NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8897 |
1n0z   |
5667 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI { 2}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
3.200 1.300 1.300 peak 2 spectrum 1 weight 0.10000E+01 volume 0.13496E-02 ppm1 4.083 ppm2 9.282 CV 1
ASSI { 3}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.434 ppm2 9.282 CV 1
ASSI { 4}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.83221E-02 ppm1 3.105 ppm2 9.282 CV 1
ASSI { 5}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB2 ))
3.100 1.200 1.200 peak 5 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 4.074 ppm2 3.430 CV 1
ASSI { 6}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB3 ))
2.500 0.800 0.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.53911E-02 ppm1 4.078 ppm2 3.118 CV 1
ASSI { 7}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HB3 ))
2.100 0.500 0.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.18606E-01 ppm1 3.425 ppm2 3.114 CV 1
ASSI { 8}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.52101E-02 ppm1 4.077 ppm2 8.939 CV 1
ASSI { 12}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.100 0.600 0.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.14417E-01 ppm1 4.074 ppm2 1.892 CV 1
OR { 12}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
ASSI { 13}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
2.800 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.27906E-02 ppm1 4.074 ppm2 1.571 CV 1
OR { 13}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 14}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.318 ppm2 8.807 CV 1
ASSI { 15}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.099 ppm2 8.808 CV 1
ASSI { 17}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.84556E-02 ppm1 5.173 ppm2 8.807 CV 1
ASSI { 18}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
2.000 0.500 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.21470E-01 ppm1 3.319 ppm2 3.108 CV 1
ASSI { 20}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
2.200 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.14211E-01 ppm1 5.174 ppm2 3.320 CV 1
ASSI { 22}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.700 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.34085E-02 ppm1 4.518 ppm2 8.779 CV 1
ASSI { 26}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.537 ppm2 8.781 CV 1
ASSI { 28}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.31075E-02 ppm1 0.254 ppm2 8.779 CV 1
ASSI { 31}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.400 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.75390E-02 ppm1 4.520 ppm2 1.543 CV 1
ASSI { 32}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
3.600 1.600 1.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.66722E-03 ppm1 4.518 ppm2 0.254 CV 1
ASSI { 33}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
1.800 0.400 0.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.39743E-01 ppm1 1.539 ppm2 0.253 CV 1
ASSI { 34}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.70931E-02 ppm1 4.253 ppm2 8.783 CV 1
ASSI { 35}
(( segid " " and resid 16 and name HB ))
(( segid " " and resid 16 and name HN ))
2.700 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.37774E-02 ppm1 1.636 ppm2 8.782 CV 1
ASSI { 38}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB ))
6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 1.637 CV 1
ASSI { 39}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HD1%)
6.000 4.500 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.245 ppm2 0.801 CV 1
ASSI { 40}
(( segid " " and resid 16 and name HB ))
( segid " " and resid 16 and name HD1%)
6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.633 ppm2 0.800 CV 1
ASSI { 41}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.29830E-02 ppm1 0.802 ppm2 8.782 CV 1
ASSI { 42}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.50765E-02 ppm1 4.358 ppm2 8.909 CV 1
ASSI { 43}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HN ))
3.300 1.400 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.10355E-02 ppm1 2.407 ppm2 8.908 CV 1
ASSI { 44}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.400 1.500 1.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.85620E-03 ppm1 2.078 ppm2 8.907 CV 1
ASSI { 45}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
2.600 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.44519E-02 ppm1 1.990 ppm2 8.908 CV 1
ASSI { 46}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG2 ))
4.400 2.400 1.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.20030E-03 ppm1 4.358 ppm2 2.408 CV 1
ASSI { 47}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
2.600 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.50811E-02 ppm1 4.356 ppm2 2.076 CV 1
ASSI { 48}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB3 ))
2.600 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.46941E-02 ppm1 4.361 ppm2 1.991 CV 1
ASSI { 50}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.19781E-02 ppm1 4.514 ppm2 8.581 CV 1
ASSI { 51}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16273E-02 ppm1 3.895 ppm2 8.581 CV 1
ASSI { 53}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.700 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.37910E-02 ppm1 5.234 ppm2 7.862 CV 1
ASSI { 54}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.804 ppm2 7.862 CV 1
ASSI { 55}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.624 ppm2 7.862 CV 1
ASSI { 56}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB3 ))
2.700 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.39879E-02 ppm1 5.234 ppm2 3.804 CV 1
ASSI { 57}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB2 ))
2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.53889E-02 ppm1 5.234 ppm2 3.623 CV 1
ASSI { 58}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.39562E-02 ppm1 5.026 ppm2 8.171 CV 1
ASSI { 59}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.20614E-02 ppm1 3.266 ppm2 8.170 CV 1
ASSI { 60}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.37186E-02 ppm1 2.864 ppm2 8.170 CV 1
ASSI { 61}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
2.200 0.600 0.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.14060E-01 ppm1 5.025 ppm2 3.266 CV 1
ASSI { 62}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.12170E-01 ppm1 5.026 ppm2 2.863 CV 1
ASSI { 63}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
3.000 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.19390E-02 ppm1 4.378 ppm2 8.435 CV 1
ASSI { 66}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.706 ppm2 8.436 CV 1
ASSI { 67}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.538 ppm2 8.435 CV 1
ASSI { 69}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 9 and name HB3 ))
3.000 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.20854E-02 ppm1 3.168 ppm2 1.709 CV 1
OR { 69}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HB3 ))
ASSI { 70}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 9 and name HG3 ))
2.600 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.44745E-02 ppm1 3.173 ppm2 1.538 CV 1
OR { 70}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HG3 ))
ASSI { 72}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB3 ))
2.800 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.32591E-02 ppm1 4.380 ppm2 1.709 CV 1
ASSI { 73}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG3 ))
6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.378 ppm2 1.538 CV 1
ASSI { 74}
(( segid " " and resid 26 and name HD21))
(( segid " " and resid 26 and name HD22))
1.800 0.400 0.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.36303E-01 ppm1 4.283 ppm2 6.801 CV 1
ASSI { 75}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.900 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.21752E-02 ppm1 4.261 ppm2 7.524 CV 1
ASSI { 76}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
2.300 0.600 0.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.10171E-01 ppm1 1.955 ppm2 7.524 CV 1
OR { 76}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 77}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HN ))
2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.60588E-02 ppm1 1.637 ppm2 7.524 CV 1
OR { 77}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 78}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HG3 ))
2.100 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.15386E-01 ppm1 1.958 ppm2 1.635 CV 1
OR { 78}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HG2 ))
OR { 78}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 79}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
2.100 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.15866E-01 ppm1 4.261 ppm2 1.959 CV 1
OR { 79}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB3 ))
ASSI { 80}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG2 ))
6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.261 ppm2 1.635 CV 1
OR { 80}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG3 ))
ASSI { 81}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.402 ppm2 8.954 CV 1
ASSI { 82}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.64956E-02 ppm1 1.757 ppm2 8.954 CV 1
OR { 82}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
ASSI { 83}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.517 ppm2 8.954 CV 1
ASSI { 85}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB3 ))
6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.403 ppm2 1.769 CV 1
OR { 85}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 86}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG2 ))
2.600 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.45899E-02 ppm1 4.403 ppm2 1.569 CV 1
ASSI { 87}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
2.200 0.600 0.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.11074E-01 ppm1 4.353 ppm2 8.133 CV 1
ASSI { 88}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 42 and name HN ))
6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.184 ppm2 8.134 CV 1
ASSI { 89}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HG2%)
6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.338 ppm2 1.200 CV 1
ASSI { 96}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 37 and name HN ))
2.200 0.600 0.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.12305E-01 ppm1 3.924 ppm2 7.954 CV 1
ASSI { 97}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.600 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.41373E-02 ppm1 4.407 ppm2 8.557 CV 1
ASSI { 98}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.13960E-01 ppm1 2.605 ppm2 8.557 CV 1
ASSI { 102}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 42 and name HG2%)
6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.352 ppm2 1.182 CV 1
ASSI { 103}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.59909E-02 ppm1 4.242 ppm2 8.315 CV 1
ASSI { 104}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.200 0.600 0.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.13378E-01 ppm1 2.490 ppm2 8.315 CV 1
ASSI { 105}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB3 ))
2.400 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.74326E-02 ppm1 4.243 ppm2 2.490 CV 1
ASSI { 106}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.521 ppm2 8.402 CV 1
ASSI { 109}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB3 ))
2.800 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.31482E-02 ppm1 4.519 ppm2 3.928 CV 1
ASSI { 110}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.263 ppm2 8.260 CV 1
ASSI { 111}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.704 ppm2 8.260 CV 1
ASSI { 116}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.700 0.900 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.36348E-02 ppm1 4.133 ppm2 8.294 CV 1
ASSI { 117}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HN ))
2.500 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.52780E-02 ppm1 2.100 ppm2 8.291 CV 1
ASSI { 118}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 10 and name HN ))
2.400 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.68917E-02 ppm1 0.982 ppm2 8.295 CV 1
ASSI { 119}
(( segid " " and resid 10 and name HB ))
( segid " " and resid 10 and name HG1%)
2.000 0.500 0.500 peak 119 spectrum 1 weight 0.10000E+01 volume 0.24013E-01 ppm1 2.110 ppm2 0.981 CV 1
OR { 119}
(( segid " " and resid 10 and name HB ))
( segid " " and resid 10 and name HG2%)
ASSI { 120}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB ))
2.700 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.34266E-02 ppm1 4.134 ppm2 2.109 CV 1
ASSI { 121}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HG1%)
2.500 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.56559E-02 ppm1 4.134 ppm2 0.983 CV 1
OR { 121}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HG2%)
ASSI { 122}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.400 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.73851E-02 ppm1 4.404 ppm2 7.936 CV 1
ASSI { 123}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.398 ppm2 7.936 CV 1
ASSI { 124}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.616 ppm2 7.936 CV 1
ASSI { 125}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HB2 ))
1.800 0.400 0.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.35986E-01 ppm1 3.396 ppm2 2.617 CV 1
ASSI { 126}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.48004E-02 ppm1 4.405 ppm2 3.398 CV 1
ASSI { 127}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
2.100 0.500 0.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.18337E-01 ppm1 4.405 ppm2 2.615 CV 1
OR { 127}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
OR { 127}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 128}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 37 and name HN ))
2.500 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.61516E-02 ppm1 4.308 ppm2 7.954 CV 1
ASSI { 129}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.590 ppm2 8.086 CV 1
ASSI { 130}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.37638E-02 ppm1 3.091 ppm2 8.086 CV 1
ASSI { 131}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.37435E-02 ppm1 3.025 ppm2 8.087 CV 1
ASSI { 132}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
3.100 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.16882E-02 ppm1 4.590 ppm2 3.089 CV 1
ASSI { 133}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
2.500 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.57397E-02 ppm1 4.593 ppm2 3.024 CV 1
ASSI { 139}
(( segid " " and resid 35 and name HD3 ))
(( segid " " and resid 35 and name HB3 ))
6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.345 ppm2 1.768 CV 1
OR { 139}
(( segid " " and resid 35 and name HD3 ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 140}
(( segid " " and resid 35 and name HD3 ))
(( segid " " and resid 35 and name HG2 ))
2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.63281E-02 ppm1 3.347 ppm2 1.569 CV 1
ASSI { 141}
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 35 and name HB2 ))
6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.260 ppm2 1.768 CV 1
OR { 141}
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 35 and name HB3 ))
ASSI { 142}
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 35 and name HG2 ))
2.600 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.48095E-02 ppm1 3.259 ppm2 1.569 CV 1
ASSI { 144}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.679 ppm2 8.367 CV 1
ASSI { 146}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB2 ))
2.600 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.49294E-02 ppm1 4.683 ppm2 2.495 CV 1
ASSI { 147}
(( segid " " and resid 13 and name HA2 ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.143 ppm2 8.390 CV 1
ASSI { 150}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HB2 ))
3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 4.148 ppm2 2.365 CV 1
ASSI { 153}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.787 ppm2 8.343 CV 1
ASSI { 154}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.686 ppm2 8.343 CV 1
ASSI { 157}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HE ))
2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.34990E-02 ppm1 3.353 ppm2 7.642 CV 1
ASSI { 158}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HE ))
3.000 1.100 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.19073E-02 ppm1 2.102 ppm2 7.641 CV 1
ASSI { 159}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HE ))
6.000 4.500 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.891 ppm2 7.640 CV 1
ASSI { 163}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.576 ppm2 7.977 CV 1
ASSI { 164}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.397 ppm2 7.903 CV 1
ASSI { 165}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.85643E-02 ppm1 0.954 ppm2 7.903 CV 1
ASSI { 167}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 40 and name HN ))
3.700 1.700 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.57148E-03 ppm1 -0.132 ppm2 7.903 CV 1
ASSI { 168}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
3.900 1.900 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.43568E-03 ppm1 3.400 ppm2 0.953 CV 1
ASSI { 169}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
2.700 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.37367E-02 ppm1 3.393 ppm2 0.491 CV 1
ASSI { 170}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG3 ))
3.000 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.19636E-02 ppm1 3.396 ppm2 -0.131 CV 1
ASSI { 171}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HB3 ))
6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 0.491 CV 1
ASSI { 172}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HG3 ))
3.200 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.12480E-02 ppm1 0.958 ppm2 -0.134 CV 1
ASSI { 175}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HE ))
2.900 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.26209E-02 ppm1 1.754 ppm2 7.266 CV 1
ASSI { 177}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 9 and name HE ))
3.500 1.500 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.75933E-03 ppm1 1.542 ppm2 7.265 CV 1
ASSI { 178}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HB2 ))
3.000 1.100 1.100 peak 178 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 3.170 ppm2 1.780 CV 1
OR { 178}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 184}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.53006E-02 ppm1 4.613 ppm2 8.265 CV 1
ASSI { 185}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.36213E-02 ppm1 2.763 ppm2 8.266 CV 1
ASSI { 186}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.600 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.48932E-02 ppm1 2.688 ppm2 8.266 CV 1
ASSI { 187}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.613 ppm2 2.761 CV 1
ASSI { 188}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.600 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.42256E-02 ppm1 4.613 ppm2 2.685 CV 1
ASSI { 190}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.600 0.800 0.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.48729E-02 ppm1 3.855 ppm2 7.764 CV 1
ASSI { 191}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.32207E-02 ppm1 1.748 ppm2 7.763 CV 1
ASSI { 192}
( segid " " and resid 25 and name HG1%)
(( segid " " and resid 25 and name HN ))
2.300 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.10395E-01 ppm1 0.819 ppm2 7.763 CV 1
ASSI { 193}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB ))
3.400 1.400 1.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.94605E-03 ppm1 3.856 ppm2 1.756 CV 1
ASSI { 194}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HG1%)
2.600 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.41825E-02 ppm1 3.856 ppm2 0.828 CV 1
ASSI { 195}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 25 and name HG1%)
2.100 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.18563E-01 ppm1 1.754 ppm2 0.828 CV 1
ASSI { 197}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
3.000 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.20096E-02 ppm1 4.090 ppm2 7.767 CV 1
ASSI { 203}
(( segid " " and resid 45 and name HB ))
( segid " " and resid 45 and name HD1%)
6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.831 ppm2 0.880 CV 1
ASSI { 204}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.340 ppm2 8.209 CV 1
ASSI { 205}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HN ))
3.100 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.16413E-02 ppm1 1.193 ppm2 8.210 CV 1
ASSI { 207}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.212 ppm2 7.772 CV 1
ASSI { 208}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 41 and name HN ))
2.800 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.28178E-02 ppm1 1.171 ppm2 7.771 CV 1
ASSI { 209}
(( segid " " and resid 41 and name HB ))
( segid " " and resid 41 and name HG2%)
6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.213 ppm2 1.177 CV 1
ASSI { 210}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HN ))
2.900 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.24670E-02 ppm1 3.223 ppm2 7.524 CV 1
OR { 210}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 212}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HB3 ))
2.300 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.94809E-02 ppm1 3.217 ppm2 1.959 CV 1
OR { 212}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HB2 ))
OR { 212}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 213}
(( segid " " and resid 29 and name HD3 ))
(( segid " " and resid 29 and name HG2 ))
2.400 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.71791E-02 ppm1 3.214 ppm2 1.635 CV 1
OR { 213}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG3 ))
OR { 213}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 224}
(( segid " " and resid 13 and name HA1 ))
(( segid " " and resid 13 and name HN ))
2.400 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.83402E-02 ppm1 3.981 ppm2 8.391 CV 1
ASSI { 225}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.693 ppm2 8.389 CV 1
ASSI { 226}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.475 ppm2 8.389 CV 1
OR { 226}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 227}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HN ))
2.700 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.38747E-02 ppm1 2.118 ppm2 8.387 CV 1
ASSI { 230}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG2 ))
2.800 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.30260E-02 ppm1 3.478 ppm2 2.112 CV 1
OR { 230}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG2 ))
ASSI { 231}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.200 0.600 0.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.13245E-01 ppm1 3.349 ppm2 8.366 CV 1
ASSI { 232}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HB2 ))
2.000 0.500 0.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.25394E-01 ppm1 3.348 ppm2 2.495 CV 1
ASSI { 233}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB3 ))
2.800 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.27816E-02 ppm1 4.679 ppm2 3.348 CV 1
ASSI { 234}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.694 ppm2 8.343 CV 1
ASSI { 235}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.689 ppm2 2.779 CV 1
ASSI { 237}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.84239E-02 ppm1 2.741 ppm2 8.315 CV 1
ASSI { 239}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
2.900 1.100 1.100 peak 239 spectrum 1 weight 0.10000E+01 volume 0.22090E-02 ppm1 4.243 ppm2 2.740 CV 1
ASSI { 241}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HB3 ))
1.800 0.400 0.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.36009E-01 ppm1 2.740 ppm2 2.490 CV 1
ASSI { 251}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HD2 ))
6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.400 ppm2 0.748 CV 1
ASSI { 252}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG2 ))
3.400 1.500 1.500 peak 252 spectrum 1 weight 0.10000E+01 volume 0.84647E-03 ppm1 3.394 ppm2 0.666 CV 1
ASSI { 253}
(( segid " " and resid 40 and name HE2 ))
(( segid " " and resid 40 and name HG3 ))
3.200 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.14415E-02 ppm1 2.189 ppm2 -0.134 CV 1
OR { 253}
(( segid " " and resid 40 and name HE3 ))
(( segid " " and resid 40 and name HG3 ))
ASSI { 255}
(( segid " " and resid 40 and name HE2 ))
(( segid " " and resid 40 and name HG2 ))
3.800 1.800 1.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.48547E-03 ppm1 2.189 ppm2 0.667 CV 1
OR { 255}
(( segid " " and resid 40 and name HE3 ))
(( segid " " and resid 40 and name HG2 ))
ASSI { 256}
(( segid " " and resid 40 and name HE2 ))
(( segid " " and resid 40 and name HD2 ))
3.000 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 2.187 ppm2 0.747 CV 1
OR { 256}
(( segid " " and resid 40 and name HE3 ))
(( segid " " and resid 40 and name HD2 ))
ASSI { 259}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HG2 ))
6.000 4.500 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.955 ppm2 0.667 CV 1
ASSI { 265}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.160 ppm2 8.419 CV 1
ASSI { 266}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.862 ppm2 8.418 CV 1
OR { 266}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 268}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.60769E-02 ppm1 1.448 ppm2 8.418 CV 1
OR { 268}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 270}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.154 ppm2 1.863 CV 1
OR { 270}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
ASSI { 271}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HD2 ))
6.000 4.500 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.155 ppm2 1.705 CV 1
OR { 271}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HD3 ))
ASSI { 272}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.155 ppm2 1.444 CV 1
OR { 272}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 275}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HG2 ))
6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.014 ppm2 1.451 CV 1
OR { 275}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HG3 ))
OR { 275}
(( segid " " and resid 21 and name HE2 ))
(( segid " " and resid 21 and name HG3 ))
OR { 275}
(( segid " " and resid 21 and name HE2 ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 277}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG3 ))
2.000 0.500 0.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.22307E-01 ppm1 1.862 ppm2 1.447 CV 1
OR { 277}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG2 ))
OR { 277}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 279}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.500 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.55518E-02 ppm1 3.407 ppm2 8.064 CV 1
ASSI { 280}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.69008E-02 ppm1 2.924 ppm2 8.064 CV 1
ASSI { 281}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.750 ppm2 8.064 CV 1
ASSI { 282}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.748 ppm2 3.408 CV 1
ASSI { 283}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.754 ppm2 2.924 CV 1
ASSI { 284}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HB3 ))
1.900 0.400 0.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.31369E-01 ppm1 3.407 ppm2 2.923 CV 1
ASSI { 285}
(( segid " " and resid 43 and name HA2 ))
(( segid " " and resid 43 and name HN ))
2.700 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.35964E-02 ppm1 4.065 ppm2 8.210 CV 1
ASSI { 286}
(( segid " " and resid 43 and name HA1 ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.185 ppm2 8.210 CV 1
ASSI { 288}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HB2 ))
6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.410 ppm2 2.076 CV 1
ASSI { 289}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HB3 ))
6.000 4.500 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.407 ppm2 1.981 CV 1
ASSI { 291}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.846 ppm2 7.977 CV 1
ASSI { 293}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HG2%)
2.400 0.700 0.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.73783E-02 ppm1 3.856 ppm2 0.610 CV 1
ASSI { 294}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 25 and name HG2%)
2.100 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.17674E-01 ppm1 1.750 ppm2 0.609 CV 1
ASSI { 296}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 25 and name HN ))
2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.36145E-02 ppm1 0.613 ppm2 7.763 CV 1
ASSI { 305}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.100 0.600 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.16459E-01 ppm1 5.173 ppm2 3.106 CV 1
ASSI { 312}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HB2 ))
1.900 0.400 0.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34696E-01 ppm1 3.265 ppm2 2.864 CV 1
ASSI { 317}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 42 and name HN ))
6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.221 ppm2 8.132 CV 1
ASSI { 318}
(( segid " " and resid 5 and name HB ))
( segid " " and resid 5 and name HG2%)
6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.253 ppm2 1.201 CV 1
ASSI { 325}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HG2 ))
2.400 0.700 0.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.65975E-02 ppm1 2.109 ppm2 1.769 CV 1
OR { 325}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HG3 ))
ASSI { 326}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HE ))
6.000 4.500 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.771 ppm2 7.641 CV 1
OR { 326}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HE ))
ASSI { 327}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.531 ppm2 7.978 CV 1
ASSI { 332}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HN ))
3.500 1.500 1.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.80143E-03 ppm1 0.658 ppm2 7.903 CV 1
ASSI { 333}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HD2 ))
6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.954 ppm2 0.748 CV 1
ASSI { 334}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 41 and name HG2%)
6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.360 ppm2 1.177 CV 1
ASSI { 335}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.39947E-02 ppm1 4.360 ppm2 7.771 CV 1
ASSI { 343}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
2.800 1.000 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.28472E-02 ppm1 4.692 ppm2 2.363 CV 1
ASSI { 346}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.924 ppm2 8.389 CV 1
ASSI { 347}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG3 ))
6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.694 ppm2 1.920 CV 1
ASSI { 348}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HB2 ))
3.200 1.300 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 3.478 ppm2 2.359 CV 1
OR { 348}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 349}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HG3 ))
2.600 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.49679E-02 ppm1 3.475 ppm2 1.920 CV 1
OR { 349}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HG3 ))
ASSI { 351}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HG3 ))
6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.108 ppm2 1.921 CV 1
ASSI { 353}
(( segid " " and resid 16 and name HG13))
(( segid " " and resid 16 and name HG12))
2.000 0.500 0.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.23176E-01 ppm1 1.519 ppm2 0.976 CV 1
ASSI { 354}
(( segid " " and resid 16 and name HB ))
(( segid " " and resid 16 and name HG12))
6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.638 ppm2 0.976 CV 1
ASSI { 356}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB2 ))
2.700 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.33180E-02 ppm1 4.463 ppm2 2.265 CV 1
ASSI { 372}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HE ))
6.000 4.500 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.924 ppm2 7.931 CV 1
ASSI { 373}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HE ))
6.000 4.500 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.105 ppm2 7.931 CV 1
ASSI { 375}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HE ))
6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.474 ppm2 7.930 CV 1
OR { 375}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HE ))
ASSI { 377}
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.270 ppm2 8.954 CV 1
ASSI { 380}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HD2 ))
3.000 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.21524E-02 ppm1 4.405 ppm2 3.269 CV 1
ASSI { 382}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HD3 ))
6.000 4.500 0.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.404 ppm2 3.335 CV 1
ASSI { 384}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.112 ppm2 8.884 CV 1
ASSI { 392}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.752 ppm2 8.436 CV 1
ASSI { 405}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.418 ppm2 8.389 CV 1
ASSI { 406}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HE ))
6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.420 ppm2 7.932 CV 1
ASSI { 407}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HE ))
6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.362 ppm2 7.930 CV 1
ASSI { 410}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HB3 ))
2.900 1.000 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.24919E-02 ppm1 3.476 ppm2 2.414 CV 1
OR { 410}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HB3 ))
ASSI { 412}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HG2 ))
6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.414 ppm2 2.110 CV 1
ASSI { 419}
(( segid " " and resid 16 and name HG12))
(( segid " " and resid 16 and name HN ))
2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.37571E-02 ppm1 0.981 ppm2 8.782 CV 1
ASSI { 426}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 8.260 CV 1
ASSI { 430}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.710 ppm2 1.387 CV 1
ASSI { 431}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.708 ppm2 1.337 CV 1
ASSI { 435}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.246 ppm2 8.884 CV 1
ASSI { 436}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HN ))
2.500 0.800 0.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.63078E-02 ppm1 1.890 ppm2 8.884 CV 1
ASSI { 437}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.770 ppm2 8.884 CV 1
OR { 437}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HN ))
ASSI { 438}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.10556E-01 ppm1 1.885 ppm2 8.939 CV 1
OR { 438}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 439}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HD3 ))
2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.30419E-02 ppm1 4.245 ppm2 3.351 CV 1
ASSI { 440}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HD2 ))
2.900 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.23697E-02 ppm1 4.241 ppm2 3.302 CV 1
ASSI { 441}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.245 ppm2 1.888 CV 1
ASSI { 442}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG2 ))
2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.37842E-02 ppm1 4.245 ppm2 1.766 CV 1
OR { 442}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG3 ))
ASSI { 448}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.348 ppm2 1.888 CV 1
ASSI { 451}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.303 ppm2 1.888 CV 1
ASSI { 454}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.115 ppm2 1.889 CV 1
ASSI { 457}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
3.100 1.200 1.200 peak 457 spectrum 1 weight 0.10000E+01 volume 0.17312E-02 ppm1 4.590 ppm2 2.851 CV 1
ASSI { 458}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HB3 ))
2.000 0.500 0.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.21947E-01 ppm1 3.009 ppm2 2.848 CV 1
ASSI { 459}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HG2 ))
2.600 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.48434E-02 ppm1 4.149 ppm2 2.232 CV 1
ASSI { 460}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG2 ))
2.900 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.24308E-02 ppm1 4.497 ppm2 2.232 CV 1
ASSI { 461}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.100 0.600 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.14761E-01 ppm1 4.495 ppm2 2.365 CV 1
ASSI { 462}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HD3 ))
2.800 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.31392E-02 ppm1 4.502 ppm2 4.147 CV 1
ASSI { 463}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HG2 ))
2.500 0.800 0.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.61991E-02 ppm1 2.362 ppm2 2.232 CV 1
ASSI { 464}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB3 ))
2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.11271E-01 ppm1 2.233 ppm2 1.915 CV 1
ASSI { 465}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HB3 ))
6.000 4.500 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.149 ppm2 1.915 CV 1
ASSI { 466}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.400 0.700 0.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.68872E-02 ppm1 4.494 ppm2 1.915 CV 1
ASSI { 479}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.13883E-01 ppm1 5.234 ppm2 9.281 CV 1
ASSI { 480}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.900 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.21825E-02 ppm1 3.803 ppm2 9.282 CV 1
ASSI { 481}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.900 1.100 1.100 peak 481 spectrum 1 weight 0.10000E+01 volume 0.22723E-02 ppm1 3.624 ppm2 9.282 CV 1
ASSI { 491}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HD1 ))
6.000 4.500 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.171 ppm2 7.192 CV 1
ASSI { 492}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HD1 ))
6.000 4.500 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.099 ppm2 7.189 CV 1
ASSI { 493}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HD1 ))
3.200 1.300 1.300 peak 493 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 3.318 ppm2 7.192 CV 1
ASSI { 494}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HE3 ))
4.100 2.100 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.31731E-03 ppm1 5.174 ppm2 7.437 CV 1
ASSI { 501}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 15 and name HE1 ))
3.200 1.300 1.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.12597E-02 ppm1 0.254 ppm2 9.668 CV 1
ASSI { 503}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.50743E-02 ppm1 2.363 ppm2 8.389 CV 1
ASSI { 508}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.000 0.500 0.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.19374E-01 ppm1 4.084 ppm2 8.558 CV 1
ASSI { 509}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.20938E-02 ppm1 3.418 ppm2 8.558 CV 1
ASSI { 510}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.21427E-02 ppm1 3.106 ppm2 8.558 CV 1
ASSI { 518}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.24873E-02 ppm1 3.895 ppm2 8.266 CV 1
ASSI { 519}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.300 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.87204E-02 ppm1 4.515 ppm2 8.266 CV 1
ASSI { 520}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.400 0.700 0.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.80618E-02 ppm1 4.134 ppm2 8.582 CV 1
ASSI { 521}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 11 and name HN ))
3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.12874E-02 ppm1 2.110 ppm2 8.582 CV 1
ASSI { 522}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 522 spectrum 1 weight 0.10000E+01 volume 0.22160E-02 ppm1 0.982 ppm2 8.582 CV 1
OR { 522}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 11 and name HN ))
ASSI { 523}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
3.300 1.400 1.400 peak 523 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 0.254 ppm2 8.064 CV 1
ASSI { 524}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.700 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.38001E-02 ppm1 1.538 ppm2 8.064 CV 1
ASSI { 525}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.000 0.500 0.500 peak 525 spectrum 1 weight 0.10000E+01 volume 0.23289E-01 ppm1 4.521 ppm2 8.065 CV 1
ASSI { 526}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.11593E-01 ppm1 3.856 ppm2 8.779 CV 1
ASSI { 527}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 26 and name HN ))
3.000 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 1.756 ppm2 8.778 CV 1
ASSI { 528}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 528 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 0.609 ppm2 8.778 CV 1
ASSI { 532}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.46148E-03 ppm1 2.491 ppm2 7.763 CV 1
ASSI { 533}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.743 ppm2 7.762 CV 1
ASSI { 534}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.251 ppm2 7.764 CV 1
ASSI { 535}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
6.000 4.500 0.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.402 ppm2 8.170 CV 1
ASSI { 536}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 36 and name HN ))
3.500 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.82067E-03 ppm1 1.517 ppm2 8.170 CV 1
ASSI { 537}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.400 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.65907E-02 ppm1 1.760 ppm2 8.169 CV 1
OR { 537}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 36 and name HN ))
ASSI { 538}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 538 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 2.606 ppm2 8.954 CV 1
OR { 538}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
ASSI { 539}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.34900E-02 ppm1 4.159 ppm2 7.936 CV 1
ASSI { 540}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 22 and name HN ))
6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.448 ppm2 7.936 CV 1
OR { 540}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 541}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.24421E-02 ppm1 1.861 ppm2 7.936 CV 1
OR { 541}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 545}
(( segid " " and resid 13 and name HA1 ))
(( segid " " and resid 14 and name HN ))
2.500 0.800 0.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.58257E-02 ppm1 3.983 ppm2 7.977 CV 1
ASSI { 546}
(( segid " " and resid 13 and name HA2 ))
(( segid " " and resid 14 and name HN ))
2.500 0.800 0.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.61290E-02 ppm1 4.144 ppm2 7.978 CV 1
ASSI { 547}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 37 and name HA1 ))
2.100 0.500 0.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.16780E-01 ppm1 4.308 ppm2 3.914 CV 1
ASSI { 550}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 38 and name HN ))
3.200 1.300 1.300 peak 550 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 3.925 ppm2 8.884 CV 1
ASSI { 553}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.115 ppm2 8.908 CV 1
ASSI { 554}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.888 ppm2 8.909 CV 1
ASSI { 556}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.300 0.600 0.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.10710E-01 ppm1 4.247 ppm2 8.907 CV 1
ASSI { 565}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 15 and name HH2 ))
3.000 1.100 1.100 peak 565 spectrum 1 weight 0.10000E+01 volume 0.18471E-02 ppm1 3.116 ppm2 6.913 CV 1
ASSI { 568}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 15 and name HZ3 ))
3.500 1.500 1.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.78672E-03 ppm1 3.112 ppm2 7.076 CV 1
OR { 568}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HZ3 ))
ASSI { 572}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HD1 ))
6.000 4.500 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.434 ppm2 7.196 CV 1
ASSI { 573}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HZ3 ))
2.200 0.600 0.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.13994E-01 ppm1 7.432 ppm2 7.071 CV 1
ASSI { 574}
(( segid " " and resid 15 and name HZ3 ))
(( segid " " and resid 15 and name HH2 ))
2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.13369E-01 ppm1 7.071 ppm2 6.912 CV 1
ASSI { 576}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HH2 ))
3.400 1.500 1.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.85733E-03 ppm1 7.434 ppm2 6.910 CV 1
ASSI { 577}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 15 and name HZ2 ))
6.000 4.500 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.430 ppm2 6.730 CV 1
ASSI { 579}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 15 and name HZ2 ))
4.600 2.700 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.14757E-03 ppm1 3.111 ppm2 6.736 CV 1
OR { 579}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HZ2 ))
ASSI { 580}
(( segid " " and resid 15 and name HH2 ))
(( segid " " and resid 15 and name HZ2 ))
2.100 0.600 0.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.14634E-01 ppm1 6.909 ppm2 6.732 CV 1
ASSI { 581}
(( segid " " and resid 15 and name HZ3 ))
(( segid " " and resid 15 and name HZ2 ))
3.300 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.11287E-02 ppm1 7.071 ppm2 6.732 CV 1
ASSI { 586}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.100 0.500 0.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.16889E-01 ppm1 4.378 ppm2 8.292 CV 1
ASSI { 587}
(( segid " " and resid 9 and name HG3 ))
(( segid " " and resid 10 and name HN ))
4.000 2.000 2.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.35353E-03 ppm1 1.538 ppm2 8.292 CV 1
ASSI { 588}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.710 ppm2 8.293 CV 1
ASSI { 589}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.754 ppm2 8.292 CV 1
ASSI { 592}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.614 ppm2 8.391 CV 1
ASSI { 593}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.28133E-02 ppm1 2.765 ppm2 8.391 CV 1
ASSI { 594}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.31663E-02 ppm1 2.686 ppm2 8.391 CV 1
ASSI { 600}
(( segid " " and resid 7 and name HD22))
(( segid " " and resid 7 and name HD21))
1.700 0.400 0.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.54047E-01 ppm1 6.898 ppm2 7.564 CV 1
ASSI { 601}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HD21))
6.000 4.500 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.784 ppm2 7.563 CV 1
ASSI { 602}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HD21))
3.000 1.100 1.100 peak 602 spectrum 1 weight 0.10000E+01 volume 0.18996E-02 ppm1 2.688 ppm2 7.563 CV 1
ASSI { 604}
(( segid " " and resid 43 and name HA1 ))
(( segid " " and resid 44 and name HD3 ))
2.600 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.45832E-02 ppm1 4.185 ppm2 3.632 CV 1
OR { 604}
(( segid " " and resid 43 and name HA1 ))
(( segid " " and resid 44 and name HD2 ))
ASSI { 605}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HN ))
2.500 0.800 0.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.54704E-02 ppm1 4.462 ppm2 7.767 CV 1
ASSI { 608}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.000 0.500 0.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.20956E-01 ppm1 3.398 ppm2 7.772 CV 1
ASSI { 609}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
3.400 1.400 1.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.96597E-03 ppm1 0.955 ppm2 7.772 CV 1
ASSI { 610}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.658 ppm2 7.772 CV 1
ASSI { 611}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
3.400 1.500 1.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.89173E-03 ppm1 0.479 ppm2 7.774 CV 1
ASSI { 612}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 41 and name HN ))
3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 -0.131 ppm2 7.772 CV 1
ASSI { 613}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
2.000 0.500 0.500 peak 613 spectrum 1 weight 0.10000E+01 volume 0.21847E-01 ppm1 4.357 ppm2 7.903 CV 1
ASSI { 614}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 40 and name HN ))
6.000 4.500 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.400 ppm2 7.906 CV 1
OR { 614}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 40 and name HN ))
ASSI { 615}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.900 1.100 1.100 peak 615 spectrum 1 weight 0.10000E+01 volume 0.22791E-02 ppm1 2.077 ppm2 7.903 CV 1
ASSI { 616}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 40 and name HN ))
2.900 1.000 1.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 1.984 ppm2 7.904 CV 1
ASSI { 617}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.319 ppm2 8.783 CV 1
ASSI { 631}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
2.700 0.900 0.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.33791E-02 ppm1 4.516 ppm2 3.875 CV 1
ASSI { 638}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.800 1.000 1.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.26865E-02 ppm1 5.029 ppm2 7.954 CV 1
ASSI { 639}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.273 ppm2 7.954 CV 1
ASSI { 640}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.900 1.000 1.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.24081E-02 ppm1 2.862 ppm2 7.952 CV 1
ASSI { 641}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.400 0.700 0.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.74372E-02 ppm1 2.846 ppm2 8.781 CV 1
ASSI { 642}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.600 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.51286E-02 ppm1 4.599 ppm2 8.782 CV 1
ASSI { 643}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.500 0.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.591 ppm2 3.007 CV 1
ASSI { 645}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.100 0.500 0.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.17880E-01 ppm1 4.679 ppm2 8.938 CV 1
ASSI { 647}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.495 ppm2 8.938 CV 1
ASSI { 648}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.082 ppm2 8.418 CV 1
ASSI { 649}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.887 ppm2 8.418 CV 1
OR { 649}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 650}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.570 ppm2 8.420 CV 1
OR { 650}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 651}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.268 ppm2 1.709 CV 1
ASSI { 653}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 17 and name HB2 ))
3.300 1.300 1.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 4.264 ppm2 3.007 CV 1
ASSI { 654}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 17 and name HB3 ))
3.400 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.10038E-02 ppm1 4.261 ppm2 2.852 CV 1
ASSI { 656}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.146 ppm2 8.366 CV 1
ASSI { 658}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HB3 ))
6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.591 ppm2 1.915 CV 1
ASSI { 661}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.600 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.45175E-02 ppm1 3.097 ppm2 8.781 CV 1
ASSI { 662}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.100 0.600 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.16282E-01 ppm1 5.173 ppm2 8.782 CV 1
ASSI { 663}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.700 1.700 1.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.55926E-03 ppm1 2.577 ppm2 8.808 CV 1
ASSI { 664}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.533 ppm2 8.808 CV 1
ASSI { 666}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.300 0.700 0.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.87476E-02 ppm1 4.594 ppm2 8.431 CV 1
ASSI { 667}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.027 ppm2 8.431 CV 1
ASSI { 668}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.090 ppm2 8.431 CV 1
ASSI { 669}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.65567E-02 ppm1 4.690 ppm2 8.087 CV 1
ASSI { 670}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.688 ppm2 8.089 CV 1
ASSI { 671}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.785 ppm2 8.088 CV 1
ASSI { 677}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 32 and name HN ))
3.200 1.300 1.300 peak 677 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 1.218 ppm2 7.864 CV 1
ASSI { 678}
(( segid " " and resid 31 and name HB ))
( segid " " and resid 31 and name HG2%)
2.000 0.500 0.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.20064E-01 ppm1 4.572 ppm2 1.228 CV 1
ASSI { 679}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.19046E-02 ppm1 1.225 ppm2 8.894 CV 1
ASSI { 680}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.575 ppm2 8.889 CV 1
ASSI { 681}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.631 ppm2 8.391 CV 1
OR { 681}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 682}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.954 ppm2 8.389 CV 1
OR { 682}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 683}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.600 0.900 0.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.42799E-02 ppm1 4.261 ppm2 8.389 CV 1
ASSI { 687}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.261 ppm2 8.343 CV 1
ASSI { 688}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.340 ppm2 8.260 CV 1
ASSI { 692}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
3.000 1.100 1.100 peak 692 spectrum 1 weight 0.10000E+01 volume 0.19306E-02 ppm1 4.260 ppm2 7.861 CV 1
ASSI { 696}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HD21))
3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.16581E-02 ppm1 2.491 ppm2 7.266 CV 1
ASSI { 697}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD21))
2.900 1.000 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.26164E-02 ppm1 2.741 ppm2 7.265 CV 1
ASSI { 699}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HD22))
2.700 0.900 0.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.34968E-02 ppm1 2.491 ppm2 6.682 CV 1
ASSI { 700}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HD22))
3.000 1.100 1.100 peak 700 spectrum 1 weight 0.10000E+01 volume 0.18946E-02 ppm1 4.262 ppm2 6.684 CV 1
ASSI { 701}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HD21))
6.000 4.500 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.251 ppm2 7.262 CV 1
ASSI { 702}
(( segid " " and resid 24 and name HD22))
(( segid " " and resid 24 and name HD21))
1.700 0.400 0.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.52961E-01 ppm1 6.683 ppm2 7.266 CV 1
ASSI { 703}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.566 ppm2 7.862 CV 1
ASSI { 704}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HG2%)
2.200 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.11310E-01 ppm1 4.261 ppm2 1.225 CV 1
ASSI { 705}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 31 and name HA ))
2.700 0.900 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.36009E-02 ppm1 4.568 ppm2 4.259 CV 1
ASSI { 714}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HD% )
6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.754 ppm2 7.392 CV 1
ASSI { 722}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HD% )
3.200 1.300 1.300 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12742E-02 ppm1 8.062 ppm2 7.392 CV 1
ASSI { 725}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 8 and name HD% )
2.700 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.35375E-02 ppm1 4.590 ppm2 7.200 CV 1
ASSI { 726}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 8 and name HD% )
2.800 1.000 1.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.28087E-02 ppm1 8.082 ppm2 7.201 CV 1
ASSI { 727}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 8 and name HD% )
2.500 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.59004E-02 ppm1 3.026 ppm2 7.200 CV 1
ASSI { 728}
(( segid " " and resid 8 and name HB3 ))
( segid " " and resid 8 and name HD% )
6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.089 ppm2 7.200 CV 1
ASSI { 731}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.751 ppm2 8.939 CV 1
OR { 731}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 740}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.572 ppm2 8.940 CV 1
OR { 740}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 741}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 15 and name HE1 ))
2.900 1.100 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.22083E-02 ppm1 8.795 ppm2 9.666 CV 1
ASSI { 744}
(( segid " " and resid 42 and name HB ))
( segid " " and resid 42 and name HG2%)
6.000 4.500 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.218 ppm2 1.183 CV 1
ASSI { 745}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HN ))
6.000 4.500 0.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.748 ppm2 7.905 CV 1
ASSI { 746}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HE ))
6.000 4.500 0.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.694 ppm2 7.931 CV 1
ASSI { 747}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.300 0.700 0.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.96755E-02 ppm1 4.692 ppm2 8.891 CV 1
ASSI { 748}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.475 ppm2 8.891 CV 1
OR { 748}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 31 and name HN ))
ASSI { 749}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG2 ))
6.000 4.500 0.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.356 ppm2 2.110 CV 1
ASSI { 750}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.400 0.700 0.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.77495E-02 ppm1 3.003 ppm2 8.781 CV 1
ASSI { 769}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 15 and name HE1 ))
2.700 0.900 0.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.34062E-02 ppm1 2.360 ppm2 9.667 CV 1
ASSI { 770}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 15 and name HE1 ))
3.900 1.900 1.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.37571E-03 ppm1 2.124 ppm2 9.667 CV 1
ASSI { 771}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 15 and name HE1 ))
6.000 4.500 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.929 ppm2 9.667 CV 1
ASSI { 773}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 15 and name HE1 ))
6.000 4.500 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.447 ppm2 9.667 CV 1
ASSI { 782}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 33 and name HN ))
2.900 1.000 1.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.24625E-02 ppm1 4.362 ppm2 9.281 CV 1
ASSI { 783}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.261 ppm2 9.281 CV 1
ASSI { 785}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.931 ppm2 9.281 CV 1
ASSI { 790}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.106 ppm2 9.281 CV 1
ASSI { 791}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.878 ppm2 9.281 CV 1
ASSI { 796}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.867 ppm2 8.957 CV 1
ASSI { 800}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.420 ppm2 8.954 CV 1
ASSI { 808}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 39 and name HN ))
4.500 2.500 1.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.17540E-03 ppm1 5.243 ppm2 8.906 CV 1
ASSI { 820}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.627 ppm2 8.888 CV 1
ASSI { 821}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.083 ppm2 8.881 CV 1
ASSI { 823}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 38 and name HN ))
2.400 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.80098E-02 ppm1 3.416 ppm2 8.885 CV 1
ASSI { 824}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 38 and name HN ))
2.700 0.900 0.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.33112E-02 ppm1 3.120 ppm2 8.881 CV 1
ASSI { 825}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.867 ppm2 8.881 CV 1
ASSI { 831}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.600 0.900 0.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.42572E-02 ppm1 3.411 ppm2 8.794 CV 1
ASSI { 832}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 28 and name HN ))
2.600 0.800 0.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.47620E-02 ppm1 1.435 ppm2 8.795 CV 1
ASSI { 859}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.616 ppm2 8.577 CV 1
ASSI { 861}
(( segid " " and resid 26 and name HD21))
(( segid " " and resid 34 and name HN ))
2.900 1.100 1.100 peak 861 spectrum 1 weight 0.10000E+01 volume 0.21723E-02 ppm1 4.286 ppm2 8.558 CV 1
ASSI { 868}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 34 and name HN ))
4.100 2.100 1.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.28925E-03 ppm1 1.549 ppm2 8.558 CV 1
ASSI { 885}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 30 and name HN ))
4.100 2.100 1.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.28653E-03 ppm1 2.917 ppm2 8.387 CV 1
ASSI { 895}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.993 ppm2 8.368 CV 1
ASSI { 896}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.613 ppm2 8.368 CV 1
ASSI { 898}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.233 ppm2 8.368 CV 1
ASSI { 899}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.841 ppm2 8.362 CV 1
ASSI { 904}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.500 1.500 1.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.79283E-03 ppm1 3.380 ppm2 8.314 CV 1
ASSI { 906}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.600 0.800 0.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.48072E-02 ppm1 3.010 ppm2 8.315 CV 1
ASSI { 907}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.60226E-02 ppm1 2.844 ppm2 8.315 CV 1
ASSI { 910}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 24 and name HN ))
3.700 1.700 1.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.55926E-03 ppm1 0.802 ppm2 8.315 CV 1
ASSI { 912}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.613 ppm2 8.311 CV 1
ASSI { 934}
(( segid " " and resid 37 and name HA1 ))
(( segid " " and resid 36 and name HN ))
3.500 1.500 1.500 peak 934 spectrum 1 weight 0.10000E+01 volume 0.75186E-03 ppm1 3.931 ppm2 8.172 CV 1
ASSI { 935}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.900 1.100 1.100 peak 935 spectrum 1 weight 0.10000E+01 volume 0.23742E-02 ppm1 3.425 ppm2 8.171 CV 1
ASSI { 937}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 36 and name HN ))
3.000 1.200 1.200 peak 937 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 3.120 ppm2 8.172 CV 1
ASSI { 956}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.360 ppm2 8.064 CV 1
ASSI { 957}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 957 spectrum 1 weight 0.10000E+01 volume 0.15345E-02 ppm1 2.106 ppm2 8.064 CV 1
ASSI { 958}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 27 and name HN ))
2.900 1.000 1.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.26118E-02 ppm1 1.929 ppm2 8.064 CV 1
ASSI { 974}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 37 and name HN ))
3.000 1.100 1.100 peak 974 spectrum 1 weight 0.10000E+01 volume 0.21580E-02 ppm1 3.120 ppm2 7.956 CV 1
ASSI { 981}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.28268E-02 ppm1 4.083 ppm2 7.937 CV 1
ASSI { 987}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 40 and name HN ))
2.600 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.42731E-02 ppm1 5.233 ppm2 7.904 CV 1
ASSI { 990}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 40 and name HN ))
6.000 4.500 0.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.627 ppm2 7.906 CV 1
ASSI { 1000}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 40 and name HN ))
6.000 4.500 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.805 ppm2 7.903 CV 1
ASSI { 1001}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.929 ppm2 7.868 CV 1
ASSI { 1005}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 32 and name HN ))
2.900 1.000 1.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.25168E-02 ppm1 4.692 ppm2 7.861 CV 1
ASSI { 1010}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.411 ppm2 7.861 CV 1
ASSI { 1014}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 41 and name HN ))
6.000 4.500 0.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.081 ppm2 7.772 CV 1
ASSI { 1030}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.300 1.400 1.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.10368E-02 ppm1 3.007 ppm2 7.755 CV 1
ASSI { 1031}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.500 1.500 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.82451E-03 ppm1 2.841 ppm2 7.755 CV 1
ASSI { 1053}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 29 and name HN ))
2.600 0.800 0.800 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.50607E-02 ppm1 1.447 ppm2 7.525 CV 1
ASSI { 1058}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 15 and name HE3 ))
3.400 1.500 1.500 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.90712E-03 ppm1 4.502 ppm2 7.439 CV 1
ASSI { 1059}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HE3 ))
3.100 1.200 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.15051E-02 ppm1 4.268 ppm2 7.438 CV 1
OR { 1059}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 15 and name HE3 ))
OR { 1059}
(( segid " " and resid 26 and name HD21))
(( segid " " and resid 15 and name HE3 ))
ASSI { 1064}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 27 and name HZ ))
3.900 1.900 1.900 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.42346E-03 ppm1 1.949 ppm2 7.438 CV 1
OR { 1064}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 27 and name HZ ))
ASSI { 1065}
(( segid " " and resid 16 and name HB ))
(( segid " " and resid 15 and name HE3 ))
3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 1.636 ppm2 7.439 CV 1
ASSI { 1071}
(( segid " " and resid 30 and name HG2 ))
( segid " " and resid 27 and name HD% )
2.900 1.000 1.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.25009E-02 ppm1 2.106 ppm2 7.392 CV 1
ASSI { 1072}
(( segid " " and resid 29 and name HB3 ))
( segid " " and resid 27 and name HD% )
3.000 1.100 1.100 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.19163E-02 ppm1 1.943 ppm2 7.395 CV 1
OR { 1072}
(( segid " " and resid 30 and name HG3 ))
( segid " " and resid 27 and name HD% )
OR { 1072}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 27 and name HD% )
ASSI { 1073}
(( segid " " and resid 29 and name HG2 ))
( segid " " and resid 27 and name HD% )
6.000 4.500 0.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.632 ppm2 7.393 CV 1
OR { 1073}
(( segid " " and resid 29 and name HG3 ))
( segid " " and resid 27 and name HD% )
ASSI { 1074}
( segid " " and resid 28 and name HB% )
( segid " " and resid 27 and name HD% )
6.000 4.500 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 7.394 CV 1
ASSI { 1077}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 8 and name HZ ))
6.000 4.500 0.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.979 ppm2 7.294 CV 1
OR { 1077}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 8 and name HZ ))
ASSI { 1078}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 24 and name HD21))
2.800 1.000 1.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.28359E-02 ppm1 4.514 ppm2 7.266 CV 1
ASSI { 1082}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 24 and name HD21))
2.700 0.900 0.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.40807E-02 ppm1 2.605 ppm2 7.266 CV 1
OR { 1082}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 24 and name HD21))
ASSI { 1099}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 15 and name HD1 ))
6.000 4.500 0.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.533 ppm2 7.189 CV 1
ASSI { 1100}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 15 and name HD1 ))
3.100 1.200 1.200 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.17079E-02 ppm1 1.447 ppm2 7.190 CV 1
ASSI { 1102}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 15 and name HD1 ))
6.000 4.500 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.256 ppm2 7.190 CV 1
ASSI { 1108}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 15 and name HZ3 ))
6.000 4.500 0.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.224 ppm2 7.075 CV 1
ASSI { 1109}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 15 and name HZ3 ))
2.300 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.10149E-01 ppm1 4.599 ppm2 7.076 CV 1
ASSI { 1111}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 15 and name HZ3 ))
3.500 1.600 1.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.73081E-03 ppm1 4.277 ppm2 7.073 CV 1
ASSI { 1113}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 15 and name HZ3 ))
2.800 1.000 1.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.29264E-02 ppm1 3.399 ppm2 7.075 CV 1
ASSI { 1115}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 15 and name HZ3 ))
3.600 1.600 1.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.65183E-03 ppm1 3.009 ppm2 7.076 CV 1
ASSI { 1116}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 15 and name HZ3 ))
3.000 1.200 1.200 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 2.233 ppm2 7.075 CV 1
ASSI { 1117}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 15 and name HZ3 ))
6.000 4.500 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.904 ppm2 7.075 CV 1
ASSI { 1118}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 15 and name HZ3 ))
6.000 4.500 0.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.484 ppm2 7.075 CV 1
OR { 1118}
(( segid " " and resid 40 and name HD3 ))
(( segid " " and resid 15 and name HZ3 ))
ASSI { 1122}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 15 and name HH2 ))
6.000 4.500 0.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.966 ppm2 6.917 CV 1
ASSI { 1123}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 15 and name HH2 ))
2.600 0.900 0.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.42935E-02 ppm1 5.224 ppm2 6.911 CV 1
ASSI { 1124}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 15 and name HH2 ))
3.000 1.100 1.100 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.20159E-02 ppm1 4.590 ppm2 6.911 CV 1
ASSI { 1125}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 15 and name HH2 ))
3.800 1.800 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.47733E-03 ppm1 4.361 ppm2 6.912 CV 1
ASSI { 1127}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 15 and name HH2 ))
2.900 1.000 1.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.24330E-02 ppm1 4.084 ppm2 6.913 CV 1
ASSI { 1128}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 15 and name HH2 ))
6.000 4.500 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.392 ppm2 6.914 CV 1
ASSI { 1130}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 15 and name HH2 ))
3.400 1.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.87385E-03 ppm1 0.484 ppm2 6.911 CV 1
ASSI { 1132}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HD22))
6.000 4.500 0.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.514 ppm2 6.803 CV 1
ASSI { 1137}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 26 and name HD22))
3.500 1.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.76431E-03 ppm1 2.490 ppm2 6.801 CV 1
ASSI { 1138}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD22))
3.500 1.500 1.500 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.76182E-03 ppm1 1.536 ppm2 6.801 CV 1
ASSI { 1139}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HD22))
3.300 1.400 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.10180E-02 ppm1 0.249 ppm2 6.801 CV 1
ASSI { 1140}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 26 and name HD22))
4.000 2.000 2.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.34198E-03 ppm1 4.590 ppm2 6.797 CV 1
ASSI { 1141}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 26 and name HD22))
2.800 1.000 1.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.27997E-02 ppm1 4.086 ppm2 6.800 CV 1
ASSI { 1142}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HD22))
6.000 4.500 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.854 ppm2 6.800 CV 1
ASSI { 1146}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 15 and name HZ2 ))
3.100 1.200 1.200 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.16499E-02 ppm1 5.224 ppm2 6.733 CV 1
ASSI { 1147}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 15 and name HZ2 ))
6.000 4.500 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.362 ppm2 6.733 CV 1
ASSI { 1148}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 15 and name HZ2 ))
2.800 1.000 1.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.26978E-02 ppm1 4.261 ppm2 6.733 CV 1
ASSI { 1149}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 15 and name HZ2 ))
3.100 1.200 1.200 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.14822E-02 ppm1 4.083 ppm2 6.733 CV 1
ASSI { 1150}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 15 and name HZ2 ))
3.800 1.800 1.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.44745E-03 ppm1 3.399 ppm2 6.733 CV 1
ASSI { 1152}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 15 and name HZ2 ))
2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.35013E-02 ppm1 2.420 ppm2 6.734 CV 1
ASSI { 1153}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 15 and name HZ2 ))
3.200 1.300 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.12109E-02 ppm1 2.360 ppm2 6.733 CV 1
ASSI { 1154}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 15 and name HZ2 ))
6.000 4.500 0.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.106 ppm2 6.733 CV 1
ASSI { 1156}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 15 and name HZ2 ))
3.300 1.400 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 1.544 ppm2 6.734 CV 1
ASSI { 1157}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 15 and name HZ2 ))
6.000 4.500 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.966 ppm2 6.733 CV 1
ASSI { 1159}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 15 and name HZ2 ))
3.200 1.300 1.300 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.12181E-02 ppm1 0.256 ppm2 6.733 CV 1
ASSI { 1162}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 24 and name HD22))
2.900 1.000 1.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.26096E-02 ppm1 4.523 ppm2 6.684 CV 1
ASSI { 1164}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 24 and name HD22))
6.000 4.500 0.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.083 ppm2 6.683 CV 1
ASSI { 1167}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 24 and name HD22))
2.900 1.100 1.100 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.23651E-02 ppm1 2.609 ppm2 6.685 CV 1
OR { 1167}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 24 and name HD22))
ASSI { 1169}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 24 and name HD22))
3.900 1.900 1.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.38544E-03 ppm1 1.752 ppm2 6.683 CV 1
ASSI { 1170}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 24 and name HD22))
3.800 1.800 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.48796E-03 ppm1 1.544 ppm2 6.684 CV 1
ASSI { 1171}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HE ))
2.800 1.000 1.000 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.30419E-02 ppm1 3.305 ppm2 7.642 CV 1
ASSI { 1174}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.23561E-02 ppm1 2.740 ppm2 8.957 CV 1
ASSI { 1177}
(( segid " " and resid 15 and name HH2 ))
(( segid " " and resid 15 and name HE1 ))
6.000 4.500 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.922 ppm2 9.667 CV 1
ASSI { 1178}
(( segid " " and resid 15 and name HZ2 ))
(( segid " " and resid 15 and name HE1 ))
2.600 0.800 0.800 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.51309E-02 ppm1 6.745 ppm2 9.667 CV 1
ASSI { 1181}
(( segid " " and resid 15 and name HZ3 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.074 ppm2 9.281 CV 1
ASSI { 1183}
(( segid " " and resid 15 and name HZ2 ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.745 ppm2 9.281 CV 1
ASSI { 1185}
(( segid " " and resid 24 and name HD21))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.23674E-02 ppm1 7.277 ppm2 8.957 CV 1
ASSI { 1187}
(( segid " " and resid 24 and name HD22))
(( segid " " and resid 35 and name HN ))
3.200 1.300 1.300 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 6.694 ppm2 8.957 CV 1
ASSI { 1188}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.24602E-02 ppm1 7.947 ppm2 8.952 CV 1
ASSI { 1190}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.500 0.800 0.800 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.53595E-02 ppm1 7.860 ppm2 8.894 CV 1
ASSI { 1193}
(( segid " " and resid 15 and name HD1 ))
(( segid " " and resid 15 and name HN ))
2.700 0.900 0.900 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.36733E-02 ppm1 7.201 ppm2 8.812 CV 1
ASSI { 1194}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
3.900 1.900 1.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.39924E-03 ppm1 7.984 ppm2 8.807 CV 1
ASSI { 1195}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 28 and name HN ))
3.000 1.100 1.100 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.19564E-02 ppm1 8.393 ppm2 8.794 CV 1
ASSI { 1196}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
3.000 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 8.063 ppm2 8.793 CV 1
ASSI { 1198}
(( segid " " and resid 15 and name HE3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.432 ppm2 8.782 CV 1
ASSI { 1199}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 17 and name HN ))
3.300 1.300 1.300 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 8.314 ppm2 8.780 CV 1
ASSI { 1200}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 7.759 ppm2 8.780 CV 1
ASSI { 1202}
(( segid " " and resid 26 and name HD22))
(( segid " " and resid 26 and name HN ))
3.200 1.200 1.200 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.14537E-02 ppm1 6.795 ppm2 8.780 CV 1
ASSI { 1207}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 8.291 ppm2 8.584 CV 1
ASSI { 1209}
(( segid " " and resid 24 and name HD21))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.21012E-02 ppm1 7.263 ppm2 8.557 CV 1
ASSI { 1210}
(( segid " " and resid 26 and name HD22))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.16572E-02 ppm1 6.797 ppm2 8.557 CV 1
ASSI { 1211}
(( segid " " and resid 24 and name HD22))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 6.684 ppm2 8.557 CV 1
ASSI { 1213}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HN ))
4.300 2.300 1.700 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.22588E-03 ppm1 8.168 ppm2 8.556 CV 1
ASSI { 1218}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.900 1.100 1.100 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.21662E-02 ppm1 8.088 ppm2 8.432 CV 1
ASSI { 1220}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.300 0.700 0.700 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.89445E-02 ppm1 7.936 ppm2 8.419 CV 1
ASSI { 1224}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.26752E-02 ppm1 7.531 ppm2 8.387 CV 1
ASSI { 1225}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.56469E-03 ppm1 7.760 ppm2 8.364 CV 1
ASSI { 1227}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 24 and name HN ))
4.100 2.100 1.900 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.29332E-03 ppm1 7.936 ppm2 8.317 CV 1
ASSI { 1228}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.40173E-02 ppm1 7.759 ppm2 8.317 CV 1
ASSI { 1229}
(( segid " " and resid 24 and name HD21))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.277 ppm2 8.317 CV 1
ASSI { 1230}
(( segid " " and resid 24 and name HD22))
(( segid " " and resid 24 and name HN ))
3.800 1.800 1.800 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.50924E-03 ppm1 6.694 ppm2 8.317 CV 1
ASSI { 1241}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
2.200 0.600 0.600 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.14134E-01 ppm1 7.961 ppm2 8.172 CV 1
ASSI { 1276}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.200 0.600 0.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.11047E-01 ppm1 7.758 ppm2 7.935 CV 1
ASSI { 1283}
(( segid " " and resid 15 and name HZ2 ))
(( segid " " and resid 32 and name HN ))
2.900 1.100 1.100 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.22701E-02 ppm1 6.745 ppm2 7.861 CV 1
ASSI { 1339}
( segid " " and resid 8 and name HD% )
(( segid " " and resid 8 and name HZ ))
6.000 4.500 0.000 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.202 ppm2 7.298 CV 1
ASSI { 1358}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.15320E-02 ppm1 8.874 ppm2 9.281 CV 1
ASSI { 1359}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.544 ppm2 9.281 CV 1
ASSI { 1368}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
2.700 0.900 0.900 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.38815E-02 ppm1 8.544 ppm2 8.951 CV 1
ASSI { 1389}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
2.300 0.600 0.600 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.10929E-01 ppm1 8.164 ppm2 8.957 CV 1
ASSI { 1390}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
2.700 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.40762E-02 ppm1 8.417 ppm2 8.937 CV 1
ASSI { 1391}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.16022E-02 ppm1 3.412 ppm2 7.524 CV 1
ASSI { 1392}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.800 1.800 1.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.49543E-03 ppm1 2.917 ppm2 7.525 CV 1
ASSI { 1393}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.500 0.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.475 ppm2 8.064 CV 1
OR { 1393}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 27 and name HN ))
ASSI { 1407}
(( segid " " and resid 13 and name HA1 ))
( segid " " and resid 28 and name HB% )
3.100 1.200 1.200 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 3.982 ppm2 1.438 CV 1
ASSI { 1408}
(( segid " " and resid 29 and name HB3 ))
( segid " " and resid 28 and name HB% )
2.800 1.000 1.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.31098E-02 ppm1 1.953 ppm2 1.439 CV 1
OR { 1408}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 28 and name HB% )
ASSI { 1454}
(( segid " " and resid 18 and name HG2 ))
( segid " " and resid 41 and name HG2%)
2.900 1.000 1.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.24896E-02 ppm1 2.220 ppm2 1.176 CV 1
ASSI { 1455}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 41 and name HG2%)
6.000 4.500 0.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.980 ppm2 1.176 CV 1
ASSI { 1482}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 10 and name HG2%)
6.000 4.500 0.000 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.752 ppm2 0.980 CV 1
OR { 1482}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 10 and name HG1%)
ASSI { 1487}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 10 and name HG1%)
6.000 4.500 0.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.868 ppm2 0.974 CV 1
OR { 1487}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 10 and name HG2%)
ASSI { 1520}
(( segid " " and resid 23 and name HA1 ))
( segid " " and resid 16 and name HD1%)
2.500 0.800 0.800 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.61878E-02 ppm1 3.881 ppm2 0.796 CV 1
ASSI { 1545}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 25 and name HG2%)
3.000 1.100 1.100 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.20655E-02 ppm1 4.251 ppm2 0.611 CV 1
ASSI { 1550}
(( segid " " and resid 16 and name HG13))
( segid " " and resid 16 and name HG2%)
3.500 1.500 1.500 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.77631E-03 ppm1 1.523 ppm2 0.612 CV 1
ASSI { 1551}
(( segid " " and resid 16 and name HG12))
( segid " " and resid 16 and name HG2%)
6.000 4.500 0.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.966 ppm2 0.612 CV 1
ASSI { 1562}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HB3 ))
6.000 4.500 0.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.359 ppm2 0.481 CV 1
ASSI { 1566}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 40 and name HB3 ))
3.300 1.400 1.400 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.10341E-02 ppm1 4.261 ppm2 0.479 CV 1
ASSI { 1581}
(( segid " " and resid 26 and name HD21))
(( segid " " and resid 26 and name HB3 ))
2.400 0.700 0.700 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.71791E-02 ppm1 4.286 ppm2 0.251 CV 1
ASSI { 1582}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HB3 ))
6.000 4.500 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.855 ppm2 0.251 CV 1
ASSI { 1583}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
3.200 1.300 1.300 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 2.360 ppm2 0.251 CV 1
ASSI { 1624}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HB3 ))
2.900 1.100 1.100 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.23040E-02 ppm1 2.743 ppm2 1.770 CV 1
OR { 1624}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 1625}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 35 and name HB3 ))
2.700 0.900 0.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.35375E-02 ppm1 2.488 ppm2 1.768 CV 1
OR { 1625}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 1640}
(( segid " " and resid 6 and name HE3 ))
(( segid " " and resid 6 and name HB3 ))
3.100 1.200 1.200 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.15388E-02 ppm1 2.968 ppm2 1.639 CV 1
ASSI { 1658}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HG2 ))
4.000 2.000 2.000 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.34606E-03 ppm1 2.743 ppm2 1.569 CV 1
ASSI { 1659}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 35 and name HG2 ))
3.500 1.500 1.500 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.75548E-03 ppm1 2.492 ppm2 1.570 CV 1
ASSI { 1664}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 26 and name HB2 ))
3.800 1.800 1.800 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.46307E-03 ppm1 2.361 ppm2 1.541 CV 1
ASSI { 1668}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HB2 ))
4.200 2.200 1.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.25847E-03 ppm1 3.857 ppm2 1.530 CV 1
ASSI { 1747}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HA ))
6.000 4.500 0.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.69234E-35 ppm1 4.235 ppm2 3.856 CV 1
ASSI { 1753}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 32 and name HB3 ))
3.100 1.200 1.200 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.14908E-02 ppm1 4.362 ppm2 3.806 CV 1
ASSI { 1769}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 32 and name HB2 ))
4.800 2.900 1.200 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.10954E-03 ppm1 4.362 ppm2 3.622 CV 1
ASSI { 1811}
(( segid " " and resid 26 and name HD21))
(( segid " " and resid 33 and name HB3 ))
3.800 1.800 1.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.47620E-03 ppm1 4.280 ppm2 3.115 CV 1
ASSI { 1820}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.500 0.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.503 ppm2 3.007 CV 1
ASSI { 1822}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 17 and name HB2 ))
2.900 1.100 1.100 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.23357E-02 ppm1 3.881 ppm2 3.007 CV 1
ASSI { 1836}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.500 0.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.159 ppm2 2.849 CV 1
ASSI { 1838}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 17 and name HB3 ))
2.800 1.000 1.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.27431E-02 ppm1 3.881 ppm2 2.849 CV 1
ASSI { 1854}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HB2 ))
6.000 4.500 0.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.897 ppm2 2.681 CV 1
ASSI { 1859}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
3.500 1.600 1.600 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.72199E-03 ppm1 4.846 ppm2 2.533 CV 1
ASSI { 1900}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
6.000 4.500 0.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.242 ppm2 2.115 CV 1
ASSI { 2052}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 22 and name HB2 ))
3.600 1.600 1.600 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.63372E-03 ppm1 2.841 ppm2 2.621 CV 1
ASSI { 2064}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 19 and name HB2 ))
6.000 4.500 0.000 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.019 ppm2 2.488 CV 1
ASSI { 2104}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HB2 ))
6.000 4.500 0.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.387 ppm2 2.076 CV 1
ASSI { 2123}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 30 and name HG3 ))
3.600 1.600 1.600 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.69958E-03 ppm1 2.917 ppm2 1.924 CV 1
ASSI { 2162}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.58596E-02 ppm1 3.888 ppm2 8.316 CV 1
ASSI { 2163}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HG3 ))
6.000 4.500 0.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.654 ppm2 1.337 CV 1
ASSI { 2164}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HB ))
4.000 2.000 2.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.33429E-03 ppm1 5.173 ppm2 1.632 CV 1
ASSI { 2165}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HG13))
6.000 4.500 0.000 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.173 ppm2 1.518 CV 1
ASSI { 2169}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 26 and name HD22))
2.900 1.100 1.100 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.22015E-02 ppm1 3.115 ppm2 6.800 CV 1
ASSI { 2170}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 26 and name HD22))
3.700 1.700 1.700 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.55564E-03 ppm1 3.415 ppm2 6.800 CV 1
ASSI { 2172}
(( segid " " and resid 15 and name HZ3 ))
(( segid " " and resid 26 and name HD22))
3.300 1.300 1.300 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.11948E-02 ppm1 7.072 ppm2 6.801 CV 1
ASSI { 2175}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 38 and name HN ))
3.500 1.500 1.500 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.83945E-03 ppm1 8.165 ppm2 8.882 CV 1
ASSI { 2176}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
2.600 0.800 0.800 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.48095E-02 ppm1 7.947 ppm2 8.883 CV 1
ASSI { 2177}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HN ))
3.000 1.100 1.100 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.20958E-02 ppm1 7.528 ppm2 8.794 CV 1
ASSI { 2186}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HG2 ))
3.500 1.500 1.500 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.82700E-03 ppm1 4.600 ppm2 2.232 CV 1
ASSI { 2187}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 15 and name HH2 ))
6.000 4.500 0.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.418 ppm2 6.912 CV 1
ASSI { 2202}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.397 ppm2 8.954 CV 1
ASSI { 2206}
(( segid " " and resid 15 and name HD1 ))
(( segid " " and resid 15 and name HE1 ))
2.200 0.600 0.600 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.11642E-01 ppm1 7.178 ppm2 9.666 CV 1
ASSI { 2212}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.403 ppm2 9.281 CV 1
ASSI { 2219}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.438 ppm2 8.387 CV 1
ASSI { 2223}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.388 ppm2 8.420 CV 1
ASSI { 2226}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 15 and name HH2 ))
6.000 4.500 0.000 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.502 ppm2 6.915 CV 1
OR { 2226}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 15 and name HH2 ))
ASSI { 2227}
(( segid " " and resid 24 and name HD21))
(( segid " " and resid 26 and name HD22))
2.900 1.000 1.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.25915E-02 ppm1 7.263 ppm2 6.798 CV 1
ASSI { 2229}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.348 ppm2 7.860 CV 1
ASSI { 2230}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 14 and name HN ))
3.400 1.400 1.400 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.91618E-03 ppm1 1.439 ppm2 7.979 CV 1
ASSI { 2237}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.978 ppm2 8.392 CV 1
ASSI { 2238}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 15 and name HE1 ))
2.800 0.900 0.900 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.32614E-02 ppm1 2.415 ppm2 9.668 CV 1
ASSI { 2241}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.30328E-02 ppm1 7.405 ppm2 8.794 CV 1
ASSI { 2242}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 25 and name HG1%)
3.000 1.100 1.100 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 4.252 ppm2 0.825 CV 1
ASSI { 2243}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.955 ppm2 9.281 CV 1
ASSI { 2244}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.905 ppm2 9.281 CV 1
ASSI { 2245}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.862 ppm2 9.281 CV 1
ASSI { 2246}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG13))
2.900 1.100 1.100 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.21954E-02 ppm1 4.261 ppm2 1.537 CV 1
OR { 2246}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 35 and name HG3 ))
OR { 2246}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 2247}
(( segid " " and resid 16 and name HG13))
(( segid " " and resid 16 and name HN ))
6.000 4.500 0.000 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 8.782 CV 1
ASSI { 2248}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 40 and name HB2 ))
2.700 0.900 0.900 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.40490E-02 ppm1 4.252 ppm2 0.975 CV 1
OR { 2248}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG12))
ASSI { 2253}
(( segid " " and resid 16 and name HG12))
( segid " " and resid 16 and name HD1%)
1.900 0.500 0.500 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.29287E-01 ppm1 0.975 ppm2 0.802 CV 1
ASSI { 2258}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HN ))
6.000 4.500 0.000 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.252 ppm2 8.209 CV 1
ASSI { 2264}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
6.000 4.500 0.000 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.258 ppm2 8.889 CV 1
ASSI { 2265}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HB% )
2.200 0.600 0.600 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.14374E-01 ppm1 4.244 ppm2 1.438 CV 1
ASSI { 2266}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 42 and name HN ))
6.000 4.500 0.000 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.210 ppm2 8.132 CV 1
ASSI { 2268}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 42 and name HN ))
6.000 4.500 0.000 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.172 ppm2 8.133 CV 1
ASSI { 2269}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.352 ppm2 8.209 CV 1
ASSI { 2270}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 43 and name HN ))
6.000 4.500 0.000 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.222 ppm2 8.208 CV 1
ASSI { 2271}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HN ))
2.300 0.600 0.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.10705E-01 ppm1 0.480 ppm2 7.903 CV 1
ASSI { 2282}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 15 and name HH2 ))
4.700 2.800 1.300 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.12946E-03 ppm1 7.895 ppm2 6.914 CV 1
ASSI { 2284}
( segid " " and resid 10 and name HG2%)
( segid " " and resid 8 and name HD% )
6.000 4.500 0.000 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.981 ppm2 7.200 CV 1
OR { 2284}
( segid " " and resid 10 and name HG1%)
( segid " " and resid 8 and name HD% )
ASSI { 2285}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 15 and name HE1 ))
3.000 1.200 1.200 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.17719E-02 ppm1 8.391 ppm2 9.666 CV 1
ASSI { 2286}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 15 and name HE1 ))
2.900 1.000 1.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.26141E-02 ppm1 1.537 ppm2 9.666 CV 1
ASSI { 2287}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 15 and name HE1 ))
3.000 1.100 1.100 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.18862E-02 ppm1 4.239 ppm2 9.665 CV 1
ASSI { 2289}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HE3 ))
2.900 1.100 1.100 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.22769E-02 ppm1 3.308 ppm2 7.437 CV 1
ASSI { 2290}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HE3 ))
2.800 1.000 1.000 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.29061E-02 ppm1 3.106 ppm2 7.438 CV 1
ASSI { 2291}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 27 and name HD% )
2.600 0.800 0.800 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.50132E-02 ppm1 2.914 ppm2 7.390 CV 1
ASSI { 2292}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 15 and name HE3 ))
6.000 4.500 0.000 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.003 ppm2 7.433 CV 1
ASSI { 2293}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 15 and name HE3 ))
2.900 1.000 1.000 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.24873E-02 ppm1 4.148 ppm2 7.438 CV 1
ASSI { 2295}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
6.000 4.500 0.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.536 ppm2 8.208 CV 1
ASSI { 2296}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.37073E-02 ppm1 4.500 ppm2 8.367 CV 1
ASSI { 2297}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 15 and name HD1 ))
2.400 0.700 0.700 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.70682E-02 ppm1 4.233 ppm2 7.192 CV 1
ASSI { 2298}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 15 and name HZ3 ))
2.500 0.800 0.800 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.65816E-02 ppm1 4.144 ppm2 7.073 CV 1
ASSI { 2299}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HD1 ))
4.100 2.200 1.900 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.27929E-03 ppm1 2.577 ppm2 7.191 CV 1
ASSI { 2300}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 15 and name HZ2 ))
2.900 1.100 1.100 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.23312E-02 ppm1 0.478 ppm2 6.733 CV 1
ASSI { 2301}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 15 and name HD1 ))
4.000 2.000 2.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.36529E-03 ppm1 0.615 ppm2 7.201 CV 1
OR { 2301}
( segid " " and resid 16 and name HG2%)
( segid " " and resid 8 and name HD% )
OR { 2301}
( segid " " and resid 25 and name HG2%)
( segid " " and resid 8 and name HD% )
ASSI { 2302}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 1.388 CV 1
ASSI { 2303}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 26 and name HD22))
3.900 1.900 1.900 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.39404E-03 ppm1 3.007 ppm2 6.799 CV 1
ASSI { 2304}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB3 ))
3.000 1.200 1.200 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.18224E-02 ppm1 4.846 ppm2 2.575 CV 1
ASSI { 2306}
( segid " " and resid 25 and name HG1%)
( segid " " and resid 25 and name HG2%)
6.000 4.500 0.000 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.819 ppm2 0.611 CV 1
ASSI { 2307}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HG2 ))
6.000 4.500 0.000 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.303 ppm2 1.767 CV 1
OR { 2307}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HG3 ))
ASSI { 2308}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 15 and name HE3 ))
3.900 1.900 1.900 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.38068E-03 ppm1 3.395 ppm2 7.438 CV 1
OR { 2308}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HZ ))
ASSI { 2309}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 27 and name HD% )
2.800 1.000 1.000 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.29332E-02 ppm1 3.412 ppm2 7.391 CV 1
ASSI { 2310}
(( segid " " and resid 40 and name HE3 ))
(( segid " " and resid 15 and name HD1 ))
3.500 1.500 1.500 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.75141E-03 ppm1 2.169 ppm2 7.191 CV 1
OR { 2310}
(( segid " " and resid 40 and name HE2 ))
(( segid " " and resid 15 and name HD1 ))
ASSI { 2311}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HG3 ))
6.000 4.500 0.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.748 ppm2 -0.134 CV 1
ASSI { 2312}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HG3 ))
6.000 4.500 0.000 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.665 ppm2 -0.134 CV 1
ASSI { 2313}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HG3 ))
6.000 4.500 0.000 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.478 ppm2 -0.134 CV 1
ASSI { 2314}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HB3 ))
6.000 4.500 0.000 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.747 ppm2 0.489 CV 1
ASSI { 2315}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 40 and name HB3 ))
6.000 4.500 0.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.666 ppm2 0.491 CV 1
ASSI { 2316}
(( segid " " and resid 40 and name HE3 ))
(( segid " " and resid 40 and name HB3 ))
6.000 4.500 0.000 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.185 ppm2 0.491 CV 1
OR { 2316}
(( segid " " and resid 40 and name HE2 ))
(( segid " " and resid 40 and name HB3 ))
ASSI { 2317}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
6.000 4.500 0.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.265 ppm2 1.653 CV 1
ASSI { 2320}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.500 0.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.783 ppm2 8.436 CV 1
ASSI { 2321}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
6.000 4.500 0.000 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.783 ppm2 8.292 CV 1
ASSI { 2322}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG2 ))
6.000 4.500 0.000 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.380 ppm2 1.753 CV 1
ASSI { 2323}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.000 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.380 ppm2 1.779 CV 1
ASSI { 2324}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HG3 ))
6.000 4.500 0.000 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.783 ppm2 1.538 CV 1
ASSI { 2325}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HG3 ))
6.000 4.500 0.000 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.752 ppm2 1.538 CV 1
ASSI { 2326}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HG3 ))
6.000 4.500 0.000 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.707 ppm2 1.538 CV 1
ASSI { 2327}
(( segid " " and resid 16 and name HG13))
( segid " " and resid 16 and name HD1%)
6.000 4.500 0.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.517 ppm2 0.800 CV 1
ASSI { 2329}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG3 ))
6.000 4.500 0.000 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.889 ppm2 1.572 CV 1
OR { 2329}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG2 ))
OR { 2329}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 2330}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HG3 ))
6.000 4.500 0.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 1.572 CV 1
OR { 2330}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HG2 ))
OR { 2330}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 2331}
(( segid " " and resid 21 and name HE2 ))
(( segid " " and resid 21 and name HD3 ))
6.000 4.500 0.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.014 ppm2 1.712 CV 1
OR { 2331}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HD2 ))
OR { 2331}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HD3 ))
ASSI { 2333}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HG2 ))
6.000 4.500 0.000 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.707 ppm2 1.447 CV 1
OR { 2333}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HG3 ))
OR { 2333}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 2335}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.500 0.000 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.711 ppm2 8.418 CV 1
OR { 2335}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 2336}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HG3 ))
6.000 4.500 0.000 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.359 ppm2 1.922 CV 1
ASSI { 2337}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HG3 ))
6.000 4.500 0.000 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.417 ppm2 1.923 CV 1
ASSI { 2339}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
6.000 4.500 0.000 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.694 ppm2 2.419 CV 1
ASSI { 2342}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HN ))
6.000 4.500 0.000 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.572 ppm2 8.954 CV 1
ASSI { 2343}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 36 and name HN ))
3.400 1.400 1.400 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.93360E-03 ppm1 1.572 ppm2 8.171 CV 1
ASSI { 2344}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HG3 ))
6.000 4.500 0.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.761 ppm2 1.514 CV 1
OR { 2344}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HG3 ))
ASSI { 2345}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HG2 ))
6.000 4.500 0.000 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.761 ppm2 1.570 CV 1
OR { 2345}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HG2 ))
ASSI { 2346}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 35 and name HG3 ))
4.300 2.300 1.700 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.24104E-03 ppm1 2.743 ppm2 1.518 CV 1
ASSI { 2347}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 35 and name HG3 ))
4.400 2.500 1.600 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.18853E-03 ppm1 2.492 ppm2 1.519 CV 1
ASSI { 2348}
(( segid " " and resid 35 and name HD2 ))
(( segid " " and resid 35 and name HG3 ))
6.000 4.500 0.000 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.259 ppm2 1.519 CV 1
ASSI { 2349}
(( segid " " and resid 35 and name HD3 ))
(( segid " " and resid 35 and name HG3 ))
6.000 4.500 0.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.347 ppm2 1.519 CV 1
ASSI { 2350}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG3 ))
2.900 1.000 1.000 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.24964E-02 ppm1 4.403 ppm2 1.519 CV 1
ASSI { 2351}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.303 ppm2 8.886 CV 1
ASSI { 2352}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.348 ppm2 8.886 CV 1
ASSI { 2353}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 39 and name HN ))
6.000 4.500 0.000 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.770 ppm2 8.908 CV 1
OR { 2353}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 39 and name HN ))
ASSI { 2355}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HB3 ))
6.000 4.500 0.000 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.303 ppm2 2.118 CV 1
ASSI { 2356}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HB3 ))
6.000 4.500 0.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.348 ppm2 2.117 CV 1
ASSI { 2357}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HG3 ))
6.000 4.500 0.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.352 ppm2 1.767 CV 1
OR { 2357}
(( segid " " and resid 38 and name HD3 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 2358}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
4.000 2.000 2.000 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.32840E-03 ppm1 4.087 ppm2 7.756 CV 1
ASSI { 2359}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB3 ))
6.000 4.500 0.000 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.366 ppm2 1.913 CV 1
ASSI { 2360}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HB2 ))
6.000 4.500 0.000 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.632 ppm2 2.267 CV 1
OR { 2360}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HB2 ))
ASSI { 2361}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HG3 ))
6.000 4.500 0.000 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.632 ppm2 2.030 CV 1
OR { 2361}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HG2 ))
OR { 2361}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HG2 ))
ASSI { 2362}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HN ))
3.100 1.200 1.200 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.15875E-02 ppm1 2.389 ppm2 8.907 CV 1
ASSI { 2363}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG3 ))
3.800 1.800 1.800 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.44044E-03 ppm1 4.359 ppm2 2.388 CV 1
ASSI { 2364}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HD1 ))
4.400 2.400 1.600 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.18989E-03 ppm1 2.577 ppm2 7.200 CV 1
ASSI { 2365}
(( segid " " and resid 40 and name HD3 ))
(( segid " " and resid 15 and name HE1 ))
3.400 1.400 1.400 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.91912E-03 ppm1 0.473 ppm2 9.668 CV 1
OR { 2365}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 15 and name HE1 ))
ASSI { 2366}
( segid " " and resid 16 and name HG2%)
(( segid " " and resid 15 and name HN ))
3.400 1.500 1.500 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.89128E-03 ppm1 0.613 ppm2 8.810 CV 1
ASSI { 2367}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.500 1.500 1.500 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.81433E-03 ppm1 0.257 ppm2 8.810 CV 1
OR { 2367}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 2375}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 23 and name HN ))
2.400 0.700 0.700 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.68713E-02 ppm1 3.892 ppm2 7.757 CV 1
OR { 2375}
(( segid " " and resid 23 and name HA2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 2376}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.200 0.600 0.600 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.14383E-01 ppm1 3.395 ppm2 7.756 CV 1
ASSI { 2377}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
3.500 1.500 1.500 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.75548E-03 ppm1 4.405 ppm2 7.756 CV 1
ASSI { 2378}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
4.000 2.000 2.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.36031E-03 ppm1 2.491 ppm2 7.756 CV 1
OR { 2378}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 2379}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
4.300 2.300 1.700 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.22814E-03 ppm1 2.743 ppm2 7.756 CV 1
OR { 2379}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 2380}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 16 and name HG2%)
3.200 1.300 1.300 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.13098E-02 ppm1 2.589 ppm2 0.609 CV 1
OR { 2380}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 25 and name HG2%)
OR { 2380}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 25 and name HG2%)
ASSI { 2381}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 16 and name HG2%)
3.800 1.800 1.800 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.45266E-03 ppm1 2.533 ppm2 0.608 CV 1
ASSI { 2382}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 26 and name HD22))
3.200 1.300 1.300 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 2.742 ppm2 6.800 CV 1
ASSI { 2383}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 26 and name HD22))
4.000 2.000 2.000 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.34176E-03 ppm1 2.847 ppm2 6.800 CV 1
ASSI { 2384}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD22))
2.500 0.800 0.800 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.62467E-02 ppm1 2.743 ppm2 6.685 CV 1
ASSI { 2385}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HD3 ))
3.200 1.300 1.300 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.13473E-02 ppm1 4.594 ppm2 4.147 CV 1
ASSI { 2386}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.500 0.000 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.144 ppm2 3.007 CV 1
ASSI { 2387}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.258 ppm2 8.368 CV 1
ASSI { 2388}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG3 ))
2.400 0.700 0.700 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.81252E-02 ppm1 4.498 ppm2 2.085 CV 1
ASSI { 2390}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HG3 ))
6.000 4.500 0.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.147 ppm2 2.086 CV 1
ASSI { 2391}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HG3 ))
6.000 4.500 0.000 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.366 ppm2 2.086 CV 1
ASSI { 2392}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 19 and name HN ))
4.100 2.100 1.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.32207E-03 ppm1 2.087 ppm2 8.368 CV 1
ASSI { 2393}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.900 1.100 1.100 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.23923E-02 ppm1 1.916 ppm2 8.368 CV 1
ASSI { 2394}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.27069E-02 ppm1 1.765 ppm2 7.775 CV 1
ASSI { 2395}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.600 0.900 0.900 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.42527E-02 ppm1 4.845 ppm2 8.809 CV 1
ASSI { 2396}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.28947E-02 ppm1 4.754 ppm2 8.795 CV 1
ASSI { 2397}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.600 1.600 1.600 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.64526E-03 ppm1 2.926 ppm2 8.797 CV 1
ASSI { 2398}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 38 and name HN ))
4.300 2.300 1.700 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.23878E-03 ppm1 4.307 ppm2 8.884 CV 1
ASSI { 2399}
(( segid " " and resid 44 and name HD2 ))
(( segid " " and resid 44 and name HB3 ))
6.000 4.500 0.000 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.632 ppm2 1.991 CV 1
OR { 2399}
(( segid " " and resid 44 and name HD3 ))
(( segid " " and resid 44 and name HB3 ))
ASSI { 2400}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB3 ))
6.000 4.500 0.000 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 1.992 CV 1
ASSI { 2401}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HB3 ))
6.000 4.500 0.000 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.258 ppm2 1.992 CV 1
ASSI { 2404}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG13))
3.900 1.900 1.900 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.38996E-03 ppm1 4.256 ppm2 1.523 CV 1
ASSI { 2405}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.17681E-02 ppm1 0.804 ppm2 7.763 CV 1
ASSI { 2406}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HE3 ))
3.300 1.400 1.400 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 3.320 ppm2 7.437 CV 1
ASSI { 2407}
( segid " " and resid 25 and name HG1%)
(( segid " " and resid 26 and name HN ))
3.100 1.200 1.200 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.14836E-02 ppm1 0.821 ppm2 8.782 CV 1
ASSI { 2409}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 10 and name HG1%)
3.700 1.700 1.700 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.56695E-03 ppm1 2.535 ppm2 0.977 CV 1
OR { 2409}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 10 and name HG2%)
ASSI { 2410}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 10 and name HG1%)
4.100 2.100 1.900 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.31030E-03 ppm1 2.589 ppm2 0.977 CV 1
OR { 2410}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 10 and name HG2%)
ASSI { 2411}
(( segid " " and resid 16 and name HB ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.15540E-02 ppm1 1.636 ppm2 8.795 CV 1
ASSI { 2412}
(( segid " " and resid 40 and name HE3 ))
(( segid " " and resid 40 and name HD3 ))
6.000 4.500 0.000 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.182 ppm2 0.465 CV 1
OR { 2412}
(( segid " " and resid 40 and name HE2 ))
(( segid " " and resid 40 and name HD3 ))
ASSI { 2413}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HD3 ))
6.000 4.500 0.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.750 ppm2 0.463 CV 1
ASSI { 2414}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 39 and name HA ))
2.300 0.700 0.700 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.86752E-02 ppm1 5.236 ppm2 4.357 CV 1
ASSI { 2415}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.913 ppm2 8.402 CV 1
ASSI { 2416}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.894 ppm2 8.402 CV 1
ASSI { 2417}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HZ ))
6.000 4.500 0.000 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.391 ppm2 7.439 CV 1
ASSI { 2418}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.056 ppm2 8.610 CV 1
ASSI { 2419}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.143 ppm2 8.610 CV 1
ASSI { 2420}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.587 ppm2 8.610 CV 1
ASSI { 2421}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.641 ppm2 8.610 CV 1
ASSI { 2422}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
6.000 4.500 0.000 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.575 ppm2 8.610 CV 1
ASSI { 2423}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 36 and name HN ))
4.200 2.200 1.800 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.27635E-03 ppm1 3.403 ppm2 8.170 CV 1
ASSI { 2425}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HB2 ))
2.100 0.500 0.500 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.17882E-01 ppm1 3.808 ppm2 3.624 CV 1
ASSI { 2426}
(( segid " " and resid 13 and name HA2 ))
(( segid " " and resid 13 and name HA1 ))
1.800 0.400 0.400 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.39042E-01 ppm1 4.150 ppm2 3.982 CV 1
ASSI { 2427}
(( segid " " and resid 43 and name HA1 ))
(( segid " " and resid 43 and name HA2 ))
1.800 0.400 0.400 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.42572E-01 ppm1 4.184 ppm2 4.059 CV 1
ASSI { 2428}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 28 and name HA ))
2.400 0.700 0.700 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.77246E-02 ppm1 4.845 ppm2 4.234 CV 1
ASSI { 2429}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 41 and name HA ))
2.200 0.600 0.600 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.14191E-01 ppm1 4.223 ppm2 4.365 CV 1
ASSI { 2433}
(( segid " " and resid 43 and name HA2 ))
(( segid " " and resid 44 and name HD2 ))
2.600 0.900 0.900 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.43455E-02 ppm1 4.066 ppm2 3.632 CV 1
OR { 2433}
(( segid " " and resid 43 and name HA2 ))
(( segid " " and resid 44 and name HD3 ))
ASSI { 2434}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD3 ))
3.600 1.600 1.600 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.62784E-03 ppm1 4.693 ppm2 3.473 CV 1
OR { 2434}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD2 ))
ASSI { 2435}
(( segid " " and resid 45 and name HG12))
( segid " " and resid 45 and name HD1%)
6.000 4.500 0.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.145 ppm2 0.873 CV 1
OR { 2435}
(( segid " " and resid 45 and name HG13))
( segid " " and resid 45 and name HD1%)
ASSI { 2436}
( segid " " and resid 45 and name HG2%)
(( segid " " and resid 45 and name HG12))
6.000 4.500 0.000 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.431 ppm2 1.150 CV 1
ASSI { 2438}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 28 and name HB% )
3.300 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 4.849 ppm2 1.439 CV 1
ASSI { 2439}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 31 and name HG2%)
3.800 1.800 1.800 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.50947E-03 ppm1 4.684 ppm2 1.231 CV 1
ASSI { 2441}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 15 and name HE3 ))
4.800 2.900 1.200 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.11135E-03 ppm1 -0.139 ppm2 7.437 CV 1
Contact the webmaster for help, if required. Saturday, June 1, 2024 4:24:02 AM GMT (wattos1)