NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
13187 |
1u86   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.900 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.18551E-02 ppm1 4.702 ppm2 9.888 CV 1
ASSI { 3}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.25184E-02 ppm1 4.157 ppm2 9.891 CV 1
ASSI { 4}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.24212E-02 ppm1 4.081 ppm2 9.887 CV 1
ASSI { 5}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.800 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.26795E-02 ppm1 4.706 ppm2 4.164 CV 1
ASSI { 6}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
2.600 0.800 0.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.40962E-02 ppm1 4.706 ppm2 4.083 CV 1
ASSI { 7}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.41572E-02 ppm1 4.437 ppm2 9.398 CV 1
ASSI { 8}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.000 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.17956E-01 ppm1 2.701 ppm2 9.398 CV 1
OR { 8}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
ASSI { 9}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.300 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.76235E-02 ppm1 4.437 ppm2 2.704 CV 1
OR { 9}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
ASSI { 10}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.49120E-02 ppm1 4.314 ppm2 8.881 CV 1
ASSI { 11}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.100 2.100 3.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.13943E-01 ppm1 4.313 ppm2 2.739 CV 1
ASSI { 12}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
2.200 0.600 0.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.12106E-01 ppm1 4.316 ppm2 2.608 CV 1
ASSI { 13}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.600 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.35316E-02 ppm1 2.610 ppm2 8.880 CV 1
ASSI { 14}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.50514E-02 ppm1 2.739 ppm2 8.880 CV 1
ASSI { 18}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.400 0.700 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.58120E-02 ppm1 4.591 ppm2 3.428 CV 1
ASSI { 19}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
2.600 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.36288E-02 ppm1 4.595 ppm2 2.853 CV 1
ASSI { 20}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
2.000 0.500 0.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.17564E-01 ppm1 3.432 ppm2 2.855 CV 1
ASSI { 21}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
2.400 0.700 0.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.62765E-02 ppm1 2.855 ppm2 8.833 CV 1
ASSI { 22}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
2.300 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.73608E-02 ppm1 3.432 ppm2 8.834 CV 1
ASSI { 23}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.23921E-02 ppm1 4.587 ppm2 8.834 CV 1
ASSI { 27}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.600 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.38393E-02 ppm1 3.649 ppm2 8.708 CV 1
ASSI { 28}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.65101E-02 ppm1 4.898 ppm2 8.542 CV 1
ASSI { 29}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.200 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11175E-01 ppm1 4.897 ppm2 2.926 CV 1
ASSI { 30}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.200 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10940E-01 ppm1 4.896 ppm2 2.682 CV 1
ASSI { 31}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
1.800 0.400 0.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.42066E-01 ppm1 2.927 ppm2 2.682 CV 1
ASSI { 32}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.66480E-02 ppm1 2.928 ppm2 8.542 CV 1
ASSI { 33}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.600 2.600 3.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.43546E-02 ppm1 2.688 ppm2 8.542 CV 1
ASSI { 34}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
2.300 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.87542E-02 ppm1 4.745 ppm2 3.032 CV 1
OR { 34}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 36}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.300 0.600 0.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.92608E-02 ppm1 4.601 ppm2 8.198 CV 1
ASSI { 37}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.300 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.81359E-02 ppm1 3.374 ppm2 8.199 CV 1
ASSI { 39}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HB3 ))
2.000 0.500 0.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.21613E-01 ppm1 3.374 ppm2 2.888 CV 1
ASSI { 40}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
2.500 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.48031E-02 ppm1 4.600 ppm2 2.888 CV 1
ASSI { 41}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.600 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.41920E-02 ppm1 4.602 ppm2 3.374 CV 1
ASSI { 42}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.900 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.20438E-02 ppm1 5.108 ppm2 7.797 CV 1
ASSI { 43}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
3.400 1.400 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.82839E-03 ppm1 3.763 ppm2 7.792 CV 1
ASSI { 44}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
3.300 1.300 1.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.97790E-03 ppm1 3.597 ppm2 7.793 CV 1
ASSI { 45}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.400 0.700 0.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.62895E-02 ppm1 5.105 ppm2 3.771 CV 1
ASSI { 46}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.300 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.74914E-02 ppm1 5.108 ppm2 3.603 CV 1
ASSI { 47}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.67424E-02 ppm1 4.006 ppm2 7.541 CV 1
ASSI { 49}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.400 2.400 3.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.61777E-02 ppm1 1.550 ppm2 7.541 CV 1
ASSI { 50}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.600 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.43430E-02 ppm1 4.005 ppm2 1.668 CV 1
ASSI { 51}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.600 0.800 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.41688E-02 ppm1 4.009 ppm2 1.549 CV 1
ASSI { 52}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB3 ))
2.300 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.84146E-02 ppm1 3.933 ppm2 1.546 CV 1
OR { 52}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
ASSI { 53}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.59789E-02 ppm1 3.935 ppm2 7.511 CV 1
ASSI { 55}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.600 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.39569E-02 ppm1 1.547 ppm2 7.511 CV 1
ASSI { 57}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.48656E-02 ppm1 4.358 ppm2 7.351 CV 1
ASSI { 58}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.48394E-02 ppm1 3.325 ppm2 7.351 CV 1
ASSI { 59}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.600 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 3.172 ppm2 7.351 CV 1
ASSI { 60}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.24952E-02 ppm1 4.360 ppm2 3.328 CV 1
ASSI { 61}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB3 ))
2.600 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.41209E-02 ppm1 4.359 ppm2 3.170 CV 1
ASSI { 62}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.600 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.37508E-02 ppm1 3.978 ppm2 7.315 CV 1
ASSI { 63}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
2.000 0.500 0.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17012E-01 ppm1 1.851 ppm2 7.314 CV 1
ASSI { 64}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HN ))
2.300 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.72533E-02 ppm1 1.666 ppm2 7.315 CV 1
OR { 64}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 65}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.25344E-02 ppm1 1.447 ppm2 7.314 CV 1
OR { 65}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 66}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.000 0.500 0.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.21120E-01 ppm1 3.980 ppm2 1.851 CV 1
OR { 66}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 68}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG3 ))
2.200 0.600 0.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.11567E-01 ppm1 1.846 ppm2 1.444 CV 1
OR { 68}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HG3 ))
OR { 68}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG2 ))
ASSI { 69}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HD2 ))
1.800 0.400 0.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.34097E-01 ppm1 1.848 ppm2 1.663 CV 1
OR { 69}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HD3 ))
OR { 69}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HD3 ))
ASSI { 70}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG3 ))
6.000 4.500 0.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.665 ppm2 1.452 CV 1
OR { 70}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG2 ))
OR { 70}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG3 ))
ASSI { 73}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.25620E-02 ppm1 2.809 ppm2 8.746 CV 1
ASSI { 74}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.800 2.800 3.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.27899E-02 ppm1 3.716 ppm2 8.746 CV 1
ASSI { 76}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
2.000 0.500 0.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.21396E-01 ppm1 2.003 ppm2 8.708 CV 1
ASSI { 77}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB3 ))
2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.95932E-02 ppm1 3.651 ppm2 2.001 CV 1
OR { 77}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 78}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.25779E-02 ppm1 4.497 ppm2 8.639 CV 1
ASSI { 79}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.500 0.800 0.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.46667E-02 ppm1 1.996 ppm2 8.639 CV 1
ASSI { 80}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HN ))
3.200 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.12261E-02 ppm1 2.384 ppm2 8.639 CV 1
ASSI { 81}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HN ))
3.100 3.100 2.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 2.273 ppm2 8.639 CV 1
ASSI { 82}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB3 ))
2.600 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.36143E-02 ppm1 4.498 ppm2 1.992 CV 1
ASSI { 83}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG3 ))
3.000 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.15444E-02 ppm1 4.490 ppm2 2.270 CV 1
ASSI { 84}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG2 ))
3.300 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.86207E-03 ppm1 4.492 ppm2 2.382 CV 1
ASSI { 85}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HG3 ))
1.900 0.500 0.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.24516E-01 ppm1 2.381 ppm2 2.270 CV 1
ASSI { 86}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HB3 ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.24386E-02 ppm1 2.386 ppm2 1.995 CV 1
ASSI { 97}
(( segid " " and resid 4 and name HA1 ))
(( segid " " and resid 4 and name HN ))
2.600 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.41616E-02 ppm1 3.938 ppm2 8.515 CV 1
OR { 97}
(( segid " " and resid 4 and name HA2 ))
(( segid " " and resid 4 and name HN ))
ASSI { 98}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB ))
6.000 4.500 0.300 peak 98 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.411 ppm2 4.287 CV 1
ASSI { 100}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 3 and name HG2%)
3.300 1.400 1.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.91795E-03 ppm1 4.413 ppm2 1.220 CV 1
ASSI { 101}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
2.200 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.10164E-01 ppm1 4.408 ppm2 8.517 CV 1
ASSI { 102}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HN ))
2.500 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.44548E-02 ppm1 4.285 ppm2 8.515 CV 1
ASSI { 103}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HN ))
3.300 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.94960E-03 ppm1 1.227 ppm2 8.515 CV 1
ASSI { 110}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.21134E-02 ppm1 4.486 ppm2 1.520 CV 1
ASSI { 111}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD3 ))
3.400 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.84770E-03 ppm1 4.487 ppm2 1.617 CV 1
OR { 111}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 112}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
2.600 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.37943E-02 ppm1 4.483 ppm2 8.470 CV 1
ASSI { 113}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HN ))
3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.13010E-02 ppm1 1.620 ppm2 8.468 CV 1
OR { 113}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HN ))
ASSI { 114}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.33226E-02 ppm1 1.513 ppm2 8.470 CV 1
ASSI { 115}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HN ))
3.900 1.900 1.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.35403E-03 ppm1 1.343 ppm2 8.469 CV 1
ASSI { 116}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.23065E-02 ppm1 4.488 ppm2 1.342 CV 1
ASSI { 117}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.600 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.40687E-02 ppm1 4.172 ppm2 8.462 CV 1
ASSI { 118}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.300 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.77222E-02 ppm1 2.888 ppm2 8.198 CV 1
ASSI { 119}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.300 0.700 0.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.72838E-02 ppm1 3.040 ppm2 8.197 CV 1
ASSI { 120}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.33487E-02 ppm1 4.746 ppm2 8.198 CV 1
ASSI { 121}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
3.000 1.200 1.200 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15183E-02 ppm1 4.667 ppm2 8.199 CV 1
ASSI { 131}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB ))
2.400 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.57945E-02 ppm1 4.033 ppm2 1.772 CV 1
ASSI { 132}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG13))
3.200 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.12180E-02 ppm1 4.034 ppm2 1.134 CV 1
ASSI { 133}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HG2%)
2.200 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.10675E-01 ppm1 4.033 ppm2 0.859 CV 1
ASSI { 134}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HG13))
6.000 4.500 0.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.774 ppm2 1.134 CV 1
ASSI { 135}
(( segid " " and resid 5 and name HB ))
( segid " " and resid 5 and name HG2%)
6.000 4.500 0.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.772 ppm2 0.859 CV 1
ASSI { 136}
(( segid " " and resid 5 and name HG13))
( segid " " and resid 5 and name HG2%)
6.000 4.500 0.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.139 ppm2 0.857 CV 1
ASSI { 137}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.24299E-02 ppm1 4.034 ppm2 8.101 CV 1
ASSI { 138}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HN ))
2.300 0.600 0.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.92710E-02 ppm1 1.772 ppm2 8.101 CV 1
ASSI { 139}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 5 and name HN ))
2.900 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.22600E-02 ppm1 1.134 ppm2 8.102 CV 1
ASSI { 140}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HN ))
3.100 1.200 1.200 peak 140 spectrum 1 weight 0.10000E+01 volume 0.12663E-02 ppm1 0.860 ppm2 8.102 CV 1
ASSI { 141}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HD3 ))
1.800 0.400 0.400 peak 141 spectrum 1 weight 0.10000E+01 volume 0.35374E-01 ppm1 3.146 ppm2 2.637 CV 1
ASSI { 142}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HG2 ))
2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.45709E-02 ppm1 2.638 ppm2 1.580 CV 1
ASSI { 143}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HG2 ))
2.200 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.10230E-01 ppm1 3.155 ppm2 1.576 CV 1
ASSI { 144}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HG3 ))
2.700 0.900 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.29916E-02 ppm1 2.636 ppm2 1.408 CV 1
ASSI { 145}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HG3 ))
2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10589E-01 ppm1 3.140 ppm2 1.406 CV 1
ASSI { 146}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HE ))
3.300 1.400 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.94394E-03 ppm1 1.091 ppm2 8.086 CV 1
ASSI { 147}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HE ))
2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.47930E-02 ppm1 2.635 ppm2 8.088 CV 1
ASSI { 148}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HE ))
2.600 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.38059E-02 ppm1 3.144 ppm2 8.087 CV 1
ASSI { 149}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HE ))
3.000 1.100 1.100 peak 149 spectrum 1 weight 0.10000E+01 volume 0.18072E-02 ppm1 1.580 ppm2 8.086 CV 1
ASSI { 150}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HE ))
3.600 1.600 1.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.55710E-03 ppm1 1.403 ppm2 8.087 CV 1
ASSI { 157}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.400 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.62474E-02 ppm1 4.014 ppm2 7.965 CV 1
ASSI { 158}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HB% )
2.500 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.51413E-02 ppm1 4.015 ppm2 1.444 CV 1
ASSI { 160}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 26 and name HN ))
2.300 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.93247E-02 ppm1 1.443 ppm2 7.965 CV 1
ASSI { 161}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.100 2.100 3.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14049E-01 ppm1 4.412 ppm2 7.856 CV 1
ASSI { 162}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
2.300 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.81780E-02 ppm1 4.413 ppm2 1.701 CV 1
OR { 162}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 163}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG ))
2.600 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.41224E-02 ppm1 4.415 ppm2 1.627 CV 1
ASSI { 164}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD1%)
3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.14951E-02 ppm1 4.412 ppm2 0.917 CV 1
OR { 164}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD2%)
ASSI { 165}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HD1%)
6.000 4.500 0.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.703 ppm2 0.917 CV 1
OR { 165}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD2%)
ASSI { 166}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD1%)
6.000 4.500 0.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.624 ppm2 0.917 CV 1
OR { 166}
(( segid " " and resid 34 and name HG ))
( segid " " and resid 34 and name HD2%)
ASSI { 167}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HN ))
2.900 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 0.915 ppm2 7.856 CV 1
OR { 167}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HN ))
ASSI { 168}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.17128E-02 ppm1 1.627 ppm2 7.855 CV 1
ASSI { 169}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.400 0.700 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.61415E-02 ppm1 1.699 ppm2 7.856 CV 1
OR { 169}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
ASSI { 171}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB ))
3.100 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.14515E-02 ppm1 4.056 ppm2 2.105 CV 1
ASSI { 172}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HG2%)
3.400 1.400 1.400 peak 172 spectrum 1 weight 0.10000E+01 volume 0.80502E-03 ppm1 4.059 ppm2 0.924 CV 1
ASSI { 173}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG2%)
6.000 4.500 0.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.105 ppm2 0.924 CV 1
ASSI { 174}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.20844E-02 ppm1 4.060 ppm2 7.681 CV 1
ASSI { 175}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.20031E-02 ppm1 2.102 ppm2 7.682 CV 1
ASSI { 182}
(( segid " " and resid 30 and name HE2 ))
( segid " " and resid 30 and name HZ% )
3.500 3.500 2.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.64768E-03 ppm1 2.943 ppm2 7.630 CV 1
OR { 182}
(( segid " " and resid 30 and name HE3 ))
( segid " " and resid 30 and name HZ% )
ASSI { 183}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD3 ))
3.000 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 3.982 ppm2 1.662 CV 1
OR { 183}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD2 ))
ASSI { 184}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG2 ))
2.900 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.20626E-02 ppm1 3.982 ppm2 1.446 CV 1
ASSI { 186}
(( segid " " and resid 30 and name HE2 ))
(( segid " " and resid 30 and name HD2 ))
2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.10882E-01 ppm1 2.948 ppm2 1.673 CV 1
OR { 186}
(( segid " " and resid 30 and name HE3 ))
(( segid " " and resid 30 and name HD3 ))
OR { 186}
(( segid " " and resid 30 and name HE2 ))
(( segid " " and resid 30 and name HD3 ))
ASSI { 187}
(( segid " " and resid 30 and name HE3 ))
(( segid " " and resid 30 and name HG2 ))
2.400 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.65537E-02 ppm1 2.950 ppm2 1.454 CV 1
OR { 187}
(( segid " " and resid 30 and name HE2 ))
(( segid " " and resid 30 and name HG3 ))
OR { 187}
(( segid " " and resid 30 and name HE3 ))
(( segid " " and resid 30 and name HG3 ))
ASSI { 188}
(( segid " " and resid 30 and name HE3 ))
(( segid " " and resid 30 and name HB3 ))
3.500 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.60965E-03 ppm1 2.955 ppm2 1.860 CV 1
OR { 188}
(( segid " " and resid 30 and name HE2 ))
(( segid " " and resid 30 and name HB3 ))
OR { 188}
(( segid " " and resid 30 and name HE3 ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 189}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HE3 ))
3.800 1.800 1.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.41209E-03 ppm1 3.976 ppm2 2.949 CV 1
OR { 189}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HE2 ))
ASSI { 194}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.24662E-02 ppm1 4.617 ppm2 7.483 CV 1
ASSI { 195}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
2.500 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.49570E-02 ppm1 4.613 ppm2 1.093 CV 1
ASSI { 197}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
2.300 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.82041E-02 ppm1 2.018 ppm2 1.093 CV 1
ASSI { 199}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HG3 ))
6.000 4.500 0.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.574 ppm2 1.402 CV 1
ASSI { 200}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG3 ))
6.000 4.500 0.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.020 ppm2 1.402 CV 1
ASSI { 201}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG2 ))
6.000 4.500 0.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.015 ppm2 1.573 CV 1
ASSI { 202}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 25 and name HD2%)
2.400 0.700 0.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.70632E-02 ppm1 3.145 ppm2 1.094 CV 1
ASSI { 203}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HB3 ))
3.100 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 2.638 ppm2 1.092 CV 1
ASSI { 204}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HB2 ))
2.500 2.500 3.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.55289E-02 ppm1 3.146 ppm2 2.024 CV 1
ASSI { 205}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HB2 ))
6.000 4.500 0.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.643 ppm2 2.026 CV 1
ASSI { 206}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB3 ))
6.000 4.500 0.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.407 ppm2 1.093 CV 1
ASSI { 207}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HB3 ))
2.600 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.38625E-02 ppm1 1.574 ppm2 1.090 CV 1
ASSI { 208}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG3 ))
3.000 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.18202E-02 ppm1 4.615 ppm2 1.402 CV 1
ASSI { 209}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.23210E-02 ppm1 4.610 ppm2 1.573 CV 1
ASSI { 210}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
2.500 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.51022E-02 ppm1 4.615 ppm2 2.016 CV 1
ASSI { 211}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HD3 ))
6.000 4.500 0.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.613 ppm2 2.636 CV 1
ASSI { 212}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HD2 ))
2.700 2.700 3.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.34169E-02 ppm1 4.617 ppm2 3.145 CV 1
ASSI { 213}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.400 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.80706E-03 ppm1 2.023 ppm2 7.483 CV 1
ASSI { 214}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.14272E-02 ppm1 1.404 ppm2 7.483 CV 1
ASSI { 215}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HN ))
3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 1.574 ppm2 7.483 CV 1
ASSI { 216}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HE ))
2.500 2.500 3.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.51283E-02 ppm1 2.029 ppm2 8.087 CV 1
ASSI { 217}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB3 ))
3.400 1.400 1.400 peak 217 spectrum 1 weight 0.10000E+01 volume 0.81562E-03 ppm1 4.407 ppm2 1.991 CV 1
OR { 217}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB2 ))
ASSI { 218}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HG3 ))
2.800 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.27884E-02 ppm1 4.407 ppm2 2.224 CV 1
ASSI { 219}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HG2 ))
2.700 0.900 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.29800E-02 ppm1 4.407 ppm2 2.592 CV 1
ASSI { 220}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HG3 ))
2.200 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.12117E-01 ppm1 2.592 ppm2 2.222 CV 1
ASSI { 221}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HB3 ))
2.400 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.63635E-02 ppm1 2.596 ppm2 1.992 CV 1
OR { 221}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HB2 ))
ASSI { 222}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 33 and name HB2 ))
6.000 4.500 0.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.228 ppm2 2.000 CV 1
OR { 222}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 33 and name HB3 ))
ASSI { 223}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.10506E-01 ppm1 1.993 ppm2 7.298 CV 1
OR { 223}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
ASSI { 224}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 33 and name HN ))
2.600 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.37377E-02 ppm1 2.225 ppm2 7.298 CV 1
ASSI { 225}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.66858E-02 ppm1 2.590 ppm2 7.299 CV 1
ASSI { 226}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.66205E-02 ppm1 4.402 ppm2 7.297 CV 1
ASSI { 241}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB2 ))
2.300 0.700 0.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.84204E-02 ppm1 3.384 ppm2 1.971 CV 1
ASSI { 242}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.500 0.800 0.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.48017E-02 ppm1 3.386 ppm2 7.111 CV 1
ASSI { 243}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.300 2.300 3.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.79602E-02 ppm1 1.970 ppm2 7.111 CV 1
ASSI { 252}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.300 0.600 0.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.91723E-02 ppm1 3.944 ppm2 6.966 CV 1
ASSI { 255}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.50775E-02 ppm1 0.589 ppm2 6.965 CV 1
ASSI { 260}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.600 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.36840E-02 ppm1 4.113 ppm2 7.436 CV 1
ASSI { 261}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.200 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10138E-01 ppm1 3.089 ppm2 7.436 CV 1
ASSI { 262}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.600 0.900 0.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.36230E-02 ppm1 2.880 ppm2 7.436 CV 1
ASSI { 263}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HB3 ))
2.000 0.500 0.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.20859E-01 ppm1 3.089 ppm2 2.879 CV 1
ASSI { 265}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.53155E-02 ppm1 4.112 ppm2 3.089 CV 1
ASSI { 274}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD2 ))
3.300 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.94002E-03 ppm1 4.211 ppm2 3.719 CV 1
ASSI { 275}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD3 ))
3.300 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.99227E-03 ppm1 4.209 ppm2 3.646 CV 1
ASSI { 276}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.200 0.600 0.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10821E-01 ppm1 4.212 ppm2 2.013 CV 1
ASSI { 277}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG2 ))
3.000 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.17723E-02 ppm1 4.215 ppm2 1.867 CV 1
ASSI { 278}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG3 ))
3.000 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.18159E-02 ppm1 4.204 ppm2 1.798 CV 1
ASSI { 279}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG3 ))
2.500 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.44983E-02 ppm1 3.730 ppm2 1.798 CV 1
ASSI { 281}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HG2 ))
2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.31760E-02 ppm1 3.655 ppm2 1.873 CV 1
ASSI { 282}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG2 ))
2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 3.729 ppm2 1.873 CV 1
ASSI { 283}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
2.400 0.700 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.69035E-02 ppm1 4.208 ppm2 1.280 CV 1
ASSI { 284}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HB3 ))
2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.29902E-02 ppm1 3.727 ppm2 1.275 CV 1
ASSI { 285}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 6 and name HB3 ))
2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.31266E-02 ppm1 3.653 ppm2 1.274 CV 1
ASSI { 286}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB3 ))
1.900 0.500 0.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.25808E-01 ppm1 2.016 ppm2 1.279 CV 1
ASSI { 287}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HB3 ))
6.000 4.500 0.300 peak 287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.868 ppm2 1.283 CV 1
ASSI { 288}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 7 and name HB3 ))
6.000 4.500 0.300 peak 288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.802 ppm2 1.281 CV 1
ASSI { 291}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HB3 ))
6.000 4.500 0.300 peak 291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.159 ppm2 4.082 CV 1
ASSI { 292}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.500 0.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.736 ppm2 2.608 CV 1
ASSI { 293}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HB3 ))
6.000 4.500 0.300 peak 293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.271 ppm2 1.995 CV 1
ASSI { 294}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB3 ))
6.000 4.500 0.300 peak 294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.763 ppm2 3.598 CV 1
ASSI { 295}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HG1%)
3.700 1.700 1.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.49976E-03 ppm1 4.060 ppm2 0.909 CV 1
ASSI { 296}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG1%)
6.000 4.500 0.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.106 ppm2 0.909 CV 1
ASSI { 297}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HN ))
3.100 1.200 1.200 peak 297 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 0.910 ppm2 7.681 CV 1
ASSI { 298}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HB3 ))
6.000 4.500 0.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.327 ppm2 3.170 CV 1
ASSI { 299}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 12 and name HE1 ))
2.100 0.600 0.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.13803E-01 ppm1 6.958 ppm2 10.071 CV 1
ASSI { 301}
(( segid " " and resid 19 and name HZ ))
( segid " " and resid 19 and name HE% )
2.100 0.500 0.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.14820E-01 ppm1 6.344 ppm2 6.932 CV 1
ASSI { 302}
(( segid " " and resid 19 and name HZ ))
( segid " " and resid 19 and name HD% )
3.000 1.100 1.100 peak 302 spectrum 1 weight 0.10000E+01 volume 0.17070E-02 ppm1 6.346 ppm2 7.435 CV 1
ASSI { 303}
( segid " " and resid 19 and name HE% )
( segid " " and resid 19 and name HD% )
2.000 0.500 0.500 peak 303 spectrum 1 weight 0.10000E+01 volume 0.19465E-01 ppm1 6.931 ppm2 7.433 CV 1
ASSI { 304}
(( segid " " and resid 12 and name HZ3 ))
(( segid " " and resid 12 and name HZ2 ))
2.700 2.700 3.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.34285E-02 ppm1 7.086 ppm2 7.497 CV 1
ASSI { 305}
(( segid " " and resid 12 and name HH2 ))
(( segid " " and resid 12 and name HZ2 ))
2.100 0.500 0.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.16083E-01 ppm1 7.161 ppm2 7.497 CV 1
ASSI { 306}
(( segid " " and resid 12 and name HZ3 ))
(( segid " " and resid 12 and name HE3 ))
2.000 0.500 0.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.19712E-01 ppm1 7.086 ppm2 7.401 CV 1
ASSI { 307}
(( segid " " and resid 12 and name HH2 ))
(( segid " " and resid 12 and name HE3 ))
2.200 2.200 3.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.11522E-01 ppm1 7.160 ppm2 7.401 CV 1
ASSI { 308}
(( segid " " and resid 12 and name HZ2 ))
(( segid " " and resid 12 and name HE1 ))
2.300 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.72345E-02 ppm1 7.495 ppm2 10.071 CV 1
ASSI { 309}
(( segid " " and resid 12 and name HH2 ))
(( segid " " and resid 12 and name HE1 ))
3.400 3.400 2.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.78049E-03 ppm1 7.162 ppm2 10.071 CV 1
ASSI { 310}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.12592E-02 ppm1 6.956 ppm2 7.497 CV 1
ASSI { 311}
(( segid " " and resid 12 and name HZ3 ))
(( segid " " and resid 12 and name HH2 ))
1.900 1.900 4.100 peak 311 spectrum 1 weight 0.10000E+01 volume 0.27870E-01 ppm1 7.084 ppm2 7.162 CV 1
ASSI { 331}
(( segid " " and resid 5 and name HG12))
( segid " " and resid 5 and name HG2%)
6.000 4.500 0.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.430 ppm2 0.854 CV 1
ASSI { 332}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 5 and name HG13))
6.000 4.500 0.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.435 ppm2 1.136 CV 1
ASSI { 333}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HG12))
6.000 4.500 0.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.778 ppm2 1.434 CV 1
ASSI { 334}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 5 and name HN ))
3.200 1.300 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 1.429 ppm2 8.102 CV 1
ASSI { 335}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HN ))
3.800 1.800 1.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.39192E-03 ppm1 2.934 ppm2 8.469 CV 1
OR { 335}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HN ))
ASSI { 336}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
3.500 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.62373E-03 ppm1 1.273 ppm2 8.470 CV 1
ASSI { 337}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HA ))
6.000 4.500 0.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.487 ppm2 4.037 CV 1
ASSI { 338}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HE3 ))
3.900 1.900 1.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.33516E-03 ppm1 4.481 ppm2 2.930 CV 1
OR { 338}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HE2 ))
ASSI { 339}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.33545E-02 ppm1 4.482 ppm2 1.275 CV 1
ASSI { 340}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HD2 ))
2.500 0.800 0.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.44707E-02 ppm1 2.935 ppm2 1.615 CV 1
OR { 340}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HD3 ))
OR { 340}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HD3 ))
ASSI { 341}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HB2 ))
3.300 1.400 1.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.86047E-03 ppm1 2.937 ppm2 1.521 CV 1
OR { 341}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 342}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HG3 ))
2.700 0.900 0.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.34822E-02 ppm1 2.933 ppm2 1.345 CV 1
OR { 342}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HG3 ))
OR { 342}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 343}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HB3 ))
2.800 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.27710E-02 ppm1 2.937 ppm2 1.275 CV 1
OR { 343}
(( segid " " and resid 6 and name HE2 ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 344}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB3 ))
6.000 4.500 0.300 peak 344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.618 ppm2 1.271 CV 1
OR { 344}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 345}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HB3 ))
6.000 4.500 0.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 1.275 CV 1
ASSI { 346}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.300 peak 346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.614 ppm2 1.345 CV 1
OR { 346}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG3 ))
OR { 346}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 347}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.522 ppm2 1.346 CV 1
OR { 347}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 348}
(( segid " " and resid 4 and name HA1 ))
(( segid " " and resid 5 and name HN ))
2.300 0.600 0.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.87934E-02 ppm1 3.940 ppm2 8.102 CV 1
OR { 348}
(( segid " " and resid 4 and name HA2 ))
(( segid " " and resid 5 and name HN ))
ASSI { 349}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
2.800 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.27855E-02 ppm1 8.104 ppm2 8.517 CV 1
ASSI { 350}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.000 0.500 0.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.17099E-01 ppm1 4.036 ppm2 8.469 CV 1
ASSI { 352}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
2.900 2.900 3.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.22092E-02 ppm1 8.102 ppm2 8.469 CV 1
ASSI { 353}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 6 and name HN ))
2.800 1.000 1.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.26491E-02 ppm1 0.865 ppm2 8.468 CV 1
ASSI { 356}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG12))
3.000 1.100 1.100 peak 356 spectrum 1 weight 0.10000E+01 volume 0.17128E-02 ppm1 4.035 ppm2 1.425 CV 1
ASSI { 357}
(( segid " " and resid 5 and name HG13))
( segid " " and resid 5 and name HD1%)
2.000 0.500 0.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.17012E-01 ppm1 1.145 ppm2 0.830 CV 1
ASSI { 358}
(( segid " " and resid 5 and name HG12))
( segid " " and resid 5 and name HD1%)
2.300 0.700 0.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.83057E-02 ppm1 1.432 ppm2 0.829 CV 1
ASSI { 359}
(( segid " " and resid 5 and name HB ))
( segid " " and resid 5 and name HD1%)
2.800 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.27478E-02 ppm1 1.776 ppm2 0.829 CV 1
ASSI { 360}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HD1%)
3.100 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.12438E-02 ppm1 4.035 ppm2 0.826 CV 1
ASSI { 361}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HN ))
3.300 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.92478E-03 ppm1 0.832 ppm2 8.104 CV 1
ASSI { 362}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 6 and name HN ))
3.800 1.800 1.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.43619E-03 ppm1 1.143 ppm2 8.470 CV 1
ASSI { 363}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HN ))
3.600 1.600 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.57583E-03 ppm1 0.828 ppm2 8.469 CV 1
ASSI { 364}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 8 and name HD% )
3.300 1.400 1.400 peak 364 spectrum 1 weight 0.10000E+01 volume 0.88312E-03 ppm1 4.215 ppm2 7.190 CV 1
ASSI { 365}
( segid " " and resid 8 and name HD% )
( segid " " and resid 8 and name HE% )
2.100 0.500 0.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.15619E-01 ppm1 7.185 ppm2 7.411 CV 1
ASSI { 366}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD% )
2.200 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.10595E-01 ppm1 4.750 ppm2 7.185 CV 1
ASSI { 367}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HE% )
3.400 1.500 1.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.73666E-03 ppm1 4.752 ppm2 7.411 CV 1
ASSI { 368}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HD% )
2.100 0.500 0.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.16301E-01 ppm1 3.039 ppm2 7.185 CV 1
OR { 368}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HD% )
ASSI { 369}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HE% )
2.800 2.800 3.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.25852E-02 ppm1 3.039 ppm2 7.411 CV 1
OR { 369}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HE% )
ASSI { 376}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.300 2.300 3.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.91142E-02 ppm1 4.215 ppm2 8.199 CV 1
ASSI { 377}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.53736E-02 ppm1 7.187 ppm2 8.198 CV 1
ASSI { 378}
( segid " " and resid 8 and name HE% )
(( segid " " and resid 8 and name HN ))
3.200 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.11389E-02 ppm1 7.412 ppm2 8.198 CV 1
ASSI { 392}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 32 and name HE1 ))
3.800 1.800 1.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.40629E-03 ppm1 6.120 ppm2 7.890 CV 1
ASSI { 393}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 32 and name HN ))
3.700 1.700 1.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.45390E-03 ppm1 6.120 ppm2 6.966 CV 1
ASSI { 394}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 32 and name HE1 ))
2.700 0.900 0.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.29219E-02 ppm1 6.962 ppm2 7.892 CV 1
ASSI { 395}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HD2 ))
3.400 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.73404E-03 ppm1 3.945 ppm2 6.118 CV 1
ASSI { 396}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HE1 ))
3.400 1.400 1.400 peak 396 spectrum 1 weight 0.10000E+01 volume 0.85379E-03 ppm1 3.948 ppm2 7.893 CV 1
ASSI { 398}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HD2 ))
2.900 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 2.090 ppm2 6.119 CV 1
ASSI { 400}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HD2 ))
2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.25097E-02 ppm1 0.588 ppm2 6.116 CV 1
ASSI { 403}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HD2 ))
2.300 0.700 0.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.74391E-02 ppm1 4.363 ppm2 6.924 CV 1
ASSI { 404}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD2 ))
3.200 1.300 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.11766E-02 ppm1 3.329 ppm2 6.925 CV 1
ASSI { 406}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 406 spectrum 1 weight 0.10000E+01 volume 0.17723E-02 ppm1 6.933 ppm2 7.353 CV 1
ASSI { 408}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HD2 ))
3.500 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.70951E-03 ppm1 4.122 ppm2 7.196 CV 1
ASSI { 409}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HD2 ))
2.200 2.200 3.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.12014E-01 ppm1 3.095 ppm2 7.197 CV 1
ASSI { 410}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HD2 ))
2.700 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.33298E-02 ppm1 2.878 ppm2 7.197 CV 1
ASSI { 411}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HN ))
3.200 3.200 2.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.12189E-02 ppm1 7.194 ppm2 7.437 CV 1
ASSI { 412}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HE1 ))
3.800 1.800 1.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.41993E-03 ppm1 2.881 ppm2 7.826 CV 1
ASSI { 413}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HE1 ))
3.600 1.600 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.57423E-03 ppm1 3.093 ppm2 7.826 CV 1
ASSI { 415}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HE1 ))
3.000 1.100 1.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.16635E-02 ppm1 7.203 ppm2 7.824 CV 1
ASSI { 416}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.400 1.400 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.85946E-03 ppm1 1.550 ppm2 8.464 CV 1
ASSI { 417}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 6 and name HN ))
2.800 2.800 3.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.23138E-02 ppm1 1.774 ppm2 8.463 CV 1
ASSI { 418}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HN ))
3.400 1.400 1.400 peak 418 spectrum 1 weight 0.10000E+01 volume 0.81257E-03 ppm1 1.296 ppm2 8.464 CV 1
ASSI { 419}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.16867E-02 ppm1 3.145 ppm2 8.463 CV 1
ASSI { 420}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD2 ))
2.200 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.10239E-01 ppm1 4.491 ppm2 3.721 CV 1
ASSI { 421}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HD3 ))
2.300 0.700 0.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.77585E-02 ppm1 4.492 ppm2 3.647 CV 1
ASSI { 425}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HE ))
3.100 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.13463E-02 ppm1 1.298 ppm2 7.229 CV 1
ASSI { 426}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HE ))
2.900 1.000 1.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21541E-02 ppm1 1.557 ppm2 7.232 CV 1
OR { 426}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HE ))
ASSI { 427}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HE ))
2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.21744E-02 ppm1 1.775 ppm2 7.232 CV 1
ASSI { 428}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HE ))
2.500 0.800 0.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.48844E-02 ppm1 3.146 ppm2 7.229 CV 1
OR { 428}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HE ))
ASSI { 429}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HE ))
3.000 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.15386E-02 ppm1 4.183 ppm2 7.231 CV 1
ASSI { 430}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 25 and name HD2%)
6.000 4.500 0.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.433 ppm2 1.098 CV 1
ASSI { 431}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 25 and name HD1%)
6.000 4.500 0.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.429 ppm2 1.175 CV 1
ASSI { 432}
(( segid " " and resid 25 and name HG ))
( segid " " and resid 25 and name HD2%)
2.100 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.13019E-01 ppm1 1.663 ppm2 1.094 CV 1
ASSI { 433}
(( segid " " and resid 25 and name HG ))
( segid " " and resid 25 and name HD1%)
2.200 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11464E-01 ppm1 1.668 ppm2 1.175 CV 1
ASSI { 434}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 25 and name HD2%)
2.400 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.59992E-02 ppm1 1.971 ppm2 1.092 CV 1
ASSI { 435}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 25 and name HD1%)
2.200 0.600 0.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.97703E-02 ppm1 1.976 ppm2 1.175 CV 1
ASSI { 436}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HB3 ))
6.000 4.500 0.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.971 ppm2 1.432 CV 1
ASSI { 437}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG3 ))
6.000 4.500 0.300 peak 437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.668 ppm2 1.432 CV 1
OR { 437}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG2 ))
OR { 437}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG3 ))
ASSI { 438}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG ))
2.100 2.100 3.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.13887E-01 ppm1 1.976 ppm2 1.663 CV 1
ASSI { 439}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HD2%)
2.500 2.500 3.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.46435E-02 ppm1 3.389 ppm2 1.092 CV 1
ASSI { 440}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HD1%)
2.100 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.13369E-01 ppm1 3.389 ppm2 1.177 CV 1
ASSI { 441}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.53721E-02 ppm1 3.394 ppm2 1.434 CV 1
ASSI { 442}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG ))
2.600 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.37305E-02 ppm1 3.389 ppm2 1.663 CV 1
ASSI { 443}
( segid " " and resid 25 and name HD1%)
( segid " " and resid 25 and name HD2%)
6.000 4.500 0.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.182 ppm2 1.094 CV 1
ASSI { 444}
(( segid " " and resid 25 and name HG ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.17506E-02 ppm1 1.663 ppm2 7.110 CV 1
ASSI { 445}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.300 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.72446E-02 ppm1 1.433 ppm2 7.112 CV 1
ASSI { 446}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 1.178 ppm2 7.112 CV 1
ASSI { 447}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 1.099 ppm2 7.110 CV 1
ASSI { 448}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 27 and name HN ))
2.700 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.33458E-02 ppm1 0.858 ppm2 7.544 CV 1
ASSI { 450}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HN ))
2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.26360E-02 ppm1 1.490 ppm2 7.514 CV 1
ASSI { 451}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.17897E-02 ppm1 1.617 ppm2 7.514 CV 1
ASSI { 452}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.600 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.42777E-02 ppm1 2.083 ppm2 8.642 CV 1
ASSI { 453}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.275 ppm2 2.081 CV 1
ASSI { 454}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.300 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.386 ppm2 2.080 CV 1
ASSI { 455}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HB3 ))
6.000 4.500 0.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.083 ppm2 1.997 CV 1
ASSI { 456}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HE21))
2.800 1.000 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.26128E-02 ppm1 2.277 ppm2 7.716 CV 1
ASSI { 457}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HE21))
3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.16765E-02 ppm1 2.387 ppm2 7.716 CV 1
ASSI { 458}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HE22))
3.400 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.82128E-03 ppm1 2.282 ppm2 6.738 CV 1
ASSI { 459}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HE22))
3.500 1.500 1.500 peak 459 spectrum 1 weight 0.10000E+01 volume 0.70864E-03 ppm1 2.389 ppm2 6.738 CV 1
ASSI { 460}
(( segid " " and resid 9 and name HE22))
(( segid " " and resid 9 and name HE21))
1.800 0.400 0.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.42022E-01 ppm1 6.744 ppm2 7.716 CV 1
ASSI { 461}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 12 and name HE1 ))
3.700 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.44272E-03 ppm1 0.586 ppm2 10.071 CV 1
ASSI { 462}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 12 and name HE1 ))
4.200 2.200 2.100 peak 462 spectrum 1 weight 0.10000E+01 volume 0.22513E-03 ppm1 1.554 ppm2 10.072 CV 1
ASSI { 463}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 12 and name HE1 ))
3.700 1.700 1.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.49614E-03 ppm1 1.624 ppm2 10.070 CV 1
ASSI { 465}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HE1 ))
3.700 1.800 1.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.43822E-03 ppm1 2.705 ppm2 10.071 CV 1
OR { 465}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HE1 ))
ASSI { 468}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 20 and name HN ))
3.300 1.400 1.400 peak 468 spectrum 1 weight 0.10000E+01 volume 0.86396E-03 ppm1 1.593 ppm2 9.895 CV 1
ASSI { 470}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.800 2.800 3.200 peak 470 spectrum 1 weight 0.10000E+01 volume 0.25968E-02 ppm1 3.711 ppm2 9.888 CV 1
ASSI { 471}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 12 and name HN ))
3.300 1.300 1.300 peak 471 spectrum 1 weight 0.10000E+01 volume 0.99387E-03 ppm1 1.321 ppm2 9.401 CV 1
ASSI { 473}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.900 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.19901E-02 ppm1 2.886 ppm2 9.402 CV 1
ASSI { 474}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 12 and name HN ))
3.700 3.700 2.300 peak 474 spectrum 1 weight 0.10000E+01 volume 0.50746E-03 ppm1 3.158 ppm2 9.400 CV 1
OR { 474}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 12 and name HN ))
ASSI { 475}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HN ))
3.300 3.300 2.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 3.386 ppm2 9.400 CV 1
ASSI { 476}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.16257E-02 ppm1 4.596 ppm2 9.401 CV 1
ASSI { 477}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.26563E-02 ppm1 4.673 ppm2 9.400 CV 1
ASSI { 478}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.99677E-02 ppm1 5.107 ppm2 8.745 CV 1
ASSI { 479}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 10 and name HN ))
2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.45869E-02 ppm1 5.107 ppm2 8.836 CV 1
ASSI { 480}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.26752E-02 ppm1 4.610 ppm2 8.878 CV 1
ASSI { 481}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.100 0.600 0.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.13273E-01 ppm1 4.495 ppm2 8.836 CV 1
ASSI { 484}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 19 and name HN ))
2.900 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18609E-02 ppm1 4.500 ppm2 8.746 CV 1
ASSI { 485}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 485 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 4.754 ppm2 8.744 CV 1
ASSI { 486}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.000 2.000 4.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.18623E-01 ppm1 4.756 ppm2 8.639 CV 1
ASSI { 487}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.100 0.600 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13867E-01 ppm1 4.617 ppm2 8.628 CV 1
ASSI { 489}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
3.200 1.300 1.300 peak 489 spectrum 1 weight 0.10000E+01 volume 0.11450E-02 ppm1 4.124 ppm2 8.710 CV 1
ASSI { 490}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 29 and name HN ))
2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.33995E-02 ppm1 4.012 ppm2 8.708 CV 1
ASSI { 493}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.100 2.100 3.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.15357E-01 ppm1 4.619 ppm2 8.543 CV 1
ASSI { 497}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.100 3.100 2.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 3.769 ppm2 8.834 CV 1
ASSI { 498}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.000 3.000 3.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.15662E-02 ppm1 3.605 ppm2 8.835 CV 1
ASSI { 501}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.37363E-02 ppm1 3.142 ppm2 8.880 CV 1
ASSI { 503}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
2.900 1.100 1.100 peak 503 spectrum 1 weight 0.10000E+01 volume 0.19741E-02 ppm1 2.888 ppm2 8.709 CV 1
ASSI { 504}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.100 1.200 1.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.14544E-02 ppm1 3.043 ppm2 8.747 CV 1
OR { 504}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 19 and name HN ))
ASSI { 505}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
2.600 2.600 3.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.35635E-02 ppm1 3.095 ppm2 8.710 CV 1
ASSI { 508}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.27245E-02 ppm1 3.612 ppm2 8.744 CV 1
ASSI { 512}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.900 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.20742E-02 ppm1 3.380 ppm2 8.543 CV 1
ASSI { 513}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.14166E-02 ppm1 3.424 ppm2 8.463 CV 1
ASSI { 514}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.400 1.500 1.500 peak 514 spectrum 1 weight 0.10000E+01 volume 0.72461E-03 ppm1 2.683 ppm2 8.466 CV 1
ASSI { 515}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.700 2.700 3.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.29161E-02 ppm1 3.039 ppm2 8.638 CV 1
OR { 515}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
ASSI { 516}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 22 and name HN ))
4.100 2.100 2.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.27376E-03 ppm1 2.737 ppm2 8.628 CV 1
ASSI { 517}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 6 and name HN ))
3.000 1.100 1.100 peak 517 spectrum 1 weight 0.10000E+01 volume 0.16664E-02 ppm1 3.605 ppm2 8.471 CV 1
ASSI { 518}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 6 and name HN ))
3.100 1.200 1.200 peak 518 spectrum 1 weight 0.10000E+01 volume 0.14632E-02 ppm1 3.760 ppm2 8.470 CV 1
ASSI { 519}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 519 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 2.877 ppm2 8.463 CV 1
ASSI { 520}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.12014E-02 ppm1 2.389 ppm2 8.835 CV 1
ASSI { 521}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.10393E-02 ppm1 2.276 ppm2 8.836 CV 1
ASSI { 522}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 522 spectrum 1 weight 0.10000E+01 volume 0.14922E-02 ppm1 2.087 ppm2 8.835 CV 1
ASSI { 523}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 1.998 ppm2 8.835 CV 1
ASSI { 524}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.000 1.100 1.100 peak 524 spectrum 1 weight 0.10000E+01 volume 0.17738E-02 ppm1 2.036 ppm2 8.880 CV 1
ASSI { 526}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 14 and name HN ))
3.700 1.700 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.50644E-03 ppm1 1.548 ppm2 8.877 CV 1
ASSI { 527}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 23 and name HN ))
3.200 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12268E-02 ppm1 1.440 ppm2 8.882 CV 1
OR { 527}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 528}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.600 1.600 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.60457E-03 ppm1 1.526 ppm2 8.837 CV 1
ASSI { 529}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.26171E-02 ppm1 1.512 ppm2 8.744 CV 1
ASSI { 530}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 29 and name HN ))
3.400 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.84291E-03 ppm1 1.447 ppm2 8.710 CV 1
ASSI { 531}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.42849E-03 ppm1 1.553 ppm2 8.707 CV 1
ASSI { 532}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.39133E-03 ppm1 1.678 ppm2 8.708 CV 1
ASSI { 533}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.200 1.300 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.11096E-02 ppm1 1.859 ppm2 8.711 CV 1
OR { 533}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 534}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 9 and name HN ))
4.500 2.500 1.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.14515E-03 ppm1 1.802 ppm2 8.626 CV 1
ASSI { 535}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 22 and name HN ))
3.400 1.400 1.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.81330E-03 ppm1 1.571 ppm2 8.629 CV 1
ASSI { 537}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.13064E-02 ppm1 1.532 ppm2 8.535 CV 1
ASSI { 538}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 4 and name HN ))
3.000 1.200 1.200 peak 538 spectrum 1 weight 0.10000E+01 volume 0.15488E-02 ppm1 1.780 ppm2 8.530 CV 1
ASSI { 539}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.16548E-02 ppm1 1.098 ppm2 8.881 CV 1
ASSI { 540}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.16562E-02 ppm1 1.181 ppm2 8.836 CV 1
ASSI { 541}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 10 and name HN ))
3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.60065E-03 ppm1 1.096 ppm2 8.831 CV 1
ASSI { 542}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 29 and name HN ))
3.300 1.400 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.86875E-03 ppm1 1.181 ppm2 8.713 CV 1
ASSI { 543}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.47146E-03 ppm1 1.100 ppm2 8.739 CV 1
ASSI { 544}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 19 and name HN ))
3.400 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.83492E-03 ppm1 1.181 ppm2 8.739 CV 1
ASSI { 545}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.33487E-02 ppm1 1.094 ppm2 8.635 CV 1
ASSI { 547}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.700 0.900 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.29510E-02 ppm1 4.899 ppm2 8.459 CV 1
ASSI { 548}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 32 and name HE1 ))
3.700 1.700 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.51094E-03 ppm1 4.620 ppm2 7.892 CV 1
ASSI { 549}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HN ))
2.700 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.31948E-02 ppm1 4.318 ppm2 7.966 CV 1
ASSI { 551}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 15 and name HN ))
2.900 2.900 3.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.20612E-02 ppm1 4.090 ppm2 8.198 CV 1
ASSI { 552}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 8 and name HN ))
2.900 1.100 1.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.19843E-02 ppm1 4.495 ppm2 8.202 CV 1
ASSI { 553}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.200 0.600 0.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.10759E-01 ppm1 4.411 ppm2 7.683 CV 1
ASSI { 554}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.200 0.600 0.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.97471E-02 ppm1 4.177 ppm2 7.795 CV 1
ASSI { 555}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 555 spectrum 1 weight 0.10000E+01 volume 0.14042E-02 ppm1 3.947 ppm2 7.859 CV 1
ASSI { 557}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 32 and name HE1 ))
2.900 1.000 1.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.21280E-02 ppm1 3.384 ppm2 7.892 CV 1
ASSI { 558}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
3.100 1.200 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.13353E-02 ppm1 3.384 ppm2 7.963 CV 1
ASSI { 559}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HN ))
3.300 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.98676E-03 ppm1 3.137 ppm2 7.966 CV 1
ASSI { 560}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 32 and name HE1 ))
2.600 0.800 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.43575E-02 ppm1 2.890 ppm2 7.893 CV 1
ASSI { 561}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 32 and name HE1 ))
3.000 1.100 1.100 peak 561 spectrum 1 weight 0.10000E+01 volume 0.17694E-02 ppm1 2.705 ppm2 7.892 CV 1
OR { 561}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 32 and name HE1 ))
ASSI { 562}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 8 and name HN ))
3.000 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.15531E-02 ppm1 3.655 ppm2 8.201 CV 1
ASSI { 563}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HN ))
3.400 1.400 1.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.81664E-03 ppm1 3.719 ppm2 8.199 CV 1
ASSI { 564}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 15 and name HN ))
3.600 1.600 1.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.53068E-03 ppm1 3.148 ppm2 8.196 CV 1
OR { 564}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 15 and name HN ))
OR { 564}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 8 and name HN ))
OR { 564}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 8 and name HN ))
ASSI { 565}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.900 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.21454E-02 ppm1 2.701 ppm2 8.202 CV 1
ASSI { 566}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14951E-02 ppm1 3.150 ppm2 7.795 CV 1
OR { 566}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 567}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 28 and name HE1 ))
3.100 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 3.150 ppm2 7.824 CV 1
ASSI { 568}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 34 and name HN ))
3.500 1.500 1.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.67888E-03 ppm1 2.587 ppm2 7.858 CV 1
ASSI { 569}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 34 and name HN ))
3.000 1.200 1.200 peak 569 spectrum 1 weight 0.10000E+01 volume 0.15125E-02 ppm1 2.234 ppm2 7.859 CV 1
ASSI { 570}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.13758E-02 ppm1 1.997 ppm2 7.861 CV 1
OR { 570}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HN ))
ASSI { 572}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 28 and name HE1 ))
2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.32326E-02 ppm1 1.567 ppm2 7.826 CV 1
OR { 572}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 28 and name HE1 ))
ASSI { 573}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.900 2.900 3.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.20147E-02 ppm1 1.525 ppm2 7.793 CV 1
ASSI { 574}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HN ))
3.900 1.900 1.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.35505E-03 ppm1 1.774 ppm2 7.796 CV 1
ASSI { 575}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
3.300 1.400 1.400 peak 575 spectrum 1 weight 0.10000E+01 volume 0.91824E-03 ppm1 1.706 ppm2 7.681 CV 1
OR { 575}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
ASSI { 576}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 35 and name HN ))
3.300 1.300 1.300 peak 576 spectrum 1 weight 0.10000E+01 volume 0.96992E-03 ppm1 1.644 ppm2 7.681 CV 1
ASSI { 577}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.700 2.700 3.300 peak 577 spectrum 1 weight 0.10000E+01 volume 0.34924E-02 ppm1 1.976 ppm2 7.965 CV 1
ASSI { 578}
(( segid " " and resid 25 and name HG ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.26462E-02 ppm1 1.672 ppm2 7.965 CV 1
ASSI { 579}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 26 and name HN ))
4.400 2.400 1.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.16765E-03 ppm1 1.544 ppm2 7.967 CV 1
ASSI { 581}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 1.527 ppm2 8.202 CV 1
ASSI { 582}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 15 and name HN ))
3.900 1.900 1.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.32732E-03 ppm1 1.631 ppm2 8.204 CV 1
ASSI { 584}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 8 and name HN ))
4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.29002E-03 ppm1 1.885 ppm2 8.198 CV 1
ASSI { 586}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 28 and name HE1 ))
3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.11830E-02 ppm1 1.300 ppm2 7.826 CV 1
ASSI { 587}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 587 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 1.094 ppm2 7.964 CV 1
ASSI { 588}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 26 and name HN ))
3.600 1.600 1.600 peak 588 spectrum 1 weight 0.10000E+01 volume 0.55449E-03 ppm1 1.179 ppm2 7.964 CV 1
ASSI { 589}
( segid " " and resid 25 and name HD2%)
(( segid " " and resid 8 and name HN ))
3.000 3.000 3.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.16199E-02 ppm1 1.098 ppm2 8.199 CV 1
ASSI { 590}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.19538E-02 ppm1 1.181 ppm2 8.199 CV 1
ASSI { 592}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HE1 ))
4.000 2.000 2.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.28436E-03 ppm1 0.584 ppm2 7.893 CV 1
ASSI { 593}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 12 and name HZ3 ))
3.300 1.400 1.400 peak 593 spectrum 1 weight 0.10000E+01 volume 0.86265E-03 ppm1 0.584 ppm2 7.077 CV 1
ASSI { 594}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 12 and name HH2 ))
3.900 1.900 1.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.35897E-03 ppm1 0.588 ppm2 7.158 CV 1
ASSI { 595}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 595 spectrum 1 weight 0.10000E+01 volume 0.16112E-02 ppm1 0.580 ppm2 7.295 CV 1
ASSI { 596}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 12 and name HE3 ))
3.600 1.600 1.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.57931E-03 ppm1 0.582 ppm2 7.392 CV 1
ASSI { 597}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 12 and name HZ2 ))
3.100 1.200 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 0.584 ppm2 7.500 CV 1
ASSI { 598}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 28 and name HN ))
3.400 1.500 1.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.72533E-03 ppm1 0.859 ppm2 7.437 CV 1
ASSI { 599}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 30 and name HN ))
4.200 2.200 2.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.23399E-03 ppm1 0.867 ppm2 7.314 CV 1
ASSI { 600}
(( segid " " and resid 27 and name HG ))
(( segid " " and resid 24 and name HD2 ))
2.800 1.000 1.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 0.871 ppm2 6.925 CV 1
ASSI { 601}
( segid " " and resid 25 and name HD2%)
( segid " " and resid 19 and name HE% )
3.700 1.700 1.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.44722E-03 ppm1 1.091 ppm2 6.928 CV 1
ASSI { 602}
( segid " " and resid 25 and name HD1%)
( segid " " and resid 19 and name HE% )
2.600 0.900 0.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.38335E-02 ppm1 1.179 ppm2 6.932 CV 1
ASSI { 603}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 19 and name HE% )
2.700 0.900 0.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.32239E-02 ppm1 1.298 ppm2 6.932 CV 1
ASSI { 604}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 19 and name HE% )
3.700 1.700 1.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.50078E-03 ppm1 1.433 ppm2 6.925 CV 1
ASSI { 605}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 19 and name HE% )
3.000 1.100 1.100 peak 605 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 1.548 ppm2 6.929 CV 1
ASSI { 608}
( segid " " and resid 25 and name HD2%)
( segid " " and resid 8 and name HD% )
2.300 0.700 0.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.80691E-02 ppm1 1.099 ppm2 7.185 CV 1
ASSI { 609}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 28 and name HD2 ))
2.500 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.49251E-02 ppm1 1.185 ppm2 7.196 CV 1
ASSI { 610}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.29684E-02 ppm1 1.101 ppm2 7.353 CV 1
ASSI { 611}
( segid " " and resid 25 and name HD2%)
( segid " " and resid 19 and name HD% )
2.900 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.19581E-02 ppm1 1.095 ppm2 7.428 CV 1
ASSI { 612}
( segid " " and resid 25 and name HD1%)
( segid " " and resid 19 and name HD% )
2.400 0.700 0.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.65334E-02 ppm1 1.177 ppm2 7.432 CV 1
ASSI { 613}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 19 and name HD% )
3.200 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.10328E-02 ppm1 1.437 ppm2 7.430 CV 1
ASSI { 614}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.25808E-02 ppm1 1.554 ppm2 7.437 CV 1
ASSI { 615}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.500 2.500 3.500 peak 615 spectrum 1 weight 0.10000E+01 volume 0.46188E-02 ppm1 1.671 ppm2 7.435 CV 1
ASSI { 617}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 27 and name HN ))
2.400 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.68208E-02 ppm1 1.449 ppm2 7.542 CV 1
ASSI { 619}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.600 1.600 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.59092E-03 ppm1 1.429 ppm2 7.351 CV 1
ASSI { 621}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 8 and name HD% )
2.800 1.000 1.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.23254E-02 ppm1 1.429 ppm2 7.192 CV 1
ASSI { 622}
(( segid " " and resid 25 and name HG ))
( segid " " and resid 8 and name HD% )
3.100 3.100 2.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.12534E-02 ppm1 1.654 ppm2 7.193 CV 1
ASSI { 623}
(( segid " " and resid 7 and name HG3 ))
( segid " " and resid 8 and name HE% )
2.800 1.000 1.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.25852E-02 ppm1 1.791 ppm2 7.400 CV 1
ASSI { 624}
(( segid " " and resid 7 and name HG2 ))
( segid " " and resid 8 and name HE% )
3.800 1.800 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.40629E-03 ppm1 1.871 ppm2 7.401 CV 1
ASSI { 625}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.500 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.52284E-02 ppm1 1.861 ppm2 7.514 CV 1
OR { 625}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 626}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.200 1.300 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 1.990 ppm2 7.538 CV 1
OR { 626}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 27 and name HN ))
OR { 626}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 27 and name HN ))
ASSI { 627}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.400 1.400 1.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.85771E-03 ppm1 2.084 ppm2 7.513 CV 1
ASSI { 628}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 19 and name HD% )
3.100 1.200 1.200 peak 628 spectrum 1 weight 0.10000E+01 volume 0.12591E-02 ppm1 1.984 ppm2 7.430 CV 1
ASSI { 630}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.65566E-03 ppm1 2.010 ppm2 6.968 CV 1
OR { 630}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 32 and name HN ))
ASSI { 631}
(( segid " " and resid 29 and name HG3 ))
( segid " " and resid 19 and name HE% )
3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.12003E-02 ppm1 2.002 ppm2 6.925 CV 1
OR { 631}
(( segid " " and resid 29 and name HG2 ))
( segid " " and resid 19 and name HE% )
OR { 631}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 19 and name HE% )
ASSI { 632}
(( segid " " and resid 17 and name HG2 ))
( segid " " and resid 19 and name HE% )
3.000 1.100 1.100 peak 632 spectrum 1 weight 0.10000E+01 volume 0.17244E-02 ppm1 1.766 ppm2 6.949 CV 1
ASSI { 633}
(( segid " " and resid 7 and name HG3 ))
( segid " " and resid 8 and name HD% )
2.800 0.900 0.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.27884E-02 ppm1 1.801 ppm2 7.185 CV 1
ASSI { 634}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 634 spectrum 1 weight 0.10000E+01 volume 0.11315E-02 ppm1 2.623 ppm2 7.353 CV 1
ASSI { 636}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.22818E-02 ppm1 2.818 ppm2 7.480 CV 1
ASSI { 637}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HE3 ))
2.300 0.600 0.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.88776E-02 ppm1 2.718 ppm2 7.396 CV 1
ASSI { 638}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.500 1.500 1.500 peak 638 spectrum 1 weight 0.10000E+01 volume 0.66742E-03 ppm1 2.738 ppm2 7.353 CV 1
ASSI { 639}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 12 and name HH2 ))
3.000 3.000 3.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.15880E-02 ppm1 2.585 ppm2 7.164 CV 1
ASSI { 640}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 12 and name HZ3 ))
2.900 2.900 3.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.18797E-02 ppm1 2.589 ppm2 7.081 CV 1
ASSI { 641}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HZ3 ))
3.100 3.100 2.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 2.718 ppm2 7.080 CV 1
OR { 641}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HZ3 ))
ASSI { 642}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 32 and name HN ))
3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.81257E-03 ppm1 2.599 ppm2 6.965 CV 1
ASSI { 643}
(( segid " " and resid 21 and name HD3 ))
( segid " " and resid 19 and name HE% )
3.700 1.700 1.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.50426E-03 ppm1 2.629 ppm2 6.924 CV 1
ASSI { 645}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.700 1.700 1.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.46565E-03 ppm1 2.802 ppm2 7.112 CV 1
ASSI { 646}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.900 1.900 1.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.32268E-03 ppm1 2.878 ppm2 7.111 CV 1
ASSI { 647}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HD1 ))
2.600 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.36884E-02 ppm1 2.894 ppm2 6.953 CV 1
ASSI { 648}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 19 and name HE% )
3.100 1.200 1.200 peak 648 spectrum 1 weight 0.10000E+01 volume 0.13865E-02 ppm1 2.861 ppm2 6.917 CV 1
ASSI { 649}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.29728E-02 ppm1 2.019 ppm2 7.349 CV 1
ASSI { 650}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
3.300 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 2.109 ppm2 7.302 CV 1
ASSI { 651}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 19 and name HD% )
2.500 0.800 0.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.46290E-02 ppm1 2.808 ppm2 7.432 CV 1
ASSI { 652}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 8 and name HD% )
3.400 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.80517E-03 ppm1 2.792 ppm2 7.188 CV 1
ASSI { 653}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HD1 ))
2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.50252E-02 ppm1 2.703 ppm2 6.950 CV 1
ASSI { 657}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.400 0.700 0.700 peak 657 spectrum 1 weight 0.10000E+01 volume 0.62184E-02 ppm1 3.156 ppm2 7.114 CV 1
ASSI { 659}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.300 3.300 2.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.89255E-03 ppm1 3.088 ppm2 7.546 CV 1
ASSI { 660}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.400 1.400 1.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.82810E-03 ppm1 3.336 ppm2 7.483 CV 1
ASSI { 661}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 19 and name HD% )
2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.31106E-02 ppm1 3.386 ppm2 7.437 CV 1
ASSI { 662}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 8 and name HE% )
2.800 1.000 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.24444E-02 ppm1 3.453 ppm2 7.405 CV 1
OR { 662}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 8 and name HE% )
ASSI { 663}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 19 and name HD% )
2.300 0.700 0.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.79414E-02 ppm1 3.726 ppm2 7.430 CV 1
ASSI { 664}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.29887E-02 ppm1 3.718 ppm2 7.483 CV 1
ASSI { 665}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 31 and name HN ))
3.300 1.400 1.400 peak 665 spectrum 1 weight 0.10000E+01 volume 0.95511E-03 ppm1 3.660 ppm2 7.512 CV 1
ASSI { 666}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 666 spectrum 1 weight 0.10000E+01 volume 0.17157E-02 ppm1 3.656 ppm2 7.314 CV 1
ASSI { 667}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 28 and name HD2 ))
2.700 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.34401E-02 ppm1 3.654 ppm2 7.197 CV 1
ASSI { 668}
(( segid " " and resid 7 and name HD2 ))
( segid " " and resid 8 and name HD% )
3.500 1.500 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.67366E-03 ppm1 3.738 ppm2 7.182 CV 1
ASSI { 669}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 25 and name HN ))
3.600 1.700 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.52531E-03 ppm1 3.718 ppm2 7.110 CV 1
ASSI { 670}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 28 and name HD2 ))
2.400 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.58192E-02 ppm1 3.422 ppm2 7.196 CV 1
ASSI { 671}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HN ))
2.900 1.100 1.100 peak 671 spectrum 1 weight 0.10000E+01 volume 0.20322E-02 ppm1 3.658 ppm2 6.966 CV 1
ASSI { 672}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 19 and name HE% )
3.800 1.800 1.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.43633E-03 ppm1 3.714 ppm2 6.930 CV 1
ASSI { 673}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 19 and name HE% )
2.800 1.000 1.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.23167E-02 ppm1 3.392 ppm2 6.944 CV 1
ASSI { 674}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 19 and name HE% )
3.100 1.200 1.200 peak 674 spectrum 1 weight 0.10000E+01 volume 0.13559E-02 ppm1 3.082 ppm2 6.932 CV 1
ASSI { 675}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.400 1.500 1.500 peak 675 spectrum 1 weight 0.10000E+01 volume 0.75567E-03 ppm1 3.055 ppm2 7.114 CV 1
OR { 675}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 676}
(( segid " " and resid 30 and name HE3 ))
(( segid " " and resid 30 and name HN ))
3.500 1.600 1.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.63258E-03 ppm1 2.965 ppm2 7.317 CV 1
OR { 676}
(( segid " " and resid 30 and name HE2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 677}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
2.900 1.000 1.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.21715E-02 ppm1 4.009 ppm2 7.437 CV 1
ASSI { 679}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 19 and name HD% )
3.300 3.300 2.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.85975E-03 ppm1 3.605 ppm2 7.437 CV 1
ASSI { 680}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 8 and name HE% )
2.800 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.23428E-02 ppm1 3.152 ppm2 7.402 CV 1
ASSI { 681}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 19 and name HD% )
2.900 1.000 1.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 3.185 ppm2 7.433 CV 1
ASSI { 682}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.18159E-02 ppm1 3.947 ppm2 7.298 CV 1
ASSI { 683}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 28 and name HN ))
3.300 1.400 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.86904E-03 ppm1 4.365 ppm2 7.433 CV 1
ASSI { 684}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HE3 ))
2.600 0.900 0.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.36114E-02 ppm1 4.445 ppm2 7.394 CV 1
ASSI { 685}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 12 and name HZ2 ))
3.400 1.500 1.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.77570E-03 ppm1 4.406 ppm2 7.497 CV 1
ASSI { 686}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HN ))
3.000 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.17985E-02 ppm1 4.367 ppm2 7.547 CV 1
ASSI { 687}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 687 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 4.713 ppm2 7.483 CV 1
ASSI { 688}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 8 and name HE% )
2.500 0.800 0.800 peak 688 spectrum 1 weight 0.10000E+01 volume 0.56116E-02 ppm1 4.613 ppm2 7.404 CV 1
ASSI { 689}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 19 and name HD% )
4.300 2.300 2.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.20409E-03 ppm1 4.746 ppm2 7.435 CV 1
ASSI { 690}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 19 and name HD% )
2.700 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.30598E-02 ppm1 5.111 ppm2 7.430 CV 1
ASSI { 691}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 19 and name HE% )
3.400 1.400 1.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.80299E-03 ppm1 5.107 ppm2 6.924 CV 1
ASSI { 692}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD1 ))
3.600 1.600 1.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.58744E-03 ppm1 4.449 ppm2 6.952 CV 1
ASSI { 693}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 12 and name HD1 ))
3.500 1.500 1.500 peak 693 spectrum 1 weight 0.10000E+01 volume 0.64202E-03 ppm1 4.607 ppm2 6.947 CV 1
ASSI { 694}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 12 and name HZ3 ))
3.500 1.600 1.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.62111E-03 ppm1 4.422 ppm2 7.079 CV 1
ASSI { 695}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 695 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 4.357 ppm2 7.112 CV 1
ASSI { 696}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 12 and name HH2 ))
3.000 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.15227E-02 ppm1 4.402 ppm2 7.163 CV 1
ASSI { 697}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 8 and name HD% )
3.400 3.400 2.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.80618E-03 ppm1 4.500 ppm2 7.190 CV 1
ASSI { 698}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 8 and name HD% )
3.000 1.100 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.17680E-02 ppm1 4.609 ppm2 7.188 CV 1
ASSI { 699}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 30 and name HN ))
3.500 1.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.71546E-03 ppm1 4.119 ppm2 7.314 CV 1
ASSI { 700}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 31 and name HN ))
3.300 1.400 1.400 peak 700 spectrum 1 weight 0.10000E+01 volume 0.89357E-03 ppm1 4.119 ppm2 7.511 CV 1
ASSI { 701}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.600 1.600 1.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.54404E-03 ppm1 4.160 ppm2 7.484 CV 1
ASSI { 702}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 19 and name HD% )
3.400 1.500 1.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.75436E-03 ppm1 4.496 ppm2 7.432 CV 1
ASSI { 703}
( segid " " and resid 25 and name HD1%)
(( segid " " and resid 19 and name HZ ))
3.600 1.600 1.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.59078E-03 ppm1 1.174 ppm2 6.335 CV 1
ASSI { 704}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 19 and name HZ ))
2.800 1.000 1.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.27550E-02 ppm1 1.294 ppm2 6.332 CV 1
ASSI { 705}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 19 and name HZ ))
2.700 0.900 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.32573E-02 ppm1 1.534 ppm2 6.332 CV 1
OR { 705}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 19 and name HZ ))
ASSI { 706}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 19 and name HZ ))
3.700 1.700 1.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.49236E-03 ppm1 1.763 ppm2 6.334 CV 1
ASSI { 707}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 32 and name HD2 ))
2.500 0.800 0.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.45999E-02 ppm1 2.001 ppm2 6.116 CV 1
ASSI { 708}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 32 and name HD2 ))
2.700 0.900 0.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 2.715 ppm2 6.114 CV 1
ASSI { 709}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 19 and name HZ ))
2.700 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.32645E-02 ppm1 2.881 ppm2 6.332 CV 1
ASSI { 710}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 19 and name HZ ))
2.900 1.100 1.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.19915E-02 ppm1 3.101 ppm2 6.332 CV 1
ASSI { 712}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 19 and name HZ ))
3.600 1.700 1.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.52430E-03 ppm1 3.421 ppm2 6.336 CV 1
ASSI { 714}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HD2 ))
2.200 0.600 0.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.10921E-01 ppm1 3.650 ppm2 6.117 CV 1
ASSI { 715}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 19 and name HZ ))
3.500 1.600 1.600 peak 715 spectrum 1 weight 0.10000E+01 volume 0.62271E-03 ppm1 4.116 ppm2 6.334 CV 1
ASSI { 716}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
2.500 2.500 3.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.44315E-02 ppm1 7.491 ppm2 9.888 CV 1
ASSI { 717}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 12 and name HE1 ))
4.000 2.000 2.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.28726E-03 ppm1 7.901 ppm2 10.070 CV 1
ASSI { 718}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 12 and name HN ))
4.200 2.200 2.100 peak 718 spectrum 1 weight 0.10000E+01 volume 0.23660E-03 ppm1 6.120 ppm2 9.399 CV 1
ASSI { 719}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 12 and name HN ))
3.300 3.300 2.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.93189E-03 ppm1 6.952 ppm2 9.399 CV 1
ASSI { 720}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HN ))
3.400 1.400 1.400 peak 720 spectrum 1 weight 0.10000E+01 volume 0.84712E-03 ppm1 7.400 ppm2 9.401 CV 1
ASSI { 721}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
2.300 0.700 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.77744E-02 ppm1 8.205 ppm2 9.400 CV 1
ASSI { 722}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 29 and name HN ))
4.100 2.100 2.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.27231E-03 ppm1 6.117 ppm2 8.710 CV 1
ASSI { 724}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 10 and name HN ))
3.600 1.600 1.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.57539E-03 ppm1 6.947 ppm2 8.831 CV 1
ASSI { 725}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 19 and name HN ))
3.400 1.500 1.500 peak 725 spectrum 1 weight 0.10000E+01 volume 0.75524E-03 ppm1 6.939 ppm2 8.732 CV 1
ASSI { 726}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 9 and name HN ))
2.900 2.900 3.100 peak 726 spectrum 1 weight 0.10000E+01 volume 0.22557E-02 ppm1 7.186 ppm2 8.634 CV 1
ASSI { 727}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.13000E-02 ppm1 7.198 ppm2 8.710 CV 1
ASSI { 728}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.50412E-03 ppm1 7.197 ppm2 8.744 CV 1
ASSI { 729}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
2.600 0.900 0.900 peak 729 spectrum 1 weight 0.10000E+01 volume 0.37058E-02 ppm1 7.316 ppm2 8.711 CV 1
ASSI { 730}
( segid " " and resid 8 and name HE% )
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.31803E-02 ppm1 7.415 ppm2 8.629 CV 1
ASSI { 731}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
4.100 2.100 2.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.24081E-03 ppm1 7.481 ppm2 8.630 CV 1
ASSI { 732}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HN ))
2.700 0.900 0.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.29582E-02 ppm1 7.441 ppm2 8.712 CV 1
ASSI { 733}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 733 spectrum 1 weight 0.10000E+01 volume 0.33603E-02 ppm1 7.437 ppm2 8.745 CV 1
ASSI { 734}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 29 and name HN ))
4.200 2.200 2.100 peak 734 spectrum 1 weight 0.10000E+01 volume 0.23181E-03 ppm1 7.548 ppm2 8.711 CV 1
ASSI { 735}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 10 and name HN ))
3.500 1.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.67569E-03 ppm1 7.440 ppm2 8.831 CV 1
ASSI { 736}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
2.600 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.43764E-02 ppm1 7.359 ppm2 8.883 CV 1
ASSI { 737}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 23 and name HN ))
3.600 3.600 2.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.60413E-03 ppm1 7.432 ppm2 8.882 CV 1
OR { 737}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 23 and name HN ))
ASSI { 738}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 10 and name HN ))
3.700 3.700 2.300 peak 738 spectrum 1 weight 0.10000E+01 volume 0.45186E-03 ppm1 7.197 ppm2 8.834 CV 1
ASSI { 739}
(( segid " " and resid 29 and name HE ))
(( segid " " and resid 29 and name HN ))
4.100 2.100 2.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.25533E-03 ppm1 7.648 ppm2 8.708 CV 1
ASSI { 740}
(( segid " " and resid 9 and name HE21))
(( segid " " and resid 10 and name HN ))
3.800 1.800 1.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.38495E-03 ppm1 7.727 ppm2 8.836 CV 1
ASSI { 741}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
3.900 1.900 1.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.32558E-03 ppm1 7.805 ppm2 8.745 CV 1
ASSI { 742}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 19 and name HN ))
2.900 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.21120E-02 ppm1 8.202 ppm2 8.744 CV 1
ASSI { 744}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
3.300 1.300 1.300 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10065E-02 ppm1 8.202 ppm2 8.838 CV 1
ASSI { 745}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 8.204 ppm2 8.637 CV 1
ASSI { 746}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
3.400 1.400 1.400 peak 746 spectrum 1 weight 0.10000E+01 volume 0.79762E-03 ppm1 7.813 ppm2 8.461 CV 1
ASSI { 747}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 747 spectrum 1 weight 0.10000E+01 volume 0.46028E-02 ppm1 8.632 ppm2 8.881 CV 1
ASSI { 748}
(( segid " " and resid 19 and name HZ ))
(( segid " " and resid 28 and name HE1 ))
3.800 1.800 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.38829E-03 ppm1 6.339 ppm2 7.824 CV 1
ASSI { 750}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 21 and name HE ))
2.800 1.000 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.25373E-02 ppm1 6.949 ppm2 8.088 CV 1
ASSI { 751}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 15 and name HN ))
3.100 1.200 1.200 peak 751 spectrum 1 weight 0.10000E+01 volume 0.14266E-02 ppm1 6.955 ppm2 8.203 CV 1
ASSI { 752}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.500 0.800 0.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.44228E-02 ppm1 7.113 ppm2 7.965 CV 1
ASSI { 753}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
2.500 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.56029E-02 ppm1 7.304 ppm2 7.860 CV 1
ASSI { 754}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 28 and name HE1 ))
3.200 1.300 1.300 peak 754 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 6.949 ppm2 7.826 CV 1
ASSI { 755}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
2.600 0.800 0.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.40672E-02 ppm1 7.546 ppm2 7.964 CV 1
ASSI { 756}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.27507E-02 ppm1 7.439 ppm2 7.964 CV 1
ASSI { 757}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
2.700 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.28363E-02 ppm1 7.690 ppm2 7.859 CV 1
ASSI { 758}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 28 and name HD2 ))
3.100 1.200 1.200 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12641E-02 ppm1 6.112 ppm2 7.197 CV 1
ASSI { 759}
(( segid " " and resid 19 and name HZ ))
(( segid " " and resid 28 and name HD2 ))
3.500 1.500 1.500 peak 759 spectrum 1 weight 0.10000E+01 volume 0.66277E-03 ppm1 6.344 ppm2 7.200 CV 1
ASSI { 760}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 12 and name HE3 ))
3.900 1.900 1.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.34576E-03 ppm1 6.123 ppm2 7.392 CV 1
ASSI { 761}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.10165E-01 ppm1 6.963 ppm2 7.301 CV 1
ASSI { 765}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 29 and name HE ))
2.400 2.400 3.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.63621E-02 ppm1 6.935 ppm2 7.647 CV 1
OR { 765}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 29 and name HE ))
ASSI { 766}
(( segid " " and resid 12 and name HZ3 ))
(( segid " " and resid 29 and name HE ))
2.800 1.000 1.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.27550E-02 ppm1 7.083 ppm2 7.647 CV 1
ASSI { 767}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.29031E-02 ppm1 7.321 ppm2 7.513 CV 1
ASSI { 768}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 9 and name HA ))
3.300 3.300 2.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.93348E-03 ppm1 5.108 ppm2 4.490 CV 1
ASSI { 769}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 6 and name HA ))
3.700 1.800 1.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.44069E-03 ppm1 4.721 ppm2 4.489 CV 1
ASSI { 771}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HA2 ))
3.100 1.200 1.200 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 4.417 ppm2 3.933 CV 1
OR { 771}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HA1 ))
ASSI { 774}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 7 and name HD2 ))
2.900 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.21280E-02 ppm1 4.719 ppm2 3.720 CV 1
ASSI { 775}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 7 and name HD3 ))
2.500 2.500 3.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.47306E-02 ppm1 4.713 ppm2 3.651 CV 1
ASSI { 777}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.700 0.900 0.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.30555E-02 ppm1 4.498 ppm2 3.598 CV 1
ASSI { 778}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.900 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.21367E-02 ppm1 4.501 ppm2 3.767 CV 1
ASSI { 779}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD3 ))
2.700 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.34024E-02 ppm1 4.183 ppm2 3.162 CV 1
ASSI { 780}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HD2 ))
3.000 3.000 3.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.17070E-02 ppm1 4.087 ppm2 3.162 CV 1
ASSI { 781}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HB2 ))
2.900 1.000 1.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.20917E-02 ppm1 3.726 ppm2 3.033 CV 1
ASSI { 782}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 24 and name HB3 ))
3.700 1.700 1.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.50064E-03 ppm1 3.717 ppm2 3.163 CV 1
ASSI { 783}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 24 and name HB2 ))
4.300 2.300 2.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.20525E-03 ppm1 3.728 ppm2 3.328 CV 1
ASSI { 784}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 29 and name HD3 ))
3.300 1.300 1.300 peak 784 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 4.033 ppm2 3.385 CV 1
ASSI { 786}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 33 and name HG2 ))
3.200 1.300 1.300 peak 786 spectrum 1 weight 0.10000E+01 volume 0.11714E-02 ppm1 3.973 ppm2 2.586 CV 1
ASSI { 787}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
2.300 0.600 0.600 peak 787 spectrum 1 weight 0.10000E+01 volume 0.89299E-02 ppm1 4.117 ppm2 2.881 CV 1
ASSI { 790}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 26 and name HB% )
2.200 0.600 0.600 peak 790 spectrum 1 weight 0.10000E+01 volume 0.93944E-02 ppm1 4.319 ppm2 1.446 CV 1
ASSI { 791}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.600 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.36361E-02 ppm1 4.489 ppm2 2.084 CV 1
ASSI { 792}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.400 0.700 0.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.66060E-02 ppm1 4.089 ppm2 2.045 CV 1
ASSI { 793}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 29 and name HB2 ))
2.100 0.600 0.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.12771E-01 ppm1 4.009 ppm2 1.996 CV 1
ASSI { 794}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HD2 ))
2.300 2.300 3.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.72838E-02 ppm1 4.089 ppm2 1.622 CV 1
ASSI { 795}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 25 and name HD1%)
2.900 2.900 3.100 peak 795 spectrum 1 weight 0.10000E+01 volume 0.18551E-02 ppm1 4.029 ppm2 1.172 CV 1
ASSI { 801}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 25 and name HD1%)
2.300 0.700 0.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.80401E-02 ppm1 4.590 ppm2 1.177 CV 1
ASSI { 803}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HG ))
2.500 0.800 0.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.44257E-02 ppm1 4.363 ppm2 0.858 CV 1
ASSI { 804}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HG3 ))
2.400 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.62184E-02 ppm1 3.659 ppm2 1.797 CV 1
ASSI { 805}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 25 and name HD1%)
2.600 0.900 0.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.35882E-02 ppm1 2.862 ppm2 1.174 CV 1
ASSI { 807}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 25 and name HD2%)
2.200 0.600 0.600 peak 807 spectrum 1 weight 0.10000E+01 volume 0.11519E-01 ppm1 3.035 ppm2 1.088 CV 1
ASSI { 808}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 25 and name HD1%)
2.800 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.27841E-02 ppm1 3.046 ppm2 1.181 CV 1
ASSI { 809}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 25 and name HD1%)
3.300 3.300 2.700 peak 809 spectrum 1 weight 0.10000E+01 volume 0.90039E-03 ppm1 3.153 ppm2 1.180 CV 1
OR { 809}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 25 and name HD1%)
OR { 809}
(( segid " " and resid 17 and name HD3 ))
( segid " " and resid 25 and name HD1%)
OR { 809}
(( segid " " and resid 17 and name HD2 ))
( segid " " and resid 25 and name HD1%)
ASSI { 810}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HB2 ))
3.200 3.200 2.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.11612E-02 ppm1 3.144 ppm2 1.970 CV 1
ASSI { 811}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 25 and name HB2 ))
2.800 1.000 1.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.26621E-02 ppm1 3.046 ppm2 1.974 CV 1
ASSI { 812}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 26 and name HB% )
3.700 1.700 1.700 peak 812 spectrum 1 weight 0.10000E+01 volume 0.51326E-03 ppm1 2.620 ppm2 1.444 CV 1
ASSI { 813}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HB3 ))
1.900 0.400 0.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.26868E-01 ppm1 2.086 ppm2 0.580 CV 1
ASSI { 814}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB3 ))
2.300 0.700 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.78702E-02 ppm1 3.953 ppm2 0.578 CV 1
ASSI { 815}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.800 1.800 1.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.43575E-03 ppm1 1.283 ppm2 8.201 CV 1
ASSI { 816}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
3.000 1.100 1.100 peak 816 spectrum 1 weight 0.10000E+01 volume 0.16925E-02 ppm1 2.016 ppm2 8.199 CV 1
ASSI { 818}
(( segid " " and resid 7 and name HB3 ))
( segid " " and resid 8 and name HD% )
3.000 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.16968E-02 ppm1 1.283 ppm2 7.187 CV 1
ASSI { 819}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 8 and name HD% )
2.800 1.000 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.24473E-02 ppm1 2.012 ppm2 7.188 CV 1
ASSI { 820}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HH22))
3.600 1.600 1.600 peak 820 spectrum 1 weight 0.10000E+01 volume 0.56479E-03 ppm1 3.151 ppm2 8.283 CV 1
OR { 820}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HH21))
ASSI { 821}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HH22))
3.100 1.200 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 2.642 ppm2 8.284 CV 1
OR { 821}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HH21))
ASSI { 822}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HE ))
2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.43357E-02 ppm1 3.394 ppm2 7.649 CV 1
ASSI { 823}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HE ))
3.000 1.100 1.100 peak 823 spectrum 1 weight 0.10000E+01 volume 0.16170E-02 ppm1 3.556 ppm2 7.649 CV 1
ASSI { 824}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HE ))
2.600 0.900 0.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.38204E-02 ppm1 2.003 ppm2 7.650 CV 1
ASSI { 826}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HN ))
2.800 1.000 1.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 1.320 ppm2 8.201 CV 1
ASSI { 827}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.500 0.800 0.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.47828E-02 ppm1 3.143 ppm2 8.626 CV 1
ASSI { 828}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
2.400 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.68875E-02 ppm1 3.712 ppm2 2.807 CV 1
ASSI { 829}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 3 and name HG2%)
2.900 1.100 1.100 peak 829 spectrum 1 weight 0.10000E+01 volume 0.19625E-02 ppm1 4.287 ppm2 1.231 CV 1
ASSI { 830}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HB3 ))
2.900 2.900 3.100 peak 830 spectrum 1 weight 0.10000E+01 volume 0.20525E-02 ppm1 1.828 ppm2 0.889 CV 1
ASSI { 832}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.59542E-02 ppm1 2.091 ppm2 6.971 CV 1
ASSI { 833}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 8 and name HE% )
3.500 1.500 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.69151E-03 ppm1 2.020 ppm2 7.402 CV 1
ASSI { 834}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.500 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.47131E-02 ppm1 2.972 ppm2 8.873 CV 1
OR { 834}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
ASSI { 835}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 835 spectrum 1 weight 0.10000E+01 volume 0.70530E-02 ppm1 4.269 ppm2 8.874 CV 1
ASSI { 836}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.000 2.000 4.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.20075E-01 ppm1 4.087 ppm2 8.874 CV 1
ASSI { 837}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.23529E-02 ppm1 1.624 ppm2 8.875 CV 1
ASSI { 838}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB3 ))
2.100 0.600 0.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.14016E-01 ppm1 4.270 ppm2 2.970 CV 1
OR { 838}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 839}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
3.700 1.800 1.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.43778E-03 ppm1 4.166 ppm2 8.155 CV 1
ASSI { 840}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB2 ))
3.600 1.700 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.52183E-03 ppm1 4.159 ppm2 1.817 CV 1
ASSI { 845}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.38683E-03 ppm1 7.510 ppm2 8.710 CV 1
ASSI { 851}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 27 and name HN ))
3.500 1.500 1.500 peak 851 spectrum 1 weight 0.10000E+01 volume 0.71154E-03 ppm1 6.938 ppm2 7.538 CV 1
ASSI { 852}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 3.448 ppm2 8.880 CV 1
OR { 852}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 853}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 23 and name HN ))
4.100 2.100 2.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.26229E-03 ppm1 3.345 ppm2 8.879 CV 1
ASSI { 854}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 14 and name HN ))
3.700 1.700 1.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.47117E-03 ppm1 6.945 ppm2 8.879 CV 1
ASSI { 855}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.500 0.800 0.800 peak 855 spectrum 1 weight 0.10000E+01 volume 0.48060E-02 ppm1 8.200 ppm2 8.877 CV 1
ASSI { 858}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 32 and name HD2 ))
3.600 1.700 1.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.52633E-03 ppm1 3.380 ppm2 6.116 CV 1
OR { 858}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 32 and name HD2 ))
ASSI { 859}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 32 and name HD2 ))
3.500 1.500 1.500 peak 859 spectrum 1 weight 0.10000E+01 volume 0.65522E-03 ppm1 3.555 ppm2 6.116 CV 1
ASSI { 860}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HN ))
4.000 2.000 2.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.28436E-03 ppm1 3.386 ppm2 8.710 CV 1
ASSI { 861}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HN ))
3.700 1.700 1.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.50325E-03 ppm1 3.553 ppm2 8.710 CV 1
ASSI { 863}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 8 and name HN ))
3.300 1.400 1.400 peak 863 spectrum 1 weight 0.10000E+01 volume 0.87528E-03 ppm1 1.811 ppm2 8.197 CV 1
ASSI { 865}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.600 0.900 0.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.36622E-02 ppm1 3.457 ppm2 8.627 CV 1
OR { 865}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 866}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB3 ))
6.000 4.500 0.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.164 ppm2 0.892 CV 1
ASSI { 867}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 25 and name HD2%)
3.800 1.800 1.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.43401E-03 ppm1 3.716 ppm2 1.092 CV 1
ASSI { 868}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 25 and name HD1%)
3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.43227E-03 ppm1 3.714 ppm2 1.176 CV 1
ASSI { 869}
(( segid " " and resid 29 and name HD2 ))
( segid " " and resid 25 and name HD1%)
3.000 1.100 1.100 peak 869 spectrum 1 weight 0.10000E+01 volume 0.16736E-02 ppm1 3.554 ppm2 1.177 CV 1
ASSI { 870}
(( segid " " and resid 29 and name HD2 ))
( segid " " and resid 25 and name HD2%)
3.600 1.600 1.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.54592E-03 ppm1 3.552 ppm2 1.093 CV 1
ASSI { 871}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 26 and name HB% )
3.500 1.500 1.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.66509E-03 ppm1 2.741 ppm2 1.445 CV 1
ASSI { 872}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 35 and name HG2%)
3.600 1.700 1.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.51907E-03 ppm1 4.420 ppm2 0.941 CV 1
ASSI { 873}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 12 and name HZ2 ))
3.700 1.700 1.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.47494E-03 ppm1 2.006 ppm2 7.510 CV 1
OR { 873}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 31 and name HN ))
OR { 873}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 31 and name HN ))
OR { 873}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 12 and name HZ2 ))
OR { 873}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 31 and name HN ))
ASSI { 874}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG3 ))
2.200 0.600 0.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10905E-01 ppm1 3.555 ppm2 1.996 CV 1
OR { 874}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 875}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HG3 ))
2.500 0.800 0.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.47552E-02 ppm1 3.393 ppm2 1.996 CV 1
OR { 875}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HB3 ))
OR { 875}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 877}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HG3 ))
3.800 1.800 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.40193E-03 ppm1 4.471 ppm2 1.795 CV 1
ASSI { 881}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HB2 ))
3.900 1.900 1.900 peak 881 spectrum 1 weight 0.10000E+01 volume 0.35389E-03 ppm1 3.646 ppm2 2.082 CV 1
ASSI { 882}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB2 ))
3.500 1.500 1.500 peak 882 spectrum 1 weight 0.10000E+01 volume 0.69296E-03 ppm1 3.951 ppm2 2.084 CV 1
ASSI { 885}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 885 spectrum 1 weight 0.10000E+01 volume 0.14544E-02 ppm1 8.202 ppm2 8.543 CV 1
ASSI { 886}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 6 and name HB2 ))
2.600 2.600 3.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.41949E-02 ppm1 3.655 ppm2 1.528 CV 1
ASSI { 887}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
2.800 1.000 1.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.27129E-02 ppm1 3.730 ppm2 1.530 CV 1
ASSI { 888}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
2.400 0.700 0.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.57365E-02 ppm1 4.176 ppm2 1.553 CV 1
OR { 888}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 891}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG ))
2.300 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.82404E-02 ppm1 1.558 ppm2 0.848 CV 1
ASSI { 892}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 25 and name HB3 ))
2.600 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.39496E-02 ppm1 3.043 ppm2 1.431 CV 1
ASSI { 893}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG3 ))
2.600 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.42196E-02 ppm1 3.151 ppm2 1.285 CV 1
OR { 893}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HG3 ))
ASSI { 895}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HD2 ))
2.500 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.48118E-02 ppm1 3.161 ppm2 6.931 CV 1
OR { 895}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 19 and name HE% )
OR { 895}
(( segid " " and resid 17 and name HD2 ))
( segid " " and resid 19 and name HE% )
Contact the webmaster for help, if required. Saturday, May 11, 2024 5:03:42 AM GMT (wattos1)