NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14541 |
1wxn   |
6467 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.800 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.31429E-02 ppm1 1.886 ppm2 9.195 CV 1
ASSI { 3}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HN ))
2.500 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.48909E-02 ppm1 3.074 ppm2 9.195 CV 1
ASSI { 4}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.17956E-02 ppm1 4.805 ppm2 9.195 CV 1
ASSI { 5}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HB3 ))
1.700 0.300 0.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.24603E-01 ppm1 1.886 ppm2 3.074 CV 1
ASSI { 6}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.400 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.42733E-02 ppm1 1.886 ppm2 4.805 CV 1
ASSI { 7}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HA ))
3.300 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 3.074 ppm2 4.805 CV 1
ASSI { 8}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.900 1.000 1.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.23647E-02 ppm1 3.984 ppm2 9.012 CV 1
ASSI { 9}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.700 1.700 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.18428E-02 ppm1 2.791 ppm2 9.012 CV 1
ASSI { 10}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.46344E-02 ppm1 2.657 ppm2 9.012 CV 1
ASSI { 11}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
3.700 1.700 1.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.10432E-02 ppm1 2.657 ppm2 3.984 CV 1
ASSI { 12}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HA ))
3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.14083E-02 ppm1 2.791 ppm2 3.984 CV 1
ASSI { 13}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB3 ))
1.800 0.400 0.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.13515E-01 ppm1 2.657 ppm2 2.791 CV 1
ASSI { 14}
(( segid " " and resid 7 and name HA2 ))
(( segid " " and resid 7 and name HN ))
2.800 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.51996E-02 ppm1 3.685 ppm2 8.885 CV 1
ASSI { 15}
(( segid " " and resid 7 and name HA1 ))
(( segid " " and resid 7 and name HN ))
2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.10755E-01 ppm1 3.365 ppm2 8.885 CV 1
ASSI { 16}
(( segid " " and resid 7 and name HA1 ))
(( segid " " and resid 7 and name HA2 ))
1.800 0.400 0.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.21890E-01 ppm1 3.365 ppm2 3.685 CV 1
ASSI { 17}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 27 and name HN ))
3.300 1.400 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.33056E-02 ppm1 0.923 ppm2 9.578 CV 1
ASSI { 18}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 27 and name HN ))
3.500 1.600 1.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.59413E-03 ppm1 4.241 ppm2 9.578 CV 1
ASSI { 19}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.800 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27928E-02 ppm1 4.315 ppm2 9.578 CV 1
ASSI { 20}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 39 and name HA ))
2.400 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.63410E-02 ppm1 0.311 ppm2 4.435 CV 1
ASSI { 22}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 27 and name HA ))
4.200 2.200 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.30409E-03 ppm1 4.241 ppm2 4.315 CV 1
ASSI { 23}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.36557E-02 ppm1 4.471 ppm2 8.782 CV 1
ASSI { 26}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.600 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.43808E-02 ppm1 2.489 ppm2 8.782 CV 1
ASSI { 27}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.21135E-02 ppm1 2.653 ppm2 8.782 CV 1
ASSI { 28}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HB3 ))
1.600 0.300 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.40417E-01 ppm1 2.489 ppm2 2.653 CV 1
ASSI { 29}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
2.900 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.27335E-02 ppm1 4.122 ppm2 8.590 CV 1
ASSI { 30}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 2 and name HN ))
2.900 1.100 1.100 peak 30 spectrum 1 weight 0.10000E+01 volume 0.42457E-02 ppm1 3.972 ppm2 8.590 CV 1
ASSI { 31}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 2 and name HA ))
2.900 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.20611E-02 ppm1 3.972 ppm2 4.122 CV 1
ASSI { 32}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HB ))
3.000 1.100 1.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.20661E-02 ppm1 1.017 ppm2 3.972 CV 1
ASSI { 33}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HA ))
3.300 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.12809E-02 ppm1 1.017 ppm2 4.122 CV 1
ASSI { 34}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HN ))
3.100 1.200 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.18279E-02 ppm1 1.017 ppm2 8.590 CV 1
ASSI { 35}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
2.900 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.21581E-02 ppm1 4.343 ppm2 8.403 CV 1
ASSI { 36}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
3.000 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.52575E-02 ppm1 1.794 ppm2 8.403 CV 1
ASSI { 37}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HN ))
2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.23663E-02 ppm1 0.799 ppm2 8.403 CV 1
ASSI { 38}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.46317E-02 ppm1 0.799 ppm2 4.343 CV 1
ASSI { 39}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HA ))
2.900 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.19574E-02 ppm1 1.794 ppm2 4.343 CV 1
ASSI { 40}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
1.700 0.400 0.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.24879E-01 ppm1 0.799 ppm2 1.794 CV 1
ASSI { 41}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.31236E-02 ppm1 4.142 ppm2 8.324 CV 1
ASSI { 42}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HE ))
4.800 2.900 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.27569E-03 ppm1 4.142 ppm2 7.382 CV 1
ASSI { 43}
(( segid " " and resid 24 and name HD3 ))
(( segid " " and resid 24 and name HN ))
4.900 3.000 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.26580E-03 ppm1 2.954 ppm2 8.324 CV 1
ASSI { 44}
(( segid " " and resid 24 and name HD3 ))
(( segid " " and resid 24 and name HE ))
2.600 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.36998E-02 ppm1 2.954 ppm2 7.382 CV 1
ASSI { 45}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HE ))
2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.35565E-02 ppm1 2.848 ppm2 7.382 CV 1
ASSI { 46}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HE ))
3.000 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.20602E-02 ppm1 1.289 ppm2 7.382 CV 1
ASSI { 47}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HN ))
3.400 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 1.289 ppm2 8.324 CV 1
ASSI { 48}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.21946E-02 ppm1 1.123 ppm2 8.324 CV 1
ASSI { 49}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HE ))
3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.21672E-02 ppm1 1.123 ppm2 7.382 CV 1
ASSI { 50}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.36777E-02 ppm1 0.468 ppm2 8.324 CV 1
OR { 50}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
ASSI { 51}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HE ))
2.800 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.31843E-02 ppm1 0.468 ppm2 7.382 CV 1
OR { 51}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HE ))
ASSI { 52}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HA ))
4.400 2.400 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.21256E-03 ppm1 0.468 ppm2 4.142 CV 1
OR { 52}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HA ))
ASSI { 53}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD3 ))
3.600 1.700 1.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11538E-02 ppm1 0.468 ppm2 2.954 CV 1
OR { 53}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HD3 ))
ASSI { 54}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD2 ))
3.500 1.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 0.468 ppm2 2.848 CV 1
OR { 54}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 55}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HD3 ))
2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.37108E-02 ppm1 1.123 ppm2 2.954 CV 1
ASSI { 56}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HD2 ))
2.600 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.38018E-02 ppm1 1.123 ppm2 2.848 CV 1
ASSI { 57}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HD3 ))
3.200 1.300 1.300 peak 57 spectrum 1 weight 0.10000E+01 volume 0.11224E-02 ppm1 1.289 ppm2 2.954 CV 1
ASSI { 58}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HD2 ))
3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17435E-02 ppm1 1.289 ppm2 2.848 CV 1
ASSI { 59}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HD3 ))
2.000 0.500 0.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.77776E-02 ppm1 2.848 ppm2 2.954 CV 1
ASSI { 60}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HG3 ))
2.100 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14620E-01 ppm1 0.468 ppm2 1.289 CV 1
OR { 60}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HG3 ))
ASSI { 61}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HG3 ))
1.800 0.400 0.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.16553E-01 ppm1 1.123 ppm2 1.289 CV 1
ASSI { 62}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HG2 ))
2.500 0.800 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.57675E-02 ppm1 0.468 ppm2 1.123 CV 1
OR { 62}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HG2 ))
ASSI { 67}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.700 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.25066E-02 ppm1 4.076 ppm2 8.461 CV 1
ASSI { 68}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HZ% )
6.000 6.000 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.48522E-05 ppm1 4.076 ppm2 7.296 CV 1
ASSI { 69}
(( segid " " and resid 10 and name HE3 ))
( segid " " and resid 10 and name HZ% )
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.12624E-02 ppm1 2.706 ppm2 7.296 CV 1
OR { 69}
(( segid " " and resid 10 and name HE2 ))
( segid " " and resid 10 and name HZ% )
ASSI { 71}
(( segid " " and resid 10 and name HE2 ))
(( segid " " and resid 10 and name HN ))
3.000 3.000 3.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 2.706 ppm2 8.461 CV 1
OR { 71}
(( segid " " and resid 10 and name HE3 ))
(( segid " " and resid 10 and name HN ))
ASSI { 72}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.22163E-02 ppm1 1.719 ppm2 8.461 CV 1
ASSI { 73}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 10 and name HZ% )
6.000 6.000 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.88497E-05 ppm1 1.719 ppm2 7.296 CV 1
ASSI { 74}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.60764E-02 ppm1 1.559 ppm2 8.461 CV 1
ASSI { 75}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 10 and name HZ% )
6.000 6.000 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.69199E-05 ppm1 1.559 ppm2 7.296 CV 1
ASSI { 76}
(( segid " " and resid 10 and name HD2 ))
( segid " " and resid 10 and name HZ% )
6.000 4.700 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.38652E-04 ppm1 1.390 ppm2 7.296 CV 1
OR { 76}
(( segid " " and resid 10 and name HD3 ))
( segid " " and resid 10 and name HZ% )
ASSI { 77}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 10 and name HN ))
4.200 2.200 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.68428E-03 ppm1 1.390 ppm2 8.461 CV 1
OR { 77}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HN ))
ASSI { 78}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.24528E-02 ppm1 1.321 ppm2 8.461 CV 1
ASSI { 79}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HN ))
3.300 1.300 1.300 peak 79 spectrum 1 weight 0.10000E+01 volume 0.17369E-02 ppm1 1.199 ppm2 8.461 CV 1
ASSI { 80}
(( segid " " and resid 10 and name HG2 ))
( segid " " and resid 10 and name HZ% )
6.000 6.000 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.21835E-04 ppm1 1.199 ppm2 7.296 CV 1
ASSI { 81}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HE2 ))
3.400 1.400 1.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 1.199 ppm2 2.706 CV 1
OR { 81}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HE3 ))
ASSI { 82}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 10 and name HE2 ))
2.600 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.47558E-02 ppm1 1.390 ppm2 2.706 CV 1
OR { 82}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HE3 ))
OR { 82}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 10 and name HE3 ))
OR { 82}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HE2 ))
ASSI { 83}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HE3 ))
3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.82349E-03 ppm1 1.321 ppm2 2.706 CV 1
OR { 83}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HE2 ))
ASSI { 84}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HE3 ))
6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.559 ppm2 2.706 CV 1
OR { 84}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HE2 ))
ASSI { 85}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HE3 ))
5.200 3.400 0.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.12574E-03 ppm1 1.719 ppm2 2.706 CV 1
OR { 85}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HE2 ))
ASSI { 86}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HA ))
3.000 1.100 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12420E-02 ppm1 1.719 ppm2 4.076 CV 1
ASSI { 87}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HA ))
4.000 2.000 2.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.37054E-03 ppm1 1.559 ppm2 4.076 CV 1
ASSI { 88}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HA ))
4.200 2.200 1.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.82711E-03 ppm1 1.390 ppm2 4.076 CV 1
OR { 88}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 10 and name HA ))
ASSI { 89}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB3 ))
2.600 0.800 0.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.33084E-02 ppm1 1.199 ppm2 1.719 CV 1
ASSI { 90}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 10 and name HB3 ))
2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.41575E-02 ppm1 1.390 ppm2 1.719 CV 1
OR { 90}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HB3 ))
ASSI { 91}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HB3 ))
3.400 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.19635E-02 ppm1 1.321 ppm2 1.719 CV 1
ASSI { 92}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HB2 ))
2.600 0.900 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.28396E-02 ppm1 1.321 ppm2 1.559 CV 1
ASSI { 93}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HB2 ))
2.400 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.81440E-02 ppm1 1.390 ppm2 1.559 CV 1
OR { 93}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 94}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
1.700 0.300 0.500 peak 94 spectrum 1 weight 0.10000E+01 volume 0.24010E-01 ppm1 1.559 ppm2 1.719 CV 1
ASSI { 95}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB2 ))
2.800 1.000 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.54422E-02 ppm1 1.199 ppm2 1.559 CV 1
ASSI { 96}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HD2 ))
2.100 0.500 0.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.16999E-01 ppm1 1.199 ppm2 1.390 CV 1
OR { 96}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HD3 ))
ASSI { 97}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HG3 ))
1.700 0.400 0.500 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21245E-01 ppm1 1.199 ppm2 1.321 CV 1
ASSI { 98}
(( segid " " and resid 10 and name HG3 ))
( segid " " and resid 10 and name HZ% )
6.000 4.400 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.55002E-04 ppm1 1.322 ppm2 7.296 CV 1
ASSI { 99}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 99 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 4.189 ppm2 8.532 CV 1
ASSI { 100}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HN ))
6.000 6.000 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.51004E-05 ppm1 2.940 ppm2 8.532 CV 1
OR { 100}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 101}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.200 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12031E-01 ppm1 1.497 ppm2 8.532 CV 1
OR { 101}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 102}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HN ))
3.900 1.900 1.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.14689E-02 ppm1 1.383 ppm2 8.532 CV 1
OR { 102}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 103}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HE ))
3.800 1.800 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.57841E-03 ppm1 1.381 ppm2 6.903 CV 1
OR { 103}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HE ))
ASSI { 104}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HE ))
3.400 1.500 1.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 1.497 ppm2 6.903 CV 1
OR { 104}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HE ))
ASSI { 105}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HA ))
3.100 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.14951E-02 ppm1 1.497 ppm2 4.189 CV 1
OR { 105}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HA ))
ASSI { 106}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HA ))
6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.941 ppm2 4.189 CV 1
OR { 106}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 31 and name HA ))
ASSI { 107}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HE ))
2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.38432E-02 ppm1 2.941 ppm2 6.903 CV 1
OR { 107}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 31 and name HE ))
ASSI { 108}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HD3 ))
2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.76889E-02 ppm1 1.497 ppm2 2.941 CV 1
OR { 108}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HD2 ))
OR { 108}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HD2 ))
OR { 108}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HD3 ))
ASSI { 109}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HD3 ))
2.600 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.43367E-02 ppm1 1.387 ppm2 2.940 CV 1
OR { 109}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HD2 ))
OR { 109}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HD2 ))
OR { 109}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HD3 ))
ASSI { 110}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HA ))
4.400 2.400 1.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.27556E-03 ppm1 1.386 ppm2 4.189 CV 1
OR { 110}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HA ))
ASSI { 111}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HB3 ))
2.300 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.98479E-02 ppm1 1.385 ppm2 1.496 CV 1
OR { 111}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HB2 ))
OR { 111}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 31 and name HB2 ))
OR { 111}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HB3 ))
ASSI { 112}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.66415E-02 ppm1 4.175 ppm2 7.979 CV 1
ASSI { 113}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.21738E-02 ppm1 2.522 ppm2 7.979 CV 1
ASSI { 114}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.22472E-02 ppm1 2.387 ppm2 7.979 CV 1
ASSI { 115}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.86537E-03 ppm1 2.387 ppm2 4.175 CV 1
ASSI { 116}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
3.500 1.600 1.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.86594E-03 ppm1 2.522 ppm2 4.175 CV 1
ASSI { 117}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HB3 ))
1.700 0.400 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.19238E-01 ppm1 2.387 ppm2 2.522 CV 1
ASSI { 118}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HE ))
2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.33249E-02 ppm1 2.920 ppm2 6.946 CV 1
ASSI { 119}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HN ))
3.800 1.800 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.25083E-03 ppm1 2.920 ppm2 7.128 CV 1
ASSI { 120}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.800 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14303E-02 ppm1 1.765 ppm2 7.128 CV 1
ASSI { 122}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.24827E-02 ppm1 1.586 ppm2 7.128 CV 1
ASSI { 123}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HN ))
2.900 1.000 1.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.38846E-02 ppm1 1.510 ppm2 7.128 CV 1
OR { 123}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HN ))
ASSI { 124}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HE ))
4.100 2.100 1.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.72594E-03 ppm1 1.586 ppm2 6.946 CV 1
ASSI { 125}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HE ))
2.500 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.52299E-02 ppm1 1.510 ppm2 6.946 CV 1
OR { 125}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HE ))
ASSI { 126}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HD3 ))
2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.44194E-02 ppm1 1.510 ppm2 3.078 CV 1
OR { 126}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD3 ))
ASSI { 127}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD3 ))
4.100 2.200 1.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.44167E-03 ppm1 1.586 ppm2 3.078 CV 1
ASSI { 128}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD2 ))
6.000 4.800 0.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.50976E-04 ppm1 1.586 ppm2 2.920 CV 1
ASSI { 129}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HD2 ))
3.600 1.600 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.64044E-03 ppm1 1.765 ppm2 2.920 CV 1
ASSI { 130}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HD3 ))
3.200 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.14551E-02 ppm1 1.765 ppm2 3.078 CV 1
ASSI { 131}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HE ))
3.400 1.400 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.15351E-02 ppm1 1.765 ppm2 6.946 CV 1
ASSI { 132}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HE ))
2.800 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.25549E-02 ppm1 3.078 ppm2 6.946 CV 1
ASSI { 133}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HD3 ))
1.600 0.300 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.24812E-01 ppm1 2.920 ppm2 3.078 CV 1
ASSI { 134}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB3 ))
2.300 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.11433E-01 ppm1 1.510 ppm2 1.765 CV 1
OR { 134}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB3 ))
ASSI { 135}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HB3 ))
1.700 0.400 0.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.21832E-01 ppm1 1.586 ppm2 1.765 CV 1
ASSI { 136}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB2 ))
2.000 0.500 0.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.18163E-01 ppm1 1.517 ppm2 1.582 CV 1
OR { 136}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 137}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD2 ))
2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.49377E-02 ppm1 1.510 ppm2 2.920 CV 1
OR { 137}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 138}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 0.900 0.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.53485E-02 ppm1 4.371 ppm2 8.299 CV 1
ASSI { 139}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.700 1.700 1.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.85110E-03 ppm1 2.696 ppm2 8.299 CV 1
ASSI { 140}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.600 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.77500E-03 ppm1 2.562 ppm2 8.299 CV 1
ASSI { 141}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
4.900 3.000 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14361E-03 ppm1 2.562 ppm2 4.371 CV 1
ASSI { 142}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HA ))
4.100 2.100 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.36006E-03 ppm1 2.696 ppm2 4.371 CV 1
ASSI { 143}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
1.800 0.400 0.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.25684E-01 ppm1 2.562 ppm2 2.696 CV 1
ASSI { 144}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
5.200 3.400 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.43477E-04 ppm1 4.497 ppm2 8.487 CV 1
ASSI { 145}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.200 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.74191E-02 ppm1 2.411 ppm2 8.487 CV 1
ASSI { 146}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.57290E-02 ppm1 2.003 ppm2 8.487 CV 1
ASSI { 147}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.400 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.40803E-02 ppm1 2.003 ppm2 4.497 CV 1
ASSI { 148}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HA ))
6.000 5.100 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.18279E-04 ppm1 2.411 ppm2 4.497 CV 1
ASSI { 149}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HB3 ))
1.600 0.300 0.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.25356E-01 ppm1 2.003 ppm2 2.411 CV 1
ASSI { 150}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.900 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.24498E-02 ppm1 4.669 ppm2 8.478 CV 1
ASSI { 151}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.33911E-02 ppm1 3.159 ppm2 4.669 CV 1
ASSI { 152}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 152 spectrum 1 weight 0.10000E+01 volume 0.99771E-03 ppm1 2.879 ppm2 8.478 CV 1
ASSI { 153}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HB3 ))
1.600 0.300 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.31705E-01 ppm1 2.879 ppm2 3.159 CV 1
ASSI { 154}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.67821E-02 ppm1 2.879 ppm2 4.669 CV 1
ASSI { 155}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.800 1.800 1.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.14945E-02 ppm1 3.159 ppm2 8.478 CV 1
ASSI { 156}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.35840E-02 ppm1 4.324 ppm2 7.777 CV 1
ASSI { 157}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.600 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.72892E-02 ppm1 3.651 ppm2 7.777 CV 1
ASSI { 158}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.900 1.000 1.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.23186E-02 ppm1 3.485 ppm2 7.777 CV 1
ASSI { 159}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HA ))
6.000 6.000 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.95944E-05 ppm1 3.485 ppm2 4.324 CV 1
ASSI { 160}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HA ))
4.300 2.300 1.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.21104E-03 ppm1 3.651 ppm2 4.324 CV 1
ASSI { 161}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HB3 ))
1.800 0.400 0.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.18648E-01 ppm1 3.485 ppm2 3.651 CV 1
ASSI { 162}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HN ))
4.900 3.000 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.33221E-03 ppm1 0.801 ppm2 8.270 CV 1
ASSI { 163}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 36 and name HN ))
2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.49873E-02 ppm1 3.246 ppm2 8.270 CV 1
ASSI { 164}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.17661E-02 ppm1 4.544 ppm2 8.270 CV 1
ASSI { 165}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HB ))
2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.84088E-02 ppm1 0.801 ppm2 3.246 CV 1
ASSI { 166}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.45876E-02 ppm1 2.500 ppm2 7.540 CV 1
ASSI { 167}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.700 1.700 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.17973E-02 ppm1 3.065 ppm2 7.540 CV 1
ASSI { 168}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.21640E-02 ppm1 4.640 ppm2 7.540 CV 1
ASSI { 169}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
1.700 0.400 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.24173E-01 ppm1 2.500 ppm2 3.065 CV 1
ASSI { 170}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
2.800 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.36006E-02 ppm1 4.332 ppm2 7.898 CV 1
ASSI { 171}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HA ))
3.400 1.500 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.11877E-02 ppm1 2.592 ppm2 4.332 CV 1
OR { 171}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HA ))
ASSI { 172}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
3.000 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.24758E-02 ppm1 2.592 ppm2 7.898 CV 1
OR { 172}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HN ))
ASSI { 173}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HN ))
2.200 0.600 0.600 peak 173 spectrum 1 weight 0.10000E+01 volume 0.91145E-02 ppm1 3.245 ppm2 8.159 CV 1
ASSI { 174}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.47530E-02 ppm1 3.560 ppm2 8.159 CV 1
ASSI { 175}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HA2 ))
1.700 0.400 0.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.28176E-01 ppm1 3.245 ppm2 3.560 CV 1
ASSI { 176}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.300 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10322E-01 ppm1 3.710 ppm2 8.445 CV 1
ASSI { 177}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.800 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.28783E-02 ppm1 2.741 ppm2 8.445 CV 1
OR { 177}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
ASSI { 178}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HA ))
2.800 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.37798E-02 ppm1 2.741 ppm2 3.710 CV 1
OR { 178}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HA ))
ASSI { 179}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.26742E-02 ppm1 3.795 ppm2 8.545 CV 1
ASSI { 180}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.76534E-02 ppm1 2.504 ppm2 8.545 CV 1
OR { 180}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 181}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.30437E-02 ppm1 2.505 ppm2 3.796 CV 1
OR { 181}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HA ))
ASSI { 182}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.700 0.900 0.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.28176E-02 ppm1 3.600 ppm2 7.616 CV 1
ASSI { 183}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.200 1.300 1.300 peak 183 spectrum 1 weight 0.10000E+01 volume 0.51638E-02 ppm1 2.543 ppm2 7.616 CV 1
ASSI { 184}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.36833E-02 ppm1 2.234 ppm2 7.616 CV 1
ASSI { 187}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HB3 ))
6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.234 ppm2 2.543 CV 1
ASSI { 188}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
4.500 2.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.21281E-03 ppm1 3.335 ppm2 7.923 CV 1
ASSI { 189}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HA ))
3.100 1.200 1.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16536E-02 ppm1 3.947 ppm2 5.288 CV 1
ASSI { 190}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.28342E-02 ppm1 5.288 ppm2 7.923 CV 1
ASSI { 191}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HA ))
3.100 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.19390E-02 ppm1 3.335 ppm2 5.288 CV 1
ASSI { 192}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.62941E-03 ppm1 3.947 ppm2 7.923 CV 1
ASSI { 193}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HB3 ))
2.000 0.500 0.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.95504E-02 ppm1 3.335 ppm2 3.947 CV 1
ASSI { 194}
( segid " " and resid 3 and name HB% )
(( segid " " and resid 3 and name HN ))
2.300 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.11243E-01 ppm1 1.169 ppm2 8.239 CV 1
ASSI { 195}
( segid " " and resid 3 and name HB% )
(( segid " " and resid 3 and name HA ))
3.000 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 1.169 ppm2 4.245 CV 1
ASSI { 196}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
2.800 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.26993E-02 ppm1 4.245 ppm2 8.239 CV 1
ASSI { 197}
(( segid " " and resid 28 and name HA2 ))
(( segid " " and resid 28 and name HN ))
2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.28589E-02 ppm1 4.199 ppm2 8.104 CV 1
ASSI { 198}
(( segid " " and resid 28 and name HA1 ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.32532E-02 ppm1 3.412 ppm2 8.104 CV 1
ASSI { 199}
(( segid " " and resid 28 and name HA1 ))
(( segid " " and resid 28 and name HA2 ))
2.400 0.700 0.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.30795E-02 ppm1 3.412 ppm2 4.199 CV 1
ASSI { 200}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
3.600 1.600 1.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.62335E-03 ppm1 4.599 ppm2 8.104 CV 1
ASSI { 201}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
3.500 1.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.14959E-02 ppm1 2.885 ppm2 8.104 CV 1
ASSI { 202}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.36089E-02 ppm1 2.300 ppm2 8.104 CV 1
ASSI { 203}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HB3 ))
1.700 0.300 0.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.34931E-01 ppm1 2.300 ppm2 2.885 CV 1
ASSI { 204}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HD2 ))
2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.25535E-02 ppm1 1.624 ppm2 3.463 CV 1
OR { 204}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HD2 ))
ASSI { 205}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HD2 ))
2.900 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.55498E-02 ppm1 1.797 ppm2 3.463 CV 1
OR { 205}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HD2 ))
ASSI { 206}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HD3 ))
3.500 1.600 1.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.19365E-02 ppm1 1.797 ppm2 3.602 CV 1
OR { 206}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HD3 ))
ASSI { 207}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HD3 ))
2.900 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.20429E-02 ppm1 1.621 ppm2 3.602 CV 1
OR { 207}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HD3 ))
ASSI { 208}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HB3 ))
3.000 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.32560E-02 ppm1 0.431 ppm2 1.773 CV 1
ASSI { 209}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB3 ))
2.600 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.27148E-02 ppm1 0.503 ppm2 1.773 CV 1
ASSI { 210}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HD2 ))
3.100 1.200 1.200 peak 210 spectrum 1 weight 0.10000E+01 volume 0.33000E-02 ppm1 0.503 ppm2 2.185 CV 1
ASSI { 211}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HD2 ))
2.700 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.22301E-02 ppm1 0.431 ppm2 2.185 CV 1
ASSI { 212}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HD3 ))
2.900 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.42209E-02 ppm1 0.431 ppm2 2.447 CV 1
ASSI { 213}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HD3 ))
2.800 1.000 1.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.17273E-02 ppm1 0.503 ppm2 2.447 CV 1
ASSI { 214}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HD3 ))
4.000 2.000 2.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11899E-02 ppm1 1.283 ppm2 2.447 CV 1
ASSI { 215}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HD2 ))
6.000 5.200 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.29389E-04 ppm1 1.283 ppm2 2.185 CV 1
ASSI { 216}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
1.700 0.400 0.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.19200E-01 ppm1 1.283 ppm2 1.773 CV 1
ASSI { 217}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HD3 ))
4.600 2.700 1.400 peak 217 spectrum 1 weight 0.10000E+01 volume 0.38625E-03 ppm1 1.773 ppm2 2.447 CV 1
ASSI { 218}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HD2 ))
4.500 2.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.57593E-03 ppm1 1.773 ppm2 2.185 CV 1
ASSI { 219}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HD3 ))
1.600 0.300 0.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.27928E-01 ppm1 2.185 ppm2 2.447 CV 1
ASSI { 220}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HA ))
6.000 6.000 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.27845E-05 ppm1 0.431 ppm2 4.057 CV 1
ASSI { 221}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HA ))
6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.503 ppm2 4.057 CV 1
ASSI { 222}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HA ))
3.100 1.200 1.200 peak 222 spectrum 1 weight 0.10000E+01 volume 0.10432E-02 ppm1 1.773 ppm2 4.057 CV 1
ASSI { 223}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
4.100 2.100 1.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.56435E-03 ppm1 1.283 ppm2 4.057 CV 1
ASSI { 224}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HD3 ))
1.700 0.400 0.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.10419E-01 ppm1 3.620 ppm2 3.848 CV 1
ASSI { 225}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HD3 ))
6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.254 ppm2 3.848 CV 1
ASSI { 226}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HD2 ))
4.400 2.400 1.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.63686E-03 ppm1 2.254 ppm2 3.620 CV 1
ASSI { 227}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HD2 ))
6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.059 ppm2 3.620 CV 1
ASSI { 228}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HD3 ))
6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.059 ppm2 3.848 CV 1
ASSI { 229}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 40 and name HD3 ))
2.900 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.92359E-03 ppm1 1.745 ppm2 3.848 CV 1
ASSI { 230}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HD3 ))
3.300 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.14355E-02 ppm1 1.641 ppm2 3.848 CV 1
ASSI { 231}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HD2 ))
2.600 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.19420E-02 ppm1 1.641 ppm2 3.620 CV 1
ASSI { 232}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 40 and name HD2 ))
3.100 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.26773E-02 ppm1 1.745 ppm2 3.620 CV 1
ASSI { 233}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 40 and name HB3 ))
2.400 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.31870E-02 ppm1 1.745 ppm2 2.254 CV 1
ASSI { 234}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HB3 ))
1.500 0.300 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.29086E-01 ppm1 2.059 ppm2 2.254 CV 1
ASSI { 235}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HB2 ))
2.200 0.600 0.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.59550E-02 ppm1 1.641 ppm2 2.059 CV 1
ASSI { 236}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.34600E-02 ppm1 1.745 ppm2 2.059 CV 1
ASSI { 237}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HB3 ))
3.200 1.300 1.300 peak 237 spectrum 1 weight 0.10000E+01 volume 0.21400E-02 ppm1 1.641 ppm2 2.254 CV 1
ASSI { 238}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HN ))
6.000 5.300 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.43201E-04 ppm1 2.848 ppm2 8.324 CV 1
ASSI { 239}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.48991E-02 ppm1 3.956 ppm2 8.314 CV 1
ASSI { 240}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
4.200 2.200 1.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.56380E-03 ppm1 2.948 ppm2 8.314 CV 1
ASSI { 241}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.700 1.800 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.78323E-03 ppm1 2.428 ppm2 8.314 CV 1
ASSI { 242}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.200 1.300 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.22444E-02 ppm1 2.428 ppm2 3.956 CV 1
ASSI { 243}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HA ))
3.100 1.200 1.200 peak 243 spectrum 1 weight 0.10000E+01 volume 0.13382E-02 ppm1 2.948 ppm2 3.956 CV 1
ASSI { 244}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
1.700 0.400 0.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.24619E-01 ppm1 2.428 ppm2 2.948 CV 1
ASSI { 245}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HA ))
6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.185 ppm2 4.057 CV 1
ASSI { 246}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HA ))
6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.447 ppm2 4.057 CV 1
ASSI { 247}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.87922E-02 ppm1 4.219 ppm2 6.916 CV 1
ASSI { 248}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.200 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.18618E-02 ppm1 3.465 ppm2 6.916 CV 1
OR { 248}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
ASSI { 249}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HA ))
3.200 1.300 1.300 peak 249 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 3.465 ppm2 4.219 CV 1
OR { 249}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
ASSI { 250}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
3.000 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.17410E-02 ppm1 4.642 ppm2 6.927 CV 1
ASSI { 251}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HN ))
4.300 2.400 1.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.28452E-03 ppm1 3.394 ppm2 6.927 CV 1
ASSI { 252}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HN ))
3.500 1.500 1.500 peak 252 spectrum 1 weight 0.10000E+01 volume 0.95504E-03 ppm1 3.264 ppm2 6.927 CV 1
ASSI { 253}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HB3 ))
1.700 0.400 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.26064E-01 ppm1 3.264 ppm2 3.394 CV 1
ASSI { 254}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HA ))
2.700 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.32256E-02 ppm1 3.394 ppm2 4.642 CV 1
ASSI { 255}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.900 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.23985E-02 ppm1 3.264 ppm2 4.642 CV 1
ASSI { 263}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HD% )
2.700 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.41658E-02 ppm1 4.175 ppm2 6.517 CV 1
ASSI { 264}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 32 and name HD% )
2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.62169E-02 ppm1 2.522 ppm2 6.517 CV 1
ASSI { 265}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 32 and name HD% )
2.400 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.66195E-02 ppm1 2.387 ppm2 6.517 CV 1
ASSI { 266}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 15 and name HD% )
2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.51197E-02 ppm1 2.234 ppm2 6.717 CV 1
ASSI { 267}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 15 and name HD% )
2.700 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.36143E-02 ppm1 2.543 ppm2 6.717 CV 1
ASSI { 268}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HD% )
2.800 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.31015E-02 ppm1 3.600 ppm2 6.717 CV 1
ASSI { 269}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 13 and name HD% )
2.800 1.000 1.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.29830E-02 ppm1 3.600 ppm2 6.461 CV 1
ASSI { 270}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 13 and name HD% )
3.100 3.100 2.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.41272E-02 ppm1 2.543 ppm2 6.461 CV 1
ASSI { 272}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HD% )
2.800 1.000 1.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.36337E-02 ppm1 3.710 ppm2 6.489 CV 1
ASSI { 273}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 33 and name HD% )
2.400 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.89271E-02 ppm1 2.741 ppm2 6.489 CV 1
OR { 273}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 33 and name HD% )
ASSI { 274}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.53016E-02 ppm1 1.665 ppm2 8.522 CV 1
ASSI { 275}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.39066E-02 ppm1 4.443 ppm2 8.522 CV 1
ASSI { 276}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HN ))
3.700 1.700 1.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.17604E-02 ppm1 0.445 ppm2 8.522 CV 1
ASSI { 277}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 39 and name HB ))
2.500 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.56132E-02 ppm1 0.311 ppm2 3.717 CV 1
ASSI { 279}
(( segid " " and resid 39 and name HB ))
(( segid " " and resid 39 and name HA ))
4.200 2.200 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.13997E-03 ppm1 3.717 ppm2 4.436 CV 1
ASSI { 280}
(( segid " " and resid 39 and name HB ))
(( segid " " and resid 39 and name HN ))
3.700 1.700 1.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.82874E-03 ppm1 3.717 ppm2 8.090 CV 1
ASSI { 281}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 39 and name HN ))
2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.65175E-02 ppm1 0.311 ppm2 8.090 CV 1
ASSI { 282}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.17791E-02 ppm1 4.436 ppm2 8.090 CV 1
ASSI { 283}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HD1 ))
2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.30823E-02 ppm1 2.657 ppm2 6.765 CV 1
ASSI { 284}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HD1 ))
4.000 2.000 2.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.87396E-03 ppm1 2.791 ppm2 6.765 CV 1
ASSI { 285}
(( segid " " and resid 11 and name HA2 ))
(( segid " " and resid 11 and name HN ))
2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.23884E-02 ppm1 4.288 ppm2 8.138 CV 1
ASSI { 286}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 11 and name HN ))
2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.33938E-02 ppm1 3.162 ppm2 8.138 CV 1
ASSI { 287}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 11 and name HA2 ))
2.400 0.700 0.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.21060E-02 ppm1 3.162 ppm2 4.288 CV 1
ASSI { 289}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
3.100 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.26095E-02 ppm1 2.234 ppm2 3.600 CV 1
ASSI { 292}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.23522E-02 ppm1 2.543 ppm2 3.600 CV 1
ASSI { 294}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 41 and name HA ))
2.600 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.41658E-02 ppm1 0.982 ppm2 3.996 CV 1
ASSI { 295}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 41 and name HN ))
2.400 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.10198E-01 ppm1 0.982 ppm2 7.517 CV 1
ASSI { 296}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.600 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.33028E-02 ppm1 3.996 ppm2 7.517 CV 1
ASSI { 297}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.41299E-02 ppm1 1.522 ppm2 7.821 CV 1
OR { 297}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
ASSI { 298}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.18698E-02 ppm1 4.262 ppm2 7.821 CV 1
ASSI { 299}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HA ))
3.500 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.68896E-03 ppm1 1.522 ppm2 4.262 CV 1
OR { 299}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
ASSI { 300}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HD3 ))
2.000 0.500 0.500 peak 300 spectrum 1 weight 0.10000E+01 volume 0.90563E-02 ppm1 3.463 ppm2 3.602 CV 1
ASSI { 301}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HA ))
2.600 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.48247E-02 ppm1 0.801 ppm2 4.544 CV 1
ASSI { 302}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 36 and name HA ))
4.100 2.100 1.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.30850E-03 ppm1 3.246 ppm2 4.544 CV 1
ASSI { 304}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 13 and name HD% )
2.600 0.800 0.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.44718E-02 ppm1 2.003 ppm2 6.459 CV 1
ASSI { 305}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HD% )
2.800 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.60874E-02 ppm1 4.497 ppm2 6.460 CV 1
ASSI { 306}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HN ))
5.600 3.900 0.400 peak 306 spectrum 1 weight 0.10000E+01 volume 0.73360E-04 ppm1 3.078 ppm2 7.128 CV 1
ASSI { 307}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 4.675 ppm2 7.128 CV 1
ASSI { 308}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HA ))
4.100 2.100 1.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.41933E-03 ppm1 3.602 ppm2 4.121 CV 1
ASSI { 309}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HA ))
5.700 4.100 0.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.88965E-04 ppm1 3.463 ppm2 4.121 CV 1
ASSI { 310}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
3.000 1.100 1.100 peak 310 spectrum 1 weight 0.10000E+01 volume 0.20639E-02 ppm1 1.800 ppm2 4.121 CV 1
OR { 310}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HA ))
ASSI { 311}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HA ))
3.800 1.800 1.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 1.629 ppm2 4.121 CV 1
OR { 311}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HA ))
ASSI { 312}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.900 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.35978E-02 ppm1 2.300 ppm2 4.599 CV 1
ASSI { 313}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HA ))
2.600 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.52382E-02 ppm1 2.885 ppm2 4.599 CV 1
ASSI { 314}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.900 1.900 1.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.87723E-03 ppm1 2.885 ppm2 8.885 CV 1
ASSI { 315}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
4.800 2.800 1.200 peak 315 spectrum 1 weight 0.10000E+01 volume 0.42816E-03 ppm1 2.300 ppm2 8.885 CV 1
ASSI { 316}
(( segid " " and resid 7 and name HA1 ))
(( segid " " and resid 8 and name HN ))
3.400 1.400 1.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.47117E-02 ppm1 3.365 ppm2 8.782 CV 1
ASSI { 317}
(( segid " " and resid 7 and name HA2 ))
(( segid " " and resid 8 and name HN ))
2.000 0.500 0.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.14184E-01 ppm1 3.685 ppm2 8.782 CV 1
ASSI { 320}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.21278E-02 ppm1 4.471 ppm2 7.777 CV 1
ASSI { 321}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
4.500 2.600 1.500 peak 321 spectrum 1 weight 0.10000E+01 volume 0.34435E-03 ppm1 2.653 ppm2 7.777 CV 1
ASSI { 322}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
4.400 2.500 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.43257E-03 ppm1 2.489 ppm2 7.777 CV 1
ASSI { 323}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.500 1.500 1.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.14436E-02 ppm1 3.485 ppm2 8.461 CV 1
ASSI { 324}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
4.100 2.100 1.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.28948E-03 ppm1 3.651 ppm2 8.461 CV 1
ASSI { 325}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.000 0.500 0.500 peak 325 spectrum 1 weight 0.10000E+01 volume 0.17606E-01 ppm1 4.324 ppm2 8.461 CV 1
ASSI { 326}
( segid " " and resid 10 and name HZ% )
(( segid " " and resid 10 and name HN ))
6.000 6.000 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.55139E-05 ppm1 7.296 ppm2 8.461 CV 1
ASSI { 327}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HA ))
4.100 2.100 1.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.22852E-03 ppm1 1.199 ppm2 4.076 CV 1
ASSI { 328}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HA ))
3.600 1.600 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.82711E-03 ppm1 1.325 ppm2 4.076 CV 1
ASSI { 329}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
2.200 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.12007E-01 ppm1 4.599 ppm2 8.885 CV 1
ASSI { 330}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HN ))
3.100 1.200 1.200 peak 330 spectrum 1 weight 0.10000E+01 volume 0.16446E-02 ppm1 1.177 ppm2 8.522 CV 1
OR { 330}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 12 and name HN ))
ASSI { 331}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HN ))
4.200 2.200 1.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.66911E-03 ppm1 0.535 ppm2 8.522 CV 1
ASSI { 332}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HB ))
3.300 1.400 1.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.36199E-02 ppm1 0.535 ppm2 1.665 CV 1
ASSI { 333}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HB ))
2.200 0.600 0.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.11397E-01 ppm1 0.445 ppm2 1.665 CV 1
ASSI { 334}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HA ))
2.700 0.900 0.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.40803E-02 ppm1 0.445 ppm2 4.443 CV 1
ASSI { 335}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.29775E-02 ppm1 1.665 ppm2 4.443 CV 1
ASSI { 336}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HA ))
2.300 0.700 0.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.68924E-02 ppm1 0.535 ppm2 4.443 CV 1
ASSI { 337}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 12 and name HB ))
2.300 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.83342E-02 ppm1 1.177 ppm2 1.665 CV 1
OR { 337}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HB ))
ASSI { 338}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HG12))
2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.87588E-02 ppm1 0.445 ppm2 1.177 CV 1
OR { 338}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HG13))
ASSI { 339}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HG13))
2.200 0.600 0.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.98834E-02 ppm1 0.535 ppm2 1.177 CV 1
OR { 339}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HG12))
ASSI { 340}
( segid " " and resid 12 and name HG2%)
( segid " " and resid 12 and name HD1%)
2.100 0.600 0.600 peak 340 spectrum 1 weight 0.10000E+01 volume 0.15144E-01 ppm1 0.445 ppm2 0.535 CV 1
ASSI { 341}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HA ))
3.500 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.11579E-02 ppm1 1.177 ppm2 4.443 CV 1
OR { 341}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 12 and name HA ))
ASSI { 342}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 13 and name HN ))
4.200 2.200 1.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.13647E-02 ppm1 0.535 ppm2 8.487 CV 1
ASSI { 343}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 13 and name HN ))
2.500 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.46317E-02 ppm1 0.441 ppm2 8.487 CV 1
ASSI { 344}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 13 and name HN ))
4.800 2.900 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.75235E-03 ppm1 1.179 ppm2 8.487 CV 1
OR { 344}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 13 and name HN ))
ASSI { 345}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
2.000 0.500 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.15979E-01 ppm1 4.443 ppm2 8.487 CV 1
ASSI { 346}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 13 and name HD% )
2.300 0.700 0.700 peak 346 spectrum 1 weight 0.10000E+01 volume 0.85082E-02 ppm1 2.411 ppm2 6.459 CV 1
ASSI { 347}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
4.000 2.000 2.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.44773E-03 ppm1 2.008 ppm2 9.012 CV 1
ASSI { 348}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
6.000 4.600 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.12155E-03 ppm1 2.416 ppm2 9.012 CV 1
ASSI { 349}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.000 0.500 0.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.13170E-01 ppm1 4.497 ppm2 9.012 CV 1
ASSI { 350}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HD1 ))
3.400 1.500 1.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.11877E-02 ppm1 3.987 ppm2 6.765 CV 1
ASSI { 351}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.100 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.13672E-01 ppm1 3.985 ppm2 7.616 CV 1
ASSI { 352}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.300 1.300 1.300 peak 352 spectrum 1 weight 0.10000E+01 volume 0.98536E-03 ppm1 2.791 ppm2 7.616 CV 1
ASSI { 353}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 5.200 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.66277E-04 ppm1 2.660 ppm2 7.616 CV 1
ASSI { 354}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HN ))
3.300 1.400 1.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.19089E-02 ppm1 1.184 ppm2 7.474 CV 1
ASSI { 355}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.13705E-02 ppm1 2.200 ppm2 7.474 CV 1
ASSI { 356}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
2.500 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.54808E-02 ppm1 4.239 ppm2 7.474 CV 1
ASSI { 357}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
4.100 2.100 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.76562E-03 ppm1 2.234 ppm2 8.314 CV 1
ASSI { 358}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
4.200 2.200 1.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.29720E-03 ppm1 2.543 ppm2 8.314 CV 1
ASSI { 359}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.200 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.83506E-02 ppm1 3.600 ppm2 8.314 CV 1
ASSI { 360}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.600 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.42816E-02 ppm1 3.956 ppm2 7.128 CV 1
ASSI { 361}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
4.800 2.900 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.23826E-03 ppm1 2.428 ppm2 7.128 CV 1
ASSI { 362}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
5.000 3.100 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.26001E-03 ppm1 2.948 ppm2 7.128 CV 1
ASSI { 363}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.000 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.14162E-01 ppm1 4.189 ppm2 7.979 CV 1
ASSI { 364}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
3.700 1.700 1.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.73694E-03 ppm1 2.522 ppm2 8.445 CV 1
ASSI { 365}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
3.800 1.800 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.16349E-02 ppm1 2.387 ppm2 8.445 CV 1
ASSI { 366}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.11824E-01 ppm1 4.175 ppm2 8.445 CV 1
ASSI { 367}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HA ))
5.200 3.300 0.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.79289E-04 ppm1 1.123 ppm2 4.142 CV 1
ASSI { 368}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 24 and name HA ))
3.800 1.800 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.78025E-03 ppm1 1.289 ppm2 4.142 CV 1
ASSI { 369}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HA ))
4.800 2.900 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.14110E-03 ppm1 2.848 ppm2 4.142 CV 1
ASSI { 370}
(( segid " " and resid 24 and name HD3 ))
(( segid " " and resid 24 and name HA ))
6.000 4.500 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.954 ppm2 4.142 CV 1
ASSI { 371}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.500 1.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.84116E-03 ppm1 4.143 ppm2 8.159 CV 1
ASSI { 372}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 25 and name HN ))
2.700 2.700 3.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 1.289 ppm2 8.159 CV 1
ASSI { 373}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
4.000 2.000 2.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.71018E-03 ppm1 0.468 ppm2 8.159 CV 1
OR { 373}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 374}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 26 and name HN ))
3.500 1.600 1.600 peak 374 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 3.561 ppm2 7.540 CV 1
ASSI { 375}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 375 spectrum 1 weight 0.10000E+01 volume 0.15676E-02 ppm1 3.244 ppm2 7.540 CV 1
ASSI { 376}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HA ))
2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 3.065 ppm2 4.640 CV 1
ASSI { 377}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HA ))
3.000 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.27597E-02 ppm1 2.500 ppm2 4.640 CV 1
ASSI { 378}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 28 and name HN ))
4.300 2.400 1.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 2.499 ppm2 8.104 CV 1
ASSI { 379}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.900 1.000 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28149E-02 ppm1 3.065 ppm2 8.104 CV 1
ASSI { 381}
(( segid " " and resid 26 and name HB3 ))
( segid " " and resid 26 and name HD% )
2.600 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.67242E-02 ppm1 3.065 ppm2 6.847 CV 1
ASSI { 382}
(( segid " " and resid 26 and name HB2 ))
( segid " " and resid 26 and name HD% )
2.000 0.500 0.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.18797E-01 ppm1 2.500 ppm2 6.847 CV 1
ASSI { 383}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HD% )
2.100 0.500 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.10675E-01 ppm1 4.641 ppm2 6.849 CV 1
ASSI { 385}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 41 and name HN ))
3.200 3.200 2.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.25496E-02 ppm1 4.241 ppm2 7.517 CV 1
ASSI { 386}
(( segid " " and resid 40 and name HD3 ))
(( segid " " and resid 27 and name HN ))
2.700 2.700 3.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.44663E-02 ppm1 3.848 ppm2 9.578 CV 1
ASSI { 387}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 27 and name HN ))
2.900 2.900 3.100 peak 387 spectrum 1 weight 0.10000E+01 volume 0.42209E-02 ppm1 3.620 ppm2 9.578 CV 1
ASSI { 388}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HG3 ))
1.800 0.400 0.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12558E-01 ppm1 1.641 ppm2 1.745 CV 1
ASSI { 389}
(( segid " " and resid 1 and name HA1 ))
(( segid " " and resid 2 and name HN ))
2.800 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.48826E-02 ppm1 3.464 ppm2 8.590 CV 1
ASSI { 390}
(( segid " " and resid 1 and name HA2 ))
(( segid " " and resid 2 and name HN ))
2.500 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.46234E-02 ppm1 3.571 ppm2 8.590 CV 1
ASSI { 391}
(( segid " " and resid 1 and name HA1 ))
(( segid " " and resid 1 and name HA2 ))
1.700 0.400 0.500 peak 391 spectrum 1 weight 0.10000E+01 volume 0.22202E-01 ppm1 3.462 ppm2 3.571 CV 1
ASSI { 392}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 3 and name HN ))
3.700 1.700 1.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.24374E-02 ppm1 1.017 ppm2 8.239 CV 1
ASSI { 393}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 3 and name HN ))
3.400 1.400 1.400 peak 393 spectrum 1 weight 0.10000E+01 volume 0.22318E-02 ppm1 3.973 ppm2 8.239 CV 1
ASSI { 394}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.100 0.500 0.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.16961E-01 ppm1 4.122 ppm2 8.239 CV 1
ASSI { 395}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.100 0.500 0.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.14455E-01 ppm1 4.544 ppm2 9.195 CV 1
ASSI { 396}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 37 and name HN ))
4.700 2.800 1.300 peak 396 spectrum 1 weight 0.10000E+01 volume 0.30850E-03 ppm1 3.246 ppm2 9.195 CV 1
ASSI { 397}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HN ))
2.500 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.56848E-02 ppm1 0.801 ppm2 9.195 CV 1
ASSI { 398}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.000 0.500 0.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.12820E-01 ppm1 4.805 ppm2 8.403 CV 1
ASSI { 399}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13495E-02 ppm1 4.811 ppm2 9.013 CV 1
ASSI { 400}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 32 and name HN ))
2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.37329E-02 ppm1 4.544 ppm2 7.979 CV 1
ASSI { 401}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.100 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.12652E-01 ppm1 5.288 ppm2 8.478 CV 1
ASSI { 402}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.500 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.27123E-02 ppm1 3.947 ppm2 8.478 CV 1
ASSI { 403}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 403 spectrum 1 weight 0.10000E+01 volume 0.57014E-02 ppm1 3.335 ppm2 8.478 CV 1
ASSI { 404}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.30602E-02 ppm1 1.497 ppm2 7.979 CV 1
OR { 404}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
ASSI { 405}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.62307E-03 ppm1 2.944 ppm2 7.979 CV 1
OR { 405}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 32 and name HN ))
ASSI { 406}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HE3 ))
3.500 1.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.18132E-02 ppm1 3.981 ppm2 7.475 CV 1
ASSI { 407}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HE3 ))
4.000 2.000 2.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.17680E-02 ppm1 2.653 ppm2 7.475 CV 1
ASSI { 408}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HE3 ))
2.400 0.700 0.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.54340E-02 ppm1 2.793 ppm2 7.475 CV 1
ASSI { 409}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 14 and name HE3 ))
3.300 1.400 1.400 peak 409 spectrum 1 weight 0.10000E+01 volume 0.14720E-02 ppm1 2.922 ppm2 7.475 CV 1
ASSI { 410}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 14 and name HE3 ))
3.200 1.300 1.300 peak 410 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 3.081 ppm2 7.475 CV 1
ASSI { 411}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 4 and name HN ))
3.300 1.300 1.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.10622E-02 ppm1 4.443 ppm2 7.474 CV 1
ASSI { 412}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.56876E-02 ppm1 7.778 ppm2 8.782 CV 1
ASSI { 413}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
6.000 4.900 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.56959E-04 ppm1 7.778 ppm2 8.461 CV 1
ASSI { 414}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
1.900 0.500 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.17228E-01 ppm1 4.076 ppm2 8.138 CV 1
ASSI { 415}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.000 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.26323E-02 ppm1 1.719 ppm2 8.138 CV 1
ASSI { 416}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
4.000 2.000 2.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.71131E-03 ppm1 1.559 ppm2 8.138 CV 1
ASSI { 417}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 12 and name HN ))
2.900 1.100 1.100 peak 417 spectrum 1 weight 0.10000E+01 volume 0.61673E-02 ppm1 3.163 ppm2 8.522 CV 1
ASSI { 418}
(( segid " " and resid 11 and name HA2 ))
(( segid " " and resid 12 and name HN ))
2.300 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.43229E-02 ppm1 4.289 ppm2 8.522 CV 1
ASSI { 419}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
3.300 1.300 1.300 peak 419 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 7.128 ppm2 8.314 CV 1
ASSI { 420}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 17 and name HN ))
3.000 3.000 3.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.27024E-02 ppm1 4.121 ppm2 7.128 CV 1
ASSI { 421}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 17 and name HN ))
3.500 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.73971E-03 ppm1 3.602 ppm2 7.128 CV 1
ASSI { 422}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 17 and name HN ))
5.000 3.100 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.25651E-03 ppm1 3.463 ppm2 7.128 CV 1
ASSI { 423}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.200 0.600 0.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.10959E-01 ppm1 8.160 ppm2 8.324 CV 1
ASSI { 424}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
2.900 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 7.540 ppm2 8.159 CV 1
ASSI { 425}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 13 and name HN ))
4.000 2.000 2.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.75923E-03 ppm1 4.245 ppm2 8.487 CV 1
ASSI { 426}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.49956E-02 ppm1 2.881 ppm2 8.532 CV 1
ASSI { 427}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HN ))
2.600 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.39948E-02 ppm1 3.159 ppm2 8.532 CV 1
ASSI { 428}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.300 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.96463E-02 ppm1 4.673 ppm2 8.532 CV 1
ASSI { 429}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
4.500 2.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.46813E-03 ppm1 7.979 ppm2 8.445 CV 1
ASSI { 430}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
4.100 2.100 1.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.26781E-03 ppm1 7.821 ppm2 8.445 CV 1
ASSI { 431}
(( segid " " and resid 35 and name HA1 ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.18857E-02 ppm1 4.110 ppm2 8.213 CV 1
OR { 431}
(( segid " " and resid 35 and name HA2 ))
(( segid " " and resid 35 and name HN ))
ASSI { 432}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
3.600 1.600 1.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.89491E-03 ppm1 4.262 ppm2 8.213 CV 1
ASSI { 433}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
3.200 1.200 1.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.15660E-02 ppm1 3.711 ppm2 7.821 CV 1
ASSI { 434}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HN ))
2.300 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.11138E-01 ppm1 2.742 ppm2 7.821 CV 1
OR { 434}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HN ))
ASSI { 435}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.17430E-02 ppm1 7.821 ppm2 8.214 CV 1
ASSI { 436}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
4.200 2.200 1.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.73474E-03 ppm1 2.501 ppm2 9.578 CV 1
ASSI { 437}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.700 0.900 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.23167E-02 ppm1 3.065 ppm2 9.578 CV 1
ASSI { 438}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
1.900 0.500 0.500 peak 438 spectrum 1 weight 0.10000E+01 volume 0.11653E-01 ppm1 4.641 ppm2 9.578 CV 1
ASSI { 439}
( segid " " and resid 3 and name HB% )
(( segid " " and resid 4 and name HN ))
3.100 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.30630E-02 ppm1 1.170 ppm2 7.474 CV 1
ASSI { 440}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
2.300 0.700 0.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.64403E-02 ppm1 4.246 ppm2 7.474 CV 1
ASSI { 441}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 5 and name HN ))
3.500 1.500 1.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.21005E-02 ppm1 2.200 ppm2 6.927 CV 1
ASSI { 442}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.40775E-02 ppm1 1.184 ppm2 6.927 CV 1
ASSI { 443}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.900 1.100 1.100 peak 443 spectrum 1 weight 0.10000E+01 volume 0.34517E-02 ppm1 3.264 ppm2 8.104 CV 1
ASSI { 444}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 6 and name HN ))
2.900 1.100 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.41106E-02 ppm1 3.394 ppm2 8.104 CV 1
ASSI { 445}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
1.900 0.500 0.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.21229E-01 ppm1 4.642 ppm2 8.104 CV 1
ASSI { 446}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.11290E-02 ppm1 8.271 ppm2 9.013 CV 1
ASSI { 447}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 447 spectrum 1 weight 0.10000E+01 volume 0.17280E-02 ppm1 7.474 ppm2 8.139 CV 1
ASSI { 448}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HN ))
3.600 1.600 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.62335E-03 ppm1 7.778 ppm2 8.104 CV 1
ASSI { 449}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 12 and name HN ))
5.200 3.400 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.61838E-04 ppm1 8.403 ppm2 8.522 CV 1
ASSI { 450}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 37 and name HN ))
2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.30547E-02 ppm1 8.479 ppm2 9.195 CV 1
ASSI { 451}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 37 and name HN ))
3.300 1.300 1.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 4.190 ppm2 9.195 CV 1
ASSI { 452}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 41 and name HN ))
4.100 2.100 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.15673E-02 ppm1 4.436 ppm2 7.517 CV 1
ASSI { 453}
(( segid " " and resid 39 and name HB ))
(( segid " " and resid 41 and name HN ))
4.000 2.000 2.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.82817E-03 ppm1 3.717 ppm2 7.517 CV 1
ASSI { 454}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 41 and name HN ))
5.000 3.100 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.43781E-03 ppm1 0.311 ppm2 7.517 CV 1
ASSI { 455}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
2.300 0.700 0.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.77556E-02 ppm1 3.998 ppm2 7.898 CV 1
ASSI { 456}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 42 and name HN ))
3.400 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.28645E-02 ppm1 0.982 ppm2 7.899 CV 1
ASSI { 457}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 29 and name HA ))
3.300 1.300 1.300 peak 457 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 4.343 ppm2 5.288 CV 1
ASSI { 458}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.200 0.600 0.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.12211E-01 ppm1 4.219 ppm2 8.545 CV 1
ASSI { 459}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.800 2.800 3.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.68979E-02 ppm1 3.465 ppm2 8.545 CV 1
OR { 459}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 460}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
4.600 2.600 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.27305E-03 ppm1 6.917 ppm2 8.546 CV 1
ASSI { 461}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.11190E-02 ppm1 3.467 ppm2 6.917 CV 1
ASSI { 462}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 19 and name HN ))
3.400 1.400 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.25259E-02 ppm1 3.602 ppm2 6.917 CV 1
ASSI { 463}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 4.125 ppm2 6.917 CV 1
ASSI { 464}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.32063E-02 ppm1 4.371 ppm2 8.324 CV 1
ASSI { 465}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
4.400 2.500 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.30933E-03 ppm1 2.562 ppm2 8.324 CV 1
ASSI { 466}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.696 ppm2 8.324 CV 1
ASSI { 467}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
4.800 2.900 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.35813E-03 ppm1 7.540 ppm2 9.578 CV 1
ASSI { 468}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 27 and name HN ))
3.500 1.500 1.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.18036E-02 ppm1 6.852 ppm2 9.578 CV 1
ASSI { 469}
(( segid " " and resid 28 and name HA1 ))
(( segid " " and resid 29 and name HN ))
2.400 0.700 0.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.62032E-02 ppm1 3.412 ppm2 7.923 CV 1
ASSI { 470}
(( segid " " and resid 28 and name HA2 ))
(( segid " " and resid 29 and name HN ))
2.900 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.85827E-02 ppm1 4.200 ppm2 7.924 CV 1
ASSI { 471}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 28 and name HN ))
3.800 1.800 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.95256E-03 ppm1 0.923 ppm2 8.104 CV 1
ASSI { 472}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
1.900 0.500 0.500 peak 472 spectrum 1 weight 0.10000E+01 volume 0.12823E-01 ppm1 8.104 ppm2 9.578 CV 1
ASSI { 474}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 39 and name HN ))
3.000 1.200 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.25634E-02 ppm1 5.288 ppm2 8.091 CV 1
ASSI { 475}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.36667E-02 ppm1 2.055 ppm2 7.517 CV 1
ASSI { 476}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 42 and name HN ))
6.000 6.000 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.63796E-04 ppm1 2.243 ppm2 7.898 CV 1
ASSI { 477}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 42 and name HN ))
4.300 2.300 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 2.055 ppm2 7.899 CV 1
ASSI { 478}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
4.000 2.000 2.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.13994E-02 ppm1 2.243 ppm2 7.517 CV 1
ASSI { 479}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HN ))
3.100 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10192E-02 ppm1 7.517 ppm2 7.898 CV 1
ASSI { 480}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 37 and name HN ))
3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.77166E-03 ppm1 7.979 ppm2 9.195 CV 1
ASSI { 481}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.12938E-02 ppm1 3.074 ppm2 8.478 CV 1
ASSI { 482}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 30 and name HN ))
4.800 2.900 1.200 peak 482 spectrum 1 weight 0.10000E+01 volume 0.42209E-03 ppm1 1.886 ppm2 8.479 CV 1
ASSI { 483}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 37 and name HN ))
3.500 1.500 1.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.99473E-03 ppm1 2.387 ppm2 9.195 CV 1
ASSI { 484}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 37 and name HN ))
4.300 2.300 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.71458E-03 ppm1 2.522 ppm2 9.195 CV 1
ASSI { 485}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 14 and name HN ))
2.600 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.47888E-02 ppm1 6.461 ppm2 9.013 CV 1
ASSI { 486}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.22359E-02 ppm1 6.765 ppm2 9.013 CV 1
ASSI { 487}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
4.600 2.600 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.39920E-03 ppm1 7.616 ppm2 9.017 CV 1
ASSI { 488}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HN ))
4.400 2.400 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.41189E-03 ppm1 8.110 ppm2 8.885 CV 1
ASSI { 489}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD21))
2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.33028E-02 ppm1 2.488 ppm2 7.424 CV 1
ASSI { 490}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD21))
3.200 1.300 1.300 peak 490 spectrum 1 weight 0.10000E+01 volume 0.11508E-02 ppm1 2.654 ppm2 7.425 CV 1
ASSI { 491}
(( segid " " and resid 8 and name HD21))
(( segid " " and resid 8 and name HN ))
4.000 2.000 2.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.42953E-03 ppm1 7.424 ppm2 8.782 CV 1
ASSI { 492}
(( segid " " and resid 8 and name HD22))
(( segid " " and resid 8 and name HD21))
1.600 0.300 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.35620E-01 ppm1 6.759 ppm2 7.425 CV 1
ASSI { 493}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
3.200 1.300 1.300 peak 493 spectrum 1 weight 0.10000E+01 volume 0.17302E-02 ppm1 8.239 ppm2 8.590 CV 1
ASSI { 494}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HE1 ))
2.400 0.700 0.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.64568E-02 ppm1 6.769 ppm2 9.315 CV 1
ASSI { 495}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 14 and name HE1 ))
4.100 2.100 1.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.24187E-03 ppm1 0.799 ppm2 9.316 CV 1
ASSI { 496}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 14 and name HE1 ))
4.000 2.000 2.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 1.794 ppm2 9.316 CV 1
ASSI { 497}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 14 and name HE1 ))
2.900 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.22000E-02 ppm1 1.671 ppm2 9.316 CV 1
ASSI { 499}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 12 and name HN ))
4.200 2.200 1.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.47282E-03 ppm1 1.794 ppm2 8.519 CV 1
ASSI { 500}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.94588E-03 ppm1 4.160 ppm2 8.181 CV 1
ASSI { 501}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 3.932 ppm2 8.181 CV 1
ASSI { 502}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HN ))
2.600 0.900 0.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.49267E-02 ppm1 0.904 ppm2 8.181 CV 1
ASSI { 503}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HB ))
3.100 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.17302E-02 ppm1 0.904 ppm2 4.160 CV 1
ASSI { 504}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HA ))
2.900 1.100 1.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.32615E-02 ppm1 0.904 ppm2 3.932 CV 1
ASSI { 505}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB ))
3.400 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.10578E-02 ppm1 3.932 ppm2 4.160 CV 1
ASSI { 506}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.45793E-02 ppm1 3.935 ppm2 8.299 CV 1
ASSI { 507}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 23 and name HN ))
3.700 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10565E-02 ppm1 0.904 ppm2 8.299 CV 1
ASSI { 508}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 23 and name HN ))
3.000 3.000 3.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.39700E-02 ppm1 4.161 ppm2 8.299 CV 1
ASSI { 509}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 30 and name HB3 ))
2.200 2.200 3.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.55056E-02 ppm1 0.311 ppm2 3.164 CV 1
ASSI { 510}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 30 and name HB2 ))
2.900 2.900 3.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.11968E-02 ppm1 0.311 ppm2 2.880 CV 1
ASSI { 511}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 20 and name HA ))
2.600 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.52520E-02 ppm1 2.185 ppm2 3.786 CV 1
ASSI { 512}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 20 and name HA ))
2.500 0.800 0.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.36612E-02 ppm1 2.447 ppm2 3.786 CV 1
ASSI { 513}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HG3 ))
2.000 0.500 0.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.82462E-02 ppm1 0.431 ppm2 0.503 CV 1
ASSI { 514}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HB2 ))
2.500 0.800 0.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.36530E-02 ppm1 0.431 ppm2 1.283 CV 1
ASSI { 515}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB2 ))
2.600 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.89434E-02 ppm1 0.503 ppm2 1.283 CV 1
ASSI { 516}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HB3 ))
1.800 0.400 0.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19373E-01 ppm1 1.184 ppm2 2.200 CV 1
ASSI { 517}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 2 and name HN ))
3.500 1.500 1.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.84308E-03 ppm1 0.444 ppm2 8.590 CV 1
ASSI { 518}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 2 and name HN ))
4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.31843E-03 ppm1 0.535 ppm2 8.590 CV 1
ASSI { 519}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 1 and name HA2 ))
3.600 1.600 1.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.33387E-03 ppm1 0.446 ppm2 3.572 CV 1
ASSI { 520}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 1 and name HA2 ))
4.100 2.100 1.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.14496E-03 ppm1 0.537 ppm2 3.572 CV 1
ASSI { 521}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 1 and name HA1 ))
3.000 3.000 3.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.90790E-03 ppm1 0.444 ppm2 3.465 CV 1
ASSI { 522}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 1 and name HA1 ))
3.400 1.400 1.400 peak 522 spectrum 1 weight 0.10000E+01 volume 0.47530E-03 ppm1 0.537 ppm2 3.465 CV 1
ASSI { 523}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 9 and name HB2 ))
3.400 1.400 1.400 peak 523 spectrum 1 weight 0.10000E+01 volume 0.19803E-02 ppm1 0.311 ppm2 3.486 CV 1
ASSI { 524}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 9 and name HB3 ))
3.600 1.600 1.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.15370E-02 ppm1 0.311 ppm2 3.651 CV 1
ASSI { 525}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HN ))
3.500 1.600 1.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.14124E-02 ppm1 1.130 ppm2 7.821 CV 1
ASSI { 526}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.33414E-03 ppm1 0.696 ppm2 7.821 CV 1
ASSI { 527}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.52961E-03 ppm1 0.571 ppm2 7.821 CV 1
ASSI { 528}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HA ))
6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.130 ppm2 4.262 CV 1
ASSI { 529}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HA ))
6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 4.262 CV 1
ASSI { 530}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HA ))
3.400 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 0.571 ppm2 4.262 CV 1
ASSI { 531}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11397E-01 ppm1 0.571 ppm2 1.522 CV 1
OR { 531}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HB3 ))
ASSI { 532}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HB3 ))
2.200 0.600 0.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.14179E-01 ppm1 0.696 ppm2 1.522 CV 1
OR { 532}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HB2 ))
ASSI { 533}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HB3 ))
2.400 0.700 0.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.55415E-02 ppm1 1.130 ppm2 1.522 CV 1
OR { 533}
(( segid " " and resid 34 and name HG ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 534}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 34 and name HG ))
2.200 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.99771E-02 ppm1 0.696 ppm2 1.127 CV 1
ASSI { 535}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 34 and name HG ))
2.500 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.52630E-02 ppm1 0.571 ppm2 1.129 CV 1
ASSI { 536}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 34 and name HD2%)
2.000 0.500 0.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.24107E-01 ppm1 0.571 ppm2 0.696 CV 1
ASSI { 537}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 38 and name HN ))
3.000 1.200 1.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.18524E-02 ppm1 6.768 ppm2 8.403 CV 1
ASSI { 538}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 13 and name HN ))
3.300 1.300 1.300 peak 538 spectrum 1 weight 0.10000E+01 volume 0.10391E-02 ppm1 6.461 ppm2 8.488 CV 1
ASSI { 539}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 13 and name HN ))
4.500 2.500 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.45214E-03 ppm1 7.474 ppm2 8.488 CV 1
ASSI { 540}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 35 and name HN ))
4.400 2.400 1.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.22908E-03 ppm1 7.979 ppm2 8.216 CV 1
ASSI { 541}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 541 spectrum 1 weight 0.10000E+01 volume 0.20115E-02 ppm1 6.848 ppm2 7.540 CV 1
ASSI { 542}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 28 and name HN ))
4.200 2.200 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.97677E-03 ppm1 6.848 ppm2 8.104 CV 1
ASSI { 543}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 35 and name HN ))
2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.43009E-02 ppm1 6.461 ppm2 8.214 CV 1
ASSI { 544}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 544 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 6.461 ppm2 8.270 CV 1
ASSI { 545}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HA ))
3.600 1.600 1.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.98947E-03 ppm1 2.200 ppm2 4.239 CV 1
ASSI { 546}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HA ))
3.500 1.500 1.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.68952E-03 ppm1 1.184 ppm2 4.239 CV 1
ASSI { 547}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 42 and name HN ))
3.200 3.200 2.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.60736E-03 ppm1 0.535 ppm2 7.900 CV 1
ASSI { 549}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 14 and name HE1 ))
2.900 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.36309E-02 ppm1 0.443 ppm2 9.317 CV 1
ASSI { 550}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 14 and name HD1 ))
3.400 1.400 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.39452E-02 ppm1 1.794 ppm2 6.767 CV 1
ASSI { 551}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 14 and name HD1 ))
3.600 1.600 1.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.78742E-03 ppm1 1.670 ppm2 6.767 CV 1
ASSI { 552}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.900 1.900 1.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.15337E-02 ppm1 0.799 ppm2 8.091 CV 1
ASSI { 553}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
4.400 2.400 1.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.45710E-03 ppm1 1.794 ppm2 8.091 CV 1
ASSI { 554}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 14 and name HD1 ))
3.000 1.200 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.14695E-02 ppm1 0.799 ppm2 6.768 CV 1
ASSI { 555}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 14 and name HD1 ))
3.000 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.22651E-02 ppm1 0.445 ppm2 6.768 CV 1
ASSI { 556}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 15 and name HD% )
2.700 0.900 0.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.33000E-02 ppm1 1.524 ppm2 6.717 CV 1
OR { 556}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 15 and name HD% )
ASSI { 557}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 13 and name HD% )
3.700 1.700 1.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.11381E-02 ppm1 1.524 ppm2 6.461 CV 1
OR { 557}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 13 and name HD% )
ASSI { 558}
( segid " " and resid 2 and name HG2%)
( segid " " and resid 13 and name HD% )
3.400 1.400 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.26670E-02 ppm1 1.017 ppm2 6.460 CV 1
ASSI { 559}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 32 and name HD% )
3.400 1.400 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.12558E-02 ppm1 1.524 ppm2 6.517 CV 1
OR { 559}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 32 and name HD% )
ASSI { 560}
( segid " " and resid 34 and name HD2%)
( segid " " and resid 13 and name HD% )
3.800 1.800 1.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.98784E-03 ppm1 0.696 ppm2 6.461 CV 1
ASSI { 561}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 13 and name HD% )
4.600 2.700 1.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.38046E-03 ppm1 0.573 ppm2 6.461 CV 1
ASSI { 562}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 32 and name HD% )
3.700 1.700 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 0.573 ppm2 6.517 CV 1
ASSI { 563}
( segid " " and resid 34 and name HD2%)
( segid " " and resid 32 and name HD% )
3.100 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16376E-02 ppm1 0.698 ppm2 6.517 CV 1
ASSI { 564}
( segid " " and resid 34 and name HD2%)
(( segid " " and resid 31 and name HE ))
3.900 3.900 2.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.95476E-03 ppm1 0.696 ppm2 6.898 CV 1
ASSI { 565}
( segid " " and resid 34 and name HD1%)
(( segid " " and resid 31 and name HE ))
3.800 3.800 2.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.86182E-03 ppm1 0.573 ppm2 6.898 CV 1
ASSI { 566}
(( segid " " and resid 2 and name HB ))
( segid " " and resid 13 and name HD% )
3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18563E-02 ppm1 3.974 ppm2 6.460 CV 1
ASSI { 567}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 13 and name HD% )
3.100 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.23351E-02 ppm1 4.123 ppm2 6.460 CV 1
ASSI { 568}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 28 and name HN ))
2.700 2.700 3.300 peak 568 spectrum 1 weight 0.10000E+01 volume 0.18216E-02 ppm1 3.621 ppm2 8.104 CV 1
ASSI { 569}
(( segid " " and resid 40 and name HD3 ))
(( segid " " and resid 28 and name HN ))
3.500 3.500 2.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.40307E-03 ppm1 3.848 ppm2 8.104 CV 1
ASSI { 570}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 29 and name HA ))
3.900 1.900 1.900 peak 570 spectrum 1 weight 0.10000E+01 volume 0.19577E-03 ppm1 0.311 ppm2 5.290 CV 1
ASSI { 572}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 20 and name HN ))
3.100 3.100 2.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.17658E-02 ppm1 0.789 ppm2 8.544 CV 1
ASSI { 575}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 13 and name HN ))
4.300 2.300 1.700 peak 575 spectrum 1 weight 0.10000E+01 volume 0.55883E-03 ppm1 1.012 ppm2 8.485 CV 1
ASSI { 576}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 38 and name HN ))
4.200 2.200 1.800 peak 576 spectrum 1 weight 0.10000E+01 volume 0.60901E-03 ppm1 0.441 ppm2 8.403 CV 1
ASSI { 577}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.82491E-03 ppm1 1.378 ppm2 7.980 CV 1
OR { 577}
(( segid " " and resid 31 and name HG3 ))
(( segid " " and resid 32 and name HN ))
ASSI { 578}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.600 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.63134E-03 ppm1 1.519 ppm2 8.214 CV 1
OR { 578}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
ASSI { 582}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 14 and name HE3 ))
3.300 1.400 1.400 peak 582 spectrum 1 weight 0.10000E+01 volume 0.16952E-02 ppm1 1.513 ppm2 7.475 CV 1
OR { 582}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 14 and name HE3 ))
ASSI { 583}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.600 1.600 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.79928E-03 ppm1 0.471 ppm2 7.538 CV 1
OR { 583}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 26 and name HN ))
ASSI { 584}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 4 and name HN ))
4.900 3.000 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.44883E-03 ppm1 0.442 ppm2 7.471 CV 1
ASSI { 585}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 14 and name HE3 ))
3.300 3.300 2.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.58061E-03 ppm1 0.512 ppm2 7.478 CV 1
ASSI { 586}
( segid " " and resid 2 and name HG2%)
( segid " " and resid 15 and name HE% )
3.300 1.400 1.400 peak 586 spectrum 1 weight 0.10000E+01 volume 0.12608E-02 ppm1 1.017 ppm2 6.881 CV 1
ASSI { 590}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 26 and name HD% )
3.500 1.500 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16175E-02 ppm1 0.801 ppm2 6.846 CV 1
ASSI { 592}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 32 and name HN ))
4.900 3.000 1.100 peak 592 spectrum 1 weight 0.10000E+01 volume 0.41216E-03 ppm1 0.792 ppm2 7.980 CV 1
ASSI { 594}
(( segid " " and resid 7 and name HA1 ))
(( segid " " and resid 9 and name HN ))
4.700 2.800 1.300 peak 594 spectrum 1 weight 0.10000E+01 volume 0.61645E-03 ppm1 3.372 ppm2 7.779 CV 1
ASSI { 595}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 35 and name HN ))
4.300 2.400 1.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.62638E-03 ppm1 2.736 ppm2 8.214 CV 1
OR { 595}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 35 and name HN ))
ASSI { 596}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 41 and name HN ))
4.200 2.200 1.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.80836E-03 ppm1 3.166 ppm2 7.517 CV 1
ASSI { 597}
(( segid " " and resid 40 and name HD3 ))
( segid " " and resid 26 and name HD% )
2.800 1.000 1.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.15381E-02 ppm1 3.851 ppm2 6.848 CV 1
ASSI { 601}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 15 and name HN ))
3.100 1.200 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16382E-02 ppm1 6.717 ppm2 7.616 CV 1
ASSI { 602}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 15 and name HN ))
4.300 2.300 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.33194E-03 ppm1 6.461 ppm2 7.616 CV 1
ASSI { 603}
(( segid " " and resid 37 and name HB3 ))
( segid " " and resid 32 and name HD% )
4.200 2.200 1.800 peak 603 spectrum 1 weight 0.10000E+01 volume 0.73005E-03 ppm1 3.076 ppm2 6.517 CV 1
ASSI { 604}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 16 and name HE% )
4.800 2.800 1.200 peak 604 spectrum 1 weight 0.10000E+01 volume 0.51004E-03 ppm1 2.947 ppm2 6.519 CV 1
ASSI { 605}
( segid " " and resid 34 and name HD2%)
( segid " " and resid 15 and name HD% )
4.100 2.100 1.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.94673E-03 ppm1 0.692 ppm2 6.718 CV 1
ASSI { 606}
( segid " " and resid 34 and name HD1%)
( segid " " and resid 15 and name HD% )
4.600 2.700 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.33607E-03 ppm1 0.572 ppm2 6.718 CV 1
ASSI { 607}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.36143E-02 ppm1 1.765 ppm2 6.919 CV 1
ASSI { 608}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.400 1.400 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.22061E-02 ppm1 1.586 ppm2 6.919 CV 1
ASSI { 610}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HD1 ))
3.500 1.500 1.500 peak 610 spectrum 1 weight 0.10000E+01 volume 0.84336E-03 ppm1 4.496 ppm2 6.766 CV 1
ASSI { 611}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 14 and name HD1 ))
4.700 2.800 1.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.48578E-03 ppm1 4.806 ppm2 6.766 CV 1
ASSI { 612}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 13 and name HD% )
4.100 2.100 1.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 4.806 ppm2 6.461 CV 1
ASSI { 613}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HN ))
3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.84251E-03 ppm1 7.546 ppm2 8.327 CV 1
ASSI { 616}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 16 and name HD% )
2.700 0.900 0.900 peak 616 spectrum 1 weight 0.10000E+01 volume 0.38487E-02 ppm1 2.948 ppm2 6.738 CV 1
ASSI { 617}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 16 and name HD% )
2.700 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.42347E-02 ppm1 2.428 ppm2 6.738 CV 1
ASSI { 618}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HD% )
2.700 0.900 0.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.52327E-02 ppm1 3.956 ppm2 6.738 CV 1
ASSI { 619}
( segid " " and resid 16 and name HE% )
( segid " " and resid 16 and name HD% )
2.000 0.500 0.500 peak 619 spectrum 1 weight 0.10000E+01 volume 0.22350E-01 ppm1 6.526 ppm2 6.739 CV 1
ASSI { 620}
( segid " " and resid 34 and name HD2%)
( segid " " and resid 15 and name HE% )
2.700 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.16740E-02 ppm1 0.696 ppm2 6.882 CV 1
ASSI { 621}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 15 and name HE% )
2.900 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.24534E-02 ppm1 1.522 ppm2 6.882 CV 1
OR { 621}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 15 and name HE% )
ASSI { 622}
( segid " " and resid 15 and name HD% )
( segid " " and resid 15 and name HE% )
2.100 0.500 0.500 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16368E-01 ppm1 6.719 ppm2 6.883 CV 1
ASSI { 623}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HE% )
4.300 2.300 1.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.60212E-03 ppm1 3.601 ppm2 6.882 CV 1
ASSI { 625}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 26 and name HD% )
3.900 1.900 1.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.59357E-03 ppm1 4.429 ppm2 6.850 CV 1
ASSI { 626}
(( segid " " and resid 37 and name HB2 ))
( segid " " and resid 32 and name HD% )
3.000 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.16815E-02 ppm1 1.886 ppm2 6.517 CV 1
ASSI { 632}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 27 and name HA ))
3.800 1.800 1.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.59219E-03 ppm1 0.923 ppm2 4.310 CV 1
ASSI { 633}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 27 and name HB ))
3.400 1.500 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.81880E-03 ppm1 0.923 ppm2 4.241 CV 1
ASSI { 634}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 37 and name HA ))
1.900 0.500 0.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.12296E-01 ppm1 4.497 ppm2 4.806 CV 1
ASSI { 635}
(( segid " " and resid 11 and name HA2 ))
(( segid " " and resid 39 and name HA ))
3.300 1.400 1.400 peak 635 spectrum 1 weight 0.10000E+01 volume 0.33084E-03 ppm1 4.289 ppm2 4.437 CV 1
ASSI { 636}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 39 and name HA ))
4.200 2.200 1.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.17782E-02 ppm1 3.164 ppm2 4.437 CV 1
ASSI { 638}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
3.800 1.800 1.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 1.775 ppm2 8.182 CV 1
ASSI { 639}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
3.700 1.700 1.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.94098E-03 ppm1 1.284 ppm2 8.182 CV 1
ASSI { 640}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.100 0.600 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.13881E-01 ppm1 4.054 ppm2 8.182 CV 1
ASSI { 641}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.000 0.500 0.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.15453E-01 ppm1 4.344 ppm2 8.090 CV 1
ASSI { 642}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 25 and name HN ))
3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13376E-02 ppm1 4.370 ppm2 8.162 CV 1
ASSI { 643}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 38 and name HN ))
3.000 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 4.493 ppm2 8.401 CV 1
ASSI { 644}
( segid " " and resid 26 and name HE% )
( segid " " and resid 26 and name HD% )
2.300 0.700 0.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.77826E-02 ppm1 6.404 ppm2 6.850 CV 1
ASSI { 645}
(( segid " " and resid 24 and name HD2 ))
( segid " " and resid 26 and name HE% )
3.900 1.900 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.81603E-03 ppm1 2.848 ppm2 6.405 CV 1
ASSI { 646}
(( segid " " and resid 24 and name HD3 ))
( segid " " and resid 26 and name HE% )
3.900 1.900 1.900 peak 646 spectrum 1 weight 0.10000E+01 volume 0.68262E-03 ppm1 2.959 ppm2 6.405 CV 1
ASSI { 648}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 26 and name HE% )
3.800 1.800 1.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.49873E-03 ppm1 1.674 ppm2 6.405 CV 1
ASSI { 649}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 26 and name HE% )
3.100 1.200 1.200 peak 649 spectrum 1 weight 0.10000E+01 volume 0.18135E-02 ppm1 0.441 ppm2 6.405 CV 1
ASSI { 650}
( segid " " and resid 33 and name HD% )
( segid " " and resid 33 and name HE% )
2.100 0.500 0.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.19974E-01 ppm1 6.489 ppm2 6.903 CV 1
ASSI { 651}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 33 and name HE% )
4.700 2.800 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.60046E-03 ppm1 2.742 ppm2 6.903 CV 1
OR { 651}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 33 and name HE% )
ASSI { 652}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.60764E-02 ppm1 4.239 ppm2 6.927 CV 1
ASSI { 653}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HE% )
4.500 2.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.50921E-03 ppm1 4.175 ppm2 6.432 CV 1
ASSI { 654}
( segid " " and resid 32 and name HE% )
( segid " " and resid 32 and name HD% )
2.300 0.700 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.88440E-02 ppm1 6.432 ppm2 6.517 CV 1
ASSI { 655}
(( segid " " and resid 37 and name HB3 ))
( segid " " and resid 32 and name HE% )
3.600 3.600 2.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.34048E-03 ppm1 3.076 ppm2 6.433 CV 1
ASSI { 656}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 32 and name HD% )
3.400 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 2.742 ppm2 6.517 CV 1
OR { 656}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 32 and name HD% )
ASSI { 657}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 32 and name HE% )
3.900 1.900 1.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.64320E-03 ppm1 2.741 ppm2 6.433 CV 1
OR { 657}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 32 and name HE% )
ASSI { 658}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 32 and name HE% )
4.300 2.300 1.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.10286E-02 ppm1 2.522 ppm2 6.433 CV 1
ASSI { 659}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 32 and name HE% )
3.500 1.500 1.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.26566E-02 ppm1 2.397 ppm2 6.433 CV 1
ASSI { 662}
( segid " " and resid 33 and name HD% )
(( segid " " and resid 33 and name HN ))
3.300 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 6.495 ppm2 8.448 CV 1
ASSI { 664}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 14 and name HE3 ))
2.400 0.700 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.65699E-02 ppm1 6.947 ppm2 7.476 CV 1
ASSI { 665}
(( segid " " and resid 21 and name HD3 ))
( segid " " and resid 26 and name HD% )
3.700 1.700 1.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.22822E-02 ppm1 2.448 ppm2 6.847 CV 1
ASSI { 666}
(( segid " " and resid 21 and name HD2 ))
( segid " " and resid 26 and name HD% )
4.100 2.100 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.48192E-03 ppm1 2.186 ppm2 6.847 CV 1
ASSI { 669}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 16 and name HD% )
3.700 1.700 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.20771E-02 ppm1 2.235 ppm2 6.739 CV 1
ASSI { 670}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 16 and name HD% )
3.000 1.100 1.100 peak 670 spectrum 1 weight 0.10000E+01 volume 0.14177E-02 ppm1 2.544 ppm2 6.739 CV 1
ASSI { 671}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 16 and name HD% )
2.700 2.700 3.300 peak 671 spectrum 1 weight 0.10000E+01 volume 0.16619E-02 ppm1 1.524 ppm2 6.740 CV 1
OR { 671}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 16 and name HD% )
ASSI { 672}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 16 and name HD% )
3.700 1.700 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 3.600 ppm2 6.739 CV 1
ASSI { 673}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 37 and name HN ))
4.400 2.500 1.600 peak 673 spectrum 1 weight 0.10000E+01 volume 0.31154E-03 ppm1 5.296 ppm2 9.198 CV 1
ASSI { 674}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 37 and name HN ))
5.000 3.100 1.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.26329E-03 ppm1 6.527 ppm2 9.198 CV 1
ASSI { 675}
( segid " " and resid 32 and name HD% )
(( segid " " and resid 32 and name HN ))
4.900 3.000 1.100 peak 675 spectrum 1 weight 0.10000E+01 volume 0.29223E-03 ppm1 6.527 ppm2 7.978 CV 1
ASSI { 676}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 37 and name HN ))
5.200 3.300 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.19894E-03 ppm1 6.772 ppm2 9.196 CV 1
ASSI { 677}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 37 and name HN ))
5.600 3.900 0.400 peak 677 spectrum 1 weight 0.10000E+01 volume 0.10769E-03 ppm1 6.455 ppm2 9.196 CV 1
ASSI { 678}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 32 and name HD% )
3.400 1.500 1.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.88937E-03 ppm1 1.175 ppm2 6.516 CV 1
ASSI { 680}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 12 and name HN ))
3.600 1.600 1.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.96356E-03 ppm1 0.311 ppm2 8.522 CV 1
ASSI { 681}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 10 and name HN ))
4.400 2.400 1.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.59606E-03 ppm1 0.311 ppm2 8.464 CV 1
ASSI { 682}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 38 and name HN ))
4.100 2.100 1.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.28369E-03 ppm1 0.311 ppm2 8.404 CV 1
ASSI { 683}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 29 and name HN ))
4.600 2.700 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.73474E-04 ppm1 0.309 ppm2 7.919 CV 1
ASSI { 684}
( segid " " and resid 39 and name HG2%)
(( segid " " and resid 9 and name HN ))
4.200 2.300 1.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.12106E-03 ppm1 0.312 ppm2 7.782 CV 1
ASSI { 686}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 41 and name HN ))
5.000 3.100 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.17570E-03 ppm1 1.563 ppm2 7.517 CV 1
ASSI { 687}
(( segid " " and resid 24 and name HG3 ))
(( segid " " and resid 26 and name HN ))
5.000 3.100 1.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.19340E-03 ppm1 1.290 ppm2 7.539 CV 1
ASSI { 691}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 14 and name HE3 ))
5.000 3.100 1.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.21050E-03 ppm1 1.764 ppm2 7.472 CV 1
ASSI { 692}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 9 and name HN ))
4.400 2.400 1.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.30244E-03 ppm1 2.298 ppm2 7.772 CV 1
ASSI { 694}
(( segid " " and resid 24 and name HE ))
(( segid " " and resid 14 and name HE1 ))
2.900 2.900 3.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.36861E-02 ppm1 7.389 ppm2 9.317 CV 1
ASSI { 697}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 17 and name HN ))
5.000 3.100 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.11858E-03 ppm1 3.246 ppm2 7.124 CV 1
ASSI { 698}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 14 and name HE1 ))
4.900 3.100 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.21107E-03 ppm1 2.446 ppm2 9.318 CV 1
ASSI { 699}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 14 and name HE1 ))
5.800 4.100 0.200 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10565E-03 ppm1 1.174 ppm2 9.316 CV 1
OR { 699}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 14 and name HE1 ))
Contact the webmaster for help, if required. Saturday, May 11, 2024 10:58:29 PM GMT (wattos1)