB1 ))
3.300 1.300 1.300 peak 312 spectrum 1 weight 0.11000E+01 volume 0.11723E-02 ppm1 9.277 ppm2 2.738 CV 1
ASSI { 313}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 21 and name HB2 ))
4.200 2.200 1.800 peak 313 spectrum 1 weight 0.11000E+01 volume 0.73018E-03 ppm1 9.277 ppm2 2.525 CV 1
ASSI { 314}
(( segid " " and resid 6 and name HE21))
(( segid " " and resid 6 and name HB1 ))
2.400 0.700 0.700 peak 314 spectrum 1 weight 0.11000E+01 volume 0.39836E-02 ppm1 7.757 ppm2 2.597 CV 1
ASSI { 315}
(( segid " " and resid 6 and name HE21))
(( segid " " and resid 6 and name HB2 ))
5.000 3.100 1.000 peak 315 spectrum 1 weight 0.11000E+01 volume 0.20420E-03 ppm1 7.757 ppm2 2.498 CV 1
ASSI { 316}
(( segid " " and resid 6 and name HE21))
(( segid " " and resid 6 and name HG1 ))
3.000 1.200 1.200 peak 316 spectrum 1 weight 0.11000E+01 volume 0.15099E-02 ppm1 7.759 ppm2 2.235 CV 1
OR { 316}
(( segid " " and resid 6 and name HE21))
(( segid " " and resid 6 and name HG2 ))
ASSI { 317}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HG1 ))
3.300 1.300 1.300 peak 317 spectrum 1 weight 0.11000E+01 volume 0.24964E-02 ppm1 8.160 ppm2 2.058 CV 1
ASSI { 318}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HD2 ))
3.000 1.100 1.100 peak 318 spectrum 1 weight 0.11000E+01 volume 0.35905E-02 ppm1 8.818 ppm2 1.666 CV 1
OR { 318}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 320}
(( segid " " and resid 3 and name HG11))
( segid " " and resid 3 and name HD1%)
2.200 0.600 0.600 peak 320 spectrum 1 weight 0.11000E+01 volume 0.12173E-01 ppm1 1.325 ppm2 0.945 CV 1
OR { 320}
(( segid " " and resid 3 and name HG12))
( segid " " and resid 3 and name HD1%)
ASSI { 322}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HD1 ))
3.800 1.800 1.800 peak 322 spectrum 1 weight 0.11000E+01 volume 0.46929E-03 ppm1 9.445 ppm2 7.302 CV 1
ASSI { 323}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 17 and name HB1 ))
3.500 1.500 1.500 peak 323 spectrum 1 weight 0.11000E+01 volume 0.64230E-03 ppm1 7.125 ppm2 1.414 CV 1
ASSI { 324}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB1 ))
3.300 1.400 1.400 peak 324 spectrum 1 weight 0.11000E+01 volume 0.12595E-02 ppm1 7.410 ppm2 1.742 CV 1
OR { 324}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 326}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 27 and name HD1 ))
4.000 2.000 2.000 peak 326 spectrum 1 weight 0.11000E+01 volume 0.69882E-03 ppm1 9.079 ppm2 7.302 CV 1
ASSI { 327}
(( segid " " and resid 2 and name HG1 ))
(( segid " " and resid 2 and name HA ))
3.600 1.600 1.600 peak 327 spectrum 1 weight 0.11000E+01 volume 0.11098E-02 ppm1 1.915 ppm2 4.519 CV 1
ASSI { 328}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 2 and name HA ))
2.300 0.600 0.600 peak 328 spectrum 1 weight 0.11000E+01 volume 0.92052E-02 ppm1 1.524 ppm2 4.517 CV 1
ASSI { 329}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HA ))
3.200 1.300 1.300 peak 329 spectrum 1 weight 0.11000E+01 volume 0.18497E-02 ppm1 1.848 ppm2 4.519 CV 1
ASSI { 331}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 3 and name HA ))
4.800 2.900 1.200 peak 331 spectrum 1 weight 0.11000E+01 volume 0.33078E-03 ppm1 0.945 ppm2 4.907 CV 1
ASSI { 332}
(( segid " " and resid 5 and name HD1 ))
(( segid " " and resid 5 and name HA ))
4.900 3.000 1.100 peak 332 spectrum 1 weight 0.11000E+01 volume 0.29998E-03 ppm1 3.231 ppm2 4.116 CV 1
OR { 332}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HA ))
ASSI { 336}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HA ))
2.600 0.800 0.800 peak 336 spectrum 1 weight 0.11000E+01 volume 0.39888E-02 ppm1 3.073 ppm2 4.834 CV 1
ASSI { 345}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HB2 ))
1.700 0.400 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.24989E-01 ppm1 2.302 ppm2 1.770 CV 1
ASSI { 346}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB1 ))
1.900 0.400 0.400 peak 346 spectrum 1 weight 0.11000E+01 volume 0.27579E-01 ppm1 2.113 ppm2 2.271 CV 1
OR { 346}
(( segid " " and resid 10 and name HG1 ))
(( segid " " and resid 10 and name HB1 ))
ASSI { 347}
(( segid " " and resid 10 and name HG1 ))
(( segid " " and resid 10 and name HB2 ))
2.300 0.700 0.700 peak 347 spectrum 1 weight 0.11000E+01 volume 0.90653E-02 ppm1 2.115 ppm2 1.772 CV 1
OR { 347}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 352}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 16 and name HA ))
3.400 1.400 1.400 peak 352 spectrum 1 weight 0.11000E+01 volume 0.16945E-02 ppm1 2.433 ppm2 4.680 CV 1
ASSI { 353}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 353 spectrum 1 weight 0.11000E+01 volume 0.30854E-02 ppm1 2.353 ppm2 4.680 CV 1
ASSI { 354}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.500 0.800 0.800 peak 354 spectrum 1 weight 0.11000E+01 volume 0.38081E-02 ppm1 2.051 ppm2 4.678 CV 1
ASSI { 358}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HA ))
3.000 1.100 1.100 peak 358 spectrum 1 weight 0.11000E+01 volume 0.17669E-02 ppm1 1.725 ppm2 4.639 CV 1
OR { 358}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HA ))
ASSI { 359}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HA ))
2.700 0.900 0.900 peak 359 spectrum 1 weight 0.11000E+01 volume 0.40100E-02 ppm1 2.746 ppm2 4.842 CV 1
ASSI { 360}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 360 spectrum 1 weight 0.11000E+01 volume 0.45646E-02 ppm1 2.522 ppm2 4.843 CV 1
ASSI { 361}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HA ))
4.600 2.700 1.400 peak 361 spectrum 1 weight 0.11000E+01 volume 0.20769E-03 ppm1 2.283 ppm2 4.699 CV 1
ASSI { 363}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
4.000 2.000 2.000 peak 363 spectrum 1 weight 0.11000E+01 volume 0.27057E-03 ppm1 1.664 ppm2 4.695 CV 1
ASSI { 370}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 1 and name HB1 ))
3.100 1.200 1.200 peak 370 spectrum 1 weight 0.11000E+01 volume 0.26251E-02 ppm1 2.526 ppm2 3.222 CV 1
ASSI { 372}
( segid " " and resid 18 and name HD% )
( segid " " and resid 29 and name HG2%)
3.700 1.700 1.700 peak 372 spectrum 1 weight 0.11000E+01 volume 0.12007E-02 ppm1 7.122 ppm2 1.279 CV 1
ASSI { 373}
(( segid " " and resid 27 and name HD1 ))
( segid " " and resid 29 and name HG2%)
2.400 2.400 3.600 peak 373 spectrum 1 weight 0.11000E+01 volume 0.10020E-02 ppm1 7.292 ppm2 1.282 CV 1
ASSI { 374}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 8 and name HD2%)
2.600 2.600 3.400 peak 374 spectrum 1 weight 0.11000E+01 volume 0.64114E-03 ppm1 7.763 ppm2 0.889 CV 1
ASSI { 375}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 8 and name HD1%)
4.100 4.100 1.900 peak 375 spectrum 1 weight 0.11000E+01 volume 0.28611E-03 ppm1 7.764 ppm2 1.012 CV 1
ASSI { 376}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 1 and name HB1 ))
4.500 2.500 1.500 peak 376 spectrum 1 weight 0.11000E+01 volume 0.19958E-02 ppm1 7.867 ppm2 3.223 CV 1
ASSI { 377}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.000 1.100 1.100 peak 377 spectrum 1 weight 0.11000E+01 volume 0.16193E-02 ppm1 8.674 ppm2 2.041 CV 1
ASSI { 378}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 3 and name HD1%)
4.200 2.200 1.800 peak 378 spectrum 1 weight 0.11000E+01 volume 0.17753E-02 ppm1 8.651 ppm2 0.957 CV 1
ASSI { 379}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 3 and name HG2%)
3.300 1.400 1.400 peak 379 spectrum 1 weight 0.11000E+01 volume 0.81171E-03 ppm1 8.651 ppm2 1.152 CV 1
ASSI { 380}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HG12))
3.600 1.600 1.600 peak 380 spectrum 1 weight 0.11000E+01 volume 0.30133E-02 ppm1 8.651 ppm2 1.307 CV 1
OR { 380}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HG11))
ASSI { 381}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 3 and name HG2%)
3.400 1.400 1.400 peak 381 spectrum 1 weight 0.11000E+01 volume 0.78205E-03 ppm1 9.276 ppm2 1.151 CV 1
ASSI { 382}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HG11))
3.900 1.900 1.900 peak 382 spectrum 1 weight 0.11000E+01 volume 0.16037E-02 ppm1 9.276 ppm2 1.307 CV 1
OR { 382}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HG12))
ASSI { 383}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 3 and name HG12))
3.700 1.700 1.700 peak 383 spectrum 1 weight 0.11000E+01 volume 0.13080E-02 ppm1 9.634 ppm2 1.305 CV 1
OR { 383}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 3 and name HG11))
ASSI { 384}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 3 and name HG2%)
4.500 4.500 1.500 peak 384 spectrum 1 weight 0.11000E+01 volume 0.89901E-03 ppm1 9.634 ppm2 1.152 CV 1
ASSI { 385}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 3 and name HD1%)
4.000 2.000 2.000 peak 385 spectrum 1 weight 0.11000E+01 volume 0.13291E-02 ppm1 9.632 ppm2 0.958 CV 1
ASSI { 386}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.700 1.700 1.700 peak 386 spectrum 1 weight 0.11000E+01 volume 0.14781E-02 ppm1 9.547 ppm2 1.914 CV 1
ASSI { 387}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
4.200 2.200 1.800 peak 387 spectrum 1 weight 0.11000E+01 volume 0.12074E-02 ppm1 9.549 ppm2 1.663 CV 1
ASSI { 388}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HE1 ))
2.500 2.500 3.500 peak 388 spectrum 1 weight 0.11000E+01 volume 0.77704E-03 ppm1 9.047 ppm2 3.018 CV 1
OR { 388}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HE2 ))
ASSI { 389}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB1 ))
3.000 1.100 1.100 peak 389 spectrum 1 weight 0.11000E+01 volume 0.34222E-02 ppm1 9.048 ppm2 1.805 CV 1
OR { 389}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 390}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HG1 ))
3.500 1.500 1.500 peak 390 spectrum 1 weight 0.11000E+01 volume 0.96328E-03 ppm1 9.049 ppm2 1.415 CV 1
ASSI { 391}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.000 1.100 1.100 peak 391 spectrum 1 weight 0.11000E+01 volume 0.33074E-02 ppm1 8.778 ppm2 1.728 CV 1
OR { 391}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
ASSI { 392}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 8 and name HN ))
4.500 2.500 1.500 peak 392 spectrum 1 weight 0.11000E+01 volume 0.46075E-03 ppm1 7.416 ppm2 7.240 CV 1
ASSI { 393}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG2 ))
3.800 1.900 1.900 peak 393 spectrum 1 weight 0.11000E+01 volume 0.91517E-03 ppm1 8.779 ppm2 1.330 CV 1
OR { 393}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG1 ))
ASSI { 395}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 4 and name HN ))
4.800 2.900 1.200 peak 395 spectrum 1 weight 0.11000E+01 volume 0.39125E-03 ppm1 8.780 ppm2 9.283 CV 1
ASSI { 397}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 27 and name HN ))
6.000 5.100 0.000 peak 397 spectrum 1 weight 0.11000E+01 volume 0.11336E-03 ppm1 9.078 ppm2 9.450 CV 1
ASSI { 398}
(( segid " " and resid 17 and name HH12))
(( segid " " and resid 17 and name HH11))
5.300 3.500 0.700 peak 398 spectrum 1 weight 0.11000E+01 volume 0.28506E-04 ppm1 7.298 ppm2 8.685 CV 1
ASSI { 400}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 6 and name HB1 ))
4.300 2.300 1.700 peak 400 spectrum 1 weight 0.11000E+01 volume 0.71996E-03 ppm1 7.074 ppm2 2.595 CV 1
ASSI { 401}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 8 and name HA ))
4.100 2.100 1.900 peak 401 spectrum 1 weight 0.11000E+01 volume 0.31418E-03 ppm1 8.410 ppm2 4.001 CV 1
ASSI { 403}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 4 and name HA ))
1.700 0.400 0.500 peak 403 spectrum 1 weight 0.11000E+01 volume 0.47351E-02 ppm1 8.779 ppm2 4.023 CV 1
ASSI { 404}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 27 and name HB1 ))
4.700 2.800 1.300 peak 404 spectrum 1 weight 0.11000E+01 volume 0.32062E-03 ppm1 8.372 ppm2 3.282 CV 1
ASSI { 405}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB1 ))
3.600 3.600 2.400 peak 405 spectrum 1 weight 0.11000E+01 volume 0.86118E-03 ppm1 4.302 ppm2 2.921 CV 1
OR { 405}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 406}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 10 and name HA ))
2.600 2.600 3.400 peak 406 spectrum 1 weight 0.11000E+01 volume 0.29059E-02 ppm1 2.923 ppm2 4.302 CV 1
ASSI { 414}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 18 and name HB2 ))
3.500 1.500 1.500 peak 414 spectrum 1 weight 0.11000E+01 volume 0.22334E-02 ppm1 3.728 ppm2 3.069 CV 1
OR { 414}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 415}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 19 and name HA1 ))
2.600 0.900 0.900 peak 415 spectrum 1 weight 0.11000E+01 volume 0.37689E-02 ppm1 3.073 ppm2 3.726 CV 1
OR { 415}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 19 and name HA2 ))
ASSI { 420}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 5 and name HG1 ))
3.800 1.800 1.800 peak 420 spectrum 1 weight 0.11000E+01 volume 0.10464E-02 ppm1 0.952 ppm2 1.938 CV 1
OR { 420}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 5 and name HG2 ))
ASSI { 422}
( segid " " and resid 18 and name HD% )
( segid " " and resid 18 and name HE% )
1.900 0.500 0.500 peak 422 spectrum 1 weight 0.11000E+01 volume 0.21977E-01 ppm1 7.124 ppm2 7.300 CV 1
ASSI { 424}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 6 and name HG1 ))
4.600 2.600 1.400 peak 424 spectrum 1 weight 0.11000E+01 volume 0.39154E-03 ppm1 7.072 ppm2 2.231 CV 1
OR { 424}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 6 and name HG2 ))
ASSI { 425}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HE ))
4.400 2.400 1.600 peak 425 spectrum 1 weight 0.11000E+01 volume 0.33619E-03 ppm1 8.253 ppm2 6.967 CV 1
ASSI { 427}
(( segid " " and resid 17 and name HH22))
(( segid " " and resid 17 and name HH21))
3.600 3.600 2.400 peak 427 spectrum 1 weight 0.11000E+01 volume 0.33161E-03 ppm1 6.971 ppm2 7.188 CV 1
ASSI { 429}
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 23 and name HD21))
1.600 0.300 0.600 peak 429 spectrum 1 weight 0.11000E+01 volume 0.53604E-01 ppm1 6.929 ppm2 7.599 CV 1
ASSI { 431}
(( segid " " and resid 6 and name HE21))
(( segid " " and resid 6 and name HE22))
1.600 0.300 0.600 peak 431 spectrum 1 weight 0.11000E+01 volume 0.46473E-01 ppm1 7.756 ppm2 7.082 CV 1
ASSI { 436}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 20 and name HA ))
3.600 1.600 1.600 peak 436 spectrum 1 weight 0.11000E+01 volume 0.90081E-03 ppm1 4.020 ppm2 4.635 CV 1
ASSI { 437}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 20 and name HA ))
4.200 2.200 1.800 peak 437 spectrum 1 weight 0.11000E+01 volume 0.32417E-03 ppm1 2.685 ppm2 4.637 CV 1
ASSI { 438}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 4 and name HA ))
3.800 1.800 1.800 peak 438 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 2.685 ppm2 4.018 CV 1
ASSI { 442}
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 23 and name HB2 ))
4.700 2.800 1.300 peak 442 spectrum 1 weight 0.11000E+01 volume 0.12758E-03 ppm1 7.588 ppm2 2.763 CV 1
ASSI { 443}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HH11))
4.300 2.400 1.700 peak 443 spectrum 1 weight 0.11000E+01 volume 0.48319E-03 ppm1 8.247 ppm2 8.687 CV 1
ASSI { 444}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HA ))
2.800 1.000 1.000 peak 444 spectrum 1 weight 0.11000E+01 volume 0.50060E-02 ppm1 1.936 ppm2 4.205 CV 1
ASSI { 448}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 6 and name HG1 ))
5.400 3.600 0.600 peak 448 spectrum 1 weight 0.11000E+01 volume 0.49014E-03 ppm1 3.208 ppm2 2.217 CV 1
OR { 448}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 450}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 19 and name HA2 ))
4.800 2.900 1.200 peak 450 spectrum 1 weight 0.11000E+01 volume 0.37957E-03 ppm1 2.859 ppm2 3.726 CV 1
OR { 450}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 19 and name HA1 ))
ASSI { 451}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 19 and name HA1 ))
4.200 2.200 1.800 peak 451 spectrum 1 weight 0.11000E+01 volume 0.37065E-03 ppm1 2.991 ppm2 3.726 CV 1
OR { 451}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 19 and name HA2 ))
ASSI { 456}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 20 and name HA ))
3.200 1.300 1.300 peak 456 spectrum 1 weight 0.11000E+01 volume 0.17758E-02 ppm1 4.149 ppm2 4.642 CV 1
ASSI { 458}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 9 and name HG2 ))
2.600 0.900 0.900 peak 458 spectrum 1 weight 0.11000E+01 volume 0.75996E-02 ppm1 3.600 ppm2 1.934 CV 1
OR { 458}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 462}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 8 and name HA ))
2.300 2.300 3.700 peak 462 spectrum 1 weight 0.11000E+01 volume 0.14280E-02 ppm1 2.857 ppm2 4.002 CV 1
ASSI { 464}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 9 and name HA ))
3.300 1.300 1.300 peak 464 spectrum 1 weight 0.11000E+01 volume 0.22309E-02 ppm1 3.603 ppm2 4.204 CV 1
OR { 464}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 9 and name HA ))
ASSI { 465}
( segid " " and resid 8 and name HD2%)
(( segid " " and resid 8 and name HG ))
2.900 1.100 1.100 peak 465 spectrum 1 weight 0.11000E+01 volume 0.22667E-02 ppm1 0.883 ppm2 1.698 CV 1
ASSI { 474}
(( segid " " and resid 17 and name HE ))
( segid " " and resid 29 and name HG2%)
4.300 2.400 1.700 peak 474 spectrum 1 weight 0.11000E+01 volume 0.42670E-03 ppm1 6.955 ppm2 1.281 CV 1
ASSI { 475}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
3.900 3.900 2.100 peak 475 spectrum 1 weight 0.11000E+01 volume 0.94411E-03 ppm1 3.244 ppm2 2.499 CV 1
OR { 475}
(( segid " " and resid 5 and name HD1 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 476}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 7 and name HA ))
4.900 3.000 1.100 peak 476 spectrum 1 weight 0.11000E+01 volume 0.37434E-03 ppm1 2.865 ppm2 4.837 CV 1
ASSI { 477}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 7 and name HA ))
4.100 2.100 1.900 peak 477 spectrum 1 weight 0.11000E+01 volume 0.11034E-02 ppm1 2.581 ppm2 4.838 CV 1
ASSI { 478}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 11 and name HA ))
2.700 2.700 3.300 peak 478 spectrum 1 weight 0.11000E+01 volume 0.48354E-03 ppm1 2.724 ppm2 4.620 CV 1
ASSI { 479}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 2 and name HB2 ))
3.200 3.200 2.800 peak 479 spectrum 1 weight 0.11000E+01 volume 0.20902E-03 ppm1 7.076 ppm2 1.846 CV 1
ASSI { 481}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HG1 ))
3.300 1.400 1.400 peak 481 spectrum 1 weight 0.11000E+01 volume 0.97938E-03 ppm1 2.965 ppm2 1.170 CV 1
OR { 481}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG2 ))
OR { 481}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HG2 ))
OR { 481}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 483}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 18 and name HB2 ))
4.400 2.400 1.600 peak 483 spectrum 1 weight 0.11000E+01 volume 0.57579E-03 ppm1 4.092 ppm2 3.054 CV 1
ASSI { 484}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 16 and name HB2 ))
2.900 1.100 1.100 peak 484 spectrum 1 weight 0.11000E+01 volume 0.11009E-02 ppm1 2.856 ppm2 1.744 CV 1
ASSI { 485}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 3 and name HG12))
2.700 0.900 0.900 peak 485 spectrum 1 weight 0.11000E+01 volume 0.39598E-02 ppm1 2.229 ppm2 1.304 CV 1
OR { 485}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 3 and name HG11))
OR { 485}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 3 and name HG11))
ASSI { 488}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 12 and name HB2 ))
3.700 3.700 2.300 peak 488 spectrum 1 weight 0.11000E+01 volume 0.48732E-03 ppm1 1.340 ppm2 1.929 CV 1
ASSI { 489}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 16 and name HG1 ))
5.400 3.600 0.600 peak 489 spectrum 1 weight 0.11000E+01 volume 0.16670E-03 ppm1 1.534 ppm2 2.429 CV 1
ASSI { 490}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 3 and name HA ))
4.500 2.600 1.500 peak 490 spectrum 1 weight 0.11000E+01 volume 0.34997E-03 ppm1 1.537 ppm2 4.898 CV 1
ASSI { 491}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 11 and name HA ))
3.400 1.500 1.500 peak 491 spectrum 1 weight 0.11000E+01 volume 0.10180E-02 ppm1 1.522 ppm2 4.618 CV 1
ASSI { 492}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 31 and name HE1 ))
4.600 2.700 1.400 peak 492 spectrum 1 weight 0.11000E+01 volume 0.23536E-03 ppm1 1.413 ppm2 2.942 CV 1
OR { 492}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 31 and name HE2 ))
ASSI { 496}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 20 and name HA ))
4.300 2.300 1.700 peak 496 spectrum 1 weight 0.11000E+01 volume 0.71053E-03 ppm1 4.093 ppm2 4.639 CV 1
ASSI { 497}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 28 and name HB2 ))
1.800 0.400 0.400 peak 497 spectrum 1 weight 0.11000E+01 volume 0.21119E-01 ppm1 2.992 ppm2 2.728 CV 1
ASSI { 499}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 9 and name HD1 ))
2.700 0.900 0.900 peak 499 spectrum 1 weight 0.11000E+01 volume 0.48354E-02 ppm1 2.933 ppm2 1.665 CV 1
OR { 499}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 9 and name HD2 ))
OR { 499}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 503}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.57963E-02 ppm1 2.550 ppm2 1.740 CV 1
ASSI { 506}
(( segid " " and resid 5 and name HG1 ))
(( segid " " and resid 5 and name HB2 ))
1.800 0.400 0.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.40674E-01 ppm1 1.952 ppm2 1.750 CV 1
OR { 506}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HB1 ))
OR { 506}
(( segid " " and resid 5 and name HG1 ))
(( segid " " and resid 5 and name HB1 ))
OR { 506}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 520}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HD1 ))
2.000 0.500 0.500 peak 520 spectrum 1 weight 0.11000E+01 volume 0.19776E-01 ppm1 1.346 ppm2 1.640 CV 1
OR { 520}
(( segid " " and resid 31 and name HG1 ))
(( segid " " and resid 31 and name HD2 ))
OR { 520}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HD2 ))
OR { 520}
(( segid " " and resid 31 and name HG1 ))
(( segid " " and resid 31 and name HD1 ))
ASSI { 522}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HG1 ))
4.400 2.400 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.21465E-03 ppm1 1.654 ppm2 2.345 CV 1
ASSI { 526}
( segid " " and resid 8 and name HD2%)
( segid " " and resid 8 and name HD1%)
3.400 1.500 1.500 peak 526 spectrum 1 weight 0.11000E+01 volume 0.10656E-02 ppm1 0.895 ppm2 1.015 CV 1
ASSI { 530}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 11 and name HB2 ))
4.400 2.400 1.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.10277E-02 ppm1 2.065 ppm2 2.540 CV 1
ASSI { 533}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HE2 ))
2.600 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.50068E-02 ppm1 1.666 ppm2 2.929 CV 1
OR { 533}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HE1 ))
OR { 533}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HE2 ))
OR { 533}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HE1 ))
ASSI { 538}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB1 ))
1.500 0.300 0.700 peak 538 spectrum 1 weight 0.11000E+01 volume 0.35445E-01 ppm1 2.681 ppm2 3.087 CV 1
ASSI { 541}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 29 and name HB ))
5.200 3.400 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.40779E-03 ppm1 3.141 ppm2 4.105 CV 1
ASSI { 542}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 5 and name HA ))
3.300 1.400 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.82313E-03 ppm1 1.832 ppm2 4.110 CV 1
OR { 542}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 5 and name HA ))
ASSI { 543}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
2.800 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.29157E-02 ppm1 1.814 ppm2 4.838 CV 1
OR { 543}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HA ))
ASSI { 545}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 10 and name HB1 ))
4.100 2.100 1.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 1.959 ppm2 2.266 CV 1
ASSI { 550}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HB1 ))
2.000 0.500 0.500 peak 550 spectrum 1 weight 0.10000E+01 volume 0.94958E-02 ppm1 1.862 ppm2 1.350 CV 1
ASSI { 558}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HB1 ))
1.800 0.400 0.400 peak 558 spectrum 1 weight 0.11000E+01 volume 0.27619E-01 ppm1 3.134 ppm2 3.268 CV 1
ASSI { 559}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB1 ))
1.900 0.400 0.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.21266E-01 ppm1 2.754 ppm2 3.072 CV 1
ASSI { 561}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 29 and name HB ))
3.900 1.900 1.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 7.125 ppm2 4.086 CV 1
ASSI { 566}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 16 and name HB1 ))
2.500 0.800 0.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.72404E-02 ppm1 2.444 ppm2 2.049 CV 1
ASSI { 567}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 11 and name HB2 ))
5.800 4.300 0.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.20852E-03 ppm1 2.360 ppm2 2.542 CV 1
ASSI { 568}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
2.500 0.800 0.800 peak 568 spectrum 1 weight 0.11000E+01 volume 0.58524E-02 ppm1 8.844 ppm2 1.937 CV 1
OR { 568}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 569}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 569 spectrum 1 weight 0.11000E+01 volume 0.16158E-02 ppm1 8.027 ppm2 4.277 CV 1
ASSI { 573}
(( segid " " and resid 5 and name HB1 ))
( segid " " and resid 3 and name HD1%)
5.100 3.200 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.21527E-03 ppm1 1.753 ppm2 0.938 CV 1
OR { 573}
(( segid " " and resid 5 and name HB2 ))
( segid " " and resid 3 and name HD1%)
ASSI { 574}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG1 ))
2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.10795E-01 ppm1 1.949 ppm2 1.520 CV 1
OR { 574}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 582}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 1 and name HA ))
5.600 3.900 0.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.13958E-03 ppm1 7.074 ppm2 4.251 CV 1
ASSI { 583}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.600 1.600 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.65264E-03 ppm1 7.765 ppm2 1.729 CV 1
OR { 583}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 584}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 4 and name HB1 ))
6.000 4.500 0.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.777 ppm2 4.091 CV 1
ASSI { 585}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 4 and name HB2 ))
6.000 4.500 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.777 ppm2 4.143 CV 1
ASSI { 588}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 11 and name HB1 ))
6.000 6.000 0.000 peak 588 spectrum 1 weight 0.11000E+01 volume 0.13923E-04 ppm1 3.999 ppm2 2.852 CV 1
ASSI { 5}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.700 1.700 1.700 peak 5 spectrum 2 weight 0.11000E+01 volume 0.45047E-03 ppm1 9.043 ppm2 2.862 CV 1
ASSI { 8}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
2.900 1.000 1.000 peak 8 spectrum 2 weight 0.11000E+01 volume 0.27335E-02 ppm1 8.808 ppm2 1.935 CV 1
ASSI { 28}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB1 ))
3.000 1.100 1.100 peak 28 spectrum 2 weight 0.11000E+01 volume 0.74680E-02 ppm1 7.518 ppm2 2.857 CV 1
ASSI { 29}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.100 1.200 1.200 peak 29 spectrum 2 weight 0.11000E+01 volume 0.12149E-02 ppm1 7.517 ppm2 2.551 CV 1
ASSI { 34}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB1 ))
2.300 0.600 0.600 peak 34 spectrum 2 weight 0.11000E+01 volume 0.71867E-02 ppm1 7.224 ppm2 1.829 CV 1
OR { 34}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 36}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 3 and name HG2%)
3.500 1.600 1.600 peak 36 spectrum 2 weight 0.11000E+01 volume 0.14017E-02 ppm1 7.866 ppm2 1.151 CV 1
ASSI { 38}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 3 and name HB ))
2.400 0.700 0.700 peak 38 spectrum 2 weight 0.11000E+01 volume 0.85068E-02 ppm1 0.963 ppm2 2.198 CV 1
ASSI { 40}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 27 and name HB1 ))
4.200 2.200 1.800 peak 40 spectrum 2 weight 0.11000E+01 volume 0.41094E-03 ppm1 7.308 ppm2 3.304 CV 1
ASSI { 45}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB1 ))
3.600 1.700 1.700 peak 45 spectrum 2 weight 0.11000E+01 volume 0.19667E-02 ppm1 7.515 ppm2 2.272 CV 1
ASSI { 46}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.700 0.900 0.900 peak 46 spectrum 2 weight 0.11000E+01 volume 0.26468E-02 ppm1 7.518 ppm2 1.779 CV 1
ASSI { 47}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.400 0.700 0.700 peak 47 spectrum 2 weight 0.11000E+01 volume 0.87032E-02 ppm1 4.205 ppm2 1.838 CV 1
ASSI { 48}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HG ))
2.600 0.800 0.800 peak 48 spectrum 2 weight 0.11000E+01 volume 0.61486E-02 ppm1 4.009 ppm2 1.706 CV 1
ASSI { 49}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD1%)
3.500 1.500 1.500 peak 49 spectrum 2 weight 0.11000E+01 volume 0.81975E-03 ppm1 4.003 ppm2 1.008 CV 1
ASSI { 50}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD2%)
3.300 1.400 1.400 peak 50 spectrum 2 weight 0.11000E+01 volume 0.35511E-02 ppm1 4.003 ppm2 0.890 CV 1
ASSI { 52}
(( segid " " and resid 8 and name HB1 ))
( segid " " and resid 8 and name HD1%)
3.300 1.400 1.400 peak 52 spectrum 2 weight 0.11000E+01 volume 0.11804E-02 ppm1 1.827 ppm2 1.006 CV 1
OR { 52}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HD1%)
ASSI { 53}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
3.000 1.200 1.200 peak 53 spectrum 2 weight 0.11000E+01 volume 0.17944E-02 ppm1 4.067 ppm2 1.343 CV 1
ASSI { 54}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB1 ))
2.300 0.700 0.700 peak 54 spectrum 2 weight 0.11000E+01 volume 0.61190E-02 ppm1 4.221 ppm2 2.595 CV 1
ASSI { 56}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
2.300 0.700 0.700 peak 56 spectrum 2 weight 0.11000E+01 volume 0.99791E-02 ppm1 4.214 ppm2 2.220 CV 1
OR { 56}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG1 ))
ASSI { 62}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB1 ))
2.400 0.700 0.700 peak 62 spectrum 2 weight 0.11000E+01 volume 0.89710E-02 ppm1 4.368 ppm2 3.073 CV 1
ASSI { 68}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 1 and name HB2 ))
2.200 0.600 0.600 peak 68 spectrum 2 weight 0.11000E+01 volume 0.95115E-02 ppm1 4.252 ppm2 3.011 CV 1
ASSI { 75}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 27 and name HB2 ))
3.500 1.500 1.500 peak 75 spectrum 2 weight 0.11000E+01 volume 0.88427E-03 ppm1 7.305 ppm2 3.152 CV 1
ASSI { 80}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.300 0.700 0.700 peak 80 spectrum 2 weight 0.11000E+01 volume 0.10496E-01 ppm1 4.450 ppm2 2.941 CV 1
OR { 80}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB1 ))
ASSI { 81}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HB% )
2.200 0.600 0.600 peak 81 spectrum 2 weight 0.11000E+01 volume 0.15640E-01 ppm1 4.511 ppm2 1.513 CV 1
ASSI { 82}
(( segid " " and resid 15 and name HA1 ))
(( segid " " and resid 15 and name HA2 ))
1.600 0.300 0.600 peak 82 spectrum 2 weight 0.11000E+01 volume 0.45148E-01 ppm1 4.154 ppm2 3.837 CV 1
ASSI { 83}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB1 ))
2.400 0.700 0.700 peak 83 spectrum 2 weight 0.11000E+01 volume 0.78806E-02 ppm1 4.213 ppm2 1.414 CV 1
ASSI { 84}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.600 0.800 0.800 peak 84 spectrum 2 weight 0.11000E+01 volume 0.54060E-02 ppm1 4.212 ppm2 1.331 CV 1
ASSI { 85}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG1 ))
2.900 1.100 1.100 peak 85 spectrum 2 weight 0.11000E+01 volume 0.26166E-02 ppm1 4.211 ppm2 1.170 CV 1
OR { 85}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 88}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 88 spectrum 2 weight 0.11000E+01 volume 0.34651E-02 ppm1 4.603 ppm2 3.053 CV 1
ASSI { 96}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HB1 ))
3.300 1.400 1.400 peak 96 spectrum 2 weight 0.11000E+01 volume 0.20121E-02 ppm1 3.879 ppm2 2.348 CV 1
OR { 96}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HB2 ))
OR { 96}
(( segid " " and resid 30 and name HD1 ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 97}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG1 ))
3.000 1.100 1.100 peak 97 spectrum 2 weight 0.11000E+01 volume 0.23938E-02 ppm1 4.279 ppm2 1.518 CV 1
ASSI { 98}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG2 ))
2.900 1.000 1.000 peak 98 spectrum 2 weight 0.11000E+01 volume 0.20941E-02 ppm1 4.279 ppm2 1.443 CV 1
ASSI { 99}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HG1 ))
2.800 1.000 1.000 peak 99 spectrum 2 weight 0.11000E+01 volume 0.38576E-02 ppm1 4.071 ppm2 1.745 CV 1
OR { 99}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HG2 ))
ASSI { 100}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HA ))
2.700 0.900 0.900 peak 100 spectrum 2 weight 0.11000E+01 volume 0.32330E-02 ppm1 4.101 ppm2 4.903 CV 1
ASSI { 101}
(( segid " " and resid 30 and name HD1 ))
(( segid " " and resid 29 and name HA ))
2.000 0.500 0.500 peak 101 spectrum 2 weight 0.11000E+01 volume 0.20596E-01 ppm1 3.878 ppm2 4.904 CV 1
OR { 101}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 29 and name HA ))
ASSI { 102}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 18 and name HB2 ))
2.400 0.700 0.700 peak 102 spectrum 2 weight 0.11000E+01 volume 0.52711E-02 ppm1 7.122 ppm2 3.066 CV 1
ASSI { 103}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 18 and name HB1 ))
2.600 0.800 0.800 peak 103 spectrum 2 weight 0.11000E+01 volume 0.43001E-02 ppm1 7.123 ppm2 3.143 CV 1
ASSI { 105}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG2%)
2.300 0.700 0.700 peak 105 spectrum 2 weight 0.11000E+01 volume 0.10133E-01 ppm1 4.097 ppm2 1.284 CV 1
ASSI { 107}
(( segid " " and resid 30 and name HD1 ))
(( segid " " and resid 30 and name HG1 ))
2.000 0.500 0.500 peak 107 spectrum 2 weight 0.11000E+01 volume 0.20696E-01 ppm1 3.882 ppm2 2.056 CV 1
OR { 107}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG2 ))
OR { 107}
(( segid " " and resid 30 and name HD1 ))
(( segid " " and resid 30 and name HG2 ))
OR { 107}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG1 ))
ASSI { 115}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HB1 ))
1.600 0.300 0.600 peak 115 spectrum 2 weight 0.11000E+01 volume 0.29961E-01 ppm1 3.016 ppm2 3.228 CV 1
ASSI { 117}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HB1 ))
2.800 1.000 1.000 peak 117 spectrum 2 weight 0.11000E+01 volume 0.89751E-02 ppm1 3.598 ppm2 2.276 CV 1
OR { 117}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 10 and name HB1 ))
ASSI { 120}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB1 ))
2.100 0.500 0.500 peak 120 spectrum 2 weight 0.11000E+01 volume 0.95611E-02 ppm1 5.344 ppm2 2.987 CV 1
ASSI { 121}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
3.000 1.100 1.100 peak 121 spectrum 2 weight 0.11000E+01 volume 0.28972E-02 ppm1 5.343 ppm2 2.741 CV 1
ASSI { 123}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG2 ))
2.700 0.900 0.900 peak 123 spectrum 2 weight 0.11000E+01 volume 0.54081E-02 ppm1 4.116 ppm2 1.938 CV 1
OR { 123}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG1 ))
ASSI { 124}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB2 ))
2.300 0.700 0.700 peak 124 spectrum 2 weight 0.11000E+01 volume 0.80286E-02 ppm1 4.116 ppm2 1.747 CV 1
OR { 124}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 125}
(( segid " " and resid 5 and name HD1 ))
(( segid " " and resid 5 and name HG2 ))
3.900 1.900 1.900 peak 125 spectrum 2 weight 0.11000E+01 volume 0.36769E-03 ppm1 3.236 ppm2 1.941 CV 1
OR { 125}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HG1 ))
OR { 125}
(( segid " " and resid 5 and name HD1 ))
(( segid " " and resid 5 and name HG1 ))
OR { 125}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 130}
( segid " " and resid 3 and name HG2%)
( segid " " and resid 3 and name HD1%)
2.800 1.000 1.000 peak 130 spectrum 2 weight 0.11000E+01 volume 0.29880E-02 ppm1 1.151 ppm2 0.955 CV 1
ASSI { 148}
(( segid " " and resid 2 and name HG2 ))
(( segid " " and resid 2 and name HA ))
5.700 4.100 0.300 peak 148 spectrum 2 weight 0.11000E+01 volume 0.58408E-04 ppm1 1.881 ppm2 4.521 CV 1
ASSI { 149}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 2 and name HG1 ))
2.500 0.800 0.800 peak 149 spectrum 2 weight 0.11000E+01 volume 0.96630E-02 ppm1 1.547 ppm2 1.922 CV 1
ASSI { 155}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
2.800 1.000 1.000 peak 155 spectrum 2 weight 0.11000E+01 volume 0.24626E-02 ppm1 1.823 ppm2 4.001 CV 1
OR { 155}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HA ))
ASSI { 181}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HA ))
4.100 2.100 1.900 peak 181 spectrum 2 weight 0.11000E+01 volume 0.57119E-03 ppm1 1.817 ppm2 4.074 CV 1
OR { 181}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HA ))
ASSI { 185}
( segid " " and resid 18 and name HE% )
( segid " " and resid 29 and name HG2%)
2.300 2.300 3.700 peak 185 spectrum 2 weight 0.11000E+01 volume 0.12832E-02 ppm1 7.301 ppm2 1.295 CV 1
ASSI { 189}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 8 and name HD1%)
3.800 1.800 1.800 peak 189 spectrum 2 weight 0.11000E+01 volume 0.18071E-02 ppm1 4.120 ppm2 1.016 CV 1
ASSI { 191}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 21 and name HB2 ))
2.800 1.000 1.000 peak 191 spectrum 2 weight 0.11000E+01 volume 0.88993E-02 ppm1 4.018 ppm2 2.526 CV 1
ASSI { 194}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 21 and name HB1 ))
2.800 1.000 1.000 peak 194 spectrum 2 weight 0.11000E+01 volume 0.46228E-02 ppm1 4.021 ppm2 2.724 CV 1
ASSI { 195}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 7 and name HB2 ))
3.400 1.400 1.400 peak 195 spectrum 2 weight 0.11000E+01 volume 0.24359E-02 ppm1 3.728 ppm2 2.693 CV 1
OR { 195}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 202}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 2 and name HG1 ))
4.400 4.400 1.600 peak 202 spectrum 2 weight 0.11000E+01 volume 0.27353E-03 ppm1 0.962 ppm2 1.953 CV 1
ASSI { 210}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 28 and name HA ))
3.000 1.100 1.100 peak 210 spectrum 2 weight 0.11000E+01 volume 0.14241E-02 ppm1 3.727 ppm2 5.346 CV 1
OR { 210}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 28 and name HA ))
ASSI { 218}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 6 and name HB2 ))
3.500 1.500 1.500 peak 218 spectrum 2 weight 0.11000E+01 volume 0.34139E-02 ppm1 3.214 ppm2 2.505 CV 1
ASSI { 220}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 3 and name HB ))
5.300 3.500 0.700 peak 220 spectrum 2 weight 0.11000E+01 volume 0.47965E-03 ppm1 3.209 ppm2 2.217 CV 1
ASSI { 225}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 30 and name HD2 ))
3.000 1.100 1.100 peak 225 spectrum 2 weight 0.11000E+01 volume 0.58850E-02 ppm1 4.094 ppm2 3.874 CV 1
OR { 225}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 30 and name HD1 ))
ASSI { 227}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 9 and name HB2 ))
2.500 0.800 0.800 peak 227 spectrum 2 weight 0.11000E+01 volume 0.48943E-02 ppm1 3.602 ppm2 1.834 CV 1
OR { 227}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 229}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 10 and name HD1 ))
2.700 0.900 0.900 peak 229 spectrum 2 weight 0.11000E+01 volume 0.80203E-02 ppm1 1.938 ppm2 3.597 CV 1
OR { 229}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 10 and name HD2 ))
ASSI { 234}
( segid " " and resid 8 and name HD1%)
(( segid " " and resid 8 and name HG ))
2.700 0.900 0.900 peak 234 spectrum 2 weight 0.11000E+01 volume 0.39430E-02 ppm1 1.025 ppm2 1.706 CV 1
ASSI { 239}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
2.200 0.600 0.600 peak 239 spectrum 2 weight 0.11000E+01 volume 0.85878E-02 ppm1 4.598 ppm2 2.344 CV 1
OR { 239}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB1 ))
ASSI { 240}
(( segid " " and resid 30 and name HG1 ))
(( segid " " and resid 28 and name HB1 ))
3.500 1.500 1.500 peak 240 spectrum 2 weight 0.11000E+01 volume 0.12735E-02 ppm1 2.052 ppm2 2.990 CV 1
OR { 240}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 28 and name HB1 ))
ASSI { 243}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 26 and name HB2 ))
2.600 0.800 0.800 peak 243 spectrum 2 weight 0.11000E+01 volume 0.32947E-02 ppm1 3.071 ppm2 2.571 CV 1
ASSI { 248}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 28 and name HB1 ))
3.500 1.500 1.500 peak 248 spectrum 2 weight 0.11000E+01 volume 0.18703E-02 ppm1 2.577 ppm2 2.992 CV 1
ASSI { 252}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 31 and name HE1 ))
3.000 1.200 1.200 peak 252 spectrum 2 weight 0.11000E+01 volume 0.26394E-02 ppm1 1.344 ppm2 2.943 CV 1
OR { 252}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 31 and name HE2 ))
ASSI { 253}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 31 and name HE1 ))
2.500 0.800 0.800 peak 253 spectrum 2 weight 0.11000E+01 volume 0.56728E-02 ppm1 1.176 ppm2 2.940 CV 1
OR { 253}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 31 and name HE2 ))
OR { 253}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 31 and name HE2 ))
OR { 253}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 31 and name HE1 ))
ASSI { 254}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG1 ))
2.400 0.700 0.700 peak 254 spectrum 2 weight 0.11000E+01 volume 0.47028E-02 ppm1 1.732 ppm2 2.428 CV 1
ASSI { 255}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.300 0.600 0.600 peak 255 spectrum 2 weight 0.11000E+01 volume 0.80719E-02 ppm1 5.062 ppm2 2.578 CV 1
ASSI { 257}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 7 and name HB1 ))
4.600 2.700 1.400 peak 257 spectrum 2 weight 0.11000E+01 volume 0.89656E-03 ppm1 5.063 ppm2 3.077 CV 1
ASSI { 259}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 26 and name HA ))
2.300 0.700 0.700 peak 259 spectrum 2 weight 0.10000E+01 volume 0.63845E-02 ppm1 4.847 ppm2 5.065 CV 1
ASSI { 260}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HG1 ))
4.900 3.000 1.100 peak 260 spectrum 2 weight 0.11000E+01 volume 0.64419E-03 ppm1 4.905 ppm2 2.052 CV 1
OR { 260}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HG2 ))
ASSI { 261}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB ))
2.400 0.700 0.700 peak 261 spectrum 2 weight 0.11000E+01 volume 0.76377E-02 ppm1 4.905 ppm2 2.191 CV 1
ASSI { 262}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 21 and name HB2 ))
4.200 2.200 1.800 peak 262 spectrum 2 weight 0.11000E+01 volume 0.79240E-03 ppm1 4.907 ppm2 2.535 CV 1
ASSI { 263}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 21 and name HB1 ))
2.900 1.100 1.100 peak 263 spectrum 2 weight 0.11000E+01 volume 0.17877E-02 ppm1 4.905 ppm2 2.737 CV 1
ASSI { 264}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 11 and name HB2 ))
3.800 1.800 1.800 peak 264 spectrum 2 weight 0.11000E+01 volume 0.13399E-02 ppm1 5.344 ppm2 2.553 CV 1
ASSI { 266}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG2%)
2.500 0.800 0.800 peak 266 spectrum 2 weight 0.11000E+01 volume 0.57223E-02 ppm1 4.903 ppm2 1.286 CV 1
ASSI { 267}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 3 and name HG2%)
4.400 2.500 1.600 peak 267 spectrum 2 weight 0.11000E+01 volume 0.19599E-03 ppm1 4.900 ppm2 1.159 CV 1
ASSI { 268}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB1 ))
2.400 0.700 0.700 peak 268 spectrum 2 weight 0.11000E+01 volume 0.60638E-02 ppm1 4.902 ppm2 3.293 CV 1
ASSI { 271}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HD2 ))
2.400 0.700 0.700 peak 271 spectrum 2 weight 0.11000E+01 volume 0.75731E-02 ppm1 4.841 ppm2 3.588 CV 1
OR { 271}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HD1 ))
ASSI { 274}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.700 0.900 0.900 peak 274 spectrum 2 weight 0.11000E+01 volume 0.30976E-02 ppm1 4.839 ppm2 2.710 CV 1
ASSI { 275}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HB1 ))
3.400 1.500 1.500 peak 275 spectrum 2 weight 0.11000E+01 volume 0.47486E-02 ppm1 4.840 ppm2 2.272 CV 1
ASSI { 276}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HG1 ))
3.300 1.300 1.300 peak 276 spectrum 2 weight 0.11000E+01 volume 0.11542E-02 ppm1 4.839 ppm2 2.118 CV 1
OR { 276}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HG2 ))
ASSI { 277}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.200 0.600 0.600 peak 277 spectrum 2 weight 0.11000E+01 volume 0.10894E-01 ppm1 4.837 ppm2 1.785 CV 1
ASSI { 280}
(( segid " " and resid 17 and name HH12))
(( segid " " and resid 31 and name HA ))
6.000 5.500 0.000 peak 280 spectrum 2 weight 0.10000E+01 volume 0.28473E-04 ppm1 7.291 ppm2 4.063 CV 1
ASSI { 282}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
3.100 1.200 1.200 peak 282 spectrum 2 weight 0.11000E+01 volume 0.17477E-02 ppm1 4.636 ppm2 1.319 CV 1
OR { 282}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG1 ))
ASSI { 284}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD1 ))
3.100 1.200 1.200 peak 284 spectrum 2 weight 0.10000E+01 volume 0.20456E-02 ppm1 4.596 ppm2 3.851 CV 1
OR { 284}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD2 ))
ASSI { 287}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HA2 ))
3.600 1.600 1.600 peak 287 spectrum 2 weight 0.10000E+01 volume 0.72810E-03 ppm1 4.704 ppm2 3.830 CV 1
ASSI { 288}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 3 and name HB ))
2.300 2.300 3.700 peak 288 spectrum 2 weight 0.11000E+01 volume 0.12417E-02 ppm1 4.713 ppm2 2.218 CV 1
ASSI { 289}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HG2 ))
6.000 6.000 0.000 peak 289 spectrum 2 weight 0.10000E+01 volume 0.54709E-05 ppm1 4.716 ppm2 1.189 CV 1
OR { 289}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 290}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 31 and name HB2 ))
3.800 1.800 1.800 peak 290 spectrum 2 weight 0.11000E+01 volume 0.48493E-03 ppm1 4.695 ppm2 1.355 CV 1
ASSI { 291}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 31 and name HB1 ))
3.600 1.600 1.600 peak 291 spectrum 2 weight 0.11000E+01 volume 0.13751E-02 ppm1 4.694 ppm2 1.655 CV 1
ASSI { 293}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB1 ))
3.700 1.700 1.700 peak 293 spectrum 2 weight 0.11000E+01 volume 0.91476E-03 ppm1 4.700 ppm2 1.920 CV 1
ASSI { 298}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG1 ))
2.500 0.800 0.800 peak 298 spectrum 2 weight 0.11000E+01 volume 0.62220E-02 ppm1 4.598 ppm2 2.057 CV 1
OR { 298}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG2 ))
ASSI { 299}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 8 and name HD1%)
3.600 3.600 2.400 peak 299 spectrum 2 weight 0.11000E+01 volume 0.67926E-03 ppm1 4.601 ppm2 1.005 CV 1
ASSI { 300}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 8 and name HD2%)
3.300 1.400 1.400 peak 300 spectrum 2 weight 0.11000E+01 volume 0.15461E-03 ppm1 4.598 ppm2 0.894 CV 1
ASSI { 304}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HD2 ))
4.100 2.100 1.900 peak 304 spectrum 2 weight 0.11000E+01 volume 0.90510E-03 ppm1 4.516 ppm2 1.700 CV 1
OR { 304}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HD1 ))
ASSI { 306}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 13 and name HB2 ))
3.300 1.400 1.400 peak 306 spectrum 2 weight 0.11000E+01 volume 0.13461E-02 ppm1 4.214 ppm2 2.938 CV 1
OR { 306}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 13 and name HB1 ))
ASSI { 307}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 6 and name HB2 ))
4.000 2.000 2.000 peak 307 spectrum 2 weight 0.11000E+01 volume 0.59065E-03 ppm1 4.253 ppm2 2.492 CV 1
ASSI { 308}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 3 and name HB ))
5.100 3.200 0.900 peak 308 spectrum 2 weight 0.11000E+01 volume 0.48153E-03 ppm1 4.254 ppm2 2.210 CV 1
ASSI { 309}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.200 0.600 0.600 peak 309 spectrum 2 weight 0.11000E+01 volume 0.10559E-01 ppm1 4.275 ppm2 1.940 CV 1
OR { 309}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 310}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB1 ))
2.200 0.600 0.600 peak 310 spectrum 2 weight 0.11000E+01 volume 0.10652E-01 ppm1 4.206 ppm2 1.937 CV 1
ASSI { 311}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 25 and name HG2 ))
4.400 2.500 1.600 peak 311 spectrum 2 weight 0.10000E+01 volume 0.46357E-03 ppm1 4.369 ppm2 1.414 CV 1
OR { 311}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 25 and name HG1 ))
ASSI { 314}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 21 and name HB2 ))
6.000 6.000 0.000 peak 314 spectrum 2 weight 0.10000E+01 volume 0.22365E-04 ppm1 4.075 ppm2 2.520 CV 1
ASSI { 316}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 11 and name HB1 ))
4.700 2.800 1.300 peak 316 spectrum 2 weight 0.11000E+01 volume 0.29716E-03 ppm1 3.739 ppm2 2.855 CV 1
OR { 316}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 321}
(( segid " " and resid 2 and name HE2 ))
(( segid " " and resid 6 and name HB2 ))
5.700 4.100 0.300 peak 321 spectrum 2 weight 0.11000E+01 volume 0.98212E-04 ppm1 3.034 ppm2 2.492 CV 1
OR { 321}
(( segid " " and resid 2 and name HE1 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 322}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 16 and name HB1 ))
3.300 1.400 1.400 peak 322 spectrum 2 weight 0.10000E+01 volume 0.10171E-02 ppm1 3.004 ppm2 2.042 CV 1
ASSI { 327}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 26 and name HB2 ))
2.800 1.000 1.000 peak 327 spectrum 2 weight 0.11000E+01 volume 0.27465E-02 ppm1 2.678 ppm2 2.563 CV 1
ASSI { 329}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 16 and name HB2 ))
3.500 1.500 1.500 peak 329 spectrum 2 weight 0.10000E+01 volume 0.22943E-02 ppm1 2.750 ppm2 1.737 CV 1
ASSI { 332}
(( segid " " and resid 16 and name HG1 ))
( segid " " and resid 14 and name HB% )
4.600 2.700 1.400 peak 332 spectrum 2 weight 0.10000E+01 volume 0.18722E-03 ppm1 2.430 ppm2 1.511 CV 1
ASSI { 333}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 14 and name HB% )
3.500 3.500 2.500 peak 333 spectrum 2 weight 0.10000E+01 volume 0.10097E-02 ppm1 2.345 ppm2 1.511 CV 1
ASSI { 336}
(( segid " " and resid 22 and name HG1 ))
(( segid " " and resid 22 and name HB1 ))
3.800 1.800 1.800 peak 336 spectrum 2 weight 0.10000E+01 volume 0.59714E-03 ppm1 2.326 ppm2 1.918 CV 1
ASSI { 337}
(( segid " " and resid 6 and name HG1 ))
( segid " " and resid 3 and name HG2%)
2.500 2.500 3.500 peak 337 spectrum 2 weight 0.11000E+01 volume 0.92464E-03 ppm1 2.243 ppm2 1.148 CV 1
OR { 337}
(( segid " " and resid 6 and name HG2 ))
( segid " " and resid 3 and name HG2%)
ASSI { 342}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG1 ))
1.700 0.300 0.500 peak 342 spectrum 2 weight 0.10000E+01 volume 0.44234E-01 ppm1 2.493 ppm2 2.203 CV 1
OR { 342}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 344}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB1 ))
1.700 1.700 4.300 peak 344 spectrum 2 weight 0.11000E+01 volume 0.51009E-01 ppm1 2.241 ppm2 2.592 CV 1
OR { 344}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 345}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HG2 ))
4.000 2.000 2.000 peak 345 spectrum 2 weight 0.10000E+01 volume 0.31892E-03 ppm1 1.939 ppm2 0.948 CV 1
ASSI { 352}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB1 ))
1.800 0.400 0.400 peak 352 spectrum 2 weight 0.11000E+01 volume 0.15764E-01 ppm1 1.757 ppm2 2.048 CV 1
ASSI { 353}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HD2 ))
2.000 0.500 0.500 peak 353 spectrum 2 weight 0.10000E+01 volume 0.20685E-01 ppm1 1.476 ppm2 1.681 CV 1
OR { 353}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 359}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HB1 ))
1.900 0.500 0.500 peak 359 spectrum 2 weight 0.11000E+01 volume 0.12980E-01 ppm1 1.373 ppm2 1.642 CV 1
ASSI { 362}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HB2 ))
2.500 0.800 0.800 peak 362 spectrum 2 weight 0.11000E+01 volume 0.52585E-02 ppm1 1.465 ppm2 1.835 CV 1
ASSI { 364}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB1 ))
2.200 0.600 0.600 peak 364 spectrum 2 weight 0.11000E+01 volume 0.11603E-01 ppm1 1.188 ppm2 1.406 CV 1
OR { 364}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB1 ))
ASSI { 368}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 16 and name HG1 ))
3.300 1.400 1.400 peak 368 spectrum 2 weight 0.10000E+01 volume 0.19233E-02 ppm1 2.733 ppm2 2.416 CV 1
ASSI { 375}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HE2 ))
3.300 1.400 1.400 peak 375 spectrum 2 weight 0.10000E+01 volume 0.11710E-02 ppm1 1.725 ppm2 2.992 CV 1
OR { 375}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HE1 ))
OR { 375}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 25 and name HE2 ))
OR { 375}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HE1 ))
ASSI { 377}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 22 and name HB1 ))
2.900 2.900 3.100 peak 377 spectrum 2 weight 0.11000E+01 volume 0.36719E-03 ppm1 7.309 ppm2 1.920 CV 1
ASSI { 378}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 22 and name HB2 ))
2.300 2.300 3.700 peak 378 spectrum 2 weight 0.11000E+01 volume 0.14103E-02 ppm1 7.306 ppm2 1.660 CV 1
ASSI { 379}
(( segid " " and resid 17 and name HH12))
(( segid " " and resid 31 and name HE2 ))
4.700 2.700 1.300 peak 379 spectrum 2 weight 0.10000E+01 volume 0.25490E-03 ppm1 7.291 ppm2 2.934 CV 1
OR { 379}
(( segid " " and resid 17 and name HH12))
(( segid " " and resid 31 and name HE1 ))
ASSI { 380}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 25 and name HD1 ))
2.400 2.400 3.600 peak 380 spectrum 2 weight 0.11000E+01 volume 0.10279E-02 ppm1 7.306 ppm2 1.736 CV 1
OR { 380}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 25 and name HD2 ))
ASSI { 382}
(( segid " " and resid 31 and name HG1 ))
(( segid " " and resid 31 and name HB2 ))
2.700 0.900 0.900 peak 382 spectrum 2 weight 0.10000E+01 volume 0.40995E-02 ppm1 1.735 ppm2 1.364 CV 1
OR { 382}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HB2 ))
ASSI { 383}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HB2 ))
2.900 1.000 1.000 peak 383 spectrum 2 weight 0.10000E+01 volume 0.32325E-02 ppm1 1.818 ppm2 1.352 CV 1
OR { 383}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HB2 ))
ASSI { 384}
(( segid " " and resid 8 and name HG ))
(( segid " " and resid 9 and name HG1 ))
3.300 3.300 2.700 peak 384 spectrum 2 weight 0.10000E+01 volume 0.24761E-02 ppm1 1.697 ppm2 1.477 CV 1
ASSI { 389}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 21 and name HB2 ))
2.800 1.000 1.000 peak 389 spectrum 2 weight 0.11000E+01 volume 0.11875E-02 ppm1 3.004 ppm2 2.542 CV 1
ASSI { 402}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 11 and name HB2 ))
3.200 1.300 1.300 peak 402 spectrum 2 weight 0.10000E+01 volume 0.11124E-02 ppm1 3.707 ppm2 2.563 CV 1
OR { 402}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 403}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
3.700 1.700 1.700 peak 403 spectrum 2 weight 0.10000E+01 volume 0.89167E-03 ppm1 4.916 ppm2 3.143 CV 1
ASSI { 404}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 12 and name HB1 ))
6.000 4.500 0.000 peak 404 spectrum 2 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.450 ppm2 1.957 CV 1
OR { 404}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 12 and name HB2 ))
Contact the webmaster for help, if required. Friday, May 10, 2024 3:30:05 AM GMT (wattos1)