NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
5214 |
1go1   |
5485 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
!unambiguous NOE for CNS/ARIA
ASSI { 2}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 91 and name HB2 ))
3.200 1.300 1.300 peak 2 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 1.319 ppm2 4.376 CV 1
OR { 2}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 91 and name HB3 ))
ASSI { 4}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 9 and name HN ))
4.400 2.400 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.66483E-03 ppm1 1.321 ppm2 7.617 CV 1
ASSI { 5}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.85882E-02 ppm1 1.321 ppm2 3.912 CV 1
ASSI { 6}
( segid " " and resid 10 and name HB% )
( segid " " and resid 16 and name HD1%)
2.200 0.600 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.90442E-02 ppm1 1.322 ppm2 0.644 CV 1
ASSI { 7}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 88 and name HB2 ))
3.900 1.900 1.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.75878E-03 ppm1 1.323 ppm2 2.085 CV 1
OR { 7}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 88 and name HG3 ))
ASSI { 8}
( segid " " and resid 10 and name HB% )
( segid " " and resid 7 and name HD1%)
2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.45996E-02 ppm1 1.324 ppm2 0.445 CV 1
ASSI { 11}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 9 and name HB3 ))
2.700 2.700 3.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.61858E-02 ppm1 1.325 ppm2 1.478 CV 1
ASSI { 12}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 93 and name HG12))
3.400 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.13158E-02 ppm1 1.325 ppm2 0.876 CV 1
OR { 12}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 93 and name HG13))
ASSI { 13}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 91 and name HA ))
4.000 2.000 2.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 1.325 ppm2 5.682 CV 1
ASSI { 14}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 16 and name HG13))
3.000 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.21231E-02 ppm1 1.327 ppm2 1.048 CV 1
OR { 14}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 16 and name HG12))
ASSI { 15}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 20 and name HA ))
2.300 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.86529E-02 ppm1 1.516 ppm2 3.834 CV 1
ASSI { 16}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 81 and name HB2 ))
3.000 1.100 1.100 peak 16 spectrum 1 weight 0.10000E+01 volume 0.23239E-02 ppm1 1.516 ppm2 3.933 CV 1
OR { 16}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 81 and name HB3 ))
ASSI { 20}
( segid " " and resid 20 and name HB% )
( segid " " and resid 82 and name HB% )
2.600 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.62429E-02 ppm1 1.519 ppm2 1.151 CV 1
ASSI { 21}
( segid " " and resid 20 and name HB% )
( segid " " and resid 45 and name HG2%)
2.200 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.11537E-01 ppm1 1.519 ppm2 0.820 CV 1
OR { 21}
( segid " " and resid 20 and name HB% )
( segid " " and resid 45 and name HD1%)
ASSI { 24}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 29 and name HN ))
3.300 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.12123E-02 ppm1 3.887 ppm2 7.834 CV 1
ASSI { 25}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 52 and name HB2 ))
2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.21946E-02 ppm1 1.402 ppm2 2.776 CV 1
OR { 25}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 52 and name HB3 ))
ASSI { 26}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 52 and name HB3 ))
2.900 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.23283E-02 ppm1 1.402 ppm2 2.685 CV 1
ASSI { 27}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 53 and name HN ))
3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 1.403 ppm2 9.027 CV 1
ASSI { 29}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 24 and name HA ))
2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.55751E-02 ppm1 1.404 ppm2 3.454 CV 1
ASSI { 30}
( segid " " and resid 27 and name HB% )
( segid " " and resid 35 and name HD1%)
2.100 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.96813E-02 ppm1 1.404 ppm2 0.709 CV 1
ASSI { 31}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 53 and name HA ))
2.800 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.27729E-02 ppm1 1.405 ppm2 4.012 CV 1
ASSI { 34}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 27 and name HA ))
2.200 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.80734E-02 ppm1 1.405 ppm2 3.896 CV 1
ASSI { 36}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 85 and name HN ))
3.300 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.11096E-02 ppm1 0.967 ppm2 9.021 CV 1
ASSI { 38}
( segid " " and resid 32 and name HB% )
( segid " " and resid 86 and name HG2%)
2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.29947E-02 ppm1 0.968 ppm2 0.558 CV 1
ASSI { 40}
( segid " " and resid 32 and name HB% )
( segid " " and resid 35 and name HD1%)
2.500 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.64213E-02 ppm1 0.968 ppm2 0.712 CV 1
ASSI { 41}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 23 and name HA ))
3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.14589E-02 ppm1 0.968 ppm2 3.949 CV 1
ASSI { 42}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 86 and name HA ))
3.300 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.23411E-02 ppm1 0.968 ppm2 3.795 CV 1
ASSI { 43}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.34254E-02 ppm1 0.969 ppm2 8.481 CV 1
ASSI { 44}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 32 and name HA ))
2.200 0.600 0.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.82804E-02 ppm1 0.969 ppm2 4.624 CV 1
ASSI { 45}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 26 and name HB3 ))
3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15732E-02 ppm1 0.969 ppm2 2.753 CV 1
OR { 45}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 26 and name HB2 ))
ASSI { 47}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 26 and name HB3 ))
2.500 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.32871E-02 ppm1 0.970 ppm2 2.413 CV 1
ASSI { 48}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 40 and name HN ))
2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.22456E-02 ppm1 1.564 ppm2 7.708 CV 1
ASSI { 49}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 39 and name HN ))
3.000 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.21188E-02 ppm1 1.565 ppm2 8.207 CV 1
ASSI { 50}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 67 and name HN ))
2.900 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.16410E-02 ppm1 1.566 ppm2 9.651 CV 1
ASSI { 51}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 81 and name HA ))
2.600 0.800 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.36810E-02 ppm1 1.567 ppm2 4.341 CV 1
ASSI { 52}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 41 and name HN ))
2.900 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.19253E-02 ppm1 1.567 ppm2 7.266 CV 1
ASSI { 53}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 67 and name HB3 ))
2.900 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.27071E-02 ppm1 1.568 ppm2 3.664 CV 1
OR { 53}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 67 and name HB2 ))
ASSI { 54}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 38 and name HA ))
2.300 0.600 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.44893E-02 ppm1 1.568 ppm2 4.580 CV 1
ASSI { 55}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 38 and name HN ))
2.300 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.52563E-02 ppm1 1.568 ppm2 8.604 CV 1
ASSI { 58}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 37 and name HA ))
4.400 2.400 1.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.93272E-03 ppm1 1.570 ppm2 4.955 CV 1
ASSI { 59}
( segid " " and resid 38 and name HB% )
( segid " " and resid 80 and name HG1%)
3.800 1.800 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.82416E-03 ppm1 1.571 ppm2 0.762 CV 1
ASSI { 60}
( segid " " and resid 38 and name HB% )
( segid " " and resid 70 and name HD2%)
2.500 0.800 0.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.36467E-02 ppm1 1.573 ppm2 0.544 CV 1
ASSI { 61}
( segid " " and resid 38 and name HB% )
( segid " " and resid 37 and name HG2%)
4.000 2.000 2.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 1.573 ppm2 0.928 CV 1
OR { 61}
( segid " " and resid 38 and name HB% )
( segid " " and resid 37 and name HG1%)
ASSI { 65}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 63 and name HB3 ))
4.100 2.100 1.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.79451E-03 ppm1 1.576 ppm2 2.565 CV 1
OR { 65}
( segid " " and resid 38 and name HB% )
(( segid " " and resid 63 and name HB2 ))
ASSI { 68}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 7 and name HB3 ))
3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 3.625 ppm2 1.303 CV 1
OR { 68}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 69}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 73 and name HD2%)
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.14340E-02 ppm1 3.625 ppm2 0.883 CV 1
OR { 69}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 73 and name HD1%)
ASSI { 70}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 5 and name HB2 ))
3.800 1.800 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 1.516 ppm2 3.187 CV 1
OR { 70}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 5 and name HB3 ))
ASSI { 71}
( segid " " and resid 4 and name HB% )
( segid " " and resid 73 and name HD1%)
2.600 0.900 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.53923E-02 ppm1 1.519 ppm2 0.885 CV 1
ASSI { 73}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 6 and name HB2 ))
3.500 3.500 2.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.23224E-02 ppm1 1.523 ppm2 1.699 CV 1
OR { 73}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 6 and name HB3 ))
ASSI { 75}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 4 and name HA ))
2.300 0.600 0.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.77538E-02 ppm1 1.526 ppm2 3.627 CV 1
ASSI { 79}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 46 and name HN ))
3.900 1.900 1.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.68493E-03 ppm1 1.373 ppm2 7.742 CV 1
ASSI { 80}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 37 and name HA ))
3.700 1.700 1.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10797E-02 ppm1 1.374 ppm2 4.944 CV 1
ASSI { 81}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 81 and name HA ))
3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.16788E-02 ppm1 1.374 ppm2 4.331 CV 1
ASSI { 82}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 46 and name HE3 ))
3.100 1.200 1.200 peak 82 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 1.375 ppm2 2.954 CV 1
ASSI { 83}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 42 and name HN ))
2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.43239E-02 ppm1 1.379 ppm2 8.412 CV 1
ASSI { 85}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 38 and name HN ))
3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.14773E-02 ppm1 1.380 ppm2 8.601 CV 1
ASSI { 86}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 45 and name HB ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.18076E-02 ppm1 1.380 ppm2 2.098 CV 1
ASSI { 87}
( segid " " and resid 41 and name HB% )
( segid " " and resid 82 and name HB% )
2.900 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.23694E-02 ppm1 1.380 ppm2 1.114 CV 1
ASSI { 88}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 81 and name HB2 ))
2.700 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.36374E-02 ppm1 1.381 ppm2 3.913 CV 1
OR { 88}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 81 and name HB3 ))
ASSI { 89}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 38 and name HA ))
3.300 1.400 1.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.13618E-02 ppm1 1.381 ppm2 4.628 CV 1
ASSI { 90}
( segid " " and resid 41 and name HB% )
( segid " " and resid 45 and name HG2%)
2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.48499E-02 ppm1 1.383 ppm2 0.827 CV 1
ASSI { 91}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 41 and name HA ))
2.200 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.95304E-02 ppm1 1.384 ppm2 4.220 CV 1
ASSI { 92}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 37 and name HB ))
2.900 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18245E-02 ppm1 1.384 ppm2 1.875 CV 1
ASSI { 94}
( segid " " and resid 41 and name HB% )
( segid " " and resid 37 and name HG1%)
2.600 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.82572E-02 ppm1 1.388 ppm2 0.937 CV 1
OR { 94}
( segid " " and resid 41 and name HB% )
( segid " " and resid 37 and name HG2%)
ASSI { 95}
( segid " " and resid 41 and name HB% )
( segid " " and resid 38 and name HB% )
2.300 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.97886E-02 ppm1 1.388 ppm2 1.538 CV 1
ASSI { 98}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 50 and name HA ))
2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.27376E-02 ppm1 1.491 ppm2 3.851 CV 1
ASSI { 99}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 58 and name HG13))
3.800 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.18223E-02 ppm1 1.491 ppm2 1.097 CV 1
OR { 99}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 58 and name HG12))
ASSI { 100}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 53 and name HA ))
2.300 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.61179E-02 ppm1 1.492 ppm2 4.015 CV 1
ASSI { 102}
( segid " " and resid 53 and name HB% )
( segid " " and resid 58 and name HD1%)
3.400 1.400 1.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.19380E-02 ppm1 1.492 ppm2 0.876 CV 1
ASSI { 103}
( segid " " and resid 53 and name HB% )
( segid " " and resid 60 and name HG2%)
2.100 0.500 0.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12356E-01 ppm1 1.494 ppm2 0.728 CV 1
ASSI { 107}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 82 and name HB% )
2.400 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.44040E-02 ppm1 5.200 ppm2 1.136 CV 1
ASSI { 109}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 37 and name HA ))
2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.36067E-02 ppm1 5.205 ppm2 4.956 CV 1
ASSI { 110}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 37 and name HA ))
2.900 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.24903E-02 ppm1 1.122 ppm2 4.954 CV 1
ASSI { 112}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 83 and name HN ))
3.000 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.32524E-02 ppm1 1.125 ppm2 9.134 CV 1
ASSI { 114}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 23 and name HB3 ))
3.300 1.400 1.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 1.129 ppm2 3.356 CV 1
OR { 114}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 23 and name HB2 ))
ASSI { 116}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 81 and name HB2 ))
2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.16043E-02 ppm1 1.130 ppm2 3.936 CV 1
OR { 116}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 81 and name HB3 ))
ASSI { 117}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 20 and name HA ))
2.400 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.56985E-02 ppm1 1.131 ppm2 3.842 CV 1
ASSI { 118}
( segid " " and resid 82 and name HB% )
( segid " " and resid 49 and name HD1%)
2.400 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.61696E-02 ppm1 1.132 ppm2 0.656 CV 1
ASSI { 119}
( segid " " and resid 82 and name HB% )
( segid " " and resid 37 and name HG1%)
2.300 0.700 0.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.65286E-02 ppm1 1.133 ppm2 0.935 CV 1
ASSI { 122}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 85 and name HN ))
2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.50558E-02 ppm1 5.089 ppm2 9.028 CV 1
ASSI { 123}
(( segid " " and resid 84 and name HA ))
( segid " " and resid 83 and name HD1%)
3.000 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.13753E-02 ppm1 5.090 ppm2 0.661 CV 1
ASSI { 124}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 35 and name HG12))
2.500 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.22699E-02 ppm1 0.938 ppm2 1.378 CV 1
ASSI { 126}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 86 and name HA ))
3.700 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.85224E-03 ppm1 0.939 ppm2 3.816 CV 1
ASSI { 128}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 17 and name HB ))
2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.33627E-02 ppm1 0.940 ppm2 1.681 CV 1
ASSI { 129}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 23 and name HA ))
2.500 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.44587E-02 ppm1 0.940 ppm2 3.961 CV 1
ASSI { 130}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 26 and name HB3 ))
3.700 1.700 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.80405E-03 ppm1 0.940 ppm2 2.422 CV 1
ASSI { 131}
( segid " " and resid 84 and name HB% )
( segid " " and resid 35 and name HD1%)
2.500 0.800 0.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.12037E-01 ppm1 0.940 ppm2 0.722 CV 1
ASSI { 132}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 17 and name HN ))
3.700 1.700 1.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.61119E-03 ppm1 0.941 ppm2 8.745 CV 1
ASSI { 134}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 84 and name HA ))
2.100 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.82664E-02 ppm1 0.941 ppm2 5.114 CV 1
ASSI { 136}
( segid " " and resid 84 and name HB% )
(( segid " " and resid 26 and name HB2 ))
3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.12546E-02 ppm1 0.941 ppm2 2.791 CV 1
ASSI { 140}
( segid " " and resid 95 and name HB% )
( segid " " and resid 1 and name HG2%)
2.300 2.300 3.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.32811E-02 ppm1 1.387 ppm2 0.773 CV 1
ASSI { 141}
( segid " " and resid 95 and name HB% )
(( segid " " and resid 96 and name HN ))
2.900 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.20552E-02 ppm1 1.395 ppm2 7.374 CV 1
ASSI { 142}
( segid " " and resid 95 and name HB% )
(( segid " " and resid 95 and name HA ))
2.300 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.91714E-02 ppm1 1.399 ppm2 4.185 CV 1
ASSI { 144}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.700 0.900 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.31509E-02 ppm1 4.734 ppm2 8.586 CV 1
ASSI { 145}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 47 and name HN ))
3.300 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.10881E-02 ppm1 4.298 ppm2 8.196 CV 1
ASSI { 146}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB3 ))
2.500 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.57977E-02 ppm1 4.301 ppm2 2.619 CV 1
OR { 146}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB2 ))
ASSI { 149}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 14 and name HA2 ))
3.100 3.100 2.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.32601E-02 ppm1 5.041 ppm2 4.213 CV 1
ASSI { 151}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB3 ))
2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.25304E-02 ppm1 5.041 ppm2 2.631 CV 1
OR { 151}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB2 ))
ASSI { 152}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 88 and name HD3 ))
2.500 0.800 0.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.30154E-02 ppm1 5.042 ppm2 3.148 CV 1
OR { 152}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 88 and name HD2 ))
ASSI { 156}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 60 and name HB ))
3.600 1.600 1.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.12209E-02 ppm1 3.831 ppm2 1.814 CV 1
ASSI { 159}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
3.300 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.12548E-02 ppm1 4.198 ppm2 1.712 CV 1
ASSI { 160}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HD3 ))
3.800 1.800 1.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.70552E-03 ppm1 4.199 ppm2 1.205 CV 1
OR { 160}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 161}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.32827E-02 ppm1 4.200 ppm2 1.518 CV 1
OR { 161}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 165}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.900 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 4.160 ppm2 2.580 CV 1
OR { 165}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB3 ))
ASSI { 166}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 3 and name HE% )
3.500 1.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.14591E-02 ppm1 4.160 ppm2 6.691 CV 1
ASSI { 167}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 61 and name HB3 ))
2.700 2.700 3.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.13451E-02 ppm1 4.163 ppm2 2.748 CV 1
OR { 167}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 61 and name HB2 ))
ASSI { 169}
(( segid " " and resid 14 and name HA1 ))
(( segid " " and resid 14 and name HA2 ))
2.000 0.500 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.65038E-02 ppm1 3.499 ppm2 4.228 CV 1
ASSI { 170}
(( segid " " and resid 14 and name HA2 ))
(( segid " " and resid 14 and name HN ))
2.600 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 3.501 ppm2 7.852 CV 1
ASSI { 171}
(( segid " " and resid 14 and name HA2 ))
(( segid " " and resid 15 and name HN ))
2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 4.207 ppm2 9.299 CV 1
ASSI { 174}
(( segid " " and resid 19 and name HA1 ))
(( segid " " and resid 19 and name HA2 ))
2.000 0.500 0.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.82508E-02 ppm1 4.174 ppm2 4.884 CV 1
ASSI { 178}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 19 and name HN ))
3.100 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.16415E-02 ppm1 4.871 ppm2 8.363 CV 1
ASSI { 182}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 30 and name HA1 ))
2.000 0.500 0.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.69587E-02 ppm1 4.328 ppm2 3.789 CV 1
ASSI { 187}
(( segid " " and resid 71 and name HA2 ))
(( segid " " and resid 71 and name HA1 ))
2.000 0.500 0.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.64127E-02 ppm1 4.109 ppm2 3.523 CV 1
ASSI { 188}
(( segid " " and resid 71 and name HA2 ))
( segid " " and resid 80 and name HG1%)
4.300 2.400 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.12733E-02 ppm1 4.112 ppm2 0.756 CV 1
ASSI { 191}
(( segid " " and resid 89 and name HA2 ))
(( segid " " and resid 90 and name HN ))
2.600 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.51903E-02 ppm1 3.608 ppm2 8.576 CV 1
ASSI { 193}
(( segid " " and resid 89 and name HA1 ))
(( segid " " and resid 89 and name HN ))
2.500 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.44138E-02 ppm1 3.610 ppm2 9.143 CV 1
ASSI { 194}
(( segid " " and resid 97 and name HA1 ))
(( segid " " and resid 97 and name HA2 ))
1.900 0.400 0.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.10995E-01 ppm1 3.753 ppm2 4.070 CV 1
ASSI { 198}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB3 ))
2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.54559E-02 ppm1 4.879 ppm2 3.243 CV 1
OR { 198}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB2 ))
ASSI { 201}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 86 and name HN ))
2.900 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12969E-02 ppm1 4.968 ppm2 8.294 CV 1
ASSI { 202}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB ))
3.100 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.11862E-02 ppm1 4.970 ppm2 1.723 CV 1
ASSI { 203}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 85 and name HA ))
2.700 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.18842E-02 ppm1 4.984 ppm2 3.953 CV 1
ASSI { 204}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 16 and name HG13))
3.100 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.17726E-02 ppm1 0.663 ppm2 1.020 CV 1
OR { 204}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 16 and name HG13))
OR { 204}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 16 and name HG12))
ASSI { 205}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 16 and name HA ))
2.600 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.30212E-02 ppm1 0.664 ppm2 4.999 CV 1
ASSI { 206}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 11 and name HA ))
4.300 2.300 1.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.70363E-03 ppm1 0.664 ppm2 3.742 CV 1
ASSI { 207}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 86 and name HB ))
3.800 1.800 1.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.17053E-02 ppm1 0.664 ppm2 1.609 CV 1
ASSI { 208}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 17 and name HN ))
2.700 0.900 0.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.25097E-02 ppm1 0.664 ppm2 8.753 CV 1
ASSI { 209}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 16 and name HG13))
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.36589E-02 ppm1 0.665 ppm2 1.317 CV 1
OR { 209}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 16 and name HG12))
ASSI { 210}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 16 and name HB ))
2.300 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.55239E-02 ppm1 0.665 ppm2 1.744 CV 1
ASSI { 212}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 85 and name HA ))
2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.26762E-02 ppm1 0.666 ppm2 3.939 CV 1
ASSI { 214}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB ))
2.900 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.23375E-02 ppm1 3.436 ppm2 1.805 CV 1
ASSI { 215}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.400 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.87601E-03 ppm1 3.443 ppm2 7.512 CV 1
ASSI { 216}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.16757E-02 ppm1 3.443 ppm2 8.303 CV 1
ASSI { 217}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 49 and name HD1%)
3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.20982E-02 ppm1 3.443 ppm2 0.672 CV 1
OR { 217}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 49 and name HG2%)
ASSI { 221}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 48 and name HB3 ))
2.900 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 0.966 ppm2 2.598 CV 1
ASSI { 225}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HA ))
3.400 1.500 1.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.23735E-02 ppm1 0.968 ppm2 3.457 CV 1
ASSI { 226}
( segid " " and resid 24 and name HD1%)
( segid " " and resid 49 and name HD1%)
3.000 1.100 1.100 peak 226 spectrum 1 weight 0.10000E+01 volume 0.31780E-02 ppm1 0.969 ppm2 0.676 CV 1
ASSI { 227}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HG13))
2.100 0.600 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.11474E-01 ppm1 0.970 ppm2 1.817 CV 1
OR { 227}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HB ))
ASSI { 228}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HG12))
1.900 0.500 0.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.21581E-01 ppm1 0.970 ppm2 0.817 CV 1
OR { 228}
( segid " " and resid 24 and name HD1%)
( segid " " and resid 24 and name HG2%)
ASSI { 230}
( segid " " and resid 24 and name HD1%)
( segid " " and resid 20 and name HB% )
3.500 1.500 1.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10542E-02 ppm1 0.971 ppm2 1.536 CV 1
ASSI { 231}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HN ))
3.800 1.800 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 0.971 ppm2 8.329 CV 1
ASSI { 232}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 48 and name HB2 ))
3.200 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 0.972 ppm2 2.919 CV 1
ASSI { 233}
( segid " " and resid 24 and name HG2%)
( segid " " and resid 24 and name HD1%)
2.300 0.600 0.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.86599E-02 ppm1 0.772 ppm2 0.974 CV 1
ASSI { 234}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HB2 ))
3.200 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.30438E-02 ppm1 0.773 ppm2 2.091 CV 1
OR { 234}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HB3 ))
ASSI { 235}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HB ))
2.300 0.600 0.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.67480E-02 ppm1 0.773 ppm2 1.816 CV 1
ASSI { 236}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HN ))
4.100 2.100 1.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.11865E-02 ppm1 0.773 ppm2 8.319 CV 1
ASSI { 237}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 28 and name HE3 ))
3.100 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 0.773 ppm2 2.369 CV 1
OR { 237}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 28 and name HE2 ))
ASSI { 238}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HA ))
2.600 0.800 0.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.38579E-02 ppm1 0.774 ppm2 3.459 CV 1
ASSI { 240}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HA ))
3.100 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.14826E-02 ppm1 0.775 ppm2 3.789 CV 1
ASSI { 242}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
2.300 0.600 0.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.43421E-02 ppm1 4.896 ppm2 9.018 CV 1
ASSI { 243}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG12))
3.000 1.100 1.100 peak 243 spectrum 1 weight 0.10000E+01 volume 0.94193E-03 ppm1 4.902 ppm2 1.357 CV 1
OR { 243}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG13))
ASSI { 244}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 36 and name HG2%)
4.000 2.000 2.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.13281E-02 ppm1 4.902 ppm2 1.044 CV 1
ASSI { 245}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 84 and name HA ))
2.400 0.700 0.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.25495E-02 ppm1 4.903 ppm2 5.089 CV 1
ASSI { 246}
( segid " " and resid 35 and name HD1%)
( segid " " and resid 53 and name HB% )
2.500 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.35990E-02 ppm1 0.690 ppm2 1.515 CV 1
ASSI { 248}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 35 and name HG12))
2.100 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.74180E-02 ppm1 0.692 ppm2 1.394 CV 1
ASSI { 249}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 84 and name HA ))
4.300 2.300 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.90172E-03 ppm1 0.692 ppm2 5.110 CV 1
ASSI { 251}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 35 and name HB ))
2.600 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.32560E-02 ppm1 0.693 ppm2 1.649 CV 1
ASSI { 255}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 27 and name HN ))
3.400 1.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 0.693 ppm2 8.250 CV 1
ASSI { 258}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 35 and name HG13))
2.100 0.500 0.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.85009E-02 ppm1 0.694 ppm2 1.040 CV 1
ASSI { 261}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 49 and name HB ))
4.100 2.100 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.81640E-03 ppm1 0.884 ppm2 1.887 CV 1
OR { 261}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 49 and name HG12))
ASSI { 262}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HG12))
2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.22360E-02 ppm1 0.884 ppm2 1.353 CV 1
OR { 262}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HG13))
ASSI { 263}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HA ))
2.500 0.800 0.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.41028E-02 ppm1 0.886 ppm2 4.909 CV 1
ASSI { 264}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HB ))
2.200 0.600 0.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.69221E-02 ppm1 0.886 ppm2 1.656 CV 1
ASSI { 266}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HG12))
2.300 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.93439E-02 ppm1 0.887 ppm2 1.034 CV 1
OR { 266}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HG13))
OR { 266}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HG13))
ASSI { 267}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 23 and name HA ))
3.500 1.500 1.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.12317E-02 ppm1 0.887 ppm2 3.909 CV 1
ASSI { 268}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 36 and name HN ))
2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.45576E-02 ppm1 0.888 ppm2 9.020 CV 1
ASSI { 269}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HN ))
3.900 1.900 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.99983E-03 ppm1 0.888 ppm2 8.576 CV 1
ASSI { 271}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 23 and name HB2 ))
3.000 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.16739E-02 ppm1 0.888 ppm2 3.344 CV 1
OR { 271}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 23 and name HB3 ))
ASSI { 274}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB ))
2.900 1.100 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 5.480 ppm2 1.581 CV 1
ASSI { 275}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.200 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.52543E-02 ppm1 5.481 ppm2 8.578 CV 1
ASSI { 277}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.10351E-02 ppm1 5.482 ppm2 9.037 CV 1
ASSI { 278}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG12))
2.800 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.14054E-02 ppm1 5.482 ppm2 1.242 CV 1
OR { 278}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG13))
ASSI { 281}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HB ))
2.200 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.72897E-02 ppm1 0.775 ppm2 1.565 CV 1
ASSI { 282}
( segid " " and resid 36 and name HD1%)
( segid " " and resid 63 and name HD% )
3.600 1.600 1.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.76115E-03 ppm1 0.775 ppm2 6.786 CV 1
ASSI { 284}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 61 and name HB3 ))
4.100 2.100 1.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.11021E-02 ppm1 0.775 ppm2 2.745 CV 1
OR { 284}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 61 and name HB2 ))
ASSI { 285}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HG12))
2.300 0.700 0.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.47781E-02 ppm1 0.776 ppm2 1.242 CV 1
OR { 285}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HG13))
ASSI { 289}
( segid " " and resid 36 and name HD1%)
( segid " " and resid 70 and name HD1%)
3.200 1.300 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.12515E-02 ppm1 0.778 ppm2 0.284 CV 1
ASSI { 290}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HA ))
2.600 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.30891E-02 ppm1 0.994 ppm2 5.501 CV 1
ASSI { 293}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 61 and name HE% )
3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.31533E-02 ppm1 0.996 ppm2 6.659 CV 1
ASSI { 294}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HA ))
3.600 1.600 1.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.59292E-03 ppm1 0.996 ppm2 4.947 CV 1
ASSI { 295}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 63 and name HA ))
3.400 1.500 1.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.63405E-03 ppm1 0.996 ppm2 4.177 CV 1
ASSI { 296}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 36 and name HD1%)
2.200 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.75198E-02 ppm1 0.996 ppm2 0.771 CV 1
ASSI { 301}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HN ))
2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.36673E-02 ppm1 0.997 ppm2 8.580 CV 1
ASSI { 302}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 70 and name HD1%)
3.000 1.100 1.100 peak 302 spectrum 1 weight 0.10000E+01 volume 0.17262E-02 ppm1 0.998 ppm2 0.322 CV 1
ASSI { 303}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 63 and name HB2 ))
3.000 1.100 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.83715E-03 ppm1 0.999 ppm2 2.580 CV 1
ASSI { 304}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HB ))
2.200 0.600 0.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.55131E-02 ppm1 1.000 ppm2 1.563 CV 1
ASSI { 305}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HG12))
2.800 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 1.000 ppm2 1.251 CV 1
OR { 305}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HG13))
ASSI { 306}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB ))
3.000 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 3.857 ppm2 2.089 CV 1
ASSI { 307}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 45 and name HD1%)
2.500 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.38302E-02 ppm1 3.858 ppm2 0.823 CV 1
OR { 307}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 45 and name HG2%)
ASSI { 309}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 48 and name HB2 ))
3.000 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.14158E-02 ppm1 3.858 ppm2 2.914 CV 1
OR { 309}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 311}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 82 and name HB% )
3.700 3.700 2.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 3.861 ppm2 1.154 CV 1
ASSI { 313}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 42 and name HB3 ))
2.700 2.700 3.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 0.832 ppm2 1.765 CV 1
ASSI { 314}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HA ))
2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.20684E-02 ppm1 0.836 ppm2 3.886 CV 1
ASSI { 315}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HB ))
3.300 1.400 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.28290E-02 ppm1 0.838 ppm2 2.089 CV 1
ASSI { 316}
( segid " " and resid 45 and name HD1%)
( segid " " and resid 24 and name HD1%)
2.300 0.700 0.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.73139E-02 ppm1 0.838 ppm2 0.974 CV 1
ASSI { 317}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HG12))
2.200 0.600 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.63653E-02 ppm1 0.839 ppm2 1.580 CV 1
ASSI { 318}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HG13))
2.100 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.97977E-02 ppm1 0.839 ppm2 1.163 CV 1
ASSI { 320}
( segid " " and resid 45 and name HG2%)
( segid " " and resid 49 and name HD1%)
2.000 0.500 0.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.15299E-01 ppm1 0.797 ppm2 0.661 CV 1
ASSI { 322}
( segid " " and resid 45 and name HG2%)
( segid " " and resid 82 and name HB% )
2.500 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.40531E-02 ppm1 0.801 ppm2 1.158 CV 1
ASSI { 323}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 45 and name HB ))
2.300 0.700 0.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.47759E-02 ppm1 0.802 ppm2 2.083 CV 1
ASSI { 324}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 45 and name HA ))
2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.51680E-02 ppm1 0.802 ppm2 3.892 CV 1
ASSI { 325}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 49 and name HG13))
3.000 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.15935E-02 ppm1 0.802 ppm2 1.896 CV 1
OR { 325}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 49 and name HG12))
ASSI { 328}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HG12))
2.800 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.23175E-02 ppm1 3.437 ppm2 1.921 CV 1
OR { 328}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB ))
OR { 328}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HG13))
ASSI { 331}
( segid " " and resid 49 and name HG2%)
( segid " " and resid 35 and name HG2%)
2.100 0.500 0.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.10179E-01 ppm1 0.718 ppm2 0.888 CV 1
ASSI { 332}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HB ))
2.200 0.600 0.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.81737E-02 ppm1 0.719 ppm2 1.927 CV 1
OR { 332}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HG12))
OR { 332}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HG13))
ASSI { 334}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HA ))
2.600 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.36707E-02 ppm1 0.720 ppm2 3.464 CV 1
ASSI { 335}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HN ))
3.900 1.900 1.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.13277E-02 ppm1 0.720 ppm2 8.353 CV 1
ASSI { 336}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 35 and name HB ))
3.300 1.300 1.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.16451E-02 ppm1 0.720 ppm2 1.649 CV 1
ASSI { 337}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 50 and name HA ))
3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13929E-02 ppm1 0.721 ppm2 3.852 CV 1
ASSI { 339}
( segid " " and resid 49 and name HG2%)
( segid " " and resid 53 and name HB% )
2.900 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.20223E-02 ppm1 0.721 ppm2 1.539 CV 1
ASSI { 340}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 32 and name HN ))
2.900 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 0.856 ppm2 6.898 CV 1
ASSI { 342}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 30 and name HN ))
3.500 1.500 1.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.80157E-03 ppm1 0.857 ppm2 8.012 CV 1
ASSI { 343}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HG12))
2.100 0.500 0.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.97422E-02 ppm1 0.857 ppm2 1.068 CV 1
OR { 343}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HG13))
ASSI { 344}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HB ))
2.100 0.600 0.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.10237E-01 ppm1 0.857 ppm2 1.496 CV 1
ASSI { 345}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 30 and name HA1 ))
2.500 0.800 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.29953E-02 ppm1 0.858 ppm2 3.809 CV 1
ASSI { 346}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 31 and name HN ))
3.500 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.66186E-03 ppm1 0.858 ppm2 8.367 CV 1
ASSI { 347}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HN ))
4.400 2.500 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.75263E-03 ppm1 0.858 ppm2 8.198 CV 1
ASSI { 349}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 53 and name HA ))
2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.36052E-02 ppm1 0.859 ppm2 4.024 CV 1
ASSI { 350}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 27 and name HA ))
2.200 0.600 0.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.70401E-02 ppm1 0.859 ppm2 3.913 CV 1
ASSI { 353}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 53 and name HA ))
4.200 2.200 1.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.75603E-03 ppm1 0.692 ppm2 4.016 CV 1
ASSI { 354}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 58 and name HD1%)
2.100 0.600 0.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.90242E-02 ppm1 0.692 ppm2 0.866 CV 1
ASSI { 355}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 34 and name HN ))
3.400 1.400 1.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.94538E-03 ppm1 0.692 ppm2 7.034 CV 1
ASSI { 356}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 34 and name HA ))
2.700 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.29065E-02 ppm1 0.693 ppm2 4.511 CV 1
ASSI { 357}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 35 and name HG13))
2.400 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.34828E-02 ppm1 0.693 ppm2 1.361 CV 1
OR { 357}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 35 and name HG12))
ASSI { 358}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HB ))
2.100 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.89019E-02 ppm1 0.693 ppm2 1.478 CV 1
ASSI { 359}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 35 and name HN ))
3.100 1.200 1.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.14311E-02 ppm1 0.693 ppm2 8.633 CV 1
ASSI { 361}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HG12))
2.500 0.800 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.46078E-02 ppm1 0.694 ppm2 1.054 CV 1
OR { 361}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HG13))
ASSI { 362}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 59 and name HD2 ))
2.400 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.46549E-02 ppm1 0.694 ppm2 3.858 CV 1
OR { 362}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 59 and name HD3 ))
ASSI { 363}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HA ))
2.400 0.700 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.48164E-02 ppm1 0.694 ppm2 4.388 CV 1
ASSI { 365}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 35 and name HB ))
3.300 1.400 1.400 peak 365 spectrum 1 weight 0.10000E+01 volume 0.12922E-02 ppm1 0.695 ppm2 1.644 CV 1
ASSI { 366}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 34 and name HD2%)
3.600 1.600 1.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.16920E-02 ppm1 3.581 ppm2 0.659 CV 1
ASSI { 367}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 6 and name HB3 ))
3.200 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.10881E-02 ppm1 3.584 ppm2 1.710 CV 1
OR { 367}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 368}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HB ))
2.500 0.800 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.35236E-02 ppm1 3.585 ppm2 1.527 CV 1
ASSI { 371}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HG13))
3.100 1.200 1.200 peak 371 spectrum 1 weight 0.10000E+01 volume 0.20575E-02 ppm1 3.591 ppm2 1.270 CV 1
OR { 371}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HG13))
OR { 371}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HG12))
ASSI { 372}
( segid " " and resid 93 and name HD1%)
(( segid " " and resid 7 and name HN ))
3.300 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.42962E-03 ppm1 0.403 ppm2 8.633 CV 1
ASSI { 373}
( segid " " and resid 93 and name HD1%)
(( segid " " and resid 93 and name HA ))
2.300 0.700 0.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.62984E-02 ppm1 0.407 ppm2 3.612 CV 1
ASSI { 374}
( segid " " and resid 93 and name HD1%)
( segid " " and resid 36 and name HD1%)
2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 0.407 ppm2 0.780 CV 1
ASSI { 375}
( segid " " and resid 93 and name HD1%)
(( segid " " and resid 93 and name HB ))
2.600 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.38966E-02 ppm1 0.409 ppm2 1.525 CV 1
ASSI { 376}
( segid " " and resid 93 and name HD1%)
( segid " " and resid 93 and name HG2%)
3.200 1.300 1.300 peak 376 spectrum 1 weight 0.10000E+01 volume 0.52130E-02 ppm1 0.409 ppm2 0.606 CV 1
ASSI { 377}
( segid " " and resid 93 and name HD1%)
(( segid " " and resid 93 and name HG12))
2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.20752E-02 ppm1 0.409 ppm2 0.877 CV 1
ASSI { 378}
( segid " " and resid 93 and name HD1%)
(( segid " " and resid 93 and name HG13))
2.600 0.800 0.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.30117E-02 ppm1 0.411 ppm2 1.277 CV 1
ASSI { 379}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 93 and name HG12))
2.600 0.800 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28795E-02 ppm1 0.610 ppm2 0.881 CV 1
OR { 379}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 93 and name HG13))
ASSI { 380}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 93 and name HB ))
2.300 0.700 0.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.52056E-02 ppm1 0.610 ppm2 1.537 CV 1
ASSI { 381}
( segid " " and resid 93 and name HG2%)
( segid " " and resid 10 and name HB% )
2.600 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.35635E-02 ppm1 0.611 ppm2 1.315 CV 1
ASSI { 382}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 94 and name HB2 ))
3.200 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.51689E-02 ppm1 0.611 ppm2 1.641 CV 1
OR { 382}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 94 and name HB3 ))
ASSI { 383}
( segid " " and resid 93 and name HG2%)
( segid " " and resid 85 and name HG1%)
2.000 0.500 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.12486E-01 ppm1 0.611 ppm2 0.490 CV 1
ASSI { 384}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 94 and name HN ))
2.400 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.33845E-02 ppm1 0.613 ppm2 8.318 CV 1
ASSI { 385}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 88 and name HA ))
2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.22479E-02 ppm1 0.613 ppm2 3.947 CV 1
ASSI { 386}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 93 and name HA ))
3.300 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.20894E-02 ppm1 0.614 ppm2 3.623 CV 1
ASSI { 387}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 85 and name HB ))
3.100 1.200 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.23936E-02 ppm1 0.614 ppm2 2.059 CV 1
ASSI { 388}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 93 and name HN ))
2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.38771E-02 ppm1 0.615 ppm2 7.568 CV 1
ASSI { 389}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 91 and name HA ))
2.700 2.700 3.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.14489E-02 ppm1 0.616 ppm2 5.686 CV 1
ASSI { 391}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 52 and name HB3 ))
3.000 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10809E-02 ppm1 3.802 ppm2 2.650 CV 1
ASSI { 392}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
3.000 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.17591E-02 ppm1 3.802 ppm2 1.330 CV 1
ASSI { 394}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.400 0.700 0.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.47717E-02 ppm1 3.807 ppm2 1.507 CV 1
ASSI { 395}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
3.500 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.92673E-03 ppm1 3.637 ppm2 8.207 CV 1
ASSI { 397}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 45 and name HG2%)
3.200 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 3.637 ppm2 0.822 CV 1
ASSI { 398}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 49 and name HD1%)
3.300 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.11479E-02 ppm1 3.637 ppm2 0.660 CV 1
ASSI { 399}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HG2 ))
3.000 1.100 1.100 peak 399 spectrum 1 weight 0.10000E+01 volume 0.11689E-02 ppm1 3.639 ppm2 1.396 CV 1
ASSI { 400}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB3 ))
2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.30063E-02 ppm1 3.640 ppm2 1.887 CV 1
OR { 400}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB2 ))
ASSI { 401}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB3 ))
2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.18756E-02 ppm1 3.640 ppm2 1.760 CV 1
ASSI { 402}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HG3 ))
3.200 1.300 1.300 peak 402 spectrum 1 weight 0.10000E+01 volume 0.14550E-02 ppm1 3.642 ppm2 1.198 CV 1
ASSI { 403}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 61 and name HN ))
3.300 1.300 1.300 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 0.801 ppm2 9.243 CV 1
ASSI { 404}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 35 and name HN ))
2.400 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.49788E-02 ppm1 0.802 ppm2 8.614 CV 1
ASSI { 405}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 94 and name HB3 ))
3.500 3.500 2.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 0.802 ppm2 1.539 CV 1
ASSI { 406}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 61 and name HB2 ))
2.400 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.45412E-02 ppm1 0.803 ppm2 2.756 CV 1
OR { 406}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 61 and name HB3 ))
ASSI { 407}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 59 and name HB2 ))
2.400 0.700 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.45652E-02 ppm1 0.803 ppm2 1.820 CV 1
OR { 407}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 59 and name HB3 ))
ASSI { 408}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HG ))
2.300 0.600 0.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.58586E-02 ppm1 0.803 ppm2 1.312 CV 1
ASSI { 409}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HA ))
2.200 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.60613E-02 ppm1 0.803 ppm2 4.511 CV 1
ASSI { 410}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 34 and name HD2%)
1.900 0.500 0.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.18617E-01 ppm1 0.803 ppm2 0.658 CV 1
ASSI { 411}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 94 and name HA ))
3.200 1.300 1.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.19656E-02 ppm1 0.803 ppm2 4.028 CV 1
ASSI { 414}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HB2 ))
2.500 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.52103E-02 ppm1 0.804 ppm2 1.698 CV 1
OR { 414}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HB3 ))
ASSI { 416}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 60 and name HA ))
2.800 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.23285E-02 ppm1 0.804 ppm2 4.949 CV 1
ASSI { 417}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 59 and name HG2 ))
3.500 1.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.80260E-03 ppm1 0.805 ppm2 2.003 CV 1
OR { 417}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 59 and name HG3 ))
ASSI { 419}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 94 and name HA ))
3.000 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.12908E-02 ppm1 0.635 ppm2 4.016 CV 1
ASSI { 420}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HB3 ))
2.700 0.900 0.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.22915E-02 ppm1 0.635 ppm2 1.673 CV 1
OR { 420}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HB2 ))
ASSI { 421}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HA ))
4.500 2.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.71937E-03 ppm1 0.636 ppm2 4.526 CV 1
ASSI { 422}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HG ))
2.300 0.700 0.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.51704E-02 ppm1 0.637 ppm2 1.307 CV 1
ASSI { 423}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 94 and name HG ))
3.600 1.700 1.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.11963E-02 ppm1 0.637 ppm2 1.486 CV 1
ASSI { 424}
( segid " " and resid 34 and name HD2%)
( segid " " and resid 36 and name HG2%)
3.500 1.600 1.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.23570E-02 ppm1 0.637 ppm2 1.044 CV 1
ASSI { 426}
(( segid " " and resid 55 and name HA ))
( segid " " and resid 55 and name HD2%)
2.600 0.800 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.35110E-02 ppm1 4.004 ppm2 0.714 CV 1
ASSI { 427}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HN ))
3.100 1.200 1.200 peak 427 spectrum 1 weight 0.10000E+01 volume 0.12838E-02 ppm1 4.005 ppm2 7.279 CV 1
ASSI { 428}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB3 ))
3.100 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 4.008 ppm2 1.818 CV 1
OR { 428}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB2 ))
ASSI { 429}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HG ))
2.900 1.000 1.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.33800E-02 ppm1 4.009 ppm2 1.510 CV 1
ASSI { 434}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 52 and name HA ))
2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.27009E-02 ppm1 0.585 ppm2 4.022 CV 1
ASSI { 435}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HB2 ))
2.800 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.25565E-02 ppm1 0.585 ppm2 1.808 CV 1
OR { 435}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HB3 ))
ASSI { 436}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HG ))
2.600 0.900 0.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.29229E-02 ppm1 0.586 ppm2 1.518 CV 1
ASSI { 439}
( segid " " and resid 55 and name HD2%)
(( segid " " and resid 55 and name HG ))
2.300 0.600 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.69280E-02 ppm1 0.694 ppm2 1.487 CV 1
ASSI { 442}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HD1%)
2.300 0.700 0.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.52304E-02 ppm1 3.594 ppm2 0.435 CV 1
ASSI { 444}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
3.000 1.100 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 3.596 ppm2 0.575 CV 1
OR { 444}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
ASSI { 445}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 36 and name HB ))
4.100 2.100 1.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.76621E-03 ppm1 0.418 ppm2 1.500 CV 1
ASSI { 446}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 83 and name HG ))
3.800 1.800 1.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.11194E-02 ppm1 0.418 ppm2 1.591 CV 1
ASSI { 447}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 7 and name HB2 ))
2.600 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.28281E-02 ppm1 0.419 ppm2 1.316 CV 1
ASSI { 448}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 7 and name HG ))
2.500 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.38405E-02 ppm1 0.421 ppm2 1.170 CV 1
ASSI { 452}
( segid " " and resid 7 and name HD2%)
( segid " " and resid 3 and name HE% )
3.000 1.200 1.200 peak 452 spectrum 1 weight 0.10000E+01 volume 0.13736E-02 ppm1 0.443 ppm2 6.673 CV 1
ASSI { 453}
( segid " " and resid 7 and name HD2%)
(( segid " " and resid 74 and name HG ))
3.200 1.300 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.14134E-02 ppm1 0.443 ppm2 1.609 CV 1
ASSI { 454}
( segid " " and resid 7 and name HD2%)
(( segid " " and resid 7 and name HG ))
2.000 0.500 0.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.12240E-01 ppm1 0.444 ppm2 1.178 CV 1
ASSI { 459}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB3 ))
3.100 1.200 1.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 3.782 ppm2 1.352 CV 1
ASSI { 461}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB2 ))
3.200 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.76077E-03 ppm1 3.787 ppm2 2.322 CV 1
OR { 461}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB3 ))
ASSI { 462}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 73 and name HB3 ))
3.100 1.200 1.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 3.789 ppm2 1.910 CV 1
OR { 462}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 73 and name HB2 ))
ASSI { 463}
( segid " " and resid 70 and name HD1%)
( segid " " and resid 73 and name HD1%)
3.100 1.200 1.200 peak 463 spectrum 1 weight 0.10000E+01 volume 0.27448E-02 ppm1 0.299 ppm2 0.888 CV 1
OR { 463}
( segid " " and resid 70 and name HD1%)
( segid " " and resid 73 and name HD2%)
ASSI { 465}
( segid " " and resid 70 and name HD1%)
(( segid " " and resid 70 and name HA ))
2.200 0.600 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.60144E-02 ppm1 0.302 ppm2 3.801 CV 1
ASSI { 466}
( segid " " and resid 70 and name HD1%)
( segid " " and resid 70 and name HD2%)
2.200 0.600 0.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.86647E-02 ppm1 0.302 ppm2 0.540 CV 1
ASSI { 467}
( segid " " and resid 70 and name HD1%)
(( segid " " and resid 70 and name HB2 ))
3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.91741E-03 ppm1 0.303 ppm2 2.312 CV 1
ASSI { 469}
( segid " " and resid 70 and name HD1%)
(( segid " " and resid 70 and name HB2 ))
3.000 1.200 1.200 peak 469 spectrum 1 weight 0.10000E+01 volume 0.14398E-02 ppm1 0.306 ppm2 1.399 CV 1
OR { 469}
( segid " " and resid 70 and name HD1%)
(( segid " " and resid 70 and name HB3 ))
ASSI { 471}
( segid " " and resid 70 and name HD1%)
(( segid " " and resid 73 and name HB3 ))
3.400 1.400 1.400 peak 471 spectrum 1 weight 0.10000E+01 volume 0.10984E-02 ppm1 0.307 ppm2 1.925 CV 1
OR { 471}
( segid " " and resid 70 and name HD1%)
(( segid " " and resid 73 and name HB2 ))
ASSI { 472}
( segid " " and resid 70 and name HD1%)
(( segid " " and resid 70 and name HG ))
2.300 0.600 0.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.50058E-02 ppm1 0.308 ppm2 1.272 CV 1
ASSI { 477}
( segid " " and resid 70 and name HD2%)
(( segid " " and resid 70 and name HB3 ))
2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.18696E-02 ppm1 0.528 ppm2 2.284 CV 1
OR { 477}
( segid " " and resid 70 and name HD2%)
(( segid " " and resid 70 and name HB2 ))
ASSI { 479}
( segid " " and resid 70 and name HD2%)
(( segid " " and resid 38 and name HA ))
3.300 1.300 1.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10379E-02 ppm1 0.529 ppm2 4.595 CV 1
ASSI { 480}
( segid " " and resid 70 and name HD2%)
(( segid " " and resid 70 and name HB3 ))
2.700 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.18372E-02 ppm1 0.529 ppm2 1.368 CV 1
ASSI { 481}
( segid " " and resid 70 and name HD2%)
(( segid " " and resid 70 and name HA ))
4.100 2.100 1.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.13225E-02 ppm1 0.530 ppm2 3.801 CV 1
ASSI { 483}
( segid " " and resid 70 and name HD2%)
(( segid " " and resid 38 and name HN ))
3.300 1.300 1.300 peak 483 spectrum 1 weight 0.10000E+01 volume 0.10717E-02 ppm1 0.555 ppm2 8.631 CV 1
ASSI { 485}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 70 and name HA ))
3.800 1.800 1.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.98489E-03 ppm1 0.862 ppm2 3.803 CV 1
ASSI { 488}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 74 and name HN ))
3.600 1.600 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.81683E-03 ppm1 0.884 ppm2 7.230 CV 1
ASSI { 491}
( segid " " and resid 73 and name HD2%)
(( segid " " and resid 4 and name HA ))
3.500 1.600 1.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.80281E-03 ppm1 0.859 ppm2 3.633 CV 1
ASSI { 492}
( segid " " and resid 73 and name HD2%)
(( segid " " and resid 7 and name HB3 ))
2.800 2.800 3.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.20594E-02 ppm1 0.859 ppm2 0.541 CV 1
ASSI { 493}
( segid " " and resid 73 and name HD2%)
(( segid " " and resid 73 and name HG ))
2.800 1.000 1.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.21083E-02 ppm1 0.859 ppm2 1.899 CV 1
OR { 493}
( segid " " and resid 73 and name HD2%)
(( segid " " and resid 73 and name HB2 ))
ASSI { 494}
( segid " " and resid 73 and name HD2%)
( segid " " and resid 4 and name HB% )
2.500 0.800 0.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.45447E-02 ppm1 0.860 ppm2 1.532 CV 1
ASSI { 495}
( segid " " and resid 73 and name HD2%)
( segid " " and resid 7 and name HD2%)
3.000 3.000 3.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.21508E-02 ppm1 0.860 ppm2 0.438 CV 1
ASSI { 497}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB3 ))
2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.19928E-02 ppm1 4.187 ppm2 1.699 CV 1
OR { 497}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB2 ))
ASSI { 499}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 7 and name HD2%)
3.400 1.400 1.400 peak 499 spectrum 1 weight 0.10000E+01 volume 0.19977E-02 ppm1 0.702 ppm2 0.441 CV 1
ASSI { 502}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 18 and name HG3 ))
3.100 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.83257E-03 ppm1 0.707 ppm2 2.397 CV 1
ASSI { 504}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 74 and name HA ))
4.500 2.600 1.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.79920E-03 ppm1 0.710 ppm2 4.208 CV 1
ASSI { 505}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 74 and name HG ))
2.100 0.500 0.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.88367E-02 ppm1 0.711 ppm2 1.621 CV 1
ASSI { 506}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 70 and name HG ))
3.000 1.100 1.100 peak 506 spectrum 1 weight 0.10000E+01 volume 0.89897E-03 ppm1 0.713 ppm2 1.261 CV 1
ASSI { 508}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 71 and name HA1 ))
3.500 1.600 1.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.60618E-03 ppm1 0.718 ppm2 3.517 CV 1
ASSI { 509}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 70 and name HG ))
4.000 2.000 2.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.94463E-03 ppm1 0.555 ppm2 1.313 CV 1
ASSI { 510}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 8 and name HG2 ))
2.300 2.300 3.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.37574E-02 ppm1 0.556 ppm2 1.655 CV 1
OR { 510}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 8 and name HG3 ))
ASSI { 511}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 11 and name HB2 ))
3.300 1.400 1.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.84453E-03 ppm1 0.556 ppm2 2.251 CV 1
OR { 511}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 11 and name HB3 ))
ASSI { 512}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 11 and name HG2 ))
3.200 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 0.558 ppm2 2.120 CV 1
OR { 512}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 11 and name HG3 ))
ASSI { 514}
( segid " " and resid 74 and name HD2%)
(( segid " " and resid 74 and name HA ))
2.300 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.56521E-02 ppm1 0.562 ppm2 4.209 CV 1
ASSI { 515}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB3 ))
2.700 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.19602E-02 ppm1 4.721 ppm2 1.569 CV 1
OR { 515}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB2 ))
ASSI { 518}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 84 and name HN ))
3.000 1.200 1.200 peak 518 spectrum 1 weight 0.10000E+01 volume 0.18116E-02 ppm1 0.637 ppm2 9.015 CV 1
ASSI { 519}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 70 and name HG ))
3.600 1.600 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.27283E-02 ppm1 0.638 ppm2 1.325 CV 1
ASSI { 521}
( segid " " and resid 83 and name HD1%)
( segid " " and resid 7 and name HD1%)
2.200 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.84071E-02 ppm1 0.639 ppm2 0.460 CV 1
OR { 521}
( segid " " and resid 83 and name HD1%)
( segid " " and resid 7 and name HD2%)
ASSI { 522}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 83 and name HG ))
2.100 0.600 0.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.72433E-02 ppm1 0.640 ppm2 1.616 CV 1
ASSI { 524}
( segid " " and resid 83 and name HD2%)
(( segid " " and resid 83 and name HG ))
2.100 0.600 0.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.75560E-02 ppm1 0.719 ppm2 1.593 CV 1
ASSI { 526}
( segid " " and resid 83 and name HD2%)
( segid " " and resid 70 and name HD1%)
2.400 0.700 0.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.45412E-02 ppm1 0.720 ppm2 0.330 CV 1
ASSI { 528}
( segid " " and resid 83 and name HD2%)
( segid " " and resid 7 and name HD2%)
2.300 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.66763E-02 ppm1 0.721 ppm2 0.444 CV 1
ASSI { 530}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HB3 ))
2.800 1.000 1.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.23238E-02 ppm1 3.985 ppm2 1.639 CV 1
OR { 530}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HB2 ))
ASSI { 531}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HG ))
2.800 1.000 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 3.986 ppm2 1.482 CV 1
ASSI { 533}
( segid " " and resid 94 and name HD1%)
( segid " " and resid 94 and name HD2%)
2.300 0.700 0.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.84804E-02 ppm1 0.830 ppm2 0.598 CV 1
ASSI { 534}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 94 and name HA ))
3.800 1.800 1.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.97956E-03 ppm1 0.830 ppm2 3.980 CV 1
ASSI { 535}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 94 and name HN ))
3.700 1.700 1.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 0.830 ppm2 8.302 CV 1
ASSI { 536}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 94 and name HG ))
2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.50548E-02 ppm1 0.831 ppm2 1.485 CV 1
ASSI { 537}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 94 and name HB3 ))
2.200 0.600 0.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.10381E-01 ppm1 0.831 ppm2 1.646 CV 1
OR { 537}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 94 and name HB2 ))
ASSI { 538}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 94 and name HN ))
3.400 1.400 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.10435E-02 ppm1 0.577 ppm2 8.316 CV 1
ASSI { 539}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 88 and name HD3 ))
3.300 1.400 1.400 peak 539 spectrum 1 weight 0.10000E+01 volume 0.85116E-03 ppm1 0.582 ppm2 3.123 CV 1
ASSI { 540}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 33 and name HB2 ))
3.000 1.100 1.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.29624E-02 ppm1 0.583 ppm2 1.924 CV 1
ASSI { 541}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 94 and name HG ))
2.500 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.36311E-02 ppm1 0.583 ppm2 1.491 CV 1
ASSI { 543}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 94 and name HB3 ))
2.400 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.89353E-02 ppm1 0.583 ppm2 1.651 CV 1
OR { 543}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 94 and name HB2 ))
ASSI { 545}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 88 and name HG3 ))
2.800 1.000 1.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 0.583 ppm2 2.086 CV 1
ASSI { 546}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 33 and name HB3 ))
2.600 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.23732E-02 ppm1 0.583 ppm2 1.292 CV 1
ASSI { 547}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 34 and name HB2 ))
2.800 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.22534E-02 ppm1 0.584 ppm2 1.045 CV 1
OR { 547}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 34 and name HB3 ))
ASSI { 548}
( segid " " and resid 94 and name HD2%)
(( segid " " and resid 94 and name HA ))
2.300 0.700 0.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.62532E-02 ppm1 0.588 ppm2 3.999 CV 1
ASSI { 550}
( segid " " and resid 96 and name HD1%)
(( segid " " and resid 93 and name HA ))
3.600 1.600 1.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.66693E-03 ppm1 0.500 ppm2 3.629 CV 1
ASSI { 552}
( segid " " and resid 96 and name HD1%)
(( segid " " and resid 96 and name HG ))
2.300 0.700 0.700 peak 552 spectrum 1 weight 0.10000E+01 volume 0.81785E-02 ppm1 0.500 ppm2 1.477 CV 1
OR { 552}
( segid " " and resid 96 and name HD1%)
(( segid " " and resid 96 and name HB2 ))
OR { 552}
( segid " " and resid 96 and name HD1%)
(( segid " " and resid 96 and name HB3 ))
ASSI { 554}
( segid " " and resid 96 and name HD1%)
( segid " " and resid 61 and name HD% )
2.600 2.600 3.400 peak 554 spectrum 1 weight 0.10000E+01 volume 0.16526E-02 ppm1 0.500 ppm2 7.015 CV 1
ASSI { 555}
( segid " " and resid 96 and name HD1%)
(( segid " " and resid 93 and name HG13))
3.400 1.400 1.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.10812E-02 ppm1 0.501 ppm2 1.257 CV 1
ASSI { 556}
( segid " " and resid 96 and name HD1%)
(( segid " " and resid 96 and name HB3 ))
3.300 1.400 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 0.502 ppm2 1.097 CV 1
ASSI { 557}
( segid " " and resid 96 and name HD2%)
(( segid " " and resid 96 and name HG ))
2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.47044E-02 ppm1 0.584 ppm2 1.493 CV 1
OR { 557}
( segid " " and resid 96 and name HD2%)
(( segid " " and resid 96 and name HB3 ))
OR { 557}
( segid " " and resid 96 and name HD2%)
(( segid " " and resid 96 and name HB2 ))
ASSI { 558}
( segid " " and resid 96 and name HD2%)
(( segid " " and resid 96 and name HB3 ))
3.000 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 0.586 ppm2 1.095 CV 1
ASSI { 560}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG3 ))
3.400 1.400 1.400 peak 560 spectrum 1 weight 0.10000E+01 volume 0.88868E-03 ppm1 4.425 ppm2 2.372 CV 1
ASSI { 561}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 83 and name HG ))
3.800 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.13655E-02 ppm1 4.425 ppm2 1.600 CV 1
ASSI { 565}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.28918E-02 ppm1 4.904 ppm2 3.200 CV 1
OR { 565}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
ASSI { 566}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
2.900 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.27564E-02 ppm1 4.905 ppm2 2.559 CV 1
ASSI { 568}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB3 ))
2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.24519E-02 ppm1 4.074 ppm2 2.420 CV 1
OR { 568}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 570}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HB2 ))
3.000 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 4.078 ppm2 1.710 CV 1
OR { 570}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HB3 ))
ASSI { 571}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HB2 ))
3.100 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.98031E-03 ppm1 4.079 ppm2 1.864 CV 1
ASSI { 572}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB3 ))
2.900 1.000 1.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 4.364 ppm2 1.809 CV 1
ASSI { 573}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
3.000 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.26380E-02 ppm1 4.369 ppm2 2.299 CV 1
ASSI { 575}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 94 and name HN ))
4.100 2.100 1.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.99794E-03 ppm1 3.900 ppm2 8.354 CV 1
ASSI { 576}
(( segid " " and resid 88 and name HA ))
( segid " " and resid 10 and name HB% )
3.200 1.200 1.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 3.917 ppm2 1.341 CV 1
ASSI { 577}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HB3 ))
2.500 0.800 0.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.33077E-02 ppm1 3.918 ppm2 1.645 CV 1
ASSI { 580}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HB3 ))
2.900 1.000 1.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.17890E-02 ppm1 3.936 ppm2 2.088 CV 1
OR { 580}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HB2 ))
ASSI { 583}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 16 and name HD1%)
3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.16316E-02 ppm1 3.713 ppm2 0.640 CV 1
ASSI { 584}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
2.800 1.000 1.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.28597E-02 ppm1 3.714 ppm2 1.749 CV 1
ASSI { 585}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG3 ))
3.200 1.300 1.300 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16471E-02 ppm1 3.715 ppm2 2.163 CV 1
OR { 585}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG2 ))
ASSI { 586}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 16 and name HG13))
3.100 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.11724E-02 ppm1 3.716 ppm2 1.314 CV 1
OR { 586}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 16 and name HG12))
ASSI { 587}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG3 ))
2.900 1.100 1.100 peak 587 spectrum 1 weight 0.10000E+01 volume 0.28577E-02 ppm1 3.718 ppm2 2.263 CV 1
ASSI { 590}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
2.600 0.800 0.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.41154E-02 ppm1 3.885 ppm2 1.818 CV 1
ASSI { 591}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
3.300 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.15798E-02 ppm1 3.887 ppm2 1.586 CV 1
OR { 591}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 592}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
2.500 0.800 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.44444E-02 ppm1 3.835 ppm2 1.747 CV 1
OR { 592}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 593}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 11 and name HB3 ))
3.100 1.200 1.200 peak 593 spectrum 1 weight 0.10000E+01 volume 0.13812E-02 ppm1 3.838 ppm2 2.227 CV 1
OR { 593}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 596}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.900 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.18888E-02 ppm1 3.966 ppm2 3.345 CV 1
OR { 596}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
ASSI { 597}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HB2 ))
3.200 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 3.968 ppm2 2.796 CV 1
OR { 597}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HB3 ))
ASSI { 599}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.200 1.300 1.300 peak 599 spectrum 1 weight 0.10000E+01 volume 0.94803E-03 ppm1 3.312 ppm2 8.000 CV 1
ASSI { 600}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 21 and name HA ))
2.600 2.600 3.400 peak 600 spectrum 1 weight 0.10000E+01 volume 0.62030E-02 ppm1 3.332 ppm2 3.884 CV 1
OR { 600}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 21 and name HA ))
ASSI { 602}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 84 and name HB% )
2.800 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 3.334 ppm2 0.925 CV 1
OR { 602}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 84 and name HB% )
ASSI { 605}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 49 and name HD1%)
3.100 1.200 1.200 peak 605 spectrum 1 weight 0.10000E+01 volume 0.15532E-02 ppm1 3.337 ppm2 0.646 CV 1
OR { 605}
(( segid " " and resid 23 and name HB3 ))
( segid " " and resid 49 and name HD1%)
ASSI { 606}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HA ))
2.800 1.000 1.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.29036E-02 ppm1 3.929 ppm2 4.485 CV 1
ASSI { 609}
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 53 and name HB% )
3.400 3.400 2.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.20704E-02 ppm1 3.938 ppm2 1.532 CV 1
ASSI { 610}
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 58 and name HD1%)
3.000 1.100 1.100 peak 610 spectrum 1 weight 0.10000E+01 volume 0.21036E-02 ppm1 3.939 ppm2 0.879 CV 1
ASSI { 613}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB3 ))
2.600 0.800 0.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.37923E-02 ppm1 4.325 ppm2 3.933 CV 1
OR { 613}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB2 ))
ASSI { 614}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 38 and name HN ))
3.500 1.500 1.500 peak 614 spectrum 1 weight 0.10000E+01 volume 0.78745E-03 ppm1 4.326 ppm2 8.633 CV 1
ASSI { 616}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 67 and name HB3 ))
2.900 1.000 1.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.21478E-02 ppm1 4.328 ppm2 3.675 CV 1
OR { 616}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 67 and name HB2 ))
ASSI { 617}
(( segid " " and resid 81 and name HB2 ))
( segid " " and resid 41 and name HB% )
2.800 1.000 1.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.26306E-02 ppm1 3.885 ppm2 1.383 CV 1
ASSI { 618}
(( segid " " and resid 81 and name HB3 ))
(( segid " " and resid 81 and name HN ))
2.900 1.100 1.100 peak 618 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 3.886 ppm2 9.317 CV 1
ASSI { 619}
(( segid " " and resid 81 and name HB2 ))
( segid " " and resid 38 and name HB% )
3.700 1.700 1.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 3.887 ppm2 1.561 CV 1
ASSI { 622}
(( segid " " and resid 91 and name HB3 ))
(( segid " " and resid 92 and name HN ))
3.200 1.300 1.300 peak 622 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 3.606 ppm2 9.446 CV 1
ASSI { 624}
(( segid " " and resid 91 and name HB2 ))
( segid " " and resid 93 and name HD1%)
4.000 2.000 2.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.64742E-03 ppm1 3.607 ppm2 0.402 CV 1
ASSI { 626}
(( segid " " and resid 91 and name HB2 ))
(( segid " " and resid 10 and name HA ))
3.300 1.300 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.12940E-02 ppm1 3.607 ppm2 3.912 CV 1
ASSI { 627}
(( segid " " and resid 91 and name HB3 ))
(( segid " " and resid 91 and name HA ))
2.600 0.800 0.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.32376E-02 ppm1 3.608 ppm2 5.692 CV 1
ASSI { 628}
(( segid " " and resid 91 and name HB3 ))
(( segid " " and resid 91 and name HN ))
3.200 1.300 1.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.19604E-02 ppm1 3.609 ppm2 7.792 CV 1
ASSI { 630}
(( segid " " and resid 91 and name HB2 ))
( segid " " and resid 10 and name HB% )
2.900 1.100 1.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.13992E-02 ppm1 3.612 ppm2 1.319 CV 1
ASSI { 631}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 90 and name HB3 ))
3.800 1.800 1.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.68073E-03 ppm1 4.382 ppm2 1.541 CV 1
ASSI { 634}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 90 and name HB2 ))
3.400 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 4.385 ppm2 2.237 CV 1
OR { 634}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 90 and name HG2 ))
ASSI { 635}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HA ))
2.700 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.31588E-02 ppm1 4.386 ppm2 4.697 CV 1
ASSI { 636}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 90 and name HB2 ))
2.900 1.000 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.26396E-02 ppm1 1.157 ppm2 2.239 CV 1
OR { 636}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 90 and name HG2 ))
ASSI { 637}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 90 and name HB3 ))
3.000 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.23097E-02 ppm1 1.160 ppm2 1.541 CV 1
ASSI { 638}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HN ))
2.900 1.000 1.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.34532E-02 ppm1 1.161 ppm2 7.858 CV 1
ASSI { 643}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HA ))
2.600 0.800 0.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.52449E-02 ppm1 1.163 ppm2 4.658 CV 1
ASSI { 644}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HB ))
2.400 0.700 0.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.65561E-02 ppm1 1.165 ppm2 4.406 CV 1
ASSI { 646}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 67 and name HN ))
2.700 0.900 0.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.25212E-02 ppm1 4.822 ppm2 9.660 CV 1
ASSI { 647}
(( segid " " and resid 66 and name HB ))
(( segid " " and resid 66 and name HA ))
2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.37129E-02 ppm1 4.824 ppm2 4.511 CV 1
ASSI { 649}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 66 and name HB ))
2.400 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.53240E-02 ppm1 1.237 ppm2 4.841 CV 1
ASSI { 650}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 66 and name HN ))
2.600 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.38534E-02 ppm1 1.238 ppm2 8.377 CV 1
ASSI { 652}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 69 and name HN ))
3.600 1.600 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.87935E-03 ppm1 1.240 ppm2 7.650 CV 1
ASSI { 653}
( segid " " and resid 66 and name HG2%)
(( segid " " and resid 66 and name HA ))
2.600 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.42512E-02 ppm1 1.243 ppm2 4.509 CV 1
ASSI { 656}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HN ))
3.600 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.75371E-03 ppm1 3.968 ppm2 8.316 CV 1
ASSI { 658}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB ))
2.800 1.000 1.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.32826E-02 ppm1 3.970 ppm2 4.237 CV 1
ASSI { 664}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 72 and name HA ))
2.500 0.800 0.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.58042E-02 ppm1 1.184 ppm2 3.998 CV 1
ASSI { 665}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 72 and name HB ))
2.400 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.65674E-02 ppm1 1.184 ppm2 4.246 CV 1
ASSI { 666}
( segid " " and resid 72 and name HG2%)
( segid " " and resid 73 and name HD2%)
3.200 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.27589E-02 ppm1 1.188 ppm2 0.880 CV 1
OR { 666}
( segid " " and resid 72 and name HG2%)
( segid " " and resid 73 and name HD1%)
ASSI { 667}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 72 and name HN ))
3.700 1.700 1.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 1.188 ppm2 8.135 CV 1
ASSI { 672}
(( segid " " and resid 79 and name HB ))
( segid " " and resid 79 and name HG2%)
2.600 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.31334E-02 ppm1 3.961 ppm2 1.225 CV 1
ASSI { 673}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 80 and name HN ))
3.000 1.100 1.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.22424E-02 ppm1 3.965 ppm2 7.922 CV 1
ASSI { 674}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 67 and name HB2 ))
2.700 0.900 0.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.30158E-02 ppm1 3.966 ppm2 3.681 CV 1
OR { 674}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 67 and name HB3 ))
ASSI { 675}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 68 and name HA ))
2.800 1.000 1.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.26516E-02 ppm1 3.967 ppm2 3.855 CV 1
ASSI { 677}
( segid " " and resid 79 and name HG2%)
( segid " " and resid 68 and name HG2%)
2.200 0.600 0.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.10580E-01 ppm1 1.214 ppm2 1.039 CV 1
ASSI { 678}
( segid " " and resid 79 and name HG2%)
( segid " " and resid 68 and name HG1%)
3.100 1.200 1.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.28520E-02 ppm1 1.215 ppm2 0.886 CV 1
ASSI { 680}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 68 and name HA ))
2.400 0.700 0.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.55260E-02 ppm1 1.216 ppm2 3.841 CV 1
ASSI { 681}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 79 and name HA ))
2.400 0.700 0.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.65976E-02 ppm1 1.216 ppm2 4.012 CV 1
ASSI { 682}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 67 and name HB2 ))
3.600 1.600 1.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.15584E-02 ppm1 1.216 ppm2 3.678 CV 1
OR { 682}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 67 and name HB3 ))
ASSI { 683}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 80 and name HN ))
4.100 2.100 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.12765E-02 ppm1 1.217 ppm2 7.927 CV 1
ASSI { 686}
(( segid " " and resid 1 and name HA ))
( segid " " and resid 1 and name HG2%)
3.200 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 4.187 ppm2 0.757 CV 1
OR { 686}
(( segid " " and resid 1 and name HA ))
( segid " " and resid 1 and name HG1%)
ASSI { 687}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 1 and name HB ))
3.100 1.200 1.200 peak 687 spectrum 1 weight 0.10000E+01 volume 0.14611E-02 ppm1 4.189 ppm2 2.018 CV 1
ASSI { 688}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HN ))
2.700 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.31955E-02 ppm1 4.192 ppm2 9.039 CV 1
ASSI { 689}
( segid " " and resid 1 and name HG1%)
(( segid " " and resid 1 and name HB ))
2.600 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.35985E-02 ppm1 0.747 ppm2 1.988 CV 1
ASSI { 691}
( segid " " and resid 1 and name HG1%)
(( segid " " and resid 1 and name HA ))
2.900 1.100 1.100 peak 691 spectrum 1 weight 0.10000E+01 volume 0.28055E-02 ppm1 0.748 ppm2 4.189 CV 1
ASSI { 693}
( segid " " and resid 1 and name HG1%)
(( segid " " and resid 2 and name HN ))
3.700 1.700 1.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.89137E-03 ppm1 0.750 ppm2 9.036 CV 1
ASSI { 694}
( segid " " and resid 1 and name HG2%)
(( segid " " and resid 1 and name HA ))
3.400 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 0.720 ppm2 4.211 CV 1
ASSI { 695}
( segid " " and resid 1 and name HG2%)
(( segid " " and resid 96 and name HG ))
3.000 3.000 3.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.76384E-03 ppm1 0.721 ppm2 1.518 CV 1
ASSI { 697}
( segid " " and resid 1 and name HG2%)
(( segid " " and resid 1 and name HB ))
2.800 1.000 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.25784E-02 ppm1 0.721 ppm2 2.034 CV 1
ASSI { 700}
( segid " " and resid 1 and name HG2%)
( segid " " and resid 96 and name HD2%)
2.400 2.400 3.600 peak 700 spectrum 1 weight 0.10000E+01 volume 0.92442E-02 ppm1 0.727 ppm2 0.602 CV 1
ASSI { 705}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HG2%)
2.800 1.000 1.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.21117E-02 ppm1 4.428 ppm2 0.603 CV 1
ASSI { 706}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB ))
2.900 1.100 1.100 peak 706 spectrum 1 weight 0.10000E+01 volume 0.19624E-02 ppm1 4.429 ppm2 1.692 CV 1
ASSI { 707}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HG2 ))
4.000 2.000 2.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10093E-02 ppm1 4.435 ppm2 2.415 CV 1
OR { 707}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HG3 ))
ASSI { 708}
( segid " " and resid 17 and name HG1%)
(( segid " " and resid 17 and name HA ))
2.600 0.900 0.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.36104E-02 ppm1 0.776 ppm2 4.450 CV 1
ASSI { 709}
( segid " " and resid 17 and name HG1%)
(( segid " " and resid 17 and name HB ))
2.200 0.600 0.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.90674E-02 ppm1 0.776 ppm2 1.691 CV 1
ASSI { 710}
( segid " " and resid 17 and name HG1%)
(( segid " " and resid 18 and name HN ))
3.200 1.200 1.200 peak 710 spectrum 1 weight 0.10000E+01 volume 0.14828E-02 ppm1 0.779 ppm2 8.905 CV 1
ASSI { 711}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.400 0.700 0.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.35071E-02 ppm1 4.945 ppm2 8.610 CV 1
ASSI { 712}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB ))
2.700 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.17067E-02 ppm1 4.951 ppm2 1.864 CV 1
ASSI { 714}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HG1%)
2.700 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.26887E-02 ppm1 4.955 ppm2 0.936 CV 1
OR { 714}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HG2%)
ASSI { 718}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 62 and name HA ))
2.600 0.900 0.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.27859E-02 ppm1 0.912 ppm2 4.620 CV 1
ASSI { 719}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 46 and name HG2 ))
2.600 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.39381E-02 ppm1 0.912 ppm2 1.426 CV 1
OR { 719}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 46 and name HG3 ))
ASSI { 720}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HB ))
2.200 0.600 0.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.78001E-02 ppm1 0.912 ppm2 1.874 CV 1
ASSI { 722}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 46 and name HA ))
3.400 1.500 1.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.96123E-03 ppm1 0.913 ppm2 3.670 CV 1
ASSI { 724}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HA ))
3.100 1.200 1.200 peak 724 spectrum 1 weight 0.10000E+01 volume 0.24111E-02 ppm1 0.913 ppm2 4.949 CV 1
ASSI { 725}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 37 and name HN ))
2.400 0.700 0.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.44079E-02 ppm1 0.914 ppm2 8.586 CV 1
ASSI { 726}
( segid " " and resid 37 and name HG2%)
( segid " " and resid 60 and name HG1%)
2.000 2.000 4.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.14361E-01 ppm1 0.915 ppm2 0.724 CV 1
ASSI { 727}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 62 and name HB3 ))
3.700 1.700 1.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.12946E-02 ppm1 0.916 ppm2 1.553 CV 1
OR { 727}
( segid " " and resid 37 and name HG2%)
(( segid " " and resid 62 and name HB2 ))
ASSI { 728}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HG1%)
2.500 0.800 0.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.44187E-02 ppm1 4.928 ppm2 0.710 CV 1
OR { 728}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HG2%)
ASSI { 730}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 35 and name HB ))
2.900 1.000 1.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 4.930 ppm2 1.649 CV 1
ASSI { 732}
( segid " " and resid 60 and name HG1%)
(( segid " " and resid 61 and name HB3 ))
3.900 1.900 1.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 0.687 ppm2 2.754 CV 1
OR { 732}
( segid " " and resid 60 and name HG1%)
(( segid " " and resid 61 and name HB2 ))
ASSI { 737}
( segid " " and resid 60 and name HG1%)
(( segid " " and resid 35 and name HB ))
3.000 1.200 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.19203E-02 ppm1 0.692 ppm2 1.676 CV 1
ASSI { 738}
( segid " " and resid 60 and name HG1%)
(( segid " " and resid 61 and name HN ))
2.700 0.900 0.900 peak 738 spectrum 1 weight 0.10000E+01 volume 0.23238E-02 ppm1 0.692 ppm2 9.250 CV 1
ASSI { 739}
( segid " " and resid 60 and name HG1%)
(( segid " " and resid 60 and name HA ))
2.700 0.900 0.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.32132E-02 ppm1 0.693 ppm2 4.949 CV 1
ASSI { 740}
( segid " " and resid 60 and name HG1%)
(( segid " " and resid 60 and name HB ))
2.300 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.63545E-02 ppm1 0.693 ppm2 1.862 CV 1
ASSI { 741}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 60 and name HB ))
2.200 0.600 0.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.78993E-02 ppm1 0.719 ppm2 1.836 CV 1
ASSI { 742}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 35 and name HB ))
2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.52936E-02 ppm1 0.720 ppm2 1.646 CV 1
ASSI { 745}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 50 and name HA ))
2.500 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.36942E-02 ppm1 0.722 ppm2 3.854 CV 1
ASSI { 746}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 59 and name HA ))
3.900 1.900 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.71495E-03 ppm1 0.722 ppm2 4.390 CV 1
ASSI { 748}
( segid " " and resid 60 and name HG2%)
( segid " " and resid 35 and name HG2%)
2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.54241E-02 ppm1 0.723 ppm2 0.866 CV 1
ASSI { 749}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 50 and name HG2 ))
3.400 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.93784E-03 ppm1 0.723 ppm2 2.188 CV 1
ASSI { 750}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 60 and name HA ))
2.400 0.700 0.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.46858E-02 ppm1 0.725 ppm2 4.946 CV 1
ASSI { 752}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB ))
3.300 1.400 1.400 peak 752 spectrum 1 weight 0.10000E+01 volume 0.98511E-03 ppm1 3.817 ppm2 1.933 CV 1
ASSI { 757}
( segid " " and resid 68 and name HG1%)
(( segid " " and resid 68 and name HA ))
2.600 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.45441E-02 ppm1 0.857 ppm2 3.840 CV 1
ASSI { 758}
( segid " " and resid 68 and name HG1%)
(( segid " " and resid 69 and name HA ))
3.200 1.300 1.300 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12618E-02 ppm1 0.857 ppm2 3.977 CV 1
ASSI { 759}
( segid " " and resid 68 and name HG1%)
(( segid " " and resid 69 and name HN ))
3.400 1.500 1.500 peak 759 spectrum 1 weight 0.10000E+01 volume 0.17962E-02 ppm1 0.857 ppm2 7.647 CV 1
ASSI { 761}
( segid " " and resid 68 and name HG1%)
(( segid " " and resid 68 and name HB ))
2.400 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.55805E-02 ppm1 0.858 ppm2 1.958 CV 1
ASSI { 763}
( segid " " and resid 68 and name HG1%)
(( segid " " and resid 69 and name HG3 ))
3.700 1.700 1.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 0.858 ppm2 2.365 CV 1
OR { 763}
( segid " " and resid 68 and name HG1%)
(( segid " " and resid 69 and name HG2 ))
ASSI { 765}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HA ))
2.400 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.58656E-02 ppm1 0.994 ppm2 3.835 CV 1
ASSI { 767}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HB ))
2.400 0.700 0.700 peak 767 spectrum 1 weight 0.10000E+01 volume 0.58322E-02 ppm1 0.995 ppm2 1.969 CV 1
ASSI { 768}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HN ))
2.600 0.800 0.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.32157E-02 ppm1 0.996 ppm2 7.759 CV 1
ASSI { 769}
( segid " " and resid 68 and name HG2%)
( segid " " and resid 68 and name HG1%)
1.900 0.500 0.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.29369E-01 ppm1 0.997 ppm2 0.884 CV 1
ASSI { 770}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 79 and name HB ))
3.700 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.90113E-03 ppm1 0.997 ppm2 4.016 CV 1
OR { 770}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 79 and name HA ))
ASSI { 777}
( segid " " and resid 80 and name HG1%)
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 777 spectrum 1 weight 0.10000E+01 volume 0.13160E-02 ppm1 0.746 ppm2 8.364 CV 1
ASSI { 778}
( segid " " and resid 80 and name HG1%)
(( segid " " and resid 18 and name HG3 ))
3.000 1.100 1.100 peak 778 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 0.747 ppm2 2.371 CV 1
ASSI { 779}
( segid " " and resid 80 and name HG1%)
(( segid " " and resid 80 and name HA ))
2.500 0.800 0.800 peak 779 spectrum 1 weight 0.10000E+01 volume 0.45640E-02 ppm1 0.748 ppm2 4.401 CV 1
ASSI { 780}
( segid " " and resid 80 and name HG1%)
( segid " " and resid 70 and name HD1%)
3.700 1.700 1.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.22563E-02 ppm1 0.748 ppm2 0.326 CV 1
ASSI { 781}
( segid " " and resid 80 and name HG1%)
(( segid " " and resid 80 and name HB ))
2.000 0.500 0.500 peak 781 spectrum 1 weight 0.10000E+01 volume 0.10469E-01 ppm1 0.749 ppm2 1.651 CV 1
ASSI { 783}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HA ))
2.500 0.800 0.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.42930E-02 ppm1 0.912 ppm2 4.389 CV 1
ASSI { 784}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 71 and name HA1 ))
2.500 0.800 0.800 peak 784 spectrum 1 weight 0.10000E+01 volume 0.28823E-02 ppm1 0.913 ppm2 3.524 CV 1
ASSI { 785}
( segid " " and resid 80 and name HG2%)
( segid " " and resid 70 and name HD2%)
4.000 2.000 2.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.12625E-02 ppm1 0.913 ppm2 0.503 CV 1
ASSI { 787}
( segid " " and resid 80 and name HG2%)
( segid " " and resid 80 and name HG1%)
2.000 0.500 0.500 peak 787 spectrum 1 weight 0.10000E+01 volume 0.15036E-01 ppm1 0.913 ppm2 0.764 CV 1
ASSI { 788}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 76 and name HA ))
2.600 2.600 3.400 peak 788 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 0.913 ppm2 4.616 CV 1
ASSI { 789}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HN ))
2.800 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.20813E-02 ppm1 0.913 ppm2 7.929 CV 1
ASSI { 790}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 76 and name HB3 ))
2.600 0.800 0.800 peak 790 spectrum 1 weight 0.10000E+01 volume 0.33259E-02 ppm1 0.914 ppm2 1.462 CV 1
OR { 790}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 76 and name HB2 ))
ASSI { 791}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HB ))
2.200 0.600 0.600 peak 791 spectrum 1 weight 0.10000E+01 volume 0.71296E-02 ppm1 0.914 ppm2 1.640 CV 1
ASSI { 792}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 71 and name HA2 ))
3.300 1.400 1.400 peak 792 spectrum 1 weight 0.10000E+01 volume 0.25407E-02 ppm1 0.914 ppm2 4.124 CV 1
ASSI { 794}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 85 and name HG2%)
2.600 0.800 0.800 peak 794 spectrum 1 weight 0.10000E+01 volume 0.29188E-02 ppm1 3.932 ppm2 0.623 CV 1
ASSI { 796}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 86 and name HN ))
2.300 0.600 0.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.44394E-02 ppm1 3.935 ppm2 8.285 CV 1
ASSI { 797}
( segid " " and resid 85 and name HG1%)
(( segid " " and resid 85 and name HN ))
4.200 2.200 1.800 peak 797 spectrum 1 weight 0.10000E+01 volume 0.87057E-03 ppm1 0.457 ppm2 9.000 CV 1
ASSI { 800}
( segid " " and resid 85 and name HG1%)
(( segid " " and resid 85 and name HB ))
2.300 0.700 0.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.50123E-02 ppm1 0.464 ppm2 2.050 CV 1
ASSI { 801}
( segid " " and resid 85 and name HG1%)
(( segid " " and resid 85 and name HA ))
2.200 0.600 0.600 peak 801 spectrum 1 weight 0.10000E+01 volume 0.75069E-02 ppm1 0.465 ppm2 3.943 CV 1
ASSI { 802}
( segid " " and resid 85 and name HG1%)
(( segid " " and resid 86 and name HN ))
3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 0.465 ppm2 8.297 CV 1
ASSI { 805}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 32 and name HA ))
2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.32298E-02 ppm1 3.795 ppm2 4.621 CV 1
ASSI { 808}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB ))
3.200 1.300 1.300 peak 808 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 3.801 ppm2 1.638 CV 1
ASSI { 810}
( segid " " and resid 86 and name HG1%)
(( segid " " and resid 32 and name HA ))
3.200 1.300 1.300 peak 810 spectrum 1 weight 0.10000E+01 volume 0.15142E-02 ppm1 0.940 ppm2 4.616 CV 1
ASSI { 811}
( segid " " and resid 86 and name HG1%)
(( segid " " and resid 86 and name HA ))
2.600 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.38701E-02 ppm1 0.941 ppm2 3.802 CV 1
ASSI { 813}
( segid " " and resid 86 and name HG1%)
(( segid " " and resid 86 and name HB ))
2.100 0.600 0.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.10291E-01 ppm1 0.943 ppm2 1.634 CV 1
ASSI { 814}
( segid " " and resid 86 and name HG1%)
( segid " " and resid 86 and name HG2%)
2.200 0.600 0.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.12238E-01 ppm1 0.943 ppm2 0.555 CV 1
ASSI { 815}
( segid " " and resid 86 and name HG1%)
(( segid " " and resid 87 and name HB2 ))
3.400 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.13161E-02 ppm1 0.943 ppm2 2.637 CV 1
OR { 815}
( segid " " and resid 86 and name HG1%)
(( segid " " and resid 87 and name HB3 ))
ASSI { 816}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 32 and name HA ))
3.400 1.400 1.400 peak 816 spectrum 1 weight 0.10000E+01 volume 0.76519E-03 ppm1 0.535 ppm2 4.642 CV 1
ASSI { 817}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 86 and name HB ))
2.300 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.58866E-02 ppm1 0.542 ppm2 1.646 CV 1
ASSI { 818}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 26 and name HB3 ))
3.000 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.67609E-03 ppm1 0.545 ppm2 2.738 CV 1
OR { 818}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 26 and name HB2 ))
ASSI { 819}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 86 and name HA ))
2.500 0.800 0.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.38405E-02 ppm1 0.549 ppm2 3.813 CV 1
ASSI { 820}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 86 and name HN ))
2.700 0.900 0.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.24173E-02 ppm1 0.552 ppm2 8.293 CV 1
ASSI { 821}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.84270E-03 ppm1 0.553 ppm2 8.749 CV 1
ASSI { 823}
( segid " " and resid 86 and name HG2%)
( segid " " and resid 16 and name HG2%)
2.100 2.100 3.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.63437E-02 ppm1 0.554 ppm2 0.700 CV 1
ASSI { 825}
( segid " " and resid 86 and name HG2%)
( segid " " and resid 17 and name HG1%)
2.600 2.600 3.400 peak 825 spectrum 1 weight 0.10000E+01 volume 0.15809E-02 ppm1 0.554 ppm2 0.819 CV 1
ASSI { 826}
( segid " " and resid 86 and name HG2%)
(( segid " " and resid 85 and name HA ))
3.700 1.700 1.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.94344E-03 ppm1 0.557 ppm2 3.962 CV 1
ASSI { 827}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HG2 ))
3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.10690E-02 ppm1 3.762 ppm2 2.270 CV 1
OR { 827}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HG3 ))
ASSI { 828}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HB3 ))
3.000 3.000 3.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.30272E-02 ppm1 3.767 ppm2 2.079 CV 1
ASSI { 831}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.900 1.000 1.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.27162E-02 ppm1 3.990 ppm2 8.237 CV 1
ASSI { 832}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
2.700 0.900 0.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.22868E-02 ppm1 3.995 ppm2 2.455 CV 1
ASSI { 833}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
2.800 1.000 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.26834E-02 ppm1 3.996 ppm2 2.763 CV 1
OR { 833}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 840}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB2 ))
2.700 0.900 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 4.736 ppm2 2.756 CV 1
OR { 840}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB3 ))
ASSI { 1}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.800 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.24734E-02 ppm1 8.556 ppm2 3.900 CV 1
ASSI { 2}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB3 ))
2.600 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.42239E-02 ppm1 8.556 ppm2 1.542 CV 1
OR { 2}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 4}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 16 and name HD1%)
4.300 2.400 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.75484E-03 ppm1 8.557 ppm2 0.662 CV 1
ASSI { 6}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
2.700 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.24597E-02 ppm1 8.557 ppm2 7.620 CV 1
ASSI { 7}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 91 and name HB3 ))
3.500 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.10238E-02 ppm1 8.558 ppm2 4.376 CV 1
OR { 7}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 91 and name HB2 ))
ASSI { 8}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.28705E-02 ppm1 8.558 ppm2 8.133 CV 1
ASSI { 9}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HB% )
2.300 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.72730E-02 ppm1 8.560 ppm2 1.339 CV 1
ASSI { 10}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 7 and name HA ))
2.800 1.000 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.23457E-02 ppm1 8.562 ppm2 3.624 CV 1
ASSI { 11}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
3.500 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.60090E-03 ppm1 9.576 ppm2 3.812 CV 1
ASSI { 12}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA2 ))
3.000 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16841E-02 ppm1 9.580 ppm2 4.187 CV 1
OR { 12}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA1 ))
ASSI { 13}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HB% )
2.900 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.23565E-02 ppm1 9.586 ppm2 1.532 CV 1
ASSI { 15}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA2 ))
3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11633E-02 ppm1 9.591 ppm2 4.883 CV 1
ASSI { 16}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
3.600 1.600 1.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.52936E-03 ppm1 9.592 ppm2 8.758 CV 1
ASSI { 17}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 32 and name HB% )
3.700 1.700 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10484E-02 ppm1 8.249 ppm2 0.966 CV 1
ASSI { 18}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.900 1.100 1.100 peak 18 spectrum 1 weight 0.10000E+01 volume 0.17499E-02 ppm1 8.250 ppm2 2.773 CV 1
OR { 18}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB3 ))
ASSI { 20}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HB ))
3.100 3.100 2.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.65108E-03 ppm1 8.251 ppm2 1.821 CV 1
ASSI { 21}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.31713E-02 ppm1 8.252 ppm2 3.910 CV 1
ASSI { 22}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HB3 ))
3.100 3.100 2.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.63793E-03 ppm1 8.253 ppm2 2.060 CV 1
ASSI { 23}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HB% )
2.200 0.600 0.600 peak 23 spectrum 1 weight 0.10000E+01 volume 0.77247E-02 ppm1 8.253 ppm2 1.428 CV 1
ASSI { 24}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB3 ))
3.700 1.800 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.98856E-03 ppm1 8.253 ppm2 2.436 CV 1
ASSI { 25}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HA ))
3.100 1.200 1.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.14909E-02 ppm1 8.254 ppm2 3.458 CV 1
ASSI { 26}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HN ))
3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.43928E-03 ppm1 8.264 ppm2 7.521 CV 1
ASSI { 28}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HA1 ))
4.300 2.300 1.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.53907E-03 ppm1 6.894 ppm2 3.816 CV 1
OR { 28}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HA2 ))
ASSI { 29}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 26 and name HB3 ))
3.500 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.43635E-03 ppm1 6.895 ppm2 2.430 CV 1
ASSI { 31}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HB% )
2.500 0.800 0.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.40467E-02 ppm1 6.897 ppm2 0.942 CV 1
ASSI { 32}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
2.800 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 6.898 ppm2 4.621 CV 1
ASSI { 33}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.24859E-02 ppm1 6.898 ppm2 8.354 CV 1
ASSI { 34}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HA2 ))
4.800 2.800 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.34721E-03 ppm1 6.898 ppm2 4.375 CV 1
ASSI { 35}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA2 ))
3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16980E-02 ppm1 6.899 ppm2 4.037 CV 1
OR { 35}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA1 ))
ASSI { 36}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 73 and name HD2%)
4.600 2.700 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.73926E-03 ppm1 8.390 ppm2 0.883 CV 1
OR { 36}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 73 and name HD1%)
ASSI { 37}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
2.900 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.18397E-02 ppm1 8.392 ppm2 8.598 CV 1
ASSI { 39}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.35129E-02 ppm1 8.393 ppm2 3.638 CV 1
ASSI { 40}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HB% )
2.200 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.88016E-02 ppm1 8.394 ppm2 1.538 CV 1
ASSI { 42}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB3 ))
3.000 1.200 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.13515E-02 ppm1 8.395 ppm2 3.309 CV 1
OR { 42}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
ASSI { 43}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB3 ))
2.400 0.700 0.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.35307E-02 ppm1 8.395 ppm2 3.133 CV 1
ASSI { 44}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 37 and name HB ))
4.400 2.400 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.36288E-03 ppm1 7.267 ppm2 1.852 CV 1
ASSI { 45}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HN ))
4.900 3.000 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.41003E-03 ppm1 7.270 ppm2 8.424 CV 1
ASSI { 46}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HA ))
3.400 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.83338E-03 ppm1 7.271 ppm2 3.958 CV 1
ASSI { 47}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 37 and name HG2%)
4.200 2.200 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.58899E-03 ppm1 7.273 ppm2 0.908 CV 1
OR { 47}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 37 and name HG1%)
ASSI { 48}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 46 and name HE3 ))
3.500 1.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.76573E-03 ppm1 7.274 ppm2 2.949 CV 1
ASSI { 49}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HB% )
2.300 0.600 0.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.80287E-02 ppm1 7.274 ppm2 1.402 CV 1
ASSI { 50}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
2.800 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.27423E-02 ppm1 7.274 ppm2 4.208 CV 1
ASSI { 51}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
2.600 0.800 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.33664E-02 ppm1 7.274 ppm2 7.695 CV 1
ASSI { 52}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 7.275 ppm2 4.912 CV 1
ASSI { 53}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 46 and name HG3 ))
4.900 3.000 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.21105E-03 ppm1 7.275 ppm2 1.171 CV 1
ASSI { 55}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB3 ))
3.700 1.700 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.48591E-03 ppm1 7.276 ppm2 2.567 CV 1
ASSI { 56}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 49 and name HA ))
3.800 1.800 1.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.40224E-03 ppm1 9.009 ppm2 3.460 CV 1
ASSI { 57}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 50 and name HA ))
3.500 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.77629E-03 ppm1 9.012 ppm2 3.850 CV 1
ASSI { 58}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HN ))
2.600 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.33543E-02 ppm1 9.015 ppm2 7.591 CV 1
ASSI { 59}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 53 and name HB% )
2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.80174E-02 ppm1 9.016 ppm2 1.505 CV 1
ASSI { 60}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB2 ))
3.200 1.300 1.300 peak 60 spectrum 1 weight 0.10000E+01 volume 0.89903E-03 ppm1 9.016 ppm2 2.787 CV 1
OR { 60}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB3 ))
ASSI { 61}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
2.500 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.33611E-02 ppm1 9.016 ppm2 8.232 CV 1
ASSI { 63}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB3 ))
3.400 1.500 1.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.15612E-02 ppm1 9.017 ppm2 2.665 CV 1
ASSI { 66}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB2 ))
3.400 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.10942E-02 ppm1 7.266 ppm2 3.923 CV 1
OR { 66}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB3 ))
ASSI { 68}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HA ))
2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.18862E-02 ppm1 7.266 ppm2 5.217 CV 1
ASSI { 69}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 19 and name HA1 ))
3.300 3.300 2.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.44536E-03 ppm1 7.266 ppm2 4.192 CV 1
ASSI { 70}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.51683E-03 ppm1 7.266 ppm2 8.363 CV 1
ASSI { 71}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 82 and name HB% )
2.700 0.900 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.26342E-02 ppm1 7.267 ppm2 1.141 CV 1
ASSI { 72}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HN ))
2.500 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.34390E-02 ppm1 7.267 ppm2 9.320 CV 1
ASSI { 73}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 80 and name HG1%)
2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.51594E-02 ppm1 7.267 ppm2 0.755 CV 1
ASSI { 74}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 70 and name HD2%)
4.000 2.000 2.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.63254E-03 ppm1 7.269 ppm2 0.573 CV 1
ASSI { 77}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 84 and name HB% )
2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.30248E-02 ppm1 8.986 ppm2 0.940 CV 1
ASSI { 79}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 18 and name HA ))
3.700 1.700 1.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.68876E-03 ppm1 8.987 ppm2 4.445 CV 1
ASSI { 80}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HA ))
3.000 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.10908E-02 ppm1 8.987 ppm2 5.097 CV 1
ASSI { 81}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 16 and name HG2%)
2.900 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.20783E-02 ppm1 8.987 ppm2 0.648 CV 1
ASSI { 82}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HA ))
2.400 0.700 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.47401E-02 ppm1 8.987 ppm2 4.731 CV 1
ASSI { 83}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HA ))
3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17077E-02 ppm1 7.993 ppm2 4.006 CV 1
ASSI { 84}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB2 ))
3.100 1.200 1.200 peak 84 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 7.994 ppm2 1.615 CV 1
OR { 84}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB3 ))
ASSI { 85}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 95 and name HB% )
2.300 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.85585E-02 ppm1 7.997 ppm2 1.423 CV 1
ASSI { 86}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HA ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.28270E-02 ppm1 7.997 ppm2 4.184 CV 1
ASSI { 87}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 96 and name HN ))
2.600 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.33290E-02 ppm1 7.997 ppm2 7.373 CV 1
ASSI { 88}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HN ))
2.500 0.800 0.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.37857E-02 ppm1 7.997 ppm2 8.311 CV 1
ASSI { 89}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 93 and name HA ))
3.400 1.400 1.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.74492E-03 ppm1 7.998 ppm2 3.603 CV 1
ASSI { 90}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 93 and name HG2%)
2.900 2.900 3.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.87828E-03 ppm1 7.998 ppm2 0.626 CV 1
ASSI { 93}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
3.600 1.600 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.75818E-03 ppm1 8.095 ppm2 3.723 CV 1
ASSI { 94}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.23496E-02 ppm1 8.095 ppm2 7.865 CV 1
ASSI { 95}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 13 and name HG2%)
4.400 2.400 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.54667E-03 ppm1 8.098 ppm2 1.191 CV 1
ASSI { 96}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.400 0.700 0.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.73700E-02 ppm1 8.099 ppm2 2.643 CV 1
OR { 96}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB3 ))
ASSI { 97}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HA ))
3.000 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.16036E-02 ppm1 8.099 ppm2 4.032 CV 1
ASSI { 98}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.900 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.25164E-02 ppm1 8.099 ppm2 4.465 CV 1
ASSI { 99}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB3 ))
2.700 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.31231E-02 ppm1 8.099 ppm2 2.228 CV 1
OR { 99}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 100}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HN ))
4.200 2.200 1.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.38728E-03 ppm1 8.099 ppm2 8.560 CV 1
ASSI { 101}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 8 and name HA ))
3.800 1.800 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.47913E-03 ppm1 8.099 ppm2 3.859 CV 1
ASSI { 102}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB3 ))
3.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 8.103 ppm2 1.752 CV 1
ASSI { 103}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 6 and name HB2 ))
4.200 2.200 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.42834E-03 ppm1 9.037 ppm2 1.477 CV 1
OR { 103}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 104}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
3.400 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.91013E-03 ppm1 9.038 ppm2 4.758 CV 1
ASSI { 108}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 1 and name HG1%)
3.700 1.700 1.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.97465E-03 ppm1 9.041 ppm2 0.736 CV 1
OR { 108}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 1 and name HG2%)
ASSI { 109}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
3.000 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.23931E-02 ppm1 9.041 ppm2 2.994 CV 1
OR { 109}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB3 ))
ASSI { 110}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB3 ))
3.600 1.700 1.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.17461E-02 ppm1 9.042 ppm2 2.523 CV 1
ASSI { 111}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.600 1.600 1.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.79883E-03 ppm1 8.623 ppm2 4.067 CV 1
ASSI { 113}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.400 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.56775E-03 ppm1 8.627 ppm2 2.372 CV 1
ASSI { 114}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HB3 ))
3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 8.628 ppm2 1.782 CV 1
ASSI { 116}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.29729E-02 ppm1 8.628 ppm2 4.316 CV 1
ASSI { 117}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB3 ))
2.700 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.39975E-02 ppm1 8.628 ppm2 2.625 CV 1
OR { 117}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB2 ))
ASSI { 118}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
2.400 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.44664E-02 ppm1 8.628 ppm2 7.142 CV 1
ASSI { 119}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB2 ))
2.600 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.42725E-02 ppm1 8.629 ppm2 2.044 CV 1
OR { 119}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 121}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 46 and name HN ))
4.200 2.200 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.34516E-03 ppm1 8.630 ppm2 7.761 CV 1
ASSI { 122}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB3 ))
3.100 1.200 1.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.22674E-02 ppm1 7.880 ppm2 2.590 CV 1
ASSI { 123}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 45 and name HG2%)
4.100 2.100 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.45426E-03 ppm1 7.880 ppm2 0.776 CV 1
ASSI { 124}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.500 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.48023E-02 ppm1 7.880 ppm2 2.915 CV 1
OR { 124}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 125}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
2.600 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.32737E-02 ppm1 7.881 ppm2 8.190 CV 1
ASSI { 126}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HN ))
2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.34298E-02 ppm1 7.881 ppm2 8.371 CV 1
ASSI { 127}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
2.900 1.100 1.100 peak 127 spectrum 1 weight 0.10000E+01 volume 0.20240E-02 ppm1 7.883 ppm2 4.542 CV 1
ASSI { 130}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
3.000 1.100 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.14506E-02 ppm1 7.883 ppm2 5.040 CV 1
ASSI { 131}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 86 and name HG1%)
3.700 1.700 1.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.99988E-03 ppm1 7.884 ppm2 0.958 CV 1
ASSI { 132}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 85 and name HA ))
4.100 2.100 1.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10826E-02 ppm1 7.885 ppm2 3.951 CV 1
ASSI { 134}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB2 ))
2.800 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.24683E-02 ppm1 7.885 ppm2 2.638 CV 1
OR { 134}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB3 ))
ASSI { 135}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 15 and name HN ))
2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 7.886 ppm2 9.292 CV 1
ASSI { 136}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HN ))
2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.35833E-02 ppm1 7.886 ppm2 8.279 CV 1
ASSI { 137}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB ))
2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.42414E-02 ppm1 7.886 ppm2 1.620 CV 1
ASSI { 138}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HA ))
3.600 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.68207E-03 ppm1 7.887 ppm2 3.819 CV 1
ASSI { 139}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.300 1.400 1.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.11734E-02 ppm1 7.887 ppm2 1.776 CV 1
OR { 139}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 142}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HA ))
2.900 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.23353E-02 ppm1 7.980 ppm2 4.401 CV 1
ASSI { 144}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.52540E-02 ppm1 8.178 ppm2 3.999 CV 1
ASSI { 147}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HN ))
2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.27538E-02 ppm1 8.183 ppm2 7.765 CV 1
ASSI { 148}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB2 ))
2.700 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.28092E-02 ppm1 8.183 ppm2 1.776 CV 1
OR { 148}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB3 ))
ASSI { 150}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.200 0.600 0.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10114E-01 ppm1 8.187 ppm2 2.033 CV 1
OR { 150}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 152}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG3 ))
2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.28363E-02 ppm1 8.259 ppm2 2.478 CV 1
ASSI { 154}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 49 and name HG2%)
3.000 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.27483E-02 ppm1 8.262 ppm2 0.703 CV 1
ASSI { 155}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.50667E-02 ppm1 8.263 ppm2 2.118 CV 1
OR { 155}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB3 ))
ASSI { 157}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.45062E-02 ppm1 8.266 ppm2 3.866 CV 1
ASSI { 158}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
3.500 1.500 1.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.86814E-03 ppm1 8.269 ppm2 3.458 CV 1
ASSI { 159}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.200 1.200 1.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.13478E-02 ppm1 8.380 ppm2 1.701 CV 1
OR { 159}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 160}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
3.600 1.600 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.74859E-03 ppm1 8.382 ppm2 4.019 CV 1
ASSI { 162}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HN ))
2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.23175E-02 ppm1 8.384 ppm2 8.620 CV 1
ASSI { 164}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB3 ))
3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.30044E-02 ppm1 8.385 ppm2 1.536 CV 1
ASSI { 166}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.15053E-02 ppm1 8.387 ppm2 4.206 CV 1
ASSI { 168}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG2 ))
2.700 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.31697E-02 ppm1 8.388 ppm2 2.869 CV 1
OR { 168}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG3 ))
ASSI { 169}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB3 ))
2.800 1.000 1.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.22227E-02 ppm1 8.389 ppm2 3.003 CV 1
OR { 169}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 171}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HB3 ))
4.500 2.600 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.48320E-03 ppm1 8.390 ppm2 1.258 CV 1
OR { 171}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 173}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 60 and name HG1%)
3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.55018E-03 ppm1 7.969 ppm2 0.678 CV 1
ASSI { 174}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
2.200 0.600 0.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.80993E-02 ppm1 7.970 ppm2 4.737 CV 1
ASSI { 175}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB2 ))
4.100 2.100 1.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 7.970 ppm2 2.745 CV 1
OR { 175}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB3 ))
ASSI { 176}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
2.600 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.36129E-02 ppm1 7.970 ppm2 1.756 CV 1
OR { 176}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB3 ))
OR { 176}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HG2 ))
ASSI { 177}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
3.000 1.100 1.100 peak 177 spectrum 1 weight 0.10000E+01 volume 0.15230E-02 ppm1 7.971 ppm2 4.608 CV 1
ASSI { 178}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
2.800 1.000 1.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.28121E-02 ppm1 7.971 ppm2 1.563 CV 1
OR { 178}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB3 ))
ASSI { 179}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HN ))
4.500 2.600 1.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.44038E-03 ppm1 7.977 ppm2 8.477 CV 1
ASSI { 180}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
2.900 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.22240E-02 ppm1 8.369 ppm2 3.807 CV 1
ASSI { 181}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HN ))
3.300 1.300 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.10661E-02 ppm1 8.370 ppm2 5.594 CV 1
ASSI { 182}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB3 ))
4.300 2.300 1.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.56279E-03 ppm1 8.371 ppm2 2.540 CV 1
OR { 182}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 183}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 38 and name HA ))
5.000 3.100 1.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.72078E-03 ppm1 8.372 ppm2 4.623 CV 1
ASSI { 184}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB2 ))
2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.25309E-02 ppm1 8.374 ppm2 1.824 CV 1
OR { 184}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB3 ))
ASSI { 185}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
2.200 0.600 0.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.73166E-02 ppm1 8.375 ppm2 4.177 CV 1
ASSI { 186}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 61 and name HE% )
3.000 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.18947E-02 ppm1 8.375 ppm2 6.662 CV 1
ASSI { 188}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HG2 ))
3.400 1.400 1.400 peak 188 spectrum 1 weight 0.10000E+01 volume 0.14820E-02 ppm1 8.377 ppm2 2.092 CV 1
OR { 188}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HG3 ))
ASSI { 189}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB3 ))
3.000 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.27644E-02 ppm1 8.377 ppm2 1.683 CV 1
ASSI { 190}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 66 and name HB ))
4.100 2.100 1.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.41653E-03 ppm1 7.631 ppm2 4.840 CV 1
ASSI { 192}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 68 and name HG2%)
4.800 2.900 1.200 peak 192 spectrum 1 weight 0.10000E+01 volume 0.47403E-03 ppm1 7.632 ppm2 1.029 CV 1
ASSI { 194}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB2 ))
2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.31051E-02 ppm1 7.636 ppm2 2.555 CV 1
OR { 194}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB3 ))
ASSI { 196}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
2.900 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.19062E-02 ppm1 7.637 ppm2 3.992 CV 1
ASSI { 197}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 70 and name HN ))
2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.20802E-02 ppm1 7.637 ppm2 8.969 CV 1
ASSI { 198}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB ))
2.600 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.24979E-02 ppm1 7.637 ppm2 1.946 CV 1
ASSI { 199}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
3.800 1.800 1.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.50331E-03 ppm1 7.637 ppm2 3.817 CV 1
ASSI { 200}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB3 ))
3.000 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.21476E-02 ppm1 7.638 ppm2 2.236 CV 1
ASSI { 204}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HA ))
2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.22792E-02 ppm1 8.573 ppm2 4.380 CV 1
ASSI { 205}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HN ))
4.200 2.200 1.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.50123E-03 ppm1 8.573 ppm2 9.135 CV 1
ASSI { 206}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HA1 ))
2.500 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.60359E-02 ppm1 8.574 ppm2 3.624 CV 1
OR { 206}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HA2 ))
ASSI { 207}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 13 and name HG2%)
3.400 1.500 1.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 8.574 ppm2 1.179 CV 1
ASSI { 208}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB3 ))
3.100 1.200 1.200 peak 208 spectrum 1 weight 0.10000E+01 volume 0.23566E-02 ppm1 8.574 ppm2 1.587 CV 1
ASSI { 209}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB2 ))
2.900 1.100 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.25196E-02 ppm1 8.574 ppm2 2.248 CV 1
OR { 209}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB3 ))
ASSI { 211}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HB% )
2.500 0.800 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.45872E-02 ppm1 7.902 ppm2 1.541 CV 1
ASSI { 214}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.400 1.400 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11705E-02 ppm1 7.904 ppm2 3.627 CV 1
ASSI { 215}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB3 ))
2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.47743E-02 ppm1 7.904 ppm2 3.000 CV 1
OR { 215}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 216}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.500 0.800 0.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.49703E-02 ppm1 7.904 ppm2 3.170 CV 1
ASSI { 217}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HB2 ))
5.000 3.100 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.30265E-03 ppm1 7.905 ppm2 1.733 CV 1
OR { 217}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 218}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.800 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.25817E-02 ppm1 7.908 ppm2 4.011 CV 1
ASSI { 221}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
2.200 0.600 0.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.76363E-02 ppm1 8.472 ppm2 4.625 CV 1
ASSI { 222}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 37 and name HG2%)
3.400 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 8.472 ppm2 0.959 CV 1
ASSI { 223}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HB3 ))
2.500 2.500 3.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.21991E-02 ppm1 8.473 ppm2 2.724 CV 1
ASSI { 224}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 38 and name HB% )
4.300 2.300 1.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.95218E-03 ppm1 8.474 ppm2 1.585 CV 1
ASSI { 225}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HG3 ))
3.700 1.700 1.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12001E-02 ppm1 8.474 ppm2 1.882 CV 1
ASSI { 226}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB3 ))
2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.32958E-02 ppm1 8.475 ppm2 2.564 CV 1
OR { 226}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 227}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
2.900 1.000 1.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.15917E-02 ppm1 8.476 ppm2 4.189 CV 1
ASSI { 228}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB3 ))
3.600 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13324E-02 ppm1 8.478 ppm2 1.748 CV 1
OR { 228}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB2 ))
ASSI { 229}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 10 and name HA ))
3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12764E-02 ppm1 7.847 ppm2 3.920 CV 1
ASSI { 230}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HG2%)
3.900 1.900 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.66396E-03 ppm1 7.849 ppm2 1.173 CV 1
ASSI { 232}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA1 ))
3.000 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.28055E-02 ppm1 7.851 ppm2 3.523 CV 1
ASSI { 233}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 10 and name HB% )
4.100 2.100 1.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.48538E-03 ppm1 7.851 ppm2 1.328 CV 1
ASSI { 234}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB ))
3.500 1.500 1.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.58554E-03 ppm1 7.853 ppm2 4.443 CV 1
ASSI { 235}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 87 and name HB2 ))
4.800 2.800 1.200 peak 235 spectrum 1 weight 0.10000E+01 volume 0.51567E-03 ppm1 7.853 ppm2 2.641 CV 1
OR { 235}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 87 and name HB3 ))
ASSI { 236}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HA ))
3.600 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.58510E-03 ppm1 7.854 ppm2 3.691 CV 1
ASSI { 237}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HN ))
3.900 1.900 1.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.62133E-03 ppm1 7.855 ppm2 8.077 CV 1
ASSI { 238}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
3.600 1.600 1.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.80955E-03 ppm1 7.856 ppm2 4.694 CV 1
ASSI { 241}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HG2 ))
3.900 1.900 1.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.55239E-03 ppm1 8.372 ppm2 2.416 CV 1
ASSI { 242}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HA ))
3.600 1.600 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.75247E-03 ppm1 8.373 ppm2 3.800 CV 1
ASSI { 243}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.200 0.600 0.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.68509E-02 ppm1 8.374 ppm2 4.434 CV 1
ASSI { 244}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 83 and name HB3 ))
3.300 1.400 1.400 peak 244 spectrum 1 weight 0.10000E+01 volume 0.16015E-02 ppm1 8.375 ppm2 1.585 CV 1
OR { 244}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 83 and name HB2 ))
ASSI { 246}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA1 ))
2.600 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.34512E-02 ppm1 8.376 ppm2 4.182 CV 1
ASSI { 247}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 83 and name HA ))
3.100 1.200 1.200 peak 247 spectrum 1 weight 0.10000E+01 volume 0.15128E-02 ppm1 8.377 ppm2 4.757 CV 1
ASSI { 248}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.400 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.16447E-02 ppm1 8.378 ppm2 1.978 CV 1
ASSI { 249}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB3 ))
4.100 2.100 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.58457E-03 ppm1 8.379 ppm2 2.158 CV 1
OR { 249}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 251}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.42432E-02 ppm1 7.994 ppm2 7.838 CV 1
ASSI { 253}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HG2 ))
3.800 1.800 1.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.65334E-03 ppm1 7.995 ppm2 2.484 CV 1
ASSI { 254}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB3 ))
3.400 1.400 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.11584E-02 ppm1 7.995 ppm2 1.996 CV 1
OR { 254}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 255}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA2 ))
2.800 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.30405E-02 ppm1 7.996 ppm2 4.362 CV 1
ASSI { 256}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
3.200 1.300 1.300 peak 256 spectrum 1 weight 0.10000E+01 volume 0.15201E-02 ppm1 7.997 ppm2 8.333 CV 1
ASSI { 259}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA1 ))
2.900 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19191E-02 ppm1 8.353 ppm2 3.792 CV 1
ASSI { 261}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA2 ))
2.600 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.45735E-02 ppm1 8.353 ppm2 4.041 CV 1
OR { 261}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA1 ))
ASSI { 262}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA2 ))
3.100 1.200 1.200 peak 262 spectrum 1 weight 0.10000E+01 volume 0.19461E-02 ppm1 8.355 ppm2 4.347 CV 1
ASSI { 263}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HG3 ))
3.300 3.300 2.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.42955E-03 ppm1 8.356 ppm2 2.476 CV 1
OR { 263}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 266}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.32226E-02 ppm1 7.907 ppm2 8.200 CV 1
ASSI { 267}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA2 ))
2.600 0.800 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.67717E-02 ppm1 7.908 ppm2 4.018 CV 1
ASSI { 268}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA1 ))
2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.46304E-02 ppm1 7.908 ppm2 3.853 CV 1
ASSI { 269}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 63 and name HE% )
4.000 2.000 2.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.50460E-03 ppm1 5.582 ppm2 7.257 CV 1
ASSI { 270}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HG3 ))
3.000 3.000 3.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.75166E-03 ppm1 5.584 ppm2 1.954 CV 1
ASSI { 272}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA1 ))
3.200 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.15096E-02 ppm1 5.586 ppm2 3.221 CV 1
ASSI { 273}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 38 and name HB% )
4.400 2.400 1.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.43035E-03 ppm1 5.586 ppm2 1.569 CV 1
ASSI { 274}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA2 ))
3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.10001E-02 ppm1 5.587 ppm2 4.096 CV 1
ASSI { 275}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
3.300 1.400 1.400 peak 275 spectrum 1 weight 0.10000E+01 volume 0.10308E-02 ppm1 5.587 ppm2 3.804 CV 1
ASSI { 277}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB3 ))
2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.17281E-02 ppm1 7.726 ppm2 2.282 CV 1
OR { 277}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB2 ))
ASSI { 278}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB3 ))
3.000 1.200 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.73802E-03 ppm1 7.727 ppm2 1.344 CV 1
ASSI { 280}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 80 and name HB ))
3.300 1.400 1.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 7.728 ppm2 1.647 CV 1
ASSI { 281}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 80 and name HN ))
3.100 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.16561E-02 ppm1 7.728 ppm2 7.914 CV 1
ASSI { 282}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HN ))
2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.21535E-02 ppm1 7.728 ppm2 8.132 CV 1
ASSI { 283}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA1 ))
2.900 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.28027E-02 ppm1 7.728 ppm2 3.523 CV 1
ASSI { 284}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 80 and name HG2%)
4.000 2.000 2.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10007E-02 ppm1 7.731 ppm2 0.915 CV 1
ASSI { 285}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HN ))
2.800 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.18439E-02 ppm1 7.732 ppm2 8.972 CV 1
ASSI { 286}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA2 ))
2.300 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.48056E-02 ppm1 7.732 ppm2 4.122 CV 1
ASSI { 287}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
3.400 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.92620E-03 ppm1 7.982 ppm2 4.203 CV 1
ASSI { 288}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HN ))
2.600 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.26395E-02 ppm1 7.982 ppm2 7.183 CV 1
ASSI { 289}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
2.600 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.33126E-02 ppm1 7.983 ppm2 8.182 CV 1
ASSI { 290}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA2 ))
2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.46650E-02 ppm1 7.984 ppm2 3.988 CV 1
ASSI { 291}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HB2 ))
3.300 1.300 1.300 peak 291 spectrum 1 weight 0.10000E+01 volume 0.93719E-03 ppm1 7.986 ppm2 1.729 CV 1
OR { 291}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HB3 ))
ASSI { 292}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA1 ))
2.200 0.600 0.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.89838E-02 ppm1 7.989 ppm2 3.813 CV 1
ASSI { 293}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 73 and name HD2%)
2.800 2.800 3.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 7.989 ppm2 0.888 CV 1
ASSI { 294}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HB2 ))
3.900 1.900 1.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11457E-02 ppm1 7.989 ppm2 1.461 CV 1
OR { 294}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HB3 ))
ASSI { 296}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HA ))
3.400 1.500 1.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.76255E-03 ppm1 9.138 ppm2 3.926 CV 1
ASSI { 298}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA1 ))
2.300 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.81063E-02 ppm1 9.140 ppm2 3.622 CV 1
OR { 298}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA2 ))
ASSI { 299}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HB2 ))
3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.16781E-02 ppm1 9.140 ppm2 2.059 CV 1
OR { 299}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HG2 ))
OR { 299}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HB3 ))
ASSI { 301}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 87 and name HA ))
4.000 2.000 2.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.56338E-03 ppm1 9.142 ppm2 5.047 CV 1
ASSI { 302}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HD2 ))
3.600 1.600 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.62979E-03 ppm1 9.144 ppm2 3.151 CV 1
OR { 302}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HD3 ))
ASSI { 305}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HB3 ))
4.200 2.200 1.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.43513E-03 ppm1 7.806 ppm2 1.078 CV 1
ASSI { 307}
(( segid " " and resid 97 and name HN ))
( segid " " and resid 34 and name HD1%)
4.200 2.200 1.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.46325E-03 ppm1 7.808 ppm2 0.828 CV 1
ASSI { 308}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HA1 ))
2.900 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.34238E-02 ppm1 7.809 ppm2 3.768 CV 1
ASSI { 309}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HA2 ))
2.500 0.800 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.38745E-02 ppm1 7.810 ppm2 4.047 CV 1
ASSI { 310}
(( segid " " and resid 97 and name HN ))
( segid " " and resid 34 and name HD2%)
3.400 1.500 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.70062E-03 ppm1 7.811 ppm2 0.603 CV 1
ASSI { 311}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HB2 ))
3.200 1.300 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.11987E-02 ppm1 7.811 ppm2 1.450 CV 1
OR { 311}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HB3 ))
ASSI { 313}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 99 and name HN ))
3.900 1.900 1.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.53078E-03 ppm1 7.732 ppm2 8.092 CV 1
ASSI { 314}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HA1 ))
3.600 1.600 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.70601E-03 ppm1 7.733 ppm2 3.764 CV 1
ASSI { 315}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HA1 ))
2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.57023E-02 ppm1 7.735 ppm2 4.018 CV 1
OR { 315}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HA2 ))
ASSI { 317}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HB3 ))
3.200 1.300 1.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.22313E-02 ppm1 6.889 ppm2 1.447 CV 1
OR { 317}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HB2 ))
ASSI { 318}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HG2 ))
3.600 1.600 1.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.45170E-03 ppm1 6.889 ppm2 1.878 CV 1
OR { 318}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HG3 ))
ASSI { 319}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HD3 ))
4.200 2.200 1.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.89412E-03 ppm1 6.890 ppm2 3.449 CV 1
ASSI { 320}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB3 ))
3.000 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.16958E-02 ppm1 6.893 ppm2 3.240 CV 1
OR { 320}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB2 ))
ASSI { 321}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
2.900 1.000 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 6.893 ppm2 4.888 CV 1
ASSI { 322}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HG3 ))
2.700 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.25966E-02 ppm1 6.894 ppm2 0.939 CV 1
OR { 322}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HG2 ))
ASSI { 324}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HN ))
4.400 2.500 1.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.39134E-03 ppm1 6.898 ppm2 8.159 CV 1
ASSI { 325}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.200 0.600 0.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.97341E-02 ppm1 8.795 ppm2 4.780 CV 1
ASSI { 326}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 16 and name HD1%)
3.500 1.500 1.500 peak 326 spectrum 1 weight 0.10000E+01 volume 0.16924E-02 ppm1 8.795 ppm2 0.656 CV 1
OR { 326}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 16 and name HG2%)
ASSI { 327}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG12))
2.800 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.18256E-02 ppm1 8.795 ppm2 1.327 CV 1
ASSI { 328}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB ))
2.800 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.22777E-02 ppm1 8.795 ppm2 1.723 CV 1
ASSI { 329}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
3.000 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 8.796 ppm2 4.976 CV 1
ASSI { 330}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.600 1.600 1.600 peak 330 spectrum 1 weight 0.10000E+01 volume 0.12624E-02 ppm1 8.797 ppm2 1.624 CV 1
OR { 330}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 331}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.500 1.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.12624E-02 ppm1 8.797 ppm2 1.624 CV 1
ASSI { 332}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG13))
3.100 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 8.801 ppm2 1.031 CV 1
ASSI { 334}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.29062E-02 ppm1 8.328 ppm2 3.902 CV 1
ASSI { 335}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB ))
2.200 0.600 0.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.91234E-02 ppm1 8.329 ppm2 1.819 CV 1
ASSI { 339}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 20 and name HB% )
3.900 1.900 1.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.64979E-03 ppm1 8.332 ppm2 1.524 CV 1
ASSI { 340}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG12))
3.200 1.300 1.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.24259E-02 ppm1 8.333 ppm2 0.808 CV 1
OR { 340}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HG2%)
ASSI { 341}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 49 and name HD1%)
3.500 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.10696E-02 ppm1 8.335 ppm2 0.673 CV 1
OR { 341}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 49 and name HG2%)
ASSI { 343}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
2.200 0.600 0.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.60181E-02 ppm1 8.609 ppm2 4.516 CV 1
ASSI { 344}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 60 and name HA ))
2.400 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.49229E-02 ppm1 8.609 ppm2 4.951 CV 1
ASSI { 345}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HG12))
3.200 1.300 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.27896E-02 ppm1 8.610 ppm2 1.334 CV 1
ASSI { 350}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB ))
2.400 0.700 0.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.32828E-02 ppm1 9.010 ppm2 1.566 CV 1
ASSI { 351}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 35 and name HD1%)
4.400 2.400 1.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.15734E-02 ppm1 9.013 ppm2 0.707 CV 1
ASSI { 352}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 84 and name HA ))
3.300 1.400 1.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.93563E-03 ppm1 9.014 ppm2 5.119 CV 1
ASSI { 353}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
3.500 1.600 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.69409E-03 ppm1 7.132 ppm2 4.316 CV 1
ASSI { 354}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.800 1.800 1.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.45620E-03 ppm1 7.133 ppm2 2.606 CV 1
OR { 354}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB3 ))
ASSI { 355}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HG3 ))
4.300 2.300 1.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.55395E-03 ppm1 7.134 ppm2 1.404 CV 1
OR { 355}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HG2 ))
ASSI { 356}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 47 and name HN ))
4.000 2.000 2.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.41090E-03 ppm1 7.135 ppm2 8.197 CV 1
ASSI { 357}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 42 and name HB3 ))
3.200 1.300 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.13754E-02 ppm1 7.137 ppm2 1.766 CV 1
ASSI { 358}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG12))
2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.15324E-02 ppm1 7.137 ppm2 1.160 CV 1
OR { 358}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG13))
ASSI { 359}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG12))
2.400 0.700 0.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.24971E-02 ppm1 7.138 ppm2 1.596 CV 1
ASSI { 360}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB ))
2.300 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.64321E-02 ppm1 7.141 ppm2 2.092 CV 1
ASSI { 361}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 45 and name HD1%)
3.700 1.700 1.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.16274E-02 ppm1 7.141 ppm2 0.826 CV 1
OR { 361}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 45 and name HG2%)
ASSI { 363}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 7.142 ppm2 3.858 CV 1
ASSI { 364}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
2.400 0.700 0.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.41159E-02 ppm1 7.142 ppm2 7.752 CV 1
ASSI { 366}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB3 ))
3.200 1.300 1.300 peak 366 spectrum 1 weight 0.10000E+01 volume 0.89224E-03 ppm1 8.362 ppm2 2.586 CV 1
ASSI { 367}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
3.700 1.700 1.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.60257E-03 ppm1 8.363 ppm2 4.568 CV 1
ASSI { 369}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG13))
2.200 0.600 0.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.90857E-02 ppm1 8.367 ppm2 1.921 CV 1
OR { 369}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB ))
OR { 369}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG12))
ASSI { 370}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 49 and name HD1%)
3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.29905E-02 ppm1 8.367 ppm2 0.685 CV 1
OR { 370}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 49 and name HG2%)
ASSI { 372}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
2.900 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.19640E-02 ppm1 8.368 ppm2 3.455 CV 1
ASSI { 373}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB3 ))
3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.15291E-02 ppm1 8.369 ppm2 2.918 CV 1
OR { 373}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB2 ))
ASSI { 376}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HG12))
4.100 2.100 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10397E-02 ppm1 8.201 ppm2 1.069 CV 1
ASSI { 378}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HB ))
2.200 0.600 0.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.71582E-02 ppm1 8.202 ppm2 1.486 CV 1
ASSI { 379}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 58 and name HG2%)
3.900 1.900 1.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.12818E-02 ppm1 8.202 ppm2 0.719 CV 1
ASSI { 380}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA ))
2.700 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 8.202 ppm2 4.370 CV 1
ASSI { 381}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA1 ))
3.000 1.200 1.200 peak 381 spectrum 1 weight 0.10000E+01 volume 0.22880E-02 ppm1 8.203 ppm2 3.868 CV 1
ASSI { 382}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA2 ))
2.800 1.000 1.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.31114E-02 ppm1 8.203 ppm2 4.022 CV 1
ASSI { 384}
(( segid " " and resid 93 and name HN ))
( segid " " and resid 93 and name HD1%)
4.400 2.500 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.79969E-03 ppm1 7.557 ppm2 0.431 CV 1
ASSI { 385}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB2 ))
3.400 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.14300E-02 ppm1 7.558 ppm2 1.281 CV 1
OR { 385}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB3 ))
ASSI { 386}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HA ))
2.900 1.000 1.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.18077E-02 ppm1 7.559 ppm2 4.614 CV 1
ASSI { 388}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 91 and name HA ))
3.600 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 7.561 ppm2 5.701 CV 1
ASSI { 389}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 94 and name HN ))
2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.18732E-02 ppm1 7.562 ppm2 8.311 CV 1
ASSI { 390}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HN ))
2.800 1.000 1.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.24764E-02 ppm1 7.562 ppm2 9.450 CV 1
ASSI { 391}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 91 and name HB2 ))
2.900 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.18535E-02 ppm1 7.563 ppm2 4.381 CV 1
OR { 391}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 91 and name HB3 ))
ASSI { 392}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HA ))
2.600 0.800 0.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.32605E-02 ppm1 7.563 ppm2 3.606 CV 1
ASSI { 393}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 6 and name HB3 ))
3.000 3.000 3.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.21031E-02 ppm1 7.564 ppm2 1.679 CV 1
OR { 393}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 394}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB ))
2.200 0.600 0.600 peak 394 spectrum 1 weight 0.10000E+01 volume 0.79764E-02 ppm1 7.565 ppm2 1.528 CV 1
ASSI { 395}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB2 ))
4.100 2.100 1.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.46381E-03 ppm1 7.568 ppm2 2.155 CV 1
ASSI { 396}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 85 and name HG1%)
3.900 1.900 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.44106E-03 ppm1 9.284 ppm2 0.461 CV 1
ASSI { 397}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.200 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.12952E-02 ppm1 9.289 ppm2 1.760 CV 1
OR { 397}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 398}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 86 and name HB ))
3.200 1.300 1.300 peak 398 spectrum 1 weight 0.10000E+01 volume 0.17338E-02 ppm1 9.289 ppm2 1.596 CV 1
ASSI { 399}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 87 and name HB2 ))
2.700 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.33073E-02 ppm1 9.289 ppm2 2.643 CV 1
OR { 399}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 87 and name HB3 ))
ASSI { 400}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 10 and name HA ))
4.500 2.500 1.500 peak 400 spectrum 1 weight 0.10000E+01 volume 0.40089E-03 ppm1 9.289 ppm2 3.884 CV 1
ASSI { 401}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA1 ))
3.100 1.200 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.45756E-02 ppm1 9.289 ppm2 3.513 CV 1
ASSI { 402}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.900 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 9.290 ppm2 4.775 CV 1
ASSI { 403}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
3.700 1.700 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 9.290 ppm2 7.872 CV 1
ASSI { 405}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG2 ))
3.900 1.900 1.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.58947E-03 ppm1 9.294 ppm2 1.321 CV 1
OR { 405}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 406}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 16 and name HD1%)
3.600 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.63717E-03 ppm1 9.299 ppm2 0.642 CV 1
ASSI { 408}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.200 0.600 0.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.96161E-02 ppm1 8.471 ppm2 1.574 CV 1
OR { 408}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 409}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.400 1.400 1.400 peak 409 spectrum 1 weight 0.10000E+01 volume 0.10659E-02 ppm1 8.471 ppm2 3.891 CV 1
ASSI { 410}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.700 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.25884E-02 ppm1 8.471 ppm2 7.985 CV 1
ASSI { 411}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
2.700 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.28819E-02 ppm1 8.471 ppm2 4.032 CV 1
ASSI { 412}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.800 1.000 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.28894E-02 ppm1 8.471 ppm2 1.818 CV 1
OR { 412}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB3 ))
ASSI { 415}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 52 and name HB3 ))
3.700 1.700 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.70455E-03 ppm1 8.278 ppm2 2.750 CV 1
OR { 415}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 52 and name HB2 ))
ASSI { 416}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HG3 ))
3.400 1.400 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.22516E-02 ppm1 8.281 ppm2 0.988 CV 1
OR { 416}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HG2 ))
ASSI { 417}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
2.500 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.45748E-02 ppm1 8.282 ppm2 3.825 CV 1
ASSI { 419}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB3 ))
2.600 0.800 0.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.44764E-02 ppm1 8.285 ppm2 1.333 CV 1
ASSI { 420}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.500 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.40501E-02 ppm1 8.287 ppm2 1.471 CV 1
OR { 420}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB3 ))
ASSI { 421}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 86 and name HG2%)
4.200 2.200 1.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.76530E-03 ppm1 8.478 ppm2 0.585 CV 1
ASSI { 422}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 86 and name HA ))
2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.18378E-02 ppm1 8.479 ppm2 3.797 CV 1
ASSI { 423}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB3 ))
3.100 1.200 1.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.29925E-02 ppm1 8.480 ppm2 1.284 CV 1
ASSI { 424}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
2.900 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 8.481 ppm2 4.422 CV 1
ASSI { 426}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HG2 ))
2.900 1.000 1.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21325E-02 ppm1 8.483 ppm2 1.458 CV 1
OR { 426}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HG3 ))
ASSI { 427}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.14513E-02 ppm1 8.484 ppm2 1.945 CV 1
OR { 427}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB3 ))
ASSI { 429}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.200 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.50839E-02 ppm1 8.484 ppm2 4.620 CV 1
ASSI { 430}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 86 and name HB ))
4.500 2.600 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.73835E-03 ppm1 8.490 ppm2 1.621 CV 1
ASSI { 431}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
3.400 1.500 1.500 peak 431 spectrum 1 weight 0.10000E+01 volume 0.72202E-03 ppm1 7.748 ppm2 3.871 CV 1
ASSI { 432}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 45 and name HG2%)
3.400 1.400 1.400 peak 432 spectrum 1 weight 0.10000E+01 volume 0.14807E-02 ppm1 7.749 ppm2 0.839 CV 1
ASSI { 433}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HG3 ))
2.500 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.34323E-02 ppm1 7.750 ppm2 1.399 CV 1
OR { 433}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HG2 ))
ASSI { 434}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB ))
2.400 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.37996E-02 ppm1 7.750 ppm2 2.088 CV 1
ASSI { 436}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HA ))
3.200 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 7.751 ppm2 4.076 CV 1
ASSI { 437}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HG3 ))
2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 7.751 ppm2 1.197 CV 1
ASSI { 438}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA ))
2.800 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.24785E-02 ppm1 7.751 ppm2 3.646 CV 1
ASSI { 440}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
2.500 0.800 0.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.41904E-02 ppm1 7.754 ppm2 1.767 CV 1
OR { 440}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB3 ))
ASSI { 441}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 11 and name HN ))
4.000 2.000 2.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.51792E-03 ppm1 7.618 ppm2 8.134 CV 1
ASSI { 442}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 7 and name HA ))
3.700 1.700 1.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.69059E-03 ppm1 7.621 ppm2 3.631 CV 1
ASSI { 443}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG2 ))
3.700 1.700 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.10346E-02 ppm1 7.621 ppm2 1.171 CV 1
OR { 443}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 444}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
2.200 0.600 0.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.86787E-02 ppm1 7.623 ppm2 1.512 CV 1
OR { 444}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB3 ))
ASSI { 445}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
3.400 1.500 1.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.94258E-03 ppm1 7.623 ppm2 3.854 CV 1
ASSI { 446}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.34061E-02 ppm1 7.623 ppm2 4.017 CV 1
ASSI { 447}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
2.600 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.37368E-02 ppm1 7.623 ppm2 1.738 CV 1
OR { 447}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 448}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HA ))
3.200 1.300 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.13182E-02 ppm1 7.624 ppm2 4.216 CV 1
ASSI { 451}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HB3 ))
3.300 1.300 1.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.13707E-02 ppm1 8.086 ppm2 1.730 CV 1
ASSI { 453}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HA2 ))
2.900 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.25583E-02 ppm1 8.087 ppm2 4.013 CV 1
OR { 453}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HA1 ))
ASSI { 454}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HA ))
3.300 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.93455E-03 ppm1 8.093 ppm2 4.409 CV 1
ASSI { 455}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
2.300 0.700 0.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.56748E-02 ppm1 7.006 ppm2 8.478 CV 1
ASSI { 456}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 85 and name HN ))
3.100 1.200 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.13367E-02 ppm1 7.006 ppm2 9.025 CV 1
ASSI { 457}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG2 ))
4.200 2.200 1.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.64273E-03 ppm1 7.007 ppm2 1.454 CV 1
OR { 457}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG3 ))
ASSI { 458}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HG ))
3.400 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.17560E-02 ppm1 7.007 ppm2 1.274 CV 1
ASSI { 459}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 34 and name HD2%)
3.800 1.800 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.18358E-02 ppm1 7.007 ppm2 0.647 CV 1
ASSI { 460}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 32 and name HB% )
2.600 0.800 0.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.40858E-02 ppm1 7.007 ppm2 1.004 CV 1
ASSI { 461}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB3 ))
3.100 1.200 1.200 peak 461 spectrum 1 weight 0.10000E+01 volume 0.12408E-02 ppm1 7.008 ppm2 1.682 CV 1
OR { 461}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 462}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
2.900 1.100 1.100 peak 462 spectrum 1 weight 0.10000E+01 volume 0.15185E-02 ppm1 7.008 ppm2 4.520 CV 1
ASSI { 463}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 85 and name HB ))
2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.20106E-02 ppm1 7.008 ppm2 2.019 CV 1
ASSI { 464}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HN ))
2.700 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.29522E-02 ppm1 7.264 ppm2 7.898 CV 1
ASSI { 466}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HG ))
2.200 0.600 0.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.59292E-02 ppm1 7.265 ppm2 1.482 CV 1
ASSI { 467}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB2 ))
2.400 0.700 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.65237E-02 ppm1 7.265 ppm2 1.834 CV 1
OR { 467}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB3 ))
ASSI { 468}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 55 and name HD2%)
4.200 2.200 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.70213E-03 ppm1 7.265 ppm2 0.664 CV 1
ASSI { 469}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HN ))
2.500 0.800 0.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.35854E-02 ppm1 7.265 ppm2 7.594 CV 1
ASSI { 470}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.200 1.300 1.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.88464E-03 ppm1 8.636 ppm2 1.703 CV 1
ASSI { 471}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 73 and name HG ))
4.500 2.600 1.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.35630E-03 ppm1 8.639 ppm2 1.911 CV 1
ASSI { 472}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB3 ))
2.400 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.43747E-02 ppm1 8.640 ppm2 0.562 CV 1
ASSI { 474}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.19988E-02 ppm1 8.641 ppm2 1.519 CV 1
OR { 474}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB3 ))
ASSI { 475}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.700 0.900 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.30072E-02 ppm1 8.641 ppm2 3.621 CV 1
ASSI { 478}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.600 1.600 1.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.66585E-03 ppm1 8.642 ppm2 4.231 CV 1
ASSI { 479}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
2.800 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.23103E-02 ppm1 8.642 ppm2 7.474 CV 1
ASSI { 480}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HD1%)
3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.27165E-02 ppm1 8.642 ppm2 0.445 CV 1
OR { 480}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HD2%)
ASSI { 481}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 5 and name HA ))
4.400 2.400 1.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.20841E-03 ppm1 8.644 ppm2 3.979 CV 1
ASSI { 482}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 67 and name HA ))
3.300 1.300 1.300 peak 482 spectrum 1 weight 0.10000E+01 volume 0.11437E-02 ppm1 8.967 ppm2 4.483 CV 1
ASSI { 483}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
3.700 1.700 1.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.56306E-03 ppm1 8.971 ppm2 3.989 CV 1
ASSI { 484}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 63 and name HE% )
2.800 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.15028E-02 ppm1 8.971 ppm2 7.258 CV 1
ASSI { 485}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 70 and name HD1%)
4.500 2.600 1.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.62682E-03 ppm1 8.972 ppm2 0.288 CV 1
ASSI { 486}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 70 and name HD2%)
4.500 2.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.73678E-03 ppm1 8.972 ppm2 0.552 CV 1
ASSI { 487}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB3 ))
3.100 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.11665E-02 ppm1 8.973 ppm2 2.556 CV 1
OR { 487}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB2 ))
ASSI { 489}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
2.700 0.900 0.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.22689E-02 ppm1 8.973 ppm2 3.797 CV 1
ASSI { 490}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB2 ))
2.500 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 8.973 ppm2 2.282 CV 1
OR { 490}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB3 ))
ASSI { 491}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB3 ))
2.500 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.34040E-02 ppm1 8.973 ppm2 1.356 CV 1
ASSI { 493}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 70 and name HA ))
3.200 1.200 1.200 peak 493 spectrum 1 weight 0.10000E+01 volume 0.12681E-02 ppm1 8.301 ppm2 3.802 CV 1
ASSI { 494}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB2 ))
2.200 0.600 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.76406E-02 ppm1 8.306 ppm2 1.904 CV 1
OR { 494}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB3 ))
ASSI { 495}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 72 and name HG2%)
3.400 1.500 1.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.11294E-02 ppm1 8.306 ppm2 1.200 CV 1
ASSI { 496}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 73 and name HD2%)
3.800 1.800 1.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.16716E-02 ppm1 8.306 ppm2 0.880 CV 1
OR { 496}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 73 and name HD1%)
ASSI { 497}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB3 ))
2.800 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 8.306 ppm2 1.458 CV 1
ASSI { 498}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 74 and name HN ))
2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.24058E-02 ppm1 8.306 ppm2 7.182 CV 1
ASSI { 499}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB ))
2.700 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.25381E-02 ppm1 8.306 ppm2 4.240 CV 1
ASSI { 502}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 71 and name HA1 ))
3.600 1.600 1.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.41739E-03 ppm1 7.176 ppm2 3.540 CV 1
ASSI { 505}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB2 ))
2.400 0.700 0.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.49883E-02 ppm1 7.178 ppm2 1.700 CV 1
OR { 505}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB3 ))
ASSI { 506}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 74 and name HD2%)
4.000 2.000 2.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.77004E-03 ppm1 7.179 ppm2 0.600 CV 1
ASSI { 507}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HA ))
3.400 1.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.95164E-03 ppm1 7.179 ppm2 4.022 CV 1
ASSI { 508}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB3 ))
2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 7.179 ppm2 1.459 CV 1
ASSI { 510}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 74 and name HD1%)
3.900 1.900 1.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.12898E-02 ppm1 7.180 ppm2 0.734 CV 1
ASSI { 511}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB3 ))
2.800 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.18568E-02 ppm1 7.180 ppm2 1.923 CV 1
OR { 511}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB2 ))
ASSI { 512}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA ))
2.900 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.17050E-02 ppm1 7.182 ppm2 4.204 CV 1
ASSI { 513}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 80 and name HG2%)
4.400 2.400 1.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.51392E-03 ppm1 7.186 ppm2 0.927 CV 1
ASSI { 514}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 20 and name HA ))
4.400 2.400 1.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.32603E-03 ppm1 9.121 ppm2 3.839 CV 1
ASSI { 515}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HA ))
2.900 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.17042E-02 ppm1 9.126 ppm2 4.733 CV 1
ASSI { 517}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HG ))
2.300 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.38846E-02 ppm1 9.126 ppm2 1.611 CV 1
ASSI { 518}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HA ))
2.200 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.65372E-02 ppm1 9.127 ppm2 5.215 CV 1
ASSI { 519}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 37 and name HA ))
3.500 1.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.13097E-02 ppm1 9.127 ppm2 4.949 CV 1
ASSI { 521}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 83 and name HD2%)
3.700 1.700 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.21593E-02 ppm1 9.131 ppm2 0.709 CV 1
ASSI { 523}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 92 and name HA ))
3.300 1.300 1.300 peak 523 spectrum 1 weight 0.10000E+01 volume 0.90916E-03 ppm1 8.312 ppm2 4.619 CV 1
ASSI { 525}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HB2 ))
2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.72379E-02 ppm1 8.313 ppm2 1.616 CV 1
OR { 525}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HB3 ))
ASSI { 528}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HA ))
3.600 1.600 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.57891E-03 ppm1 8.316 ppm2 3.590 CV 1
ASSI { 529}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HA ))
2.700 0.900 0.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.24229E-02 ppm1 8.319 ppm2 4.013 CV 1
ASSI { 530}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HB2 ))
2.300 0.600 0.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.82831E-02 ppm1 7.378 ppm2 1.461 CV 1
OR { 530}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HB3 ))
ASSI { 531}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 97 and name HN ))
2.800 1.000 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.20283E-02 ppm1 7.378 ppm2 7.810 CV 1
ASSI { 532}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HB3 ))
3.700 1.700 1.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.15346E-02 ppm1 7.379 ppm2 1.056 CV 1
ASSI { 533}
(( segid " " and resid 96 and name HN ))
( segid " " and resid 96 and name HD2%)
3.600 1.600 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 7.379 ppm2 0.603 CV 1
ASSI { 535}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HA ))
2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.29136E-02 ppm1 7.379 ppm2 4.022 CV 1
ASSI { 536}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HA ))
3.700 1.700 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.77037E-03 ppm1 7.381 ppm2 4.195 CV 1
ASSI { 537}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.200 0.600 0.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.90345E-02 ppm1 8.905 ppm2 4.443 CV 1
ASSI { 540}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB ))
3.700 1.700 1.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.13289E-02 ppm1 8.905 ppm2 1.665 CV 1
ASSI { 541}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG2 ))
3.200 1.200 1.200 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19186E-02 ppm1 8.905 ppm2 2.415 CV 1
ASSI { 543}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.800 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.27446E-02 ppm1 8.906 ppm2 2.165 CV 1
OR { 543}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 544}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.11947E-02 ppm1 8.907 ppm2 1.969 CV 1
ASSI { 545}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HG2%)
4.500 2.500 1.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.76724E-03 ppm1 8.910 ppm2 0.626 CV 1
ASSI { 547}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HN ))
2.700 0.900 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.25727E-02 ppm1 7.829 ppm2 8.276 CV 1
ASSI { 549}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 26 and name HA ))
3.300 1.400 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.98942E-03 ppm1 7.830 ppm2 3.983 CV 1
ASSI { 550}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB3 ))
2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.20268E-02 ppm1 7.830 ppm2 1.295 CV 1
ASSI { 551}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB3 ))
2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.20475E-02 ppm1 7.830 ppm2 1.512 CV 1
OR { 551}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 552}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
2.900 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.21921E-02 ppm1 7.830 ppm2 4.411 CV 1
ASSI { 553}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HG2 ))
2.900 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.26739E-02 ppm1 7.830 ppm2 2.496 CV 1
OR { 553}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HG3 ))
ASSI { 555}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB3 ))
2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.44243E-02 ppm1 7.830 ppm2 2.002 CV 1
OR { 555}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 556}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
3.400 1.500 1.500 peak 556 spectrum 1 weight 0.10000E+01 volume 0.93638E-03 ppm1 7.688 ppm2 3.956 CV 1
ASSI { 557}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 66 and name HA ))
3.000 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.14827E-02 ppm1 7.692 ppm2 4.507 CV 1
ASSI { 558}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
2.900 1.000 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.15449E-02 ppm1 7.692 ppm2 8.204 CV 1
ASSI { 559}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
3.000 1.100 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.16420E-02 ppm1 7.693 ppm2 4.920 CV 1
ASSI { 561}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB3 ))
3.100 1.200 1.200 peak 561 spectrum 1 weight 0.10000E+01 volume 0.37619E-02 ppm1 7.693 ppm2 1.533 CV 1
OR { 561}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HG3 ))
ASSI { 562}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB2 ))
3.500 1.500 1.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.56920E-03 ppm1 7.695 ppm2 1.965 CV 1
OR { 562}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB3 ))
ASSI { 563}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.000 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.13515E-02 ppm1 7.695 ppm2 2.547 CV 1
OR { 563}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB3 ))
ASSI { 564}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.100 1.200 1.200 peak 564 spectrum 1 weight 0.10000E+01 volume 0.95288E-03 ppm1 7.703 ppm2 3.193 CV 1
ASSI { 565}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 16 and name HD1%)
3.200 1.300 1.300 peak 565 spectrum 1 weight 0.10000E+01 volume 0.16174E-02 ppm1 8.123 ppm2 0.658 CV 1
ASSI { 566}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB3 ))
2.500 0.800 0.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.51989E-02 ppm1 8.123 ppm2 1.752 CV 1
OR { 566}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 568}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.800 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.25744E-02 ppm1 8.126 ppm2 3.730 CV 1
ASSI { 570}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HB% )
2.600 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.38893E-02 ppm1 8.127 ppm2 1.338 CV 1
ASSI { 571}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 8 and name HA ))
2.900 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.22236E-02 ppm1 8.131 ppm2 3.856 CV 1
ASSI { 572}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 24 and name HG2%)
3.400 1.400 1.400 peak 572 spectrum 1 weight 0.10000E+01 volume 0.17595E-02 ppm1 7.501 ppm2 0.777 CV 1
ASSI { 573}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HA ))
2.900 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.20098E-02 ppm1 7.501 ppm2 4.017 CV 1
ASSI { 574}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.700 0.900 0.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.33399E-02 ppm1 7.502 ppm2 3.790 CV 1
ASSI { 575}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB3 ))
2.300 0.600 0.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.78664E-02 ppm1 7.503 ppm2 2.069 CV 1
OR { 575}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 576}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG3 ))
4.000 2.000 2.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.82292E-03 ppm1 7.504 ppm2 2.290 CV 1
ASSI { 577}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB ))
2.500 0.800 0.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.36377E-02 ppm1 7.504 ppm2 1.829 CV 1
ASSI { 579}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HN ))
4.100 2.100 1.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.43689E-03 ppm1 7.506 ppm2 7.985 CV 1
ASSI { 580}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.500 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.30535E-02 ppm1 7.507 ppm2 8.209 CV 1
ASSI { 581}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.600 0.900 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.30118E-02 ppm1 7.508 ppm2 8.316 CV 1
ASSI { 582}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.26291E-02 ppm1 8.773 ppm2 8.467 CV 1
ASSI { 583}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.700 0.900 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.31098E-02 ppm1 8.773 ppm2 3.887 CV 1
ASSI { 584}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.900 1.000 1.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.37731E-02 ppm1 8.773 ppm2 1.787 CV 1
OR { 584}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 585}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HB% )
2.600 0.800 0.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.43066E-02 ppm1 8.773 ppm2 1.539 CV 1
ASSI { 589}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
4.400 2.500 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.47940E-03 ppm1 8.202 ppm2 8.568 CV 1
ASSI { 590}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 65 and name HN ))
4.000 2.000 2.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.36598E-03 ppm1 8.203 ppm2 5.583 CV 1
ASSI { 591}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HA ))
2.100 0.600 0.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.56963E-02 ppm1 8.204 ppm2 4.589 CV 1
ASSI { 594}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HG2 ))
2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.60537E-02 ppm1 8.205 ppm2 1.516 CV 1
OR { 594}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HG3 ))
ASSI { 595}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.600 0.900 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.31470E-02 ppm1 8.205 ppm2 3.961 CV 1
ASSI { 598}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 63 and name HB3 ))
4.200 2.200 1.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.44098E-03 ppm1 8.212 ppm2 2.567 CV 1
OR { 598}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 599}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HD2 ))
4.300 2.300 1.700 peak 599 spectrum 1 weight 0.10000E+01 volume 0.43463E-03 ppm1 8.407 ppm2 3.310 CV 1
OR { 599}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HD3 ))
ASSI { 600}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB3 ))
2.900 1.000 1.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.55654E-02 ppm1 8.416 ppm2 1.758 CV 1
ASSI { 601}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
2.100 0.600 0.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.96042E-02 ppm1 8.416 ppm2 4.214 CV 1
ASSI { 602}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 45 and name HD1%)
4.000 2.000 2.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.14289E-02 ppm1 8.416 ppm2 0.840 CV 1
ASSI { 604}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 81 and name HB2 ))
3.800 1.800 1.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.62488E-03 ppm1 8.417 ppm2 3.927 CV 1
OR { 604}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 81 and name HB3 ))
ASSI { 605}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB2 ))
2.600 0.800 0.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.32339E-02 ppm1 8.417 ppm2 2.026 CV 1
OR { 605}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB3 ))
ASSI { 606}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
2.600 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.26961E-02 ppm1 8.418 ppm2 4.363 CV 1
ASSI { 610}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 53 and name HB% )
2.600 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.32905E-02 ppm1 7.594 ppm2 1.511 CV 1
ASSI { 614}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB2 ))
2.400 0.700 0.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.67253E-02 ppm1 7.596 ppm2 1.908 CV 1
OR { 614}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB3 ))
ASSI { 617}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 50 and name HA ))
3.700 1.700 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.49550E-03 ppm1 7.602 ppm2 3.849 CV 1
ASSI { 618}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 74 and name HB2 ))
3.200 1.300 1.300 peak 618 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 8.174 ppm2 1.741 CV 1
OR { 618}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 74 and name HB3 ))
ASSI { 619}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
2.800 1.000 1.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.20237E-02 ppm1 8.176 ppm2 4.622 CV 1
ASSI { 620}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
2.300 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.64483E-02 ppm1 8.177 ppm2 1.449 CV 1
OR { 620}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB3 ))
ASSI { 621}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HG3 ))
3.600 1.700 1.700 peak 621 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 8.177 ppm2 0.934 CV 1
OR { 621}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HG2 ))
ASSI { 622}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 74 and name HA ))
4.300 2.400 1.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.48679E-03 ppm1 8.177 ppm2 4.195 CV 1
ASSI { 623}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 71 and name HA1 ))
3.500 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.57271E-03 ppm1 8.179 ppm2 3.494 CV 1
ASSI { 624}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA2 ))
3.100 1.200 1.200 peak 624 spectrum 1 weight 0.10000E+01 volume 0.24913E-02 ppm1 8.180 ppm2 3.989 CV 1
ASSI { 626}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HD3 ))
4.600 2.700 1.400 peak 626 spectrum 1 weight 0.10000E+01 volume 0.41330E-03 ppm1 8.183 ppm2 3.079 CV 1
OR { 626}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HD2 ))
ASSI { 628}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.500 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.42768E-02 ppm1 7.469 ppm2 7.629 CV 1
ASSI { 629}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 7 and name HD2%)
4.100 2.100 1.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.10973E-02 ppm1 7.470 ppm2 0.458 CV 1
OR { 629}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 7 and name HD1%)
ASSI { 630}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB3 ))
2.800 1.000 1.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.14487E-02 ppm1 7.470 ppm2 0.558 CV 1
ASSI { 631}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
2.300 0.700 0.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.80276E-02 ppm1 7.471 ppm2 1.735 CV 1
OR { 631}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 633}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB3 ))
2.600 0.900 0.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.30087E-02 ppm1 7.471 ppm2 1.281 CV 1
OR { 633}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 634}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG2 ))
2.500 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.34610E-02 ppm1 7.472 ppm2 1.558 CV 1
ASSI { 635}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 73 and name HD2%)
4.300 2.400 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.27652E-03 ppm1 7.473 ppm2 0.853 CV 1
ASSI { 636}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
2.800 1.000 1.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.21816E-02 ppm1 7.474 ppm2 3.843 CV 1
ASSI { 637}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HD2 ))
4.600 2.600 1.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.32797E-03 ppm1 7.475 ppm2 3.156 CV 1
OR { 637}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HD3 ))
ASSI { 640}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HB3 ))
3.300 1.400 1.400 peak 640 spectrum 1 weight 0.10000E+01 volume 0.12876E-02 ppm1 9.440 ppm2 3.621 CV 1
OR { 640}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HB2 ))
ASSI { 641}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HA ))
3.000 1.100 1.100 peak 641 spectrum 1 weight 0.10000E+01 volume 0.18568E-02 ppm1 9.442 ppm2 4.618 CV 1
ASSI { 644}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB2 ))
2.900 1.000 1.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.28502E-02 ppm1 9.443 ppm2 1.267 CV 1
OR { 644}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB3 ))
ASSI { 645}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HB ))
3.400 3.400 2.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.19399E-02 ppm1 9.446 ppm2 1.556 CV 1
ASSI { 649}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.900 2.900 3.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.82890E-03 ppm1 7.996 ppm2 1.787 CV 1
OR { 649}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HB3 ))
ASSI { 650}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 84 and name HB% )
4.100 2.100 1.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.58289E-03 ppm1 7.998 ppm2 0.960 CV 1
ASSI { 651}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB3 ))
3.100 1.200 1.200 peak 651 spectrum 1 weight 0.10000E+01 volume 0.13493E-02 ppm1 7.998 ppm2 3.352 CV 1
OR { 651}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 652}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.700 0.900 0.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.29282E-02 ppm1 7.998 ppm2 1.576 CV 1
OR { 652}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 653}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 82 and name HB% )
4.100 2.100 1.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.51434E-03 ppm1 7.998 ppm2 1.099 CV 1
ASSI { 654}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.26645E-02 ppm1 7.999 ppm2 8.331 CV 1
ASSI { 656}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.600 0.800 0.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.38131E-02 ppm1 7.999 ppm2 3.962 CV 1
ASSI { 657}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 49 and name HD1%)
4.000 2.000 2.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.66633E-03 ppm1 8.003 ppm2 0.679 CV 1
ASSI { 658}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
3.000 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.17121E-02 ppm1 7.900 ppm2 4.472 CV 1
ASSI { 659}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB2 ))
2.800 1.000 1.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.20792E-02 ppm1 7.900 ppm2 1.815 CV 1
OR { 659}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB3 ))
ASSI { 661}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HG ))
3.600 1.600 1.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.20745E-02 ppm1 7.901 ppm2 1.505 CV 1
ASSI { 662}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB2 ))
2.400 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.62957E-02 ppm1 7.903 ppm2 3.988 CV 1
OR { 662}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB3 ))
ASSI { 664}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 66 and name HG2%)
3.900 1.900 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 9.661 ppm2 1.244 CV 1
ASSI { 665}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB3 ))
2.800 1.000 1.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.22938E-02 ppm1 9.661 ppm2 3.659 CV 1
OR { 665}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB2 ))
ASSI { 667}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
2.700 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.20058E-02 ppm1 9.662 ppm2 7.759 CV 1
ASSI { 669}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 69 and name HN ))
3.600 1.600 1.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 9.664 ppm2 7.603 CV 1
ASSI { 670}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 80 and name HG2%)
4.600 2.700 1.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.65620E-03 ppm1 9.317 ppm2 0.930 CV 1
ASSI { 671}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA ))
2.200 0.600 0.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.70304E-02 ppm1 9.319 ppm2 4.373 CV 1
ASSI { 672}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 80 and name HG1%)
3.000 1.100 1.100 peak 672 spectrum 1 weight 0.10000E+01 volume 0.16176E-02 ppm1 9.319 ppm2 0.763 CV 1
ASSI { 675}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HB ))
4.100 2.100 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.65324E-03 ppm1 9.321 ppm2 1.588 CV 1
ASSI { 676}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB3 ))
2.800 1.000 1.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.23085E-02 ppm1 9.321 ppm2 3.924 CV 1
OR { 676}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB2 ))
ASSI { 677}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HN ))
4.600 2.600 1.400 peak 677 spectrum 1 weight 0.10000E+01 volume 0.37353E-03 ppm1 9.323 ppm2 7.920 CV 1
ASSI { 679}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 67 and name HB2 ))
4.100 2.100 1.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.38663E-03 ppm1 9.326 ppm2 3.651 CV 1
OR { 679}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 67 and name HB3 ))
ASSI { 680}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 92 and name HA ))
4.100 2.100 1.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.40092E-03 ppm1 7.776 ppm2 4.637 CV 1
ASSI { 681}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 10 and name HA ))
3.500 1.600 1.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.88555E-03 ppm1 7.780 ppm2 3.908 CV 1
ASSI { 682}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 13 and name HG2%)
2.900 2.900 3.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.81456E-03 ppm1 7.781 ppm2 1.174 CV 1
ASSI { 683}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 88 and name HB2 ))
3.600 1.600 1.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.64742E-03 ppm1 7.782 ppm2 2.070 CV 1
OR { 683}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 88 and name HB3 ))
ASSI { 684}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB3 ))
3.400 1.400 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 7.782 ppm2 1.540 CV 1
ASSI { 685}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HA ))
2.800 1.000 1.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.28924E-02 ppm1 7.783 ppm2 5.689 CV 1
ASSI { 686}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HN ))
2.800 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.29958E-02 ppm1 7.783 ppm2 8.578 CV 1
ASSI { 687}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HB2 ))
2.600 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.48023E-02 ppm1 7.783 ppm2 3.620 CV 1
OR { 687}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HB3 ))
ASSI { 688}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HA ))
2.600 0.800 0.800 peak 688 spectrum 1 weight 0.10000E+01 volume 0.49627E-02 ppm1 7.783 ppm2 4.385 CV 1
ASSI { 689}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB3 ))
3.700 1.700 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.87429E-03 ppm1 7.784 ppm2 2.253 CV 1
OR { 689}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB2 ))
ASSI { 690}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 10 and name HB% )
3.900 1.900 1.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.76190E-03 ppm1 7.786 ppm2 1.333 CV 1
ASSI { 691}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 93 and name HG2%)
4.300 2.300 1.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.36844E-03 ppm1 7.791 ppm2 0.632 CV 1
ASSI { 692}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HA ))
3.600 1.600 1.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.65297E-03 ppm1 7.846 ppm2 3.945 CV 1
ASSI { 694}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HA ))
4.200 2.200 1.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.33425E-03 ppm1 7.847 ppm2 3.688 CV 1
ASSI { 698}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB3 ))
3.000 1.100 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.22273E-02 ppm1 7.851 ppm2 2.638 CV 1
OR { 698}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 699}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HN ))
4.200 2.200 1.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.33114E-03 ppm1 7.851 ppm2 8.542 CV 1
ASSI { 700}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 68 and name HB ))
4.200 2.200 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.49642E-03 ppm1 8.368 ppm2 1.927 CV 1
ASSI { 701}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 69 and name HG3 ))
3.500 1.600 1.600 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10165E-02 ppm1 8.375 ppm2 2.362 CV 1
OR { 701}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 69 and name HG2 ))
ASSI { 702}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 69 and name HB3 ))
3.100 1.200 1.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 8.375 ppm2 2.225 CV 1
ASSI { 703}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 69 and name HN ))
3.600 1.600 1.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.52249E-03 ppm1 8.375 ppm2 7.648 CV 1
ASSI { 704}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
2.900 1.000 1.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.378 ppm2 4.528 CV 1
ASSI { 705}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 63 and name HE% )
2.900 1.000 1.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.88216E-03 ppm1 8.379 ppm2 7.258 CV 1
ASSI { 706}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 38 and name HA ))
3.800 1.800 1.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.96921E-03 ppm1 8.379 ppm2 4.617 CV 1
ASSI { 707}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 69 and name HB2 ))
2.700 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.23258E-02 ppm1 8.379 ppm2 2.554 CV 1
OR { 707}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 69 and name HB3 ))
ASSI { 708}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA2 ))
2.300 0.700 0.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.32638E-02 ppm1 8.379 ppm2 4.075 CV 1
ASSI { 709}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA1 ))
3.300 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.33235E-02 ppm1 8.379 ppm2 3.218 CV 1
ASSI { 711}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 70 and name HN ))
4.000 2.000 2.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.34663E-03 ppm1 8.383 ppm2 8.976 CV 1
ASSI { 712}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 38 and name HB% )
3.800 1.800 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.65281E-03 ppm1 8.391 ppm2 1.535 CV 1
ASSI { 714}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB ))
2.400 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.50102E-02 ppm1 8.127 ppm2 4.215 CV 1
ASSI { 716}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HN ))
2.600 0.800 0.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.36607E-02 ppm1 8.130 ppm2 8.307 CV 1
ASSI { 717}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA1 ))
3.600 1.600 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.11456E-02 ppm1 8.131 ppm2 3.548 CV 1
ASSI { 718}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
2.600 0.800 0.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.41578E-02 ppm1 8.131 ppm2 4.011 CV 1
ASSI { 719}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 80 and name HN ))
4.100 2.100 1.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 8.148 ppm2 7.930 CV 1
ASSI { 721}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 80 and name HG2%)
4.300 2.300 1.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.88555E-03 ppm1 8.156 ppm2 0.915 CV 1
ASSI { 722}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HB2 ))
5.200 3.400 0.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.26156E-03 ppm1 8.156 ppm2 1.905 CV 1
ASSI { 723}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA ))
3.000 1.100 1.100 peak 723 spectrum 1 weight 0.10000E+01 volume 0.14450E-02 ppm1 8.135 ppm2 4.026 CV 1
ASSI { 725}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 79 and name HG2%)
2.800 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.28337E-02 ppm1 8.136 ppm2 1.220 CV 1
ASSI { 726}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB2 ))
2.900 1.100 1.100 peak 726 spectrum 1 weight 0.10000E+01 volume 0.34839E-02 ppm1 8.136 ppm2 3.241 CV 1
OR { 726}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB3 ))
ASSI { 727}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HA ))
2.600 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.35497E-02 ppm1 8.137 ppm2 4.892 CV 1
ASSI { 730}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.200 0.600 0.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.68229E-02 ppm1 8.740 ppm2 4.992 CV 1
ASSI { 731}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HG2%)
2.500 0.800 0.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.41164E-02 ppm1 8.740 ppm2 0.625 CV 1
ASSI { 732}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HG1%)
4.600 2.600 1.400 peak 732 spectrum 1 weight 0.10000E+01 volume 0.41366E-03 ppm1 8.740 ppm2 0.811 CV 1
ASSI { 733}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.900 1.000 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.17410E-02 ppm1 8.741 ppm2 4.444 CV 1
ASSI { 734}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB ))
2.400 0.700 0.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.46129E-02 ppm1 8.741 ppm2 1.701 CV 1
ASSI { 735}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 84 and name HN ))
2.900 1.100 1.100 peak 735 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 8.745 ppm2 8.973 CV 1
ASSI { 736}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 86 and name HN ))
4.100 2.100 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.40258E-03 ppm1 8.748 ppm2 8.315 CV 1
ASSI { 737}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 85 and name HA ))
3.700 1.700 1.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.70288E-03 ppm1 8.749 ppm2 3.949 CV 1
ASSI { 738}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB ))
3.400 1.400 1.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.16003E-02 ppm1 8.567 ppm2 1.870 CV 1
ASSI { 739}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 62 and name HA ))
2.800 1.000 1.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.21256E-02 ppm1 8.568 ppm2 4.630 CV 1
ASSI { 741}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 61 and name HN ))
3.900 1.900 1.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.62316E-03 ppm1 8.570 ppm2 9.246 CV 1
ASSI { 742}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HG12))
4.300 2.300 1.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.73899E-03 ppm1 8.570 ppm2 1.246 CV 1
OR { 742}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HG13))
ASSI { 745}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 60 and name HG1%)
3.400 1.500 1.500 peak 745 spectrum 1 weight 0.10000E+01 volume 0.10372E-02 ppm1 8.572 ppm2 0.691 CV 1
ASSI { 746}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.16209E-02 ppm1 8.572 ppm2 4.957 CV 1
ASSI { 747}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB ))
3.600 1.600 1.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.11629E-02 ppm1 8.573 ppm2 1.559 CV 1
ASSI { 748}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 54 and name HA ))
3.200 3.200 2.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.53046E-03 ppm1 7.995 ppm2 4.011 CV 1
ASSI { 749}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
3.000 1.100 1.100 peak 749 spectrum 1 weight 0.10000E+01 volume 0.15037E-02 ppm1 7.998 ppm2 4.950 CV 1
ASSI { 750}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB ))
2.400 0.700 0.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.50511E-02 ppm1 7.999 ppm2 1.836 CV 1
ASSI { 751}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
2.200 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.86405E-02 ppm1 8.003 ppm2 4.384 CV 1
ASSI { 752}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 60 and name HG2%)
2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.33100E-02 ppm1 8.003 ppm2 0.731 CV 1
ASSI { 754}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.600 1.700 1.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12429E-02 ppm1 8.004 ppm2 2.302 CV 1
OR { 754}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB3 ))
ASSI { 755}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 79 and name HG2%)
4.100 2.100 1.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.74681E-03 ppm1 7.771 ppm2 1.232 CV 1
ASSI { 756}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB2 ))
3.700 1.700 1.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.55443E-03 ppm1 7.772 ppm2 3.683 CV 1
OR { 756}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB3 ))
ASSI { 758}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB ))
2.600 0.800 0.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.33895E-02 ppm1 7.774 ppm2 1.947 CV 1
ASSI { 760}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
3.000 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.15691E-02 ppm1 7.775 ppm2 3.828 CV 1
ASSI { 761}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HB ))
3.000 1.100 1.100 peak 761 spectrum 1 weight 0.10000E+01 volume 0.16357E-02 ppm1 7.775 ppm2 4.844 CV 1
ASSI { 763}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 68 and name HG1%)
4.200 2.200 1.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 7.776 ppm2 0.854 CV 1
ASSI { 765}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA ))
3.000 1.100 1.100 peak 765 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 7.924 ppm2 4.412 CV 1
ASSI { 766}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA ))
2.200 0.600 0.600 peak 766 spectrum 1 weight 0.10000E+01 volume 0.61723E-02 ppm1 7.925 ppm2 4.037 CV 1
ASSI { 767}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HB ))
2.600 0.900 0.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.23479E-02 ppm1 7.925 ppm2 1.622 CV 1
ASSI { 768}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 80 and name HG1%)
4.200 2.200 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.75457E-03 ppm1 7.926 ppm2 0.775 CV 1
ASSI { 769}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 67 and name HB2 ))
3.100 1.200 1.200 peak 769 spectrum 1 weight 0.10000E+01 volume 0.18214E-02 ppm1 7.926 ppm2 3.659 CV 1
OR { 769}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 67 and name HB3 ))
ASSI { 773}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 35 and name HA ))
3.300 1.400 1.400 peak 773 spectrum 1 weight 0.10000E+01 volume 0.93460E-03 ppm1 9.030 ppm2 4.901 CV 1
ASSI { 774}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB ))
2.500 0.800 0.800 peak 774 spectrum 1 weight 0.10000E+01 volume 0.31379E-02 ppm1 9.030 ppm2 2.041 CV 1
ASSI { 775}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 84 and name HB% )
3.200 1.200 1.200 peak 775 spectrum 1 weight 0.10000E+01 volume 0.29226E-02 ppm1 9.033 ppm2 0.966 CV 1
ASSI { 776}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 85 and name HG2%)
2.400 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.40419E-02 ppm1 9.035 ppm2 0.612 CV 1
ASSI { 781}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB ))
2.500 0.800 0.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.32780E-02 ppm1 8.279 ppm2 1.626 CV 1
ASSI { 784}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 86 and name HG1%)
4.000 2.000 2.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.11637E-02 ppm1 8.284 ppm2 0.958 CV 1
ASSI { 785}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HA ))
2.900 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.15043E-02 ppm1 8.285 ppm2 3.824 CV 1
ASSI { 786}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.500 0.800 0.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.39052E-02 ppm1 8.190 ppm2 2.774 CV 1
OR { 786}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB3 ))
ASSI { 787}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 27 and name HB% )
4.100 2.100 1.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.84356E-03 ppm1 8.191 ppm2 1.386 CV 1
ASSI { 790}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
3.100 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.12752E-02 ppm1 8.193 ppm2 3.798 CV 1
ASSI { 791}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB3 ))
3.700 1.700 1.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 8.194 ppm2 2.445 CV 1
ASSI { 792}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.500 0.800 0.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.40897E-02 ppm1 8.195 ppm2 3.999 CV 1
ASSI { 793}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 24 and name HG2%)
3.700 1.700 1.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.78282E-03 ppm1 8.196 ppm2 0.771 CV 1
ASSI { 794}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 49 and name HG2%)
4.300 2.300 1.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.47264E-03 ppm1 8.200 ppm2 0.720 CV 1
ASSI { 795}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HA ))
2.700 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.32832E-02 ppm1 8.204 ppm2 4.017 CV 1
ASSI { 796}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HA ))
3.500 1.500 1.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.78864E-03 ppm1 8.205 ppm2 3.883 CV 1
ASSI { 797}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB2 ))
2.400 0.700 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.46252E-02 ppm1 8.205 ppm2 3.124 CV 1
OR { 797}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB3 ))
ASSI { 798}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HB2 ))
3.200 3.200 2.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.49896E-02 ppm1 8.205 ppm2 2.783 CV 1
OR { 798}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HB3 ))
ASSI { 799}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB2 ))
2.700 0.900 0.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.27641E-02 ppm1 8.206 ppm2 2.109 CV 1
OR { 799}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB3 ))
ASSI { 800}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 47 and name HB3 ))
2.400 2.400 3.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.27619E-02 ppm1 8.208 ppm2 2.035 CV 1
ASSI { 801}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 48 and name HA ))
3.400 1.400 1.400 peak 801 spectrum 1 weight 0.10000E+01 volume 0.11095E-02 ppm1 8.209 ppm2 4.563 CV 1
ASSI { 802}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HD% )
4.500 2.600 1.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.71075E-03 ppm1 8.213 ppm2 6.231 CV 1
ASSI { 803}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 51 and name HD% )
4.100 2.100 1.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.73522E-03 ppm1 8.229 ppm2 6.219 CV 1
ASSI { 804}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 49 and name HG2%)
3.800 1.800 1.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.57497E-03 ppm1 8.230 ppm2 0.712 CV 1
ASSI { 805}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB3 ))
2.900 1.100 1.100 peak 805 spectrum 1 weight 0.10000E+01 volume 0.13741E-02 ppm1 8.230 ppm2 3.128 CV 1
OR { 805}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB2 ))
ASSI { 809}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 53 and name HB% )
4.100 2.100 1.900 peak 809 spectrum 1 weight 0.10000E+01 volume 0.77883E-03 ppm1 8.233 ppm2 1.481 CV 1
ASSI { 811}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 49 and name HA ))
3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.63690E-03 ppm1 8.234 ppm2 3.453 CV 1
ASSI { 812}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB3 ))
3.500 1.500 1.500 peak 812 spectrum 1 weight 0.10000E+01 volume 0.30136E-02 ppm1 8.234 ppm2 2.664 CV 1
ASSI { 814}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 35 and name HB ))
4.100 2.100 1.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.48417E-03 ppm1 9.246 ppm2 1.679 CV 1
ASSI { 815}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
2.200 0.600 0.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.70665E-02 ppm1 9.248 ppm2 4.947 CV 1
ASSI { 816}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 60 and name HG2%)
3.400 1.500 1.500 peak 816 spectrum 1 weight 0.10000E+01 volume 0.37177E-02 ppm1 9.248 ppm2 0.726 CV 1
ASSI { 817}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 35 and name HN ))
3.600 1.600 1.600 peak 817 spectrum 1 weight 0.10000E+01 volume 0.91256E-03 ppm1 9.249 ppm2 8.585 CV 1
ASSI { 818}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 36 and name HA ))
2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.18039E-02 ppm1 9.249 ppm2 5.496 CV 1
ASSI { 819}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB3 ))
2.500 0.800 0.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.34258E-02 ppm1 9.249 ppm2 2.753 CV 1
OR { 819}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB2 ))
ASSI { 820}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
3.000 1.100 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 9.250 ppm2 4.756 CV 1
ASSI { 822}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB ))
4.100 2.100 1.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.69490E-03 ppm1 9.251 ppm2 1.835 CV 1
ASSI { 823}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 36 and name HB ))
4.400 2.400 1.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.54231E-03 ppm1 9.252 ppm2 1.557 CV 1
ASSI { 824}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 36 and name HG12))
3.800 1.800 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.64380E-03 ppm1 9.259 ppm2 1.252 CV 1
ASSI { 7}
( segid " " and resid 32 and name HB% )
( segid " " and resid 58 and name HG2%)
2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.19800E-02 ppm1 19.849 ppm2 14.464 CV 1
ASSI { 14}
( segid " " and resid 53 and name HB% )
( segid " " and resid 58 and name HG2%)
3.100 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.18786E-02 ppm1 16.086 ppm2 14.527 CV 1
ASSI { 20}
( segid " " and resid 84 and name HB% )
( segid " " and resid 35 and name HG2%)
2.900 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.25776E-02 ppm1 19.326 ppm2 15.989 CV 1
ASSI { 21}
( segid " " and resid 84 and name HB% )
( segid " " and resid 17 and name HG2%)
2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.53361E-02 ppm1 19.377 ppm2 18.181 CV 1
ASSI { 24}
( segid " " and resid 16 and name HG2%)
( segid " " and resid 85 and name HG2%)
2.800 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.19493E-02 ppm1 16.272 ppm2 18.081 CV 1
ASSI { 25}
( segid " " and resid 16 and name HG2%)
( segid " " and resid 83 and name HD1%)
2.600 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.27548E-02 ppm1 16.295 ppm2 25.201 CV 1
ASSI { 27}
( segid " " and resid 16 and name HG2%)
( segid " " and resid 16 and name HD1%)
2.300 0.700 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.62143E-02 ppm1 16.347 ppm2 12.597 CV 1
ASSI { 33}
( segid " " and resid 35 and name HG2%)
( segid " " and resid 58 and name HD1%)
3.900 1.900 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.23645E-02 ppm1 15.798 ppm2 13.938 CV 1
ASSI { 34}
( segid " " and resid 35 and name HG2%)
( segid " " and resid 37 and name HG1%)
2.600 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.29136E-02 ppm1 15.840 ppm2 19.544 CV 1
ASSI { 35}
( segid " " and resid 35 and name HG2%)
( segid " " and resid 82 and name HB% )
2.900 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.28659E-02 ppm1 15.863 ppm2 20.618 CV 1
ASSI { 36}
( segid " " and resid 35 and name HG2%)
( segid " " and resid 49 and name HD1%)
2.900 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.23062E-02 ppm1 15.944 ppm2 12.648 CV 1
ASSI { 39}
( segid " " and resid 36 and name HD1%)
( segid " " and resid 85 and name HG2%)
2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.17265E-02 ppm1 12.796 ppm2 18.012 CV 1
ASSI { 42}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 83 and name HD2%)
3.200 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.21395E-02 ppm1 16.141 ppm2 27.469 CV 1
ASSI { 44}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 83 and name HD1%)
3.700 1.700 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.18826E-02 ppm1 16.220 ppm2 25.069 CV 1
ASSI { 45}
( segid " " and resid 45 and name HD1%)
( segid " " and resid 20 and name HB% )
2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.31754E-02 ppm1 10.880 ppm2 17.271 CV 1
ASSI { 46}
( segid " " and resid 45 and name HD1%)
( segid " " and resid 45 and name HG2%)
2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.56581E-02 ppm1 10.896 ppm2 15.564 CV 1
ASSI { 50}
( segid " " and resid 49 and name HG2%)
( segid " " and resid 37 and name HG1%)
2.500 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.43156E-02 ppm1 16.321 ppm2 19.582 CV 1
ASSI { 51}
( segid " " and resid 49 and name HG2%)
( segid " " and resid 60 and name HG2%)
2.600 0.800 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.33867E-02 ppm1 16.334 ppm2 20.773 CV 1
ASSI { 53}
( segid " " and resid 49 and name HG2%)
( segid " " and resid 49 and name HD1%)
2.500 0.800 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.39861E-02 ppm1 16.345 ppm2 12.666 CV 1
ASSI { 54}
( segid " " and resid 49 and name HG2%)
( segid " " and resid 35 and name HD1%)
2.900 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16848E-02 ppm1 16.395 ppm2 11.359 CV 1
ASSI { 55}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 35 and name HD1%)
3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.14982E-02 ppm1 13.884 ppm2 11.362 CV 1
ASSI { 56}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 27 and name HB% )
3.200 1.300 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.25651E-02 ppm1 13.934 ppm2 16.036 CV 1
ASSI { 58}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 35 and name HD1%)
2.600 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.29595E-02 ppm1 14.461 ppm2 11.359 CV 1
ASSI { 67}
( segid " " and resid 93 and name HG2%)
(( segid " " and resid 94 and name HG ))
3.100 1.200 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.15777E-02 ppm1 17.652 ppm2 25.219 CV 1
ASSI { 72}
( segid " " and resid 34 and name HD2%)
( segid " " and resid 85 and name HG2%)
3.200 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.14040E-02 ppm1 26.418 ppm2 18.013 CV 1
ASSI { 74}
( segid " " and resid 55 and name HD1%)
( segid " " and resid 55 and name HD2%)
2.300 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.92765E-02 ppm1 23.104 ppm2 20.913 CV 1
ASSI { 78}
( segid " " and resid 7 and name HD1%)
( segid " " and resid 7 and name HD2%)
2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.42502E-02 ppm1 20.857 ppm2 24.521 CV 1
ASSI { 82}
( segid " " and resid 7 and name HD1%)
( segid " " and resid 83 and name HD2%)
2.800 1.000 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 20.909 ppm2 27.393 CV 1
ASSI { 85}
( segid " " and resid 7 and name HD2%)
( segid " " and resid 70 and name HD1%)
2.500 0.800 0.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.30587E-02 ppm1 24.570 ppm2 20.278 CV 1
ASSI { 86}
( segid " " and resid 70 and name HD1%)
( segid " " and resid 74 and name HD1%)
2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.42685E-02 ppm1 20.125 ppm2 25.003 CV 1
ASSI { 90}
( segid " " and resid 70 and name HD2%)
(( segid " " and resid 70 and name HG ))
2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.23073E-02 ppm1 22.782 ppm2 25.066 CV 1
ASSI { 92}
( segid " " and resid 70 and name HD2%)
( segid " " and resid 80 and name HG1%)
2.700 0.900 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.22387E-02 ppm1 22.824 ppm2 19.816 CV 1
ASSI { 95}
( segid " " and resid 73 and name HD1%)
( segid " " and resid 73 and name HD2%)
2.400 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.59416E-02 ppm1 24.130 ppm2 22.056 CV 1
ASSI { 100}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 83 and name HG ))
3.900 1.900 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 24.892 ppm2 23.749 CV 1
ASSI { 101}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 80 and name HG1%)
3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.17133E-02 ppm1 24.900 ppm2 19.927 CV 1
ASSI { 102}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 83 and name HD2%)
2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13150E-02 ppm1 24.911 ppm2 27.444 CV 1
ASSI { 103}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 74 and name HD2%)
2.300 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.60688E-02 ppm1 24.961 ppm2 20.395 CV 1
ASSI { 108}
( segid " " and resid 83 and name HD1%)
( segid " " and resid 74 and name HD2%)
3.500 1.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.13521E-02 ppm1 25.049 ppm2 20.332 CV 1
ASSI { 113}
( segid " " and resid 83 and name HD1%)
( segid " " and resid 36 and name HD1%)
2.700 0.900 0.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.37032E-02 ppm1 25.122 ppm2 12.732 CV 1
ASSI { 119}
( segid " " and resid 83 and name HD2%)
( segid " " and resid 83 and name HD1%)
2.300 0.600 0.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.58139E-02 ppm1 27.373 ppm2 25.053 CV 1
ASSI { 121}
( segid " " and resid 83 and name HD2%)
( segid " " and resid 80 and name HG1%)
2.600 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.34003E-02 ppm1 27.380 ppm2 19.855 CV 1
ASSI { 127}
( segid " " and resid 96 and name HD1%)
( segid " " and resid 96 and name HD2%)
2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.52287E-02 ppm1 23.872 ppm2 20.448 CV 1
ASSI { 128}
( segid " " and resid 96 and name HD1%)
(( segid " " and resid 96 and name HG ))
2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.43727E-02 ppm1 23.880 ppm2 24.905 CV 1
ASSI { 131}
( segid " " and resid 1 and name HG1%)
( segid " " and resid 1 and name HG2%)
2.500 0.800 0.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.56042E-02 ppm1 19.720 ppm2 18.162 CV 1
ASSI { 138}
( segid " " and resid 60 and name HG1%)
( segid " " and resid 60 and name HG2%)
2.300 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.77365E-02 ppm1 19.641 ppm2 20.747 CV 1
ASSI { 139}
( segid " " and resid 60 and name HG1%)
( segid " " and resid 49 and name HD1%)
2.200 2.200 3.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.42688E-02 ppm1 19.655 ppm2 12.634 CV 1
ASSI { 140}
( segid " " and resid 60 and name HG1%)
( segid " " and resid 49 and name HG2%)
2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.30134E-02 ppm1 19.665 ppm2 16.385 CV 1
ASSI { 143}
( segid " " and resid 60 and name HG2%)
( segid " " and resid 49 and name HD1%)
2.300 2.300 3.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.40497E-02 ppm1 20.728 ppm2 12.632 CV 1
ASSI { 149}
( segid " " and resid 80 and name HG2%)
( segid " " and resid 74 and name HD1%)
2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.20253E-02 ppm1 20.444 ppm2 25.131 CV 1
ASSI { 151}
( segid " " and resid 85 and name HG1%)
( segid " " and resid 85 and name HG2%)
2.300 0.600 0.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.76751E-02 ppm1 18.413 ppm2 17.983 CV 1
ASSI { 153}
( segid " " and resid 85 and name HG1%)
( segid " " and resid 10 and name HB% )
3.000 1.100 1.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.18857E-02 ppm1 18.599 ppm2 15.248 CV 1
ASSI { 155}
( segid " " and resid 86 and name HG2%)
( segid " " and resid 17 and name HG2%)
2.400 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.44529E-02 ppm1 20.040 ppm2 18.156 CV 1
ASSI { 158}
( segid " " and resid 7 and name HD1%)
( segid " " and resid 83 and name HD1%)
2.700 0.900 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.23749E-02 ppm1 20.829 ppm2 25.200 CV 1
ASSI { 161}
( segid " " and resid 20 and name HB% )
( segid " " and resid 45 and name HG2%)
2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.49150E-02 ppm1 17.278 ppm2 15.580 CV 1
ASSI { 165}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 70 and name HD2%)
2.800 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.19270E-02 ppm1 16.152 ppm2 22.780 CV 1
ASSI { 168}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 32 and name HB% )
2.600 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.31797E-02 ppm1 13.955 ppm2 19.880 CV 1
ASSI { 170}
( segid " " and resid 60 and name HG1%)
( segid " " and resid 35 and name HG2%)
2.800 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.27692E-02 ppm1 19.525 ppm2 16.020 CV 1
ASSI { 176}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 73 and name HG ))
2.300 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.68159E-02 ppm1 24.097 ppm2 24.990 CV 1
ASSI { 177}
( segid " " and resid 74 and name HD2%)
( segid " " and resid 7 and name HD2%)
2.600 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.27970E-02 ppm1 20.424 ppm2 24.550 CV 1
ASSI { 181}
( segid " " and resid 94 and name HD2%)
( segid " " and resid 93 and name HG2%)
2.900 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.20961E-02 ppm1 21.738 ppm2 17.400 CV 1
ASSI { 4}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 6 and name HB2 ))
3.800 1.800 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.81138E-06 ppm1 7.058 ppm2 1.709 CV 1
OR { 4}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 6 and name HB3 ))
ASSI { 6}
( segid " " and resid 3 and name HD% )
( segid " " and resid 96 and name HD2%)
3.300 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.10819E-05 ppm1 7.058 ppm2 0.625 CV 1
ASSI { 8}
( segid " " and resid 3 and name HD% )
( segid " " and resid 7 and name HD2%)
3.500 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10819E-05 ppm1 7.059 ppm2 0.439 CV 1
OR { 8}
( segid " " and resid 3 and name HD% )
( segid " " and resid 7 and name HD1%)
ASSI { 10}
( segid " " and resid 3 and name HD% )
( segid " " and resid 36 and name HD1%)
3.700 1.700 1.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10819E-05 ppm1 7.059 ppm2 0.820 CV 1
ASSI { 13}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 96 and name HG ))
3.400 1.400 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.21373E-05 ppm1 7.059 ppm2 1.478 CV 1
OR { 13}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 96 and name HB2 ))
ASSI { 14}
( segid " " and resid 3 and name HD% )
( segid " " and resid 4 and name HB% )
4.000 2.000 2.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.62839E-06 ppm1 7.060 ppm2 1.549 CV 1
ASSI { 18}
( segid " " and resid 3 and name HD% )
( segid " " and resid 61 and name HE% )
2.100 2.100 3.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.19123E-04 ppm1 7.060 ppm2 6.587 CV 1
ASSI { 19}
( segid " " and resid 3 and name HD% )
( segid " " and resid 73 and name HD2%)
3.000 3.000 3.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.38537E-05 ppm1 7.060 ppm2 0.899 CV 1
OR { 19}
( segid " " and resid 3 and name HD% )
( segid " " and resid 73 and name HD1%)
ASSI { 20}
( segid " " and resid 3 and name HD% )
( segid " " and resid 36 and name HG2%)
2.900 2.900 3.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.51898E-05 ppm1 7.060 ppm2 1.038 CV 1
ASSI { 21}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HN ))
4.700 2.700 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.65178E-06 ppm1 7.061 ppm2 8.633 CV 1
ASSI { 22}
( segid " " and resid 3 and name HD% )
( segid " " and resid 63 and name HE% )
3.300 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.15486E-05 ppm1 7.061 ppm2 7.229 CV 1
ASSI { 24}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HB3 ))
2.700 0.900 0.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.35252E-05 ppm1 7.062 ppm2 3.323 CV 1
OR { 24}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HB2 ))
ASSI { 29}
( segid " " and resid 26 and name HE% )
( segid " " and resid 84 and name HB% )
2.900 2.900 3.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.39350E-05 ppm1 6.710 ppm2 0.895 CV 1
ASSI { 31}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 3 and name HB3 ))
4.400 2.400 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.65480E-06 ppm1 6.711 ppm2 3.330 CV 1
OR { 31}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 3 and name HB2 ))
ASSI { 32}
( segid " " and resid 3 and name HE% )
( segid " " and resid 3 and name HD% )
1.900 0.400 0.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.19590E-04 ppm1 6.711 ppm2 7.029 CV 1
ASSI { 34}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 70 and name HA ))
5.300 3.500 0.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.37622E-06 ppm1 6.712 ppm2 3.813 CV 1
ASSI { 35}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 4 and name HA ))
3.400 3.400 2.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.12293E-05 ppm1 6.712 ppm2 3.649 CV 1
ASSI { 36}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 22 and name HB3 ))
2.500 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.28796E-05 ppm1 6.712 ppm2 1.587 CV 1
ASSI { 37}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 26 and name HB3 ))
3.400 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.31430E-05 ppm1 6.712 ppm2 2.747 CV 1
OR { 37}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 26 and name HB2 ))
ASSI { 38}
( segid " " and resid 3 and name HE% )
( segid " " and resid 70 and name HD1%)
2.600 2.600 3.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.64122E-05 ppm1 6.712 ppm2 0.336 CV 1
ASSI { 39}
( segid " " and resid 26 and name HE% )
( segid " " and resid 86 and name HG2%)
2.300 0.600 0.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.91299E-05 ppm1 6.712 ppm2 0.578 CV 1
ASSI { 40}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 7 and name HB2 ))
3.200 1.200 1.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.97514E-06 ppm1 6.715 ppm2 1.280 CV 1
ASSI { 44}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 6 and name HG2 ))
3.500 1.500 1.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.12039E-05 ppm1 7.216 ppm2 2.875 CV 1
OR { 44}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 6 and name HG3 ))
ASSI { 45}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 6 and name HA ))
3.500 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.95374E-06 ppm1 7.217 ppm2 4.231 CV 1
ASSI { 46}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 5 and name HA ))
3.000 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.14418E-05 ppm1 7.217 ppm2 4.040 CV 1
ASSI { 47}
( segid " " and resid 5 and name HD% )
( segid " " and resid 4 and name HB% )
4.200 2.200 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.10066E-05 ppm1 7.220 ppm2 1.530 CV 1
ASSI { 48}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 5 and name HB3 ))
2.700 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.33026E-05 ppm1 7.220 ppm2 3.019 CV 1
OR { 48}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 5 and name HB2 ))
ASSI { 51}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 8 and name HB2 ))
4.300 2.300 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.41180E-06 ppm1 7.222 ppm2 1.764 CV 1
OR { 51}
( segid " " and resid 5 and name HD% )
(( segid " " and resid 8 and name HB3 ))
ASSI { 53}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 9 and name HB2 ))
3.400 1.400 1.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11774E-05 ppm1 7.351 ppm2 1.513 CV 1
OR { 53}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 9 and name HB3 ))
ASSI { 54}
( segid " " and resid 5 and name HE% )
( segid " " and resid 5 and name HD% )
2.100 0.600 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.12335E-04 ppm1 7.354 ppm2 7.187 CV 1
ASSI { 55}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 9 and name HD3 ))
4.200 2.200 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.29284E-06 ppm1 7.358 ppm2 1.220 CV 1
OR { 55}
( segid " " and resid 5 and name HE% )
(( segid " " and resid 9 and name HD2 ))
ASSI { 60}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 17 and name HB ))
3.900 1.900 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.52772E-06 ppm1 7.113 ppm2 1.705 CV 1
ASSI { 61}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 22 and name HB3 ))
3.400 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.65178E-06 ppm1 7.114 ppm2 1.601 CV 1
ASSI { 63}
( segid " " and resid 26 and name HD% )
( segid " " and resid 86 and name HG2%)
2.700 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.28470E-05 ppm1 7.115 ppm2 0.576 CV 1
ASSI { 64}
( segid " " and resid 26 and name HD% )
( segid " " and resid 32 and name HB% )
2.900 1.100 1.100 peak 64 spectrum 1 weight 0.10000E+01 volume 0.22400E-05 ppm1 7.116 ppm2 0.989 CV 1
ASSI { 67}
( segid " " and resid 26 and name HD% )
( segid " " and resid 17 and name HG1%)
3.600 1.600 1.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.80734E-06 ppm1 7.119 ppm2 0.794 CV 1
ASSI { 71}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 26 and name HA ))
3.000 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.27565E-05 ppm1 7.120 ppm2 3.985 CV 1
ASSI { 75}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 17 and name HB ))
3.600 1.600 1.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.14174E-05 ppm1 6.704 ppm2 1.691 CV 1
ASSI { 77}
( segid " " and resid 51 and name HD% )
( segid " " and resid 55 and name HD1%)
3.500 1.600 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.89477E-06 ppm1 6.278 ppm2 0.617 CV 1
ASSI { 79}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 51 and name HB2 ))
3.000 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.29009E-05 ppm1 6.278 ppm2 3.136 CV 1
ASSI { 80}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 51 and name HB3 ))
2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.37622E-05 ppm1 6.278 ppm2 2.812 CV 1
ASSI { 81}
( segid " " and resid 51 and name HD% )
( segid " " and resid 52 and name HE% )
3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10961E-05 ppm1 6.279 ppm2 6.904 CV 1
ASSI { 82}
( segid " " and resid 51 and name HD% )
( segid " " and resid 52 and name HD% )
3.000 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.15344E-05 ppm1 6.279 ppm2 7.356 CV 1
ASSI { 84}
( segid " " and resid 51 and name HD% )
(( segid " " and resid 51 and name HA ))
2.600 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.34561E-05 ppm1 6.280 ppm2 4.040 CV 1
ASSI { 85}
( segid " " and resid 51 and name HE% )
( segid " " and resid 55 and name HD2%)
4.300 2.300 1.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.25522E-06 ppm1 6.527 ppm2 0.725 CV 1
ASSI { 86}
( segid " " and resid 51 and name HE% )
(( segid " " and resid 51 and name HB2 ))
4.400 2.500 1.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.66499E-06 ppm1 6.527 ppm2 3.129 CV 1
ASSI { 87}
( segid " " and resid 51 and name HE% )
(( segid " " and resid 51 and name HB3 ))
4.400 2.500 1.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.69043E-06 ppm1 6.527 ppm2 2.817 CV 1
ASSI { 88}
( segid " " and resid 51 and name HE% )
( segid " " and resid 52 and name HD% )
4.600 2.700 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.44841E-06 ppm1 6.529 ppm2 7.358 CV 1
ASSI { 89}
( segid " " and resid 51 and name HE% )
(( segid " " and resid 52 and name HA ))
3.800 1.800 1.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.85003E-06 ppm1 6.529 ppm2 4.033 CV 1
ASSI { 90}
( segid " " and resid 51 and name HE% )
( segid " " and resid 51 and name HD% )
2.000 0.500 0.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.15357E-04 ppm1 6.531 ppm2 6.239 CV 1
ASSI { 92}
( segid " " and resid 51 and name HE% )
( segid " " and resid 55 and name HD1%)
3.000 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.22624E-05 ppm1 6.533 ppm2 0.617 CV 1
ASSI { 93}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 51 and name HB3 ))
3.700 1.700 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.40164E-06 ppm1 7.380 ppm2 3.135 CV 1
OR { 93}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 51 and name HB2 ))
ASSI { 96}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HD2 ))
3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.36707E-06 ppm1 7.382 ppm2 1.127 CV 1
OR { 96}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HD3 ))
ASSI { 97}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HE2 ))
3.800 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.65685E-06 ppm1 7.382 ppm2 2.401 CV 1
OR { 97}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HE3 ))
ASSI { 98}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HA ))
2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.22736E-05 ppm1 7.382 ppm2 3.820 CV 1
ASSI { 99}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 52 and name HB3 ))
2.500 0.800 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.43326E-05 ppm1 7.382 ppm2 2.780 CV 1
OR { 99}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 52 and name HB2 ))
ASSI { 101}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HG3 ))
3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.13147E-05 ppm1 7.383 ppm2 1.004 CV 1
OR { 101}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HG2 ))
ASSI { 102}
( segid " " and resid 52 and name HD% )
( segid " " and resid 24 and name HG2%)
2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.27372E-05 ppm1 7.383 ppm2 0.791 CV 1
ASSI { 105}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 24 and name HG12))
3.000 3.000 3.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.91105E-06 ppm1 7.384 ppm2 1.796 CV 1
OR { 105}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 24 and name HB ))
ASSI { 106}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HB2 ))
3.200 1.300 1.300 peak 106 spectrum 1 weight 0.10000E+01 volume 0.11774E-05 ppm1 7.384 ppm2 1.534 CV 1
ASSI { 107}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 28 and name HG3 ))
2.600 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.28318E-05 ppm1 7.384 ppm2 0.620 CV 1
ASSI { 111}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 49 and name HA ))
3.700 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.11124E-05 ppm1 7.386 ppm2 3.465 CV 1
ASSI { 113}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 52 and name HN ))
2.700 0.900 0.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.15466E-05 ppm1 7.387 ppm2 8.265 CV 1
ASSI { 114}
( segid " " and resid 52 and name HD% )
(( segid " " and resid 53 and name HN ))
5.100 3.200 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.39757E-06 ppm1 7.388 ppm2 9.048 CV 1
ASSI { 115}
( segid " " and resid 52 and name HD% )
( segid " " and resid 27 and name HB% )
3.600 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.11663E-05 ppm1 7.388 ppm2 1.427 CV 1
ASSI { 116}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 28 and name HG3 ))
3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.12192E-05 ppm1 6.930 ppm2 0.622 CV 1
ASSI { 117}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 52 and name HN ))
5.500 3.700 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.31012E-06 ppm1 6.932 ppm2 8.260 CV 1
ASSI { 118}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 28 and name HA ))
4.600 2.600 1.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.49824E-06 ppm1 6.932 ppm2 3.813 CV 1
ASSI { 122}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 28 and name HD3 ))
3.500 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.32843E-06 ppm1 6.933 ppm2 1.122 CV 1
OR { 122}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 28 and name HD2 ))
ASSI { 124}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 52 and name HA ))
3.100 3.100 2.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.75042E-06 ppm1 6.933 ppm2 4.032 CV 1
ASSI { 126}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 28 and name HE2 ))
3.200 1.300 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.11429E-05 ppm1 6.934 ppm2 2.394 CV 1
OR { 126}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 28 and name HE3 ))
ASSI { 128}
( segid " " and resid 52 and name HE% )
(( segid " " and resid 52 and name HB3 ))
4.300 2.300 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.66908E-06 ppm1 6.935 ppm2 2.777 CV 1
ASSI { 131}
( segid " " and resid 52 and name HE% )
( segid " " and resid 24 and name HG2%)
3.900 1.900 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.38130E-06 ppm1 6.938 ppm2 0.793 CV 1
ASSI { 136}
( segid " " and resid 61 and name HD% )
( segid " " and resid 37 and name HG2%)
5.200 3.400 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.23081E-06 ppm1 7.018 ppm2 0.931 CV 1
ASSI { 137}
( segid " " and resid 61 and name HD% )
( segid " " and resid 61 and name HE% )
2.900 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.15069E-05 ppm1 7.018 ppm2 6.684 CV 1
ASSI { 141}
( segid " " and resid 61 and name HD% )
( segid " " and resid 36 and name HD1%)
3.000 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.17092E-05 ppm1 7.020 ppm2 0.819 CV 1
ASSI { 142}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 36 and name HG12))
2.700 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.18760E-05 ppm1 7.020 ppm2 1.253 CV 1
ASSI { 144}
( segid " " and resid 61 and name HD% )
( segid " " and resid 36 and name HG2%)
2.500 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.51206E-05 ppm1 7.020 ppm2 1.045 CV 1
ASSI { 145}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 96 and name HB2 ))
3.800 1.800 1.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.65281E-06 ppm1 7.021 ppm2 1.480 CV 1
OR { 145}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 96 and name HG ))
ASSI { 146}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 61 and name HN ))
4.200 2.200 1.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.93751E-06 ppm1 7.021 ppm2 9.283 CV 1
ASSI { 149}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 61 and name HA ))
2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.28684E-05 ppm1 7.021 ppm2 4.763 CV 1
ASSI { 150}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 61 and name HB3 ))
2.400 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.56521E-05 ppm1 7.021 ppm2 2.772 CV 1
OR { 150}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 61 and name HB3 ))
OR { 150}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 61 and name HB2 ))
OR { 150}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 61 and name HB2 ))
ASSI { 151}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 36 and name HA ))
4.400 2.400 1.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.55621E-06 ppm1 7.022 ppm2 5.522 CV 1
ASSI { 152}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 63 and name HA ))
3.400 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.89682E-06 ppm1 7.023 ppm2 4.200 CV 1
ASSI { 153}
( segid " " and resid 61 and name HD% )
(( segid " " and resid 96 and name HA ))
4.300 2.300 1.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.40977E-06 ppm1 7.024 ppm2 4.064 CV 1
ASSI { 155}
( segid " " and resid 61 and name HE% )
( segid " " and resid 96 and name HD1%)
3.400 1.400 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.14876E-05 ppm1 6.607 ppm2 0.525 CV 1
ASSI { 156}
( segid " " and resid 61 and name HE% )
(( segid " " and resid 63 and name HA ))
2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.21210E-05 ppm1 6.607 ppm2 4.202 CV 1
ASSI { 158}
( segid " " and resid 61 and name HE% )
(( segid " " and resid 61 and name HB3 ))
3.700 1.700 1.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.18191E-05 ppm1 6.609 ppm2 2.752 CV 1
OR { 158}
( segid " " and resid 61 and name HE% )
(( segid " " and resid 61 and name HB2 ))
ASSI { 162}
( segid " " and resid 61 and name HE% )
(( segid " " and resid 61 and name HA ))
4.600 2.700 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.64768E-06 ppm1 6.612 ppm2 4.767 CV 1
ASSI { 166}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 63 and name HA ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.33158E-05 ppm1 6.728 ppm2 4.202 CV 1
ASSI { 167}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 63 and name HB3 ))
2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.36432E-05 ppm1 6.728 ppm2 2.575 CV 1
OR { 167}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 63 and name HB2 ))
ASSI { 168}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 65 and name HA2 ))
4.200 2.200 1.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.43011E-06 ppm1 6.729 ppm2 4.102 CV 1
OR { 168}
( segid " " and resid 63 and name HD% )
(( segid " " and resid 65 and name HA1 ))
ASSI { 171}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 3 and name HZ ))
2.100 0.600 0.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.11103E-04 ppm1 6.729 ppm2 7.282 CV 1
ASSI { 175}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 86 and name HA ))
4.300 2.300 1.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.11083E-05 ppm1 6.731 ppm2 3.825 CV 1
ASSI { 178}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 86 and name HB ))
3.500 1.600 1.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.26244E-05 ppm1 6.731 ppm2 1.595 CV 1
ASSI { 182}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 65 and name HA2 ))
4.000 2.000 2.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.51552E-06 ppm1 7.256 ppm2 4.101 CV 1
OR { 182}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 65 and name HA1 ))
ASSI { 183}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 70 and name HA ))
3.900 1.900 1.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.49925E-06 ppm1 7.257 ppm2 3.816 CV 1
ASSI { 184}
( segid " " and resid 63 and name HE% )
( segid " " and resid 73 and name HD1%)
3.400 3.400 2.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17052E-05 ppm1 7.257 ppm2 0.900 CV 1
ASSI { 185}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 69 and name HB3 ))
3.500 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.79818E-06 ppm1 7.258 ppm2 2.572 CV 1
OR { 185}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 69 and name HB2 ))
ASSI { 190}
( segid " " and resid 63 and name HE% )
(( segid " " and resid 70 and name HB3 ))
4.900 3.000 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.32131E-06 ppm1 7.262 ppm2 1.403 CV 1
ASSI { 191}
( segid " " and resid 63 and name HE% )
( segid " " and resid 70 and name HD1%)
3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.41689E-06 ppm1 7.264 ppm2 0.336 CV 1
ASSI { 192}
( segid " " and resid 63 and name HE% )
( segid " " and resid 63 and name HD% )
2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.22410E-05 ppm1 7.264 ppm2 6.700 CV 1
ASSI { 193}
(( segid " " and resid 63 and name HZ ))
( segid " " and resid 70 and name HD2%)
4.600 2.600 1.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.62634E-06 ppm1 7.308 ppm2 0.573 CV 1
ASSI { 194}
(( segid " " and resid 63 and name HZ ))
( segid " " and resid 38 and name HB% )
4.400 2.400 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.63653E-06 ppm1 7.309 ppm2 1.595 CV 1
ASSI { 195}
(( segid " " and resid 63 and name HZ ))
( segid " " and resid 73 and name HD1%)
3.200 3.200 2.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.25776E-05 ppm1 7.311 ppm2 0.900 CV 1
ASSI { 198}
(( segid " " and resid 63 and name HZ ))
( segid " " and resid 3 and name HD% )
2.900 2.900 3.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.10494E-05 ppm1 7.312 ppm2 7.033 CV 1
ASSI { 199}
(( segid " " and resid 63 and name HZ ))
( segid " " and resid 70 and name HD1%)
3.200 1.300 1.300 peak 199 spectrum 1 weight 0.10000E+01 volume 0.15750E-05 ppm1 7.312 ppm2 0.336 CV 1
ASSI { 200}
(( segid " " and resid 63 and name HZ ))
(( segid " " and resid 70 and name HB2 ))
3.300 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.17042E-05 ppm1 7.312 ppm2 1.396 CV 1
OR { 200}
(( segid " " and resid 63 and name HZ ))
(( segid " " and resid 70 and name HB3 ))
ASSI { 201}
(( segid " " and resid 63 and name HZ ))
(( segid " " and resid 69 and name HB3 ))
3.000 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.25989E-05 ppm1 7.313 ppm2 2.577 CV 1
OR { 201}
(( segid " " and resid 63 and name HZ ))
(( segid " " and resid 69 and name HB2 ))
ASSI { 207}
(( segid " " and resid 63 and name HZ ))
(( segid " " and resid 70 and name HA ))
3.300 1.400 1.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.93239E-06 ppm1 7.318 ppm2 3.822 CV 1
ASSI { 208}
(( segid " " and resid 63 and name HZ ))
(( segid " " and resid 70 and name HG ))
4.600 2.700 1.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.58365E-06 ppm1 7.320 ppm2 1.296 CV 1
ASSI { 209}
(( segid " " and resid 63 and name HZ ))
( segid " " and resid 4 and name HB% )
3.700 1.700 1.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.79004E-06 ppm1 7.320 ppm2 1.512 CV 1
ASSI { 211}
(( segid " " and resid 63 and name HZ ))
(( segid " " and resid 63 and name HA ))
4.700 2.800 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.54603E-06 ppm1 7.324 ppm2 4.200 CV 1
ASSI { 212}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 76 and name HG3 ))
3.400 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.81855E-06 ppm1 6.985 ppm2 0.935 CV 1
OR { 212}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 76 and name HG2 ))
ASSI { 215}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 77 and name HD2 ))
3.900 1.900 1.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.78093E-06 ppm1 6.986 ppm2 3.719 CV 1
ASSI { 217}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 77 and name HG3 ))
2.900 2.900 3.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.11439E-05 ppm1 6.986 ppm2 2.124 CV 1
ASSI { 218}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 77 and name HD3 ))
2.700 2.700 3.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.18353E-05 ppm1 6.986 ppm2 3.460 CV 1
ASSI { 219}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 78 and name HB2 ))
2.900 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.28959E-05 ppm1 6.986 ppm2 3.252 CV 1
OR { 219}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 78 and name HB3 ))
ASSI { 222}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 78 and name HA ))
4.200 2.200 1.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.68428E-06 ppm1 6.987 ppm2 4.917 CV 1
ASSI { 223}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 76 and name HD3 ))
4.000 2.000 2.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.72600E-06 ppm1 6.987 ppm2 3.102 CV 1
ASSI { 224}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 77 and name HG2 ))
3.200 1.300 1.300 peak 224 spectrum 1 weight 0.10000E+01 volume 0.14794E-05 ppm1 6.987 ppm2 1.859 CV 1
ASSI { 225}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 19 and name HA1 ))
3.800 3.800 2.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.21862E-06 ppm1 6.988 ppm2 4.160 CV 1
ASSI { 226}
(( segid " " and resid 78 and name HD2 ))
(( segid " " and resid 18 and name HG2 ))
3.600 3.600 2.400 peak 226 spectrum 1 weight 0.10000E+01 volume 0.27454E-06 ppm1 6.988 ppm2 2.461 CV 1
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