NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
607674 |
2n71   |
25789 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 5}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 19 and name HN ))
4.500 2.500 1.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.10816E-03 ppm1 9.202 ppm2 9.681 CV 1
ASSI { 6}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 17 and name HN ))
4.300 2.300 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.79915E-04 ppm1 7.340 ppm2 8.362 CV 1
ASSI { 7}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 15 and name HN ))
3.300 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.53524E-03 ppm1 5.453 ppm2 8.961 CV 1
ASSI { 10}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 25 and name HD% )
2.300 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42745E-02 ppm1 2.874 ppm2 7.040 CV 1
ASSI { 11}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 25 and name HD% )
2.200 2.200 3.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.48320E-02 ppm1 2.821 ppm2 7.040 CV 1
ASSI { 12}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.400 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.40515E-02 ppm1 2.850 ppm2 7.839 CV 1
ASSI { 14}
(( segid " " and resid 14 and name HZ2 ))
(( segid " " and resid 14 and name HE1 ))
2.900 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.11969E-02 ppm1 7.450 ppm2 10.307 CV 1
ASSI { 16}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 14 and name HE1 ))
4.500 2.500 1.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.15871E-03 ppm1 7.148 ppm2 10.309 CV 1
ASSI { 17}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 27 and name HN ))
3.900 1.900 1.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.21298E-03 ppm1 0.586 ppm2 7.342 CV 1
ASSI { 18}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 17 and name HG2%)
3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.49807E-03 ppm1 5.454 ppm2 0.591 CV 1
ASSI { 20}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HD2 ))
2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 4.525 ppm2 1.110 CV 1
ASSI { 23}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 34 and name HE22))
3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.69878E-03 ppm1 4.583 ppm2 6.887 CV 1
ASSI { 24}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 34 and name HE21))
2.700 0.900 0.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.20369E-02 ppm1 4.583 ppm2 7.989 CV 1
ASSI { 26}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 25 and name HD% )
4.100 2.100 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.17135E-03 ppm1 9.552 ppm2 7.063 CV 1
ASSI { 27}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
4.300 2.300 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.18510E-03 ppm1 8.351 ppm2 8.114 CV 1
ASSI { 33}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.900 1.100 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 5.451 ppm2 3.569 CV 1
ASSI { 34}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.700 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17767E-02 ppm1 5.446 ppm2 3.156 CV 1
ASSI { 35}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 15 and name HB3 ))
3.500 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.72108E-03 ppm1 5.456 ppm2 2.966 CV 1
ASSI { 46}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HE3 ))
4.000 2.000 2.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.36537E-03 ppm1 8.960 ppm2 7.773 CV 1
ASSI { 51}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
4.200 2.200 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.15351E-03 ppm1 9.305 ppm2 9.530 CV 1
ASSI { 55}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 19 and name HN ))
4.500 2.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.10482E-03 ppm1 8.450 ppm2 9.672 CV 1
ASSI { 61}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HN ))
4.300 2.300 1.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.78427E-04 ppm1 7.347 ppm2 9.533 CV 1
ASSI { 64}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 19 and name HN ))
4.500 2.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13232E-03 ppm1 6.910 ppm2 9.682 CV 1
ASSI { 68}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 25 and name HN ))
4.400 2.400 1.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.73596E-04 ppm1 6.735 ppm2 9.526 CV 1
ASSI { 70}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 18 and name HN ))
4.100 2.100 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.17098E-03 ppm1 9.202 ppm2 8.248 CV 1
ASSI { 72}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 26 and name HN ))
5.600 4.000 0.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.40515E-04 ppm1 8.661 ppm2 9.305 CV 1
ASSI { 76}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 26 and name HN ))
4.600 2.700 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.52409E-04 ppm1 7.849 ppm2 9.314 CV 1
ASSI { 78}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 26 and name HN ))
5.200 3.400 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.46462E-04 ppm1 7.456 ppm2 9.305 CV 1
ASSI { 85}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 26 and name HN ))
3.600 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.37541E-03 ppm1 7.046 ppm2 9.306 CV 1
ASSI { 93}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 46 and name HE1 ))
4.500 2.500 1.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.10185E-03 ppm1 8.383 ppm2 8.730 CV 1
ASSI { 95}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 15 and name HN ))
4.400 2.400 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.14385E-03 ppm1 8.119 ppm2 8.961 CV 1
ASSI { 96}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
4.300 2.300 1.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.14125E-03 ppm1 8.063 ppm2 8.839 CV 1
ASSI { 97}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 6 and name HN ))
4.300 2.300 1.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13939E-03 ppm1 7.985 ppm2 8.852 CV 1
ASSI { 100}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 15 and name HN ))
5.100 3.200 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.59100E-04 ppm1 7.342 ppm2 8.962 CV 1
ASSI { 106}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 7 and name HN ))
3.300 1.300 1.300 peak 106 spectrum 1 weight 0.10000E+01 volume 0.59843E-03 ppm1 6.906 ppm2 8.771 CV 1
ASSI { 109}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 15 and name HN ))
4.700 2.800 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.13232E-03 ppm1 6.288 ppm2 8.972 CV 1
ASSI { 113}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 31 and name HN ))
4.300 2.300 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14273E-03 ppm1 7.342 ppm2 7.854 CV 1
ASSI { 120}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HE3 ))
4.300 2.300 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.15128E-03 ppm1 7.241 ppm2 7.775 CV 1
ASSI { 125}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 14 and name HE3 ))
3.700 1.700 1.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.47949E-03 ppm1 7.146 ppm2 7.769 CV 1
ASSI { 127}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 17 and name HN ))
4.600 2.600 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.72852E-04 ppm1 7.046 ppm2 8.360 CV 1
ASSI { 139}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 31 and name HN ))
4.000 2.000 2.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.32003E-03 ppm1 6.737 ppm2 7.854 CV 1
ASSI { 140}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 35 and name HE21))
4.600 2.700 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.56126E-04 ppm1 6.737 ppm2 7.726 CV 1
ASSI { 143}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 30 and name HN ))
4.500 2.600 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.84003E-04 ppm1 6.292 ppm2 8.662 CV 1
ASSI { 145}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 27 and name HD21))
2.000 0.500 0.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.60586E-02 ppm1 6.292 ppm2 8.119 CV 1
ASSI { 146}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 12 and name HN ))
4.600 2.600 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.65047E-04 ppm1 6.282 ppm2 8.582 CV 1
ASSI { 148}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
3.500 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.53524E-03 ppm1 8.360 ppm2 8.544 CV 1
ASSI { 151}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
3.000 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.86236E-03 ppm1 8.279 ppm2 8.591 CV 1
ASSI { 154}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HN ))
4.100 2.100 1.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.18696E-03 ppm1 8.113 ppm2 8.513 CV 1
ASSI { 155}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 12 and name HN ))
4.400 2.400 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10333E-03 ppm1 8.109 ppm2 8.594 CV 1
ASSI { 160}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 32 and name HN ))
4.400 2.500 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.91439E-04 ppm1 7.718 ppm2 8.670 CV 1
ASSI { 161}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 30 and name HN ))
4.200 2.200 1.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.22376E-03 ppm1 7.462 ppm2 8.661 CV 1
ASSI { 165}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HN ))
4.600 2.700 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.84747E-04 ppm1 7.850 ppm2 8.281 CV 1
ASSI { 169}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
4.300 2.300 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.18027E-03 ppm1 7.758 ppm2 8.221 CV 1
ASSI { 173}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 10 and name HN ))
3.900 1.900 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.19105E-03 ppm1 7.459 ppm2 8.117 CV 1
ASSI { 175}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 31 and name HN ))
5.300 3.500 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.34010E-04 ppm1 7.449 ppm2 7.849 CV 1
ASSI { 176}
(( segid " " and resid 14 and name HZ2 ))
(( segid " " and resid 14 and name HE3 ))
4.400 2.400 1.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.11671E-03 ppm1 7.454 ppm2 7.774 CV 1
ASSI { 178}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HE21))
3.400 1.500 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.38656E-03 ppm1 7.674 ppm2 7.984 CV 1
ASSI { 179}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HN ))
2.600 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.25572E-02 ppm1 7.714 ppm2 7.825 CV 1
ASSI { 181}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 12 and name HE ))
4.000 2.000 2.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.20741E-03 ppm1 6.292 ppm2 7.245 CV 1
ASSI { 183}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 14 and name HZ2 ))
2.500 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.32077E-02 ppm1 7.151 ppm2 7.454 CV 1
ASSI { 185}
(( segid " " and resid 14 and name HZ3 ))
(( segid " " and resid 14 and name HZ2 ))
3.600 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.51294E-03 ppm1 7.062 ppm2 7.455 CV 1
ASSI { 188}
(( segid " " and resid 37 and name HE22))
(( segid " " and resid 37 and name HN ))
3.500 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 6.894 ppm2 7.618 CV 1
ASSI { 193}
( segid " " and resid 31 and name HD% )
( segid " " and resid 31 and name HE% )
2.100 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.54267E-02 ppm1 6.738 ppm2 6.905 CV 1
ASSI { 194}
(( segid " " and resid 31 and name HZ ))
(( segid " " and resid 35 and name HE22))
3.600 1.600 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.63931E-03 ppm1 6.671 ppm2 7.059 CV 1
ASSI { 195}
(( segid " " and resid 31 and name HZ ))
( segid " " and resid 31 and name HE% )
2.200 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.50179E-02 ppm1 6.672 ppm2 6.907 CV 1
ASSI { 200}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HN ))
4.800 2.900 1.200 peak 200 spectrum 1 weight 0.10000E+01 volume 0.65790E-04 ppm1 5.455 ppm2 8.663 CV 1
ASSI { 201}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 17 and name HN ))
4.100 2.100 1.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.10965E-03 ppm1 5.450 ppm2 8.359 CV 1
ASSI { 206}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 46 and name HE1 ))
5.400 3.700 0.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.50922E-04 ppm1 5.218 ppm2 8.732 CV 1
ASSI { 207}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 46 and name HN ))
4.900 3.000 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.76197E-04 ppm1 5.221 ppm2 7.236 CV 1
ASSI { 211}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 25 and name HD% )
3.600 1.600 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.33118E-03 ppm1 5.213 ppm2 7.044 CV 1
ASSI { 213}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HE3 ))
2.900 1.000 1.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.13306E-02 ppm1 5.119 ppm2 7.774 CV 1
ASSI { 214}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HD1 ))
4.200 2.200 1.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.15649E-03 ppm1 5.120 ppm2 7.241 CV 1
ASSI { 221}
(( segid " " and resid 19 and name HA2 ))
( segid " " and resid 31 and name HE% )
3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.68020E-03 ppm1 4.732 ppm2 6.904 CV 1
ASSI { 222}
(( segid " " and resid 19 and name HA2 ))
( segid " " and resid 31 and name HD% )
3.500 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.34605E-03 ppm1 4.720 ppm2 6.733 CV 1
ASSI { 224}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 22 and name HN ))
4.200 2.200 1.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.15871E-03 ppm1 4.711 ppm2 8.448 CV 1
ASSI { 226}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 31 and name HZ ))
4.600 2.600 1.400 peak 226 spectrum 1 weight 0.10000E+01 volume 0.13046E-03 ppm1 4.715 ppm2 6.676 CV 1
ASSI { 233}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HN ))
2.600 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.21595E-02 ppm1 4.624 ppm2 8.164 CV 1
ASSI { 234}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 19 and name HN ))
4.100 2.100 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.18659E-03 ppm1 4.612 ppm2 9.676 CV 1
ASSI { 235}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 45 and name HN ))
4.300 2.300 1.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.84747E-04 ppm1 4.610 ppm2 9.196 CV 1
ASSI { 238}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HN ))
3.400 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.51666E-03 ppm1 4.584 ppm2 8.279 CV 1
ASSI { 240}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.78800E-03 ppm1 4.578 ppm2 9.529 CV 1
ASSI { 241}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 27 and name HN ))
4.200 2.200 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.17061E-03 ppm1 4.578 ppm2 7.347 CV 1
ASSI { 242}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 25 and name HD% )
3.300 1.300 1.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.52409E-03 ppm1 4.579 ppm2 7.041 CV 1
ASSI { 245}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HE% )
5.200 3.300 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.54639E-04 ppm1 4.526 ppm2 6.771 CV 1
ASSI { 247}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.200 0.600 0.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.59843E-02 ppm1 4.521 ppm2 8.554 CV 1
ASSI { 248}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HD% )
3.000 3.000 3.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.84747E-03 ppm1 4.523 ppm2 7.086 CV 1
ASSI { 250}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.800 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.17172E-02 ppm1 4.512 ppm2 8.273 CV 1
ASSI { 251}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 13 and name HN ))
3.800 1.800 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.29736E-03 ppm1 4.514 ppm2 8.067 CV 1
ASSI { 252}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HD22))
5.000 3.200 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.17952E-03 ppm1 4.516 ppm2 7.245 CV 1
ASSI { 253}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 46 and name HE1 ))
4.800 2.900 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.85115E-04 ppm1 4.507 ppm2 8.730 CV 1
ASSI { 256}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 48 and name HN ))
2.800 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.13567E-02 ppm1 4.509 ppm2 8.163 CV 1
ASSI { 261}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 27 and name HN ))
4.500 2.500 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.16949E-03 ppm1 4.482 ppm2 7.344 CV 1
ASSI { 266}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 27 and name HD22))
4.300 2.300 1.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.22711E-03 ppm1 4.458 ppm2 6.294 CV 1
ASSI { 268}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.75454E-03 ppm1 4.456 ppm2 8.594 CV 1
ASSI { 270}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.79171E-03 ppm1 4.437 ppm2 8.514 CV 1
ASSI { 271}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 34 and name HE21))
4.700 2.800 1.300 peak 271 spectrum 1 weight 0.10000E+01 volume 0.76197E-04 ppm1 4.433 ppm2 7.945 CV 1
ASSI { 272}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 34 and name HE22))
5.300 3.600 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.32746E-04 ppm1 4.436 ppm2 6.906 CV 1
ASSI { 273}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 46 and name HE1 ))
2.700 0.900 0.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.18287E-02 ppm1 4.392 ppm2 8.730 CV 1
ASSI { 274}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
2.900 1.100 1.100 peak 274 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 4.392 ppm2 8.383 CV 1
ASSI { 277}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 4.372 ppm2 8.279 CV 1
ASSI { 280}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.900 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.13084E-02 ppm1 4.363 ppm2 7.706 CV 1
ASSI { 288}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HE1 ))
4.600 2.700 1.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.11560E-03 ppm1 3.395 ppm2 10.306 CV 1
ASSI { 290}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 14 and name HE1 ))
5.700 4.000 0.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.31000E-04 ppm1 4.522 ppm2 10.315 CV 1
ASSI { 293}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.900 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.12452E-02 ppm1 3.945 ppm2 9.787 CV 1
ASSI { 299}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.53524E-03 ppm1 4.275 ppm2 9.306 CV 1
ASSI { 301}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 30 and name HN ))
4.800 2.800 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.96266E-04 ppm1 4.280 ppm2 8.629 CV 1
ASSI { 302}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 14 and name HE3 ))
3.200 3.200 2.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 4.276 ppm2 7.773 CV 1
ASSI { 303}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
4.100 2.100 1.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.19105E-03 ppm1 4.278 ppm2 7.342 CV 1
ASSI { 304}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 30 and name HD22))
3.500 1.600 1.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.37913E-03 ppm1 4.277 ppm2 7.248 CV 1
ASSI { 305}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 14 and name HH2 ))
5.200 3.400 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.45347E-04 ppm1 4.279 ppm2 7.148 CV 1
ASSI { 306}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 14 and name HZ3 ))
3.600 1.600 1.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.42373E-03 ppm1 4.277 ppm2 7.063 CV 1
ASSI { 307}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 30 and name HD21))
4.200 2.200 1.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.15054E-03 ppm1 4.274 ppm2 7.456 CV 1
ASSI { 313}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 15 and name HN ))
5.000 3.100 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.63931E-04 ppm1 4.209 ppm2 8.963 CV 1
ASSI { 314}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 314 spectrum 1 weight 0.10000E+01 volume 0.95522E-03 ppm1 4.207 ppm2 8.064 CV 1
ASSI { 322}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.77684E-03 ppm1 4.185 ppm2 8.359 CV 1
ASSI { 323}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 48 and name HN ))
2.700 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.16391E-02 ppm1 4.184 ppm2 8.165 CV 1
ASSI { 326}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 45 and name HN ))
4.400 2.500 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.12006E-03 ppm1 4.131 ppm2 9.197 CV 1
ASSI { 328}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.16317E-02 ppm1 4.103 ppm2 8.219 CV 1
ASSI { 329}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 14 and name HZ2 ))
4.900 3.000 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.80658E-04 ppm1 4.093 ppm2 7.449 CV 1
ASSI { 332}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HN ))
3.800 1.800 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.22227E-03 ppm1 4.089 ppm2 8.961 CV 1
ASSI { 333}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 27 and name HN ))
4.400 2.400 1.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.10221E-03 ppm1 4.089 ppm2 7.340 CV 1
ASSI { 337}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.74711E-03 ppm1 4.037 ppm2 7.980 CV 1
ASSI { 340}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HN ))
2.300 2.300 3.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.53152E-02 ppm1 3.996 ppm2 7.649 CV 1
ASSI { 343}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 15 and name HN ))
4.500 2.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.11336E-03 ppm1 3.984 ppm2 8.961 CV 1
ASSI { 346}
(( segid " " and resid 28 and name HD2 ))
( segid " " and resid 15 and name HD% )
3.400 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.40143E-03 ppm1 3.981 ppm2 7.086 CV 1
ASSI { 350}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 45 and name HN ))
4.800 2.900 1.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.84371E-04 ppm1 3.942 ppm2 9.192 CV 1
ASSI { 353}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 37 and name HE22))
3.700 1.700 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.38656E-03 ppm1 3.889 ppm2 6.951 CV 1
ASSI { 354}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HN ))
5.200 3.400 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.50179E-04 ppm1 3.883 ppm2 8.671 CV 1
ASSI { 358}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 22 and name HN ))
4.200 2.200 1.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.21075E-03 ppm1 3.842 ppm2 8.449 CV 1
ASSI { 359}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
3.200 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.72108E-03 ppm1 3.843 ppm2 7.762 CV 1
ASSI { 361}
(( segid " " and resid 40 and name HD3 ))
(( segid " " and resid 39 and name HN ))
5.600 3.900 0.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.22079E-04 ppm1 3.835 ppm2 7.828 CV 1
ASSI { 363}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HE1 ))
5.300 3.600 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.47949E-04 ppm1 3.826 ppm2 8.729 CV 1
ASSI { 364}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HD2 ))
3.100 1.200 1.200 peak 364 spectrum 1 weight 0.10000E+01 volume 0.84003E-03 ppm1 3.815 ppm2 7.216 CV 1
OR { 364}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HN ))
ASSI { 368}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 31 and name HD% )
3.700 1.700 1.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.33712E-03 ppm1 4.214 ppm2 6.738 CV 1
ASSI { 376}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 31 and name HE% )
2.800 2.800 3.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.19254E-02 ppm1 3.941 ppm2 6.890 CV 1
ASSI { 380}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HN ))
3.700 1.700 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.34976E-03 ppm1 3.771 ppm2 7.720 CV 1
ASSI { 382}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 14 and name HH2 ))
3.800 1.800 1.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.27542E-03 ppm1 3.693 ppm2 7.148 CV 1
ASSI { 383}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 14 and name HZ3 ))
3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.89582E-03 ppm1 3.693 ppm2 7.060 CV 1
ASSI { 388}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HN ))
2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.35422E-02 ppm1 3.476 ppm2 9.199 CV 1
ASSI { 389}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 19 and name HN ))
4.600 2.700 1.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12080E-03 ppm1 3.474 ppm2 9.680 CV 1
ASSI { 392}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HN ))
4.500 2.500 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.97755E-04 ppm1 3.695 ppm2 9.533 CV 1
ASSI { 394}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 15 and name HN ))
4.400 2.500 1.600 peak 394 spectrum 1 weight 0.10000E+01 volume 0.10296E-03 ppm1 3.693 ppm2 8.964 CV 1
ASSI { 396}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 43 and name HN ))
4.100 2.100 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.10816E-03 ppm1 3.481 ppm2 8.832 CV 1
ASSI { 399}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 31 and name HE% )
3.700 1.700 1.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.23751E-03 ppm1 3.476 ppm2 6.905 CV 1
ASSI { 400}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 31 and name HD% )
4.700 2.800 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.44603E-04 ppm1 3.475 ppm2 6.736 CV 1
ASSI { 401}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 31 and name HZ ))
4.200 2.200 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14199E-03 ppm1 3.477 ppm2 6.670 CV 1
ASSI { 403}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
4.300 2.300 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.16391E-03 ppm1 3.387 ppm2 8.964 CV 1
ASSI { 405}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
2.900 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.97011E-03 ppm1 3.388 ppm2 8.660 CV 1
ASSI { 406}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
2.100 0.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.74711E-02 ppm1 3.388 ppm2 8.275 CV 1
ASSI { 409}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HE3 ))
4.200 2.200 1.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.43116E-03 ppm1 3.391 ppm2 7.773 CV 1
ASSI { 411}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 12 and name HN ))
5.200 3.400 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.39028E-04 ppm1 3.335 ppm2 8.605 CV 1
ASSI { 414}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.12006E-02 ppm1 3.316 ppm2 8.280 CV 1
ASSI { 417}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HN ))
4.800 2.800 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.99989E-04 ppm1 3.254 ppm2 8.595 CV 1
ASSI { 418}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HE ))
4.900 2.900 1.100 peak 418 spectrum 1 weight 0.10000E+01 volume 0.52037E-04 ppm1 3.256 ppm2 7.300 CV 1
ASSI { 421}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
3.300 1.300 1.300 peak 421 spectrum 1 weight 0.10000E+01 volume 0.57985E-03 ppm1 3.211 ppm2 7.853 CV 1
ASSI { 422}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HE% )
4.900 2.900 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.74711E-04 ppm1 3.215 ppm2 6.907 CV 1
ASSI { 424}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 33 and name HN ))
4.600 2.600 1.400 peak 424 spectrum 1 weight 0.10000E+01 volume 0.91807E-04 ppm1 3.210 ppm2 7.977 CV 1
ASSI { 426}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HD% )
2.900 1.000 1.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.10965E-02 ppm1 3.210 ppm2 6.738 CV 1
ASSI { 427}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.000 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.12489E-02 ppm1 3.198 ppm2 8.837 CV 1
ASSI { 428}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HE3 ))
3.100 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.77312E-03 ppm1 3.197 ppm2 7.774 CV 1
ASSI { 431}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
4.000 2.000 2.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.22934E-03 ppm1 3.160 ppm2 7.342 CV 1
ASSI { 433}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 46 and name HE1 ))
4.400 2.400 1.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.15760E-03 ppm1 3.149 ppm2 8.729 CV 1
ASSI { 434}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HE21))
2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.16355E-02 ppm1 3.081 ppm2 7.984 CV 1
ASSI { 438}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
2.400 0.700 0.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.40886E-02 ppm1 3.051 ppm2 8.662 CV 1
ASSI { 440}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.700 1.700 1.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.23045E-03 ppm1 3.045 ppm2 9.307 CV 1
ASSI { 442}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
4.500 2.500 1.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.98868E-04 ppm1 3.043 ppm2 8.449 CV 1
ASSI { 443}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
3.200 1.300 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.10407E-02 ppm1 3.045 ppm2 7.710 CV 1
ASSI { 444}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HD21))
3.600 1.600 1.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.35162E-03 ppm1 3.046 ppm2 7.458 CV 1
ASSI { 447}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 25 and name HD% )
3.000 3.000 3.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.71366E-03 ppm1 3.045 ppm2 7.044 CV 1
ASSI { 450}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
2.700 0.900 0.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.19180E-02 ppm1 3.011 ppm2 8.361 CV 1
ASSI { 451}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.17024E-02 ppm1 3.000 ppm2 8.666 CV 1
ASSI { 453}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 31 and name HD% )
2.500 2.500 3.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.21484E-02 ppm1 2.998 ppm2 6.738 CV 1
ASSI { 455}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
4.000 2.000 2.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.43488E-03 ppm1 2.971 ppm2 8.961 CV 1
ASSI { 458}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 15 and name HD% )
3.200 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.66905E-03 ppm1 2.970 ppm2 7.087 CV 1
ASSI { 460}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
2.600 2.600 3.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.26911E-02 ppm1 2.877 ppm2 9.306 CV 1
ASSI { 463}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 27 and name HN ))
3.000 3.000 3.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.96266E-03 ppm1 2.874 ppm2 7.343 CV 1
ASSI { 464}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 31 and name HD% )
3.100 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.12564E-02 ppm1 2.872 ppm2 6.737 CV 1
ASSI { 465}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.000 0.500 0.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.10891E-01 ppm1 2.871 ppm2 9.531 CV 1
ASSI { 470}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.500 0.800 0.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.26799E-02 ppm1 2.819 ppm2 9.530 CV 1
ASSI { 473}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 31 and name HD% )
2.600 2.600 3.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.17730E-02 ppm1 2.816 ppm2 6.737 CV 1
ASSI { 481}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 23 and name HN ))
4.700 2.800 1.300 peak 481 spectrum 1 weight 0.10000E+01 volume 0.11931E-03 ppm1 2.736 ppm2 7.770 CV 1
ASSI { 485}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 2.718 ppm2 8.817 CV 1
ASSI { 489}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 4 and name HN ))
3.600 1.700 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.53524E-03 ppm1 2.656 ppm2 8.362 CV 1
ASSI { 492}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.400 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.16020E-04 ppm1 2.585 ppm2 7.772 CV 1
ASSI { 493}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 27 and name HN ))
4.600 2.600 1.400 peak 493 spectrum 1 weight 0.10000E+01 volume 0.82888E-04 ppm1 2.581 ppm2 7.349 CV 1
ASSI { 494}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 25 and name HN ))
4.600 2.700 1.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13492E-03 ppm1 2.577 ppm2 9.528 CV 1
ASSI { 495}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
4.000 2.000 2.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.54267E-03 ppm1 2.574 ppm2 8.667 CV 1
ASSI { 496}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.12229E-02 ppm1 2.575 ppm2 7.853 CV 1
ASSI { 497}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 25 and name HD% )
3.500 1.500 1.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.33304E-03 ppm1 2.575 ppm2 7.041 CV 1
ASSI { 498}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 31 and name HD% )
2.600 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.20629E-02 ppm1 2.573 ppm2 6.737 CV 1
ASSI { 499}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 31 and name HE% )
4.400 2.400 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.14645E-03 ppm1 2.571 ppm2 6.905 CV 1
ASSI { 503}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.400 1.400 1.400 peak 503 spectrum 1 weight 0.10000E+01 volume 0.49435E-03 ppm1 3.583 ppm2 8.848 CV 1
ASSI { 504}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 37 and name HE21))
4.000 2.000 2.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.15909E-03 ppm1 3.584 ppm2 7.984 CV 1
ASSI { 506}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 37 and name HN ))
6.000 6.000 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.32375E-05 ppm1 3.587 ppm2 7.650 CV 1
ASSI { 507}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 29 and name HN ))
4.800 2.800 1.200 peak 507 spectrum 1 weight 0.10000E+01 volume 0.11374E-03 ppm1 3.564 ppm2 8.285 CV 1
ASSI { 508}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.900 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.98131E-03 ppm1 3.562 ppm2 8.961 CV 1
ASSI { 509}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
4.200 2.200 1.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.12415E-03 ppm1 3.560 ppm2 7.344 CV 1
ASSI { 510}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 27 and name HD22))
3.600 1.700 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.23714E-03 ppm1 3.391 ppm2 6.293 CV 1
ASSI { 511}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 27 and name HD22))
3.600 1.600 1.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.26687E-03 ppm1 3.315 ppm2 6.293 CV 1
ASSI { 512}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 27 and name HD22))
4.000 2.000 2.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.25721E-03 ppm1 3.261 ppm2 6.329 CV 1
ASSI { 514}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 27 and name HD22))
5.300 3.500 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.46462E-04 ppm1 3.071 ppm2 6.290 CV 1
ASSI { 517}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
3.200 1.300 1.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.57985E-03 ppm1 2.463 ppm2 7.825 CV 1
ASSI { 521}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 37 and name HN ))
2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.17544E-02 ppm1 2.454 ppm2 7.649 CV 1
ASSI { 524}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HD22))
3.300 1.300 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.10407E-02 ppm1 2.386 ppm2 7.450 CV 1
ASSI { 527}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 50 and name HN ))
3.500 1.500 1.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 2.378 ppm2 8.384 CV 1
ASSI { 529}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.200 1.300 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.13381E-02 ppm1 2.365 ppm2 9.541 CV 1
ASSI { 530}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
4.000 2.000 2.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.23417E-03 ppm1 2.350 ppm2 9.680 CV 1
ASSI { 531}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 46 and name HE1 ))
3.300 1.300 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.69878E-03 ppm1 2.350 ppm2 8.729 CV 1
ASSI { 537}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 15 and name HN ))
4.700 2.700 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.73967E-04 ppm1 2.247 ppm2 8.962 CV 1
ASSI { 543}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 37 and name HN ))
4.300 2.400 1.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.11300E-03 ppm1 2.228 ppm2 7.650 CV 1
ASSI { 544}
(( segid " " and resid 23 and name HB ))
(( segid " " and resid 19 and name HN ))
4.600 2.600 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.90318E-04 ppm1 2.224 ppm2 9.679 CV 1
ASSI { 551}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HN ))
3.000 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.95898E-03 ppm1 2.187 ppm2 8.234 CV 1
ASSI { 559}
(( segid " " and resid 35 and name HG3 ))
( segid " " and resid 31 and name HD% )
4.500 2.600 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.13121E-03 ppm1 2.165 ppm2 6.720 CV 1
ASSI { 560}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HE22))
2.700 0.900 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.27580E-02 ppm1 2.153 ppm2 7.059 CV 1
ASSI { 561}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 31 and name HZ ))
4.800 2.900 1.200 peak 561 spectrum 1 weight 0.10000E+01 volume 0.72108E-04 ppm1 2.158 ppm2 6.675 CV 1
ASSI { 570}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
4.300 2.300 1.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.10333E-03 ppm1 2.082 ppm2 8.231 CV 1
ASSI { 580}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.600 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.23826E-02 ppm1 2.006 ppm2 8.064 CV 1
ASSI { 581}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 15 and name HD% )
3.100 1.200 1.200 peak 581 spectrum 1 weight 0.10000E+01 volume 0.63560E-03 ppm1 2.004 ppm2 7.081 CV 1
ASSI { 583}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 27 and name HD22))
4.400 2.500 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.18845E-03 ppm1 2.007 ppm2 6.292 CV 1
ASSI { 586}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HE21))
3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.58356E-03 ppm1 1.993 ppm2 7.721 CV 1
ASSI { 588}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 50 and name HN ))
3.300 1.400 1.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.53896E-03 ppm1 1.982 ppm2 8.382 CV 1
ASSI { 590}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 43 and name HN ))
2.400 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.33639E-02 ppm1 1.957 ppm2 8.844 CV 1
ASSI { 592}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.700 2.700 3.300 peak 592 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 1.961 ppm2 7.649 CV 1
ASSI { 594}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 20 and name HN ))
3.900 1.900 1.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.19402E-03 ppm1 1.953 ppm2 9.786 CV 1
ASSI { 598}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 31 and name HZ ))
4.100 2.100 1.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.20183E-03 ppm1 1.948 ppm2 6.672 CV 1
ASSI { 599}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HE22))
4.800 2.900 1.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.11745E-03 ppm1 1.888 ppm2 7.021 CV 1
ASSI { 602}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 37 and name HN ))
3.900 1.900 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.26354E-03 ppm1 1.878 ppm2 7.652 CV 1
ASSI { 606}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 34 and name HN ))
5.500 3.800 0.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.59471E-04 ppm1 1.871 ppm2 7.183 CV 1
ASSI { 607}
(( segid " " and resid 35 and name HB3 ))
( segid " " and resid 31 and name HE% )
4.600 2.700 1.400 peak 607 spectrum 1 weight 0.10000E+01 volume 0.89950E-04 ppm1 1.855 ppm2 6.896 CV 1
ASSI { 609}
( segid " " and resid 47 and name HE% )
( segid " " and resid 15 and name HD% )
3.600 3.600 2.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.25572E-03 ppm1 1.841 ppm2 7.087 CV 1
ASSI { 611}
( segid " " and resid 47 and name HE% )
(( segid " " and resid 47 and name HN ))
5.100 3.300 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.60215E-04 ppm1 1.839 ppm2 9.106 CV 1
ASSI { 612}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
6.000 5.500 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.13604E-04 ppm1 1.806 ppm2 8.514 CV 1
ASSI { 613}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 25 and name HN ))
4.400 2.400 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.11969E-03 ppm1 1.781 ppm2 9.533 CV 1
ASSI { 614}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 48 and name HN ))
6.000 5.400 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.14087E-04 ppm1 1.781 ppm2 8.165 CV 1
ASSI { 615}
(( segid " " and resid 17 and name HB ))
( segid " " and resid 25 and name HD% )
4.800 2.800 1.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.66905E-04 ppm1 1.783 ppm2 7.036 CV 1
ASSI { 617}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.84003E-03 ppm1 1.772 ppm2 8.358 CV 1
ASSI { 629}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 7 and name HN ))
3.700 1.700 1.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.36649E-03 ppm1 1.643 ppm2 8.770 CV 1
ASSI { 633}
(( segid " " and resid 42 and name HG13))
(( segid " " and resid 31 and name HZ ))
3.700 1.700 1.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.23826E-03 ppm1 1.643 ppm2 6.672 CV 1
ASSI { 636}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
3.400 1.500 1.500 peak 636 spectrum 1 weight 0.10000E+01 volume 0.56870E-03 ppm1 1.604 ppm2 8.351 CV 1
ASSI { 637}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.200 1.300 1.300 peak 637 spectrum 1 weight 0.10000E+01 volume 0.89582E-03 ppm1 1.603 ppm2 8.514 CV 1
ASSI { 640}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 2 and name HN ))
3.500 1.500 1.500 peak 640 spectrum 1 weight 0.10000E+01 volume 0.43116E-03 ppm1 1.562 ppm2 8.773 CV 1
ASSI { 642}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 31 and name HZ ))
5.200 3.300 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.59471E-04 ppm1 1.429 ppm2 6.671 CV 1
ASSI { 644}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 15 and name HN ))
4.300 2.300 1.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15425E-03 ppm1 1.418 ppm2 8.966 CV 1
ASSI { 647}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 14 and name HZ2 ))
3.000 1.200 1.200 peak 647 spectrum 1 weight 0.10000E+01 volume 0.92920E-03 ppm1 1.412 ppm2 7.451 CV 1
ASSI { 648}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 14 and name HH2 ))
4.200 2.200 1.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.18139E-03 ppm1 1.412 ppm2 7.149 CV 1
ASSI { 650}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.700 0.900 0.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.26354E-02 ppm1 1.388 ppm2 8.245 CV 1
ASSI { 652}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
4.400 2.400 1.600 peak 652 spectrum 1 weight 0.10000E+01 volume 0.19254E-03 ppm1 1.383 ppm2 9.680 CV 1
ASSI { 653}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 46 and name HE1 ))
4.100 2.100 1.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14161E-03 ppm1 1.384 ppm2 8.729 CV 1
ASSI { 655}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HN ))
2.900 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.16837E-02 ppm1 1.337 ppm2 8.280 CV 1
ASSI { 656}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 27 and name HD22))
4.200 2.200 1.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.18547E-03 ppm1 1.338 ppm2 6.293 CV 1
ASSI { 658}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 10 and name HN ))
3.300 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.96643E-03 ppm1 1.330 ppm2 8.114 CV 1
ASSI { 660}
(( segid " " and resid 42 and name HG12))
(( segid " " and resid 20 and name HN ))
4.600 2.700 1.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.13121E-03 ppm1 1.320 ppm2 9.788 CV 1
ASSI { 668}
(( segid " " and resid 42 and name HG12))
(( segid " " and resid 42 and name HN ))
3.200 1.300 1.300 peak 668 spectrum 1 weight 0.10000E+01 volume 0.53152E-03 ppm1 1.323 ppm2 7.259 CV 1
ASSI { 671}
(( segid " " and resid 42 and name HG12))
(( segid " " and resid 31 and name HZ ))
3.700 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.56497E-03 ppm1 1.322 ppm2 6.672 CV 1
ASSI { 672}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 1.318 ppm2 7.980 CV 1
ASSI { 676}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 44 and name HN ))
3.300 1.300 1.300 peak 676 spectrum 1 weight 0.10000E+01 volume 0.62073E-03 ppm1 1.173 ppm2 8.505 CV 1
ASSI { 677}
( segid " " and resid 45 and name HB% )
(( segid " " and resid 23 and name HN ))
4.100 2.100 1.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.16317E-03 ppm1 1.173 ppm2 7.725 CV 1
ASSI { 680}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 31 and name HZ ))
4.100 2.100 1.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.21892E-03 ppm1 1.172 ppm2 6.672 CV 1
ASSI { 682}
( segid " " and resid 45 and name HB% )
(( segid " " and resid 19 and name HN ))
4.600 2.600 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.77684E-04 ppm1 1.163 ppm2 9.685 CV 1
ASSI { 684}
( segid " " and resid 45 and name HB% )
(( segid " " and resid 18 and name HN ))
4.600 2.700 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.99989E-04 ppm1 1.163 ppm2 8.246 CV 1
ASSI { 685}
( segid " " and resid 45 and name HB% )
(( segid " " and resid 46 and name HN ))
2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.29847E-02 ppm1 1.165 ppm2 7.230 CV 1
OR { 685}
( segid " " and resid 45 and name HB% )
(( segid " " and resid 46 and name HD2 ))
ASSI { 687}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 14 and name HD1 ))
3.100 1.200 1.200 peak 687 spectrum 1 weight 0.10000E+01 volume 0.17692E-02 ppm1 1.113 ppm2 7.240 CV 1
ASSI { 688}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 14 and name HE1 ))
3.900 1.900 1.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.45347E-03 ppm1 1.108 ppm2 10.307 CV 1
ASSI { 689}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 19 and name HN ))
4.700 2.700 1.300 peak 689 spectrum 1 weight 0.10000E+01 volume 0.95522E-04 ppm1 1.091 ppm2 9.681 CV 1
ASSI { 690}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.97755E-03 ppm1 1.089 ppm2 9.530 CV 1
ASSI { 691}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 50 and name HN ))
2.900 1.100 1.100 peak 691 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 1.089 ppm2 8.376 CV 1
ASSI { 693}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 27 and name HN ))
5.300 3.500 0.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.39028E-04 ppm1 1.089 ppm2 7.346 CV 1
ASSI { 696}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 31 and name HE% )
4.100 2.100 1.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.16912E-03 ppm1 1.088 ppm2 6.903 CV 1
ASSI { 697}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 31 and name HD% )
5.100 3.300 0.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.34940E-04 ppm1 1.089 ppm2 6.740 CV 1
ASSI { 698}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 26 and name HN ))
4.400 2.400 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.10110E-03 ppm1 1.084 ppm2 9.308 CV 1
ASSI { 700}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.600 0.800 0.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 1.085 ppm2 7.719 CV 1
ASSI { 701}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 31 and name HZ ))
4.700 2.700 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10036E-03 ppm1 1.086 ppm2 6.674 CV 1
ASSI { 703}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 14 and name HE1 ))
4.300 2.300 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13306E-03 ppm1 0.976 ppm2 10.311 CV 1
ASSI { 704}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 14 and name HZ2 ))
3.800 1.800 1.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.23937E-03 ppm1 0.974 ppm2 7.452 CV 1
ASSI { 705}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 14 and name HH2 ))
4.400 2.400 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.10110E-03 ppm1 0.979 ppm2 7.154 CV 1
ASSI { 706}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 15 and name HN ))
5.100 3.200 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.42373E-04 ppm1 0.970 ppm2 8.955 CV 1
ASSI { 708}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 49 and name HN ))
4.300 2.300 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.28026E-03 ppm1 0.972 ppm2 8.234 CV 1
ASSI { 709}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 48 and name HN ))
6.000 4.500 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.30962E-04 ppm1 0.969 ppm2 8.158 CV 1
ASSI { 711}
( segid " " and resid 5 and name HG1%)
(( segid " " and resid 7 and name HN ))
3.800 1.800 1.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.29364E-03 ppm1 0.964 ppm2 8.772 CV 1
ASSI { 713}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 14 and name HZ3 ))
4.200 2.200 1.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.12935E-03 ppm1 0.964 ppm2 7.049 CV 1
ASSI { 714}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 35 and name HE21))
3.800 1.800 1.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.37913E-03 ppm1 0.912 ppm2 7.723 CV 1
ASSI { 715}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 35 and name HE22))
5.000 3.100 1.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.75826E-04 ppm1 0.913 ppm2 7.058 CV 1
ASSI { 716}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 20 and name HN ))
4.600 2.600 1.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.12564E-03 ppm1 0.911 ppm2 9.787 CV 1
ASSI { 719}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 39 and name HN ))
3.900 1.900 1.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.14236E-03 ppm1 0.912 ppm2 7.831 CV 1
ASSI { 720}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 42 and name HN ))
2.700 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.15760E-02 ppm1 0.911 ppm2 7.261 CV 1
ASSI { 723}
(( segid " " and resid 35 and name HE21))
( segid " " and resid 31 and name HE% )
3.100 1.200 1.200 peak 723 spectrum 1 weight 0.10000E+01 volume 0.54267E-03 ppm1 7.723 ppm2 6.905 CV 1
ASSI { 726}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 726 spectrum 1 weight 0.10000E+01 volume 0.57985E-03 ppm1 0.752 ppm2 8.361 CV 1
ASSI { 727}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 14 and name HH2 ))
4.400 2.400 1.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.15760E-03 ppm1 0.752 ppm2 7.146 CV 1
ASSI { 729}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 14 and name HE1 ))
4.700 2.800 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12377E-03 ppm1 0.746 ppm2 10.308 CV 1
ASSI { 730}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 14 and name HZ2 ))
3.900 1.900 1.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.29810E-03 ppm1 0.748 ppm2 7.448 CV 1
ASSI { 733}
( segid " " and resid 23 and name HG1%)
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.23268E-03 ppm1 0.709 ppm2 8.449 CV 1
ASSI { 734}
( segid " " and resid 23 and name HG1%)
(( segid " " and resid 24 and name HN ))
3.300 1.400 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.54639E-03 ppm1 0.711 ppm2 8.220 CV 1
ASSI { 737}
( segid " " and resid 23 and name HG1%)
(( segid " " and resid 19 and name HN ))
4.400 2.500 1.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.92920E-04 ppm1 0.703 ppm2 9.680 CV 1
ASSI { 740}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 20 and name HN ))
4.200 2.200 1.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.13827E-03 ppm1 0.620 ppm2 9.788 CV 1
ASSI { 744}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 17 and name HN ))
2.500 0.800 0.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.26354E-02 ppm1 0.625 ppm2 8.360 CV 1
OR { 744}
( segid " " and resid 17 and name HG1%)
(( segid " " and resid 17 and name HN ))
ASSI { 747}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 35 and name HE21))
3.400 1.500 1.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.35162E-03 ppm1 0.623 ppm2 7.721 CV 1
ASSI { 751}
( segid " " and resid 42 and name HD1%)
( segid " " and resid 31 and name HE% )
2.500 0.800 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.25832E-02 ppm1 0.622 ppm2 6.904 CV 1
ASSI { 753}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 31 and name HZ ))
3.200 1.300 1.300 peak 753 spectrum 1 weight 0.10000E+01 volume 0.94785E-03 ppm1 0.619 ppm2 6.671 CV 1
ASSI { 754}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 19 and name HN ))
3.500 1.500 1.500 peak 754 spectrum 1 weight 0.10000E+01 volume 0.44975E-03 ppm1 0.588 ppm2 9.679 CV 1
ASSI { 756}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 26 and name HN ))
5.100 3.200 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.52409E-04 ppm1 0.591 ppm2 9.312 CV 1
ASSI { 758}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.11336E-02 ppm1 0.587 ppm2 8.360 CV 1
ASSI { 760}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 31 and name HN ))
3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.39400E-03 ppm1 0.588 ppm2 7.853 CV 1
ASSI { 761}
( segid " " and resid 17 and name HG2%)
( segid " " and resid 25 and name HD% )
2.800 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.13232E-02 ppm1 0.588 ppm2 7.043 CV 1
ASSI { 762}
( segid " " and resid 17 and name HG2%)
( segid " " and resid 31 and name HD% )
2.600 2.600 3.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.19700E-02 ppm1 0.589 ppm2 6.738 CV 1
ASSI { 763}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 45 and name HN ))
3.700 1.700 1.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.32337E-03 ppm1 0.585 ppm2 9.198 CV 1
ASSI { 764}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 44 and name HN ))
3.100 3.100 2.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12675E-02 ppm1 0.585 ppm2 8.505 CV 1
ASSI { 768}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 19 and name HN ))
4.700 2.800 1.300 peak 768 spectrum 1 weight 0.10000E+01 volume 0.72108E-04 ppm1 0.355 ppm2 9.680 CV 1
ASSI { 772}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 18 and name HN ))
3.200 1.300 1.300 peak 772 spectrum 1 weight 0.10000E+01 volume 0.62073E-03 ppm1 0.350 ppm2 8.246 CV 1
ASSI { 774}
( segid " " and resid 44 and name HG2%)
( segid " " and resid 25 and name HD% )
4.400 2.400 1.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.72481E-04 ppm1 0.350 ppm2 7.042 CV 1
OR { 774}
( segid " " and resid 44 and name HD1%)
( segid " " and resid 25 and name HD% )
ASSI { 775}
( segid " " and resid 44 and name HD1%)
( segid " " and resid 31 and name HE% )
3.200 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.60958E-03 ppm1 0.350 ppm2 6.904 CV 1
ASSI { 776}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 31 and name HZ ))
2.200 2.200 3.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.65790E-02 ppm1 0.350 ppm2 6.670 CV 1
ASSI { 777}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 20 and name HN ))
4.500 2.600 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.97387E-04 ppm1 0.345 ppm2 9.788 CV 1
OR { 777}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 20 and name HN ))
ASSI { 778}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 17 and name HN ))
4.700 2.700 1.300 peak 778 spectrum 1 weight 0.10000E+01 volume 0.92552E-04 ppm1 0.346 ppm2 8.365 CV 1
ASSI { 779}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 48 and name HN ))
4.800 2.800 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.81773E-04 ppm1 0.347 ppm2 8.166 CV 1
ASSI { 780}
( segid " " and resid 44 and name HD1%)
( segid " " and resid 31 and name HD% )
3.000 3.000 3.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.75082E-03 ppm1 0.349 ppm2 6.738 CV 1
OR { 780}
( segid " " and resid 44 and name HG2%)
( segid " " and resid 31 and name HD% )
ASSI { 782}
( segid " " and resid 23 and name HG2%)
(( segid " " and resid 26 and name HN ))
5.500 3.700 0.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.31445E-04 ppm1 0.168 ppm2 9.302 CV 1
ASSI { 783}
( segid " " and resid 23 and name HG2%)
(( segid " " and resid 22 and name HN ))
4.600 2.600 1.400 peak 783 spectrum 1 weight 0.10000E+01 volume 0.54639E-04 ppm1 0.167 ppm2 8.450 CV 1
ASSI { 784}
(( segid " " and resid 35 and name HE21))
(( segid " " and resid 31 and name HZ ))
3.400 1.400 1.400 peak 784 spectrum 1 weight 0.10000E+01 volume 0.52037E-03 ppm1 7.726 ppm2 6.671 CV 1
ASSI { 795}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 13 and name HB3 ))
4.900 3.000 1.100 peak 795 spectrum 1 weight 0.10000E+01 volume 0.65047E-04 ppm1 5.457 ppm2 2.006 CV 1
ASSI { 796}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 16 and name HA ))
4.900 3.000 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.48320E-04 ppm1 5.453 ppm2 4.088 CV 1
ASSI { 799}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.000 1.100 1.100 peak 799 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 5.215 ppm2 2.350 CV 1
ASSI { 811}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HB ))
5.000 3.200 1.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.10891E-03 ppm1 4.818 ppm2 1.424 CV 1
ASSI { 812}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 42 and name HG2%)
4.800 2.900 1.200 peak 812 spectrum 1 weight 0.10000E+01 volume 0.42001E-04 ppm1 4.818 ppm2 0.906 CV 1
ASSI { 813}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB ))
4.100 2.100 1.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.17024E-03 ppm1 4.815 ppm2 4.215 CV 1
ASSI { 814}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG2%)
2.900 1.000 1.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.12749E-02 ppm1 4.816 ppm2 1.173 CV 1
ASSI { 815}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 44 and name HD1%)
5.100 3.200 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.54639E-04 ppm1 4.815 ppm2 0.343 CV 1
ASSI { 819}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 20 and name HB3 ))
4.000 2.000 2.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.12600E-03 ppm1 4.794 ppm2 3.947 CV 1
ASSI { 821}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 1 and name HB% )
4.900 3.000 1.100 peak 821 spectrum 1 weight 0.10000E+01 volume 0.71366E-04 ppm1 4.792 ppm2 1.548 CV 1
ASSI { 822}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 42 and name HG12))
3.500 3.500 2.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.28695E-03 ppm1 4.796 ppm2 1.326 CV 1
ASSI { 823}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 23 and name HG1%)
4.800 2.900 1.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.55755E-04 ppm1 4.785 ppm2 0.696 CV 1
ASSI { 824}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 50 and name HB3 ))
6.000 6.000 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.26651E-05 ppm1 4.780 ppm2 3.156 CV 1
ASSI { 826}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 17 and name HG2%)
3.600 1.600 1.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.44975E-03 ppm1 4.778 ppm2 0.590 CV 1
ASSI { 827}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 23 and name HG2%)
3.400 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.30330E-03 ppm1 4.777 ppm2 0.157 CV 1
ASSI { 828}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB ))
4.400 2.400 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.98131E-04 ppm1 4.775 ppm2 4.104 CV 1
ASSI { 831}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HB3 ))
4.600 2.700 1.400 peak 831 spectrum 1 weight 0.10000E+01 volume 0.17879E-03 ppm1 4.771 ppm2 2.881 CV 1
ASSI { 832}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HB2 ))
4.300 2.300 1.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.26056E-03 ppm1 4.772 ppm2 2.817 CV 1
ASSI { 833}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 50 and name HB2 ))
4.300 2.300 1.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.97755E-04 ppm1 4.771 ppm2 2.579 CV 1
ASSI { 834}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 18 and name HB3 ))
4.800 2.800 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.14273E-03 ppm1 4.772 ppm2 2.353 CV 1
ASSI { 835}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HG2%)
2.900 1.100 1.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.10816E-02 ppm1 4.774 ppm2 1.089 CV 1
ASSI { 839}
(( segid " " and resid 19 and name HA2 ))
( segid " " and resid 44 and name HG2%)
4.300 2.300 1.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.21112E-03 ppm1 4.745 ppm2 0.344 CV 1
OR { 839}
(( segid " " and resid 19 and name HA2 ))
( segid " " and resid 44 and name HD1%)
ASSI { 842}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB3 ))
2.600 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.25944E-02 ppm1 4.714 ppm2 2.893 CV 1
ASSI { 844}
(( segid " " and resid 19 and name HA2 ))
( segid " " and resid 45 and name HB% )
5.700 4.000 0.300 peak 844 spectrum 1 weight 0.10000E+01 volume 0.32932E-04 ppm1 4.715 ppm2 1.170 CV 1
ASSI { 845}
(( segid " " and resid 19 and name HA2 ))
( segid " " and resid 42 and name HD1%)
3.800 1.800 1.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.21521E-03 ppm1 4.704 ppm2 0.621 CV 1
ASSI { 846}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 31 and name HA ))
2.500 2.500 3.500 peak 846 spectrum 1 weight 0.10000E+01 volume 0.30925E-02 ppm1 4.698 ppm2 3.221 CV 1
ASSI { 849}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 35 and name HA ))
4.300 2.300 1.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.13864E-03 ppm1 4.682 ppm2 3.996 CV 1
ASSI { 850}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 36 and name HA ))
2.900 1.100 1.100 peak 850 spectrum 1 weight 0.10000E+01 volume 0.12675E-02 ppm1 4.682 ppm2 3.886 CV 1
ASSI { 851}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HD3 ))
5.100 3.300 0.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.40886E-04 ppm1 4.683 ppm2 3.845 CV 1
ASSI { 853}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
2.500 0.800 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.26093E-02 ppm1 4.682 ppm2 2.376 CV 1
ASSI { 854}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 35 and name HG3 ))
3.200 1.300 1.300 peak 854 spectrum 1 weight 0.10000E+01 volume 0.81401E-03 ppm1 4.683 ppm2 2.150 CV 1
ASSI { 855}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
3.100 1.200 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.10259E-02 ppm1 4.683 ppm2 1.997 CV 1
ASSI { 858}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 35 and name HB2 ))
6.000 4.600 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.47205E-04 ppm1 4.680 ppm2 1.085 CV 1
ASSI { 859}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 6 and name HA2 ))
4.400 2.400 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.12117E-03 ppm1 4.637 ppm2 3.043 CV 1
ASSI { 860}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
2.500 0.800 0.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.28026E-02 ppm1 4.635 ppm2 1.795 CV 1
OR { 860}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
ASSI { 861}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG3 ))
3.400 1.500 1.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.46090E-03 ppm1 4.636 ppm2 1.642 CV 1
ASSI { 862}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG2 ))
3.200 1.300 1.300 peak 862 spectrum 1 weight 0.10000E+01 volume 0.86604E-03 ppm1 4.636 ppm2 1.554 CV 1
ASSI { 863}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 17 and name HA ))
3.900 1.900 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.19662E-03 ppm1 4.623 ppm2 4.184 CV 1
ASSI { 864}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HA2 ))
4.900 2.900 1.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.92920E-04 ppm1 4.623 ppm2 3.388 CV 1
ASSI { 866}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 17 and name HG1%)
3.300 1.300 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.64675E-03 ppm1 4.624 ppm2 0.628 CV 1
ASSI { 871}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 44 and name HG2%)
3.000 1.100 1.100 peak 871 spectrum 1 weight 0.10000E+01 volume 0.98131E-03 ppm1 4.610 ppm2 0.350 CV 1
ASSI { 872}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB2 ))
2.600 0.900 0.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 4.607 ppm2 3.216 CV 1
ASSI { 873}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 45 and name HB% )
5.400 3.700 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.41258E-04 ppm1 4.607 ppm2 1.166 CV 1
ASSI { 874}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB ))
2.800 1.000 1.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.15611E-02 ppm1 4.588 ppm2 1.990 CV 1
ASSI { 875}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 18 and name HB3 ))
5.100 3.300 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.51294E-04 ppm1 4.584 ppm2 2.329 CV 1
ASSI { 879}
(( segid " " and resid 11 and name HB ))
( segid " " and resid 11 and name HG2%)
2.500 0.800 0.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.26762E-02 ppm1 4.585 ppm2 1.336 CV 1
ASSI { 880}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HG1%)
2.600 0.900 0.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.26985E-02 ppm1 4.583 ppm2 0.962 CV 1
ASSI { 882}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB3 ))
2.700 0.900 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.19254E-02 ppm1 4.577 ppm2 2.872 CV 1
ASSI { 883}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 24 and name HG2%)
3.400 1.500 1.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.48692E-03 ppm1 4.574 ppm2 1.094 CV 1
ASSI { 885}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 31 and name HB2 ))
3.800 1.800 1.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.22265E-03 ppm1 4.573 ppm2 2.583 CV 1
ASSI { 887}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB2 ))
3.100 1.200 1.200 peak 887 spectrum 1 weight 0.10000E+01 volume 0.84371E-03 ppm1 4.549 ppm2 2.667 CV 1
ASSI { 890}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
1.900 1.900 4.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.14534E-01 ppm1 4.522 ppm2 2.972 CV 1
ASSI { 894}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
2.300 0.700 0.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.41630E-02 ppm1 4.516 ppm2 2.719 CV 1
ASSI { 898}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HG2%)
2.000 0.500 0.500 peak 898 spectrum 1 weight 0.10000E+01 volume 0.12564E-01 ppm1 4.513 ppm2 1.331 CV 1
ASSI { 899}
(( segid " " and resid 48 and name HA1 ))
(( segid " " and resid 48 and name HA2 ))
2.100 0.500 0.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.67277E-02 ppm1 4.510 ppm2 3.389 CV 1
ASSI { 901}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 42 and name HG2%)
4.200 2.200 1.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.15016E-03 ppm1 4.511 ppm2 0.914 CV 1
ASSI { 909}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 23 and name HB ))
2.000 2.000 4.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.15202E-01 ppm1 4.477 ppm2 2.220 CV 1
ASSI { 910}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
4.700 2.800 1.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.62445E-04 ppm1 4.473 ppm2 1.837 CV 1
ASSI { 911}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD3 ))
4.800 2.900 1.200 peak 911 spectrum 1 weight 0.10000E+01 volume 0.11076E-03 ppm1 4.454 ppm2 3.258 CV 1
ASSI { 914}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD3 ))
2.300 0.700 0.700 peak 914 spectrum 1 weight 0.10000E+01 volume 0.46833E-02 ppm1 4.448 ppm2 1.739 CV 1
ASSI { 915}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 9 and name HB% )
2.300 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.52781E-02 ppm1 4.448 ppm2 1.328 CV 1
ASSI { 917}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
3.100 1.200 1.200 peak 917 spectrum 1 weight 0.10000E+01 volume 0.85860E-03 ppm1 4.436 ppm2 1.603 CV 1
ASSI { 921}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 44 and name HG2%)
5.200 3.400 0.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.45718E-04 ppm1 5.223 ppm2 0.366 CV 1
ASSI { 922}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 922 spectrum 1 weight 0.10000E+01 volume 0.91063E-03 ppm1 5.214 ppm2 1.383 CV 1
ASSI { 923}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 24 and name HG2%)
4.400 2.500 1.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.13604E-03 ppm1 5.215 ppm2 1.091 CV 1
ASSI { 924}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 17 and name HG2%)
4.600 2.600 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.84371E-04 ppm1 5.217 ppm2 0.584 CV 1
ASSI { 925}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 45 and name HB% )
4.700 2.800 1.300 peak 925 spectrum 1 weight 0.10000E+01 volume 0.81773E-04 ppm1 5.203 ppm2 1.158 CV 1
ASSI { 928}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HD3 ))
4.200 2.200 1.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.13306E-03 ppm1 5.127 ppm2 3.047 CV 1
ASSI { 929}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HB3 ))
5.500 3.800 0.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.70993E-04 ppm1 5.124 ppm2 2.962 CV 1
ASSI { 931}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 27 and name HB3 ))
3.900 1.900 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.18845E-03 ppm1 5.120 ppm2 3.562 CV 1
ASSI { 932}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB3 ))
3.500 1.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.58356E-03 ppm1 5.120 ppm2 3.391 CV 1
ASSI { 933}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.800 1.000 1.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 5.119 ppm2 3.194 CV 1
ASSI { 934}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HD2 ))
4.800 2.900 1.200 peak 934 spectrum 1 weight 0.10000E+01 volume 0.10445E-03 ppm1 5.117 ppm2 1.109 CV 1
ASSI { 935}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 13 and name HB3 ))
4.500 2.500 1.500 peak 935 spectrum 1 weight 0.10000E+01 volume 0.95154E-04 ppm1 5.114 ppm2 2.002 CV 1
ASSI { 937}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
3.000 1.100 1.100 peak 937 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 5.061 ppm2 3.316 CV 1
ASSI { 940}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 1 and name HB% )
5.500 3.800 0.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.26502E-04 ppm1 5.042 ppm2 1.585 CV 1
ASSI { 941}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 42 and name HD1%)
5.400 3.600 0.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.37913E-04 ppm1 5.041 ppm2 0.630 CV 1
ASSI { 942}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
2.800 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 5.036 ppm2 2.454 CV 1
ASSI { 945}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 42 and name HG2%)
4.600 2.700 1.400 peak 945 spectrum 1 weight 0.10000E+01 volume 0.92920E-04 ppm1 5.037 ppm2 0.914 CV 1
ASSI { 946}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
2.700 0.900 0.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.16949E-02 ppm1 5.025 ppm2 3.047 CV 1
ASSI { 948}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB3 ))
2.900 1.100 1.100 peak 948 spectrum 1 weight 0.10000E+01 volume 0.12080E-02 ppm1 4.392 ppm2 3.151 CV 1
ASSI { 949}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB2 ))
3.200 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.73223E-03 ppm1 4.392 ppm2 2.596 CV 1
ASSI { 950}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.600 1.600 1.600 peak 950 spectrum 1 weight 0.10000E+01 volume 0.56126E-03 ppm1 4.391 ppm2 2.349 CV 1
ASSI { 951}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
2.800 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 4.372 ppm2 3.070 CV 1
ASSI { 954}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HG2 ))
6.000 4.700 0.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.21150E-04 ppm1 4.375 ppm2 2.264 CV 1
ASSI { 955}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HG3 ))
2.600 2.600 3.400 peak 955 spectrum 1 weight 0.10000E+01 volume 0.22525E-02 ppm1 4.363 ppm2 2.458 CV 1
ASSI { 959}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HG2 ))
4.100 2.100 1.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.17246E-03 ppm1 4.350 ppm2 2.302 CV 1
ASSI { 960}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.800 2.800 3.200 peak 960 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 4.353 ppm2 1.939 CV 1
ASSI { 962}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 1 and name HB% )
4.600 2.600 1.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.82888E-04 ppm1 4.347 ppm2 1.571 CV 1
ASSI { 972}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 30 and name HB2 ))
5.500 3.800 0.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.25684E-04 ppm1 4.272 ppm2 2.795 CV 1
ASSI { 975}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 31 and name HB3 ))
2.900 1.000 1.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 4.215 ppm2 2.998 CV 1
ASSI { 976}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 31 and name HB2 ))
3.100 1.200 1.200 peak 976 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 4.215 ppm2 2.570 CV 1
ASSI { 977}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
2.700 0.900 0.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.16837E-02 ppm1 4.214 ppm2 2.500 CV 1
ASSI { 981}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.400 0.700 0.700 peak 981 spectrum 1 weight 0.10000E+01 volume 0.42373E-02 ppm1 4.207 ppm2 2.004 CV 1
ASSI { 983}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG13))
3.200 1.300 1.300 peak 983 spectrum 1 weight 0.10000E+01 volume 0.90318E-03 ppm1 4.207 ppm2 1.660 CV 1
ASSI { 985}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HG1%)
2.400 0.700 0.700 peak 985 spectrum 1 weight 0.10000E+01 volume 0.40886E-02 ppm1 4.202 ppm2 0.595 CV 1
OR { 985}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HG2%)
ASSI { 987}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 42 and name HG2%)
2.900 1.000 1.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.12898E-02 ppm1 4.194 ppm2 0.911 CV 1
ASSI { 991}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG12))
3.700 1.700 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.35422E-03 ppm1 4.191 ppm2 1.323 CV 1
ASSI { 994}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB ))
2.900 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.11597E-02 ppm1 4.185 ppm2 1.780 CV 1
ASSI { 997}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HB2 ))
5.700 4.100 0.300 peak 997 spectrum 1 weight 0.10000E+01 volume 0.19477E-04 ppm1 4.161 ppm2 0.764 CV 1
ASSI { 999}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 47 and name HE% )
3.900 1.900 1.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.23454E-03 ppm1 4.149 ppm2 1.873 CV 1
ASSI { 1001}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 42 and name HG2%)
6.000 6.000 0.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.68392E-05 ppm1 4.145 ppm2 0.909 CV 1
ASSI { 1009}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 37 and name HG2 ))
3.600 3.600 2.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.33527E-03 ppm1 4.133 ppm2 2.280 CV 1
ASSI { 1014}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 37 and name HB3 ))
4.500 2.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.10445E-03 ppm1 4.134 ppm2 2.080 CV 1
ASSI { 1016}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 42 and name HB ))
3.600 1.700 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.47949E-03 ppm1 4.135 ppm2 1.932 CV 1
ASSI { 1017}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 47 and name HE% )
4.300 2.300 1.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.12712E-03 ppm1 4.133 ppm2 1.871 CV 1
ASSI { 1021}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 45 and name HB% )
2.900 1.100 1.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.10705E-02 ppm1 4.132 ppm2 1.165 CV 1
ASSI { 1023}
(( segid " " and resid 1 and name HA ))
( segid " " and resid 1 and name HB% )
3.900 1.900 1.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.19068E-03 ppm1 4.119 ppm2 1.599 CV 1
ASSI { 1037}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG2%)
2.700 0.900 0.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 4.100 ppm2 1.090 CV 1
ASSI { 1042}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG3 ))
4.000 2.000 2.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.29290E-03 ppm1 4.087 ppm2 1.416 CV 1
ASSI { 1043}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.900 1.100 1.100 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 4.089 ppm2 0.976 CV 1
ASSI { 1044}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.800 1.000 1.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.15649E-02 ppm1 4.089 ppm2 0.748 CV 1
ASSI { 1045}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 17 and name HG1%)
5.400 3.700 0.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.33639E-04 ppm1 4.087 ppm2 0.625 CV 1
OR { 1045}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 17 and name HG2%)
ASSI { 1046}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 17 and name HG2%)
4.900 3.000 1.100 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.72481E-04 ppm1 4.088 ppm2 0.589 CV 1
ASSI { 1065}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 39 and name HB2 ))
3.400 1.500 1.500 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.45347E-03 ppm1 3.998 ppm2 2.464 CV 1
ASSI { 1067}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG3 ))
2.500 0.800 0.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.27840E-02 ppm1 3.991 ppm2 2.148 CV 1
ASSI { 1068}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB3 ))
2.600 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.20852E-02 ppm1 3.994 ppm2 1.868 CV 1
ASSI { 1071}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 42 and name HG2%)
3.500 3.500 2.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.52037E-03 ppm1 3.994 ppm2 0.912 CV 1
ASSI { 1073}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 6 and name HA2 ))
2.100 0.500 0.500 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.65790E-02 ppm1 3.988 ppm2 3.045 CV 1
ASSI { 1074}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB2 ))
2.400 0.700 0.700 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.43116E-02 ppm1 3.984 ppm2 1.988 CV 1
ASSI { 1076}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HB2 ))
3.000 1.100 1.100 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.79542E-03 ppm1 3.978 ppm2 3.155 CV 1
ASSI { 1077}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB3 ))
2.400 0.700 0.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.35757E-02 ppm1 3.963 ppm2 2.194 CV 1
ASSI { 1078}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 18 and name HB2 ))
4.400 2.400 1.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.10370E-03 ppm1 3.964 ppm2 1.410 CV 1
ASSI { 1079}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.200 1.200 1.200 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.14979E-02 ppm1 3.958 ppm2 2.386 CV 1
ASSI { 1080}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 24 and name HG2%)
2.600 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.26725E-02 ppm1 3.962 ppm2 1.089 CV 1
ASSI { 1082}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HB2 ))
6.000 5.300 0.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.23789E-04 ppm1 3.952 ppm2 2.582 CV 1
ASSI { 1084}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 16 and name HB2 ))
4.300 2.400 1.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.97011E-04 ppm1 3.956 ppm2 0.756 CV 1
ASSI { 1093}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HG3 ))
3.000 1.100 1.100 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 3.591 ppm2 1.891 CV 1
ASSI { 1094}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
3.300 1.400 1.400 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.73596E-03 ppm1 3.585 ppm2 2.181 CV 1
ASSI { 1096}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 33 and name HB% )
4.100 2.100 1.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.17098E-03 ppm1 3.583 ppm2 1.320 CV 1
ASSI { 1100}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
2.900 1.100 1.100 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 3.582 ppm2 1.633 CV 1
ASSI { 1107}
(( segid " " and resid 3 and name HB3 ))
( segid " " and resid 1 and name HB% )
5.500 3.800 0.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.29661E-04 ppm1 3.531 ppm2 1.577 CV 1
ASSI { 1112}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 42 and name HB ))
3.900 1.900 1.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.15834E-03 ppm1 3.479 ppm2 1.904 CV 1
ASSI { 1117}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB ))
3.300 1.300 1.300 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.62445E-03 ppm1 3.475 ppm2 1.426 CV 1
ASSI { 1118}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 45 and name HB% )
3.800 1.800 1.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.53896E-03 ppm1 3.476 ppm2 1.166 CV 1
ASSI { 1119}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 17 and name HG2%)
3.100 1.200 1.200 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.80658E-03 ppm1 3.475 ppm2 0.591 CV 1
ASSI { 1120}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 44 and name HG2%)
2.700 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.20666E-02 ppm1 3.476 ppm2 0.350 CV 1
ASSI { 1121}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HG12))
3.000 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.12749E-02 ppm1 3.476 ppm2 -0.608 CV 1
ASSI { 1131}
(( segid " " and resid 48 and name HA2 ))
(( segid " " and resid 16 and name HB2 ))
4.400 2.500 1.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.22153E-03 ppm1 3.387 ppm2 0.755 CV 1
ASSI { 1139}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HB3 ))
3.600 1.600 1.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.30107E-03 ppm1 3.258 ppm2 2.167 CV 1
ASSI { 1141}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 45 and name HB% )
4.800 2.900 1.200 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.10296E-03 ppm1 3.231 ppm2 1.153 CV 1
ASSI { 1148}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB2 ))
2.800 1.000 1.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.15054E-02 ppm1 3.198 ppm2 1.769 CV 1
OR { 1148}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB3 ))
ASSI { 1149}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HG3 ))
3.000 1.100 1.100 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.11188E-02 ppm1 3.199 ppm2 1.647 CV 1
ASSI { 1154}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 35 and name HB3 ))
5.600 4.000 0.400 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.31817E-04 ppm1 3.103 ppm2 1.910 CV 1
ASSI { 1155}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HB2 ))
2.900 1.000 1.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.15128E-02 ppm1 3.096 ppm2 1.634 CV 1
ASSI { 1156}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HB3 ))
2.800 1.000 1.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.16057E-02 ppm1 3.094 ppm2 2.183 CV 1
ASSI { 1157}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HG2 ))
2.100 0.600 0.600 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.52781E-02 ppm1 3.094 ppm2 2.033 CV 1
ASSI { 1158}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 42 and name HD1%)
3.100 3.100 2.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.78427E-03 ppm1 3.088 ppm2 0.622 CV 1
ASSI { 1159}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 42 and name HG2%)
3.000 1.100 1.100 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 3.057 ppm2 0.913 CV 1
ASSI { 1160}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 23 and name HG1%)
3.100 1.200 1.200 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.81401E-03 ppm1 3.056 ppm2 0.715 CV 1
ASSI { 1161}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HG3 ))
2.600 0.900 0.900 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.17470E-02 ppm1 3.049 ppm2 1.417 CV 1
ASSI { 1162}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HD2 ))
2.100 0.600 0.600 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.57241E-02 ppm1 3.049 ppm2 1.111 CV 1
ASSI { 1163}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HB3 ))
3.000 1.100 1.100 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.89206E-03 ppm1 3.049 ppm2 0.970 CV 1
ASSI { 1169}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 44 and name HD1%)
4.400 2.400 1.600 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.10854E-03 ppm1 2.983 ppm2 0.342 CV 1
OR { 1169}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 44 and name HG2%)
ASSI { 1170}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 13 and name HG2 ))
4.800 2.800 1.200 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.93296E-04 ppm1 2.970 ppm2 2.237 CV 1
ASSI { 1176}
(( segid " " and resid 8 and name HE3 ))
(( segid " " and resid 8 and name HG3 ))
2.700 0.900 0.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 2.914 ppm2 1.328 CV 1
ASSI { 1177}
(( segid " " and resid 8 and name HE3 ))
(( segid " " and resid 8 and name HD3 ))
3.900 1.900 1.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.23751E-03 ppm1 2.910 ppm2 1.740 CV 1
ASSI { 1178}
(( segid " " and resid 8 and name HE3 ))
(( segid " " and resid 8 and name HB3 ))
3.000 3.000 3.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.12006E-02 ppm1 2.911 ppm2 1.564 CV 1
ASSI { 1181}
(( segid " " and resid 25 and name HB3 ))
( segid " " and resid 17 and name HG2%)
2.200 0.600 0.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.60958E-02 ppm1 2.871 ppm2 0.587 CV 1
ASSI { 1183}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 17 and name HG2%)
2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.24532E-02 ppm1 2.818 ppm2 0.589 CV 1
ASSI { 1184}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 42 and name HG2%)
3.000 1.100 1.100 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.79915E-03 ppm1 2.806 ppm2 0.912 CV 1
ASSI { 1192}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 42 and name HD1%)
4.700 2.800 1.300 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.62816E-04 ppm1 2.723 ppm2 0.625 CV 1
ASSI { 1193}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 42 and name HB ))
4.200 2.200 1.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.16801E-03 ppm1 2.718 ppm2 1.932 CV 1
ASSI { 1194}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 42 and name HG2%)
3.200 1.300 1.300 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.60586E-03 ppm1 2.720 ppm2 0.912 CV 1
ASSI { 1195}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 23 and name HG1%)
3.900 1.900 1.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.33378E-03 ppm1 2.711 ppm2 0.712 CV 1
ASSI { 1196}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 44 and name HG12))
3.900 1.900 1.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.23640E-03 ppm1 1.778 ppm2 -0.604 CV 1
ASSI { 1197}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 44 and name HG12))
3.000 1.200 1.200 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.93296E-03 ppm1 1.426 ppm2 -0.609 CV 1
ASSI { 1198}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 44 and name HG12))
2.200 2.200 3.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.65790E-02 ppm1 0.585 ppm2 -0.608 CV 1
ASSI { 1200}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 44 and name HG12))
2.300 0.700 0.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.40886E-02 ppm1 0.350 ppm2 -0.609 CV 1
OR { 1200}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 44 and name HG12))
ASSI { 1201}
(( segid " " and resid 31 and name HB2 ))
( segid " " and resid 17 and name HG2%)
3.000 1.200 1.200 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.82516E-03 ppm1 2.573 ppm2 0.588 CV 1
ASSI { 1204}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 23 and name HG1%)
2.500 0.800 0.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.30367E-02 ppm1 2.220 ppm2 0.710 CV 1
ASSI { 1205}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 23 and name HG2%)
2.500 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.27282E-02 ppm1 2.219 ppm2 0.164 CV 1
ASSI { 1206}
(( segid " " and resid 35 and name HG3 ))
(( segid " " and resid 35 and name HB2 ))
2.900 1.100 1.100 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.19402E-02 ppm1 2.156 ppm2 1.086 CV 1
ASSI { 1207}
(( segid " " and resid 35 and name HG2 ))
( segid " " and resid 42 and name HD1%)
2.600 0.800 0.800 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.40143E-02 ppm1 2.027 ppm2 0.623 CV 1
ASSI { 1209}
(( segid " " and resid 5 and name HB ))
( segid " " and resid 5 and name HG1%)
2.200 0.600 0.600 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.57985E-02 ppm1 1.984 ppm2 0.960 CV 1
ASSI { 1210}
(( segid " " and resid 42 and name HB ))
( segid " " and resid 42 and name HG2%)
1.900 0.400 0.400 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.14794E-01 ppm1 1.952 ppm2 0.911 CV 1
ASSI { 1211}
(( segid " " and resid 42 and name HB ))
( segid " " and resid 42 and name HD1%)
2.800 1.000 1.000 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.13381E-02 ppm1 1.952 ppm2 0.623 CV 1
ASSI { 1212}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HB2 ))
2.100 0.500 0.500 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.58356E-02 ppm1 1.872 ppm2 1.085 CV 1
ASSI { 1215}
(( segid " " and resid 17 and name HB ))
( segid " " and resid 44 and name HG2%)
2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.16391E-02 ppm1 1.780 ppm2 0.350 CV 1
ASSI { 1216}
(( segid " " and resid 17 and name HB ))
( segid " " and resid 17 and name HG2%)
2.500 0.800 0.800 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.25201E-02 ppm1 1.778 ppm2 0.617 CV 1
OR { 1216}
(( segid " " and resid 17 and name HB ))
( segid " " and resid 17 and name HG1%)
ASSI { 1217}
(( segid " " and resid 17 and name HB ))
( segid " " and resid 17 and name HG2%)
2.500 0.800 0.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.29884E-02 ppm1 1.778 ppm2 0.591 CV 1
ASSI { 1218}
(( segid " " and resid 42 and name HG13))
( segid " " and resid 42 and name HG2%)
3.100 1.200 1.200 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.11634E-02 ppm1 1.644 ppm2 0.911 CV 1
ASSI { 1219}
(( segid " " and resid 42 and name HG13))
( segid " " and resid 42 and name HD1%)
2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.31000E-02 ppm1 1.644 ppm2 0.622 CV 1
ASSI { 1221}
(( segid " " and resid 44 and name HB ))
( segid " " and resid 44 and name HG2%)
2.300 0.600 0.600 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.52409E-02 ppm1 1.428 ppm2 0.349 CV 1
OR { 1221}
(( segid " " and resid 44 and name HB ))
( segid " " and resid 44 and name HD1%)
ASSI { 1222}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HD2 ))
2.800 1.000 1.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.21224E-02 ppm1 1.414 ppm2 1.103 CV 1
ASSI { 1223}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HB3 ))
2.800 1.000 1.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 1.414 ppm2 0.975 CV 1
ASSI { 1224}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HB2 ))
3.100 1.200 1.200 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.95898E-03 ppm1 1.413 ppm2 0.752 CV 1
ASSI { 1226}
(( segid " " and resid 42 and name HG12))
( segid " " and resid 42 and name HG2%)
3.000 1.100 1.100 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.90695E-03 ppm1 1.321 ppm2 0.911 CV 1
ASSI { 1227}
(( segid " " and resid 42 and name HG12))
( segid " " and resid 42 and name HD1%)
2.600 0.800 0.800 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.20666E-02 ppm1 1.321 ppm2 0.622 CV 1
ASSI { 1229}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
2.000 0.500 0.500 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.69135E-02 ppm1 2.350 ppm2 1.383 CV 1
ASSI { 1231}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HB2 ))
1.100 0.100 1.100 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.32077E+00 ppm1 2.186 ppm2 1.642 CV 1
ASSI { 1233}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 42 and name HG12))
2.700 0.900 0.900 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.19662E-02 ppm1 1.950 ppm2 1.318 CV 1
ASSI { 1234}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HG3 ))
3.300 1.400 1.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.69878E-03 ppm1 1.732 ppm2 1.321 CV 1
ASSI { 1235}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HG3 ))
1.600 1.600 4.400 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.43860E-01 ppm1 1.586 ppm2 1.324 CV 1
ASSI { 1236}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
1.000 1.000 5.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.52409E+00 ppm1 3.207 ppm2 2.575 CV 1
ASSI { 1237}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HB2 ))
2.000 0.500 0.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.81401E-02 ppm1 3.151 ppm2 2.594 CV 1
ASSI { 1238}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HB2 ))
2.200 0.600 0.600 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.46462E-02 ppm1 2.998 ppm2 2.573 CV 1
ASSI { 1239}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 31 and name HB2 ))
2.900 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 2.876 ppm2 2.571 CV 1
ASSI { 1240}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HB2 ))
2.300 0.600 0.600 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.41630E-02 ppm1 2.803 ppm2 2.452 CV 1
ASSI { 1242}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HB2 ))
2.000 0.500 0.500 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.79542E-02 ppm1 3.314 ppm2 2.803 CV 1
ASSI { 1246}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
2.200 0.600 0.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.45347E-02 ppm1 3.558 ppm2 3.154 CV 1
ASSI { 1247}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HB2 ))
2.000 0.500 0.500 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.72481E-02 ppm1 3.392 ppm2 3.195 CV 1
ASSI { 1248}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HB2 ))
2.000 0.500 0.500 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.70250E-02 ppm1 3.389 ppm2 3.069 CV 1
ASSI { 1251}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
2.700 0.900 0.900 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.21484E-02 ppm1 3.885 ppm2 2.062 CV 1
ASSI { 1252}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.27691E-02 ppm1 3.888 ppm2 1.945 CV 1
ASSI { 1254}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HB% )
2.400 0.700 0.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.34642E-02 ppm1 3.878 ppm2 1.319 CV 1
ASSI { 1255}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HG1%)
2.600 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 3.844 ppm2 0.710 CV 1
ASSI { 1256}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HG2%)
2.700 0.900 0.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.18436E-02 ppm1 3.845 ppm2 0.164 CV 1
ASSI { 1257}
(( segid " " and resid 40 and name HD3 ))
(( segid " " and resid 40 and name HB2 ))
3.200 1.300 1.300 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 3.837 ppm2 2.002 CV 1
ASSI { 1258}
(( segid " " and resid 40 and name HD3 ))
(( segid " " and resid 40 and name HG3 ))
2.500 0.800 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.23937E-02 ppm1 3.838 ppm2 1.891 CV 1
ASSI { 1259}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HB3 ))
3.100 1.200 1.200 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.18176E-02 ppm1 3.770 ppm2 1.872 CV 1
ASSI { 1260}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HB2 ))
3.300 3.300 2.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.45718E-03 ppm1 3.771 ppm2 1.084 CV 1
ASSI { 1266}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HG2 ))
2.100 0.600 0.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.54639E-02 ppm1 2.462 ppm2 2.223 CV 1
ASSI { 1268}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 42 and name HG13))
1.500 1.500 4.500 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.47577E-01 ppm1 1.952 ppm2 1.633 CV 1
ASSI { 1269}
(( segid " " and resid 44 and name HG12))
(( segid " " and resid 46 and name HN ))
5.100 3.300 0.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.59471E-04 ppm1 -0.598 ppm2 7.249 CV 1
ASSI { 1271}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HZ3 ))
2.400 0.700 0.700 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.44232E-02 ppm1 7.769 ppm2 7.060 CV 1
ASSI { 1279}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 31 and name HZ ))
4.500 2.500 1.500 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.10333E-03 ppm1 9.789 ppm2 6.670 CV 1
ASSI { 1281}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 31 and name HE% )
3.700 1.700 1.700 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.29921E-03 ppm1 9.787 ppm2 6.907 CV 1
ASSI { 1282}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 25 and name HD% )
3.100 1.200 1.200 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.70250E-03 ppm1 9.680 ppm2 7.043 CV 1
ASSI { 1284}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 31 and name HD% )
4.700 2.800 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.64303E-04 ppm1 9.679 ppm2 6.734 CV 1
ASSI { 1295}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HD1 ))
4.600 2.600 1.400 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.99244E-04 ppm1 8.958 ppm2 7.242 CV 1
ASSI { 1300}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 31 and name HZ ))
4.100 2.100 1.900 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.16280E-03 ppm1 8.836 ppm2 6.670 CV 1
ASSI { 1310}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 34 and name HE22))
4.800 2.900 1.200 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.59471E-04 ppm1 8.552 ppm2 6.893 CV 1
ASSI { 1332}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 34 and name HN ))
4.700 2.800 1.300 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.64675E-04 ppm1 7.839 ppm2 7.182 CV 1
ASSI { 1335}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 7 and name HN ))
2.700 0.900 0.900 peak 1335 spectrum 1 weight 0.11000E+01 volume 0.28472E-02 ppm1 3.982 ppm2 8.775 CV 1
ASSI { 1336}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 7 and name HN ))
2.100 0.600 0.600 peak 1336 spectrum 1 weight 0.11000E+01 volume 0.70993E-02 ppm1 3.045 ppm2 8.781 CV 1
ASSI { 1339}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.600 0.900 0.900 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.23268E-02 ppm1 5.060 ppm2 8.281 CV 1
ASSI { 1341}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 12 and name HN ))
3.300 1.300 1.300 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.78800E-03 ppm1 4.584 ppm2 8.592 CV 1
ASSI { 1342}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.100 0.600 0.600 peak 1342 spectrum 1 weight 0.11000E+01 volume 0.79915E-02 ppm1 4.202 ppm2 8.833 CV 1
ASSI { 1343}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.400 0.700 0.700 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.39400E-02 ppm1 5.120 ppm2 8.964 CV 1
ASSI { 1346}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 47 and name HN ))
5.600 4.000 0.400 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.34196E-04 ppm1 4.180 ppm2 9.096 CV 1
ASSI { 1347}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.400 0.700 0.700 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.34827E-02 ppm1 5.214 ppm2 9.678 CV 1
ASSI { 1348}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 25 and name HN ))
3.400 1.400 1.400 peak 1348 spectrum 1 weight 0.11000E+01 volume 0.44603E-03 ppm1 5.215 ppm2 9.531 CV 1
ASSI { 1350}
(( segid " " and resid 19 and name HA2 ))
(( segid " " and resid 44 and name HA ))
3.800 1.800 1.800 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.88093E-03 ppm1 4.740 ppm2 3.477 CV 1
ASSI { 1352}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.18287E-02 ppm1 4.139 ppm2 8.823 CV 1
ASSI { 1357}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 25 and name HN ))
4.100 2.100 1.900 peak 1357 spectrum 1 weight 0.11000E+01 volume 0.26874E-03 ppm1 4.109 ppm2 9.531 CV 1
ASSI { 1358}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.400 0.700 0.700 peak 1358 spectrum 1 weight 0.11000E+01 volume 0.33712E-02 ppm1 4.577 ppm2 9.307 CV 1
ASSI { 1359}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 19 and name HN ))
3.900 1.900 1.900 peak 1359 spectrum 1 weight 0.11000E+01 volume 0.31000E-03 ppm1 9.531 ppm2 9.681 CV 1
ASSI { 1361}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
3.800 1.800 1.800 peak 1361 spectrum 1 weight 0.11000E+01 volume 0.26427E-03 ppm1 3.696 ppm2 7.343 CV 1
ASSI { 1362}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HD21))
4.500 2.500 1.500 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.19960E-03 ppm1 5.453 ppm2 8.120 CV 1
ASSI { 1363}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HD2 ))
3.500 1.600 1.600 peak 1363 spectrum 1 weight 0.11000E+01 volume 0.43116E-03 ppm1 5.451 ppm2 3.987 CV 1
ASSI { 1365}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HD22))
4.100 2.100 1.900 peak 1365 spectrum 1 weight 0.11000E+01 volume 0.30925E-03 ppm1 3.164 ppm2 6.293 CV 1
ASSI { 1366}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HD21))
2.700 0.900 0.900 peak 1366 spectrum 1 weight 0.11000E+01 volume 0.15871E-02 ppm1 3.562 ppm2 8.119 CV 1
ASSI { 1367}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HD22))
3.500 1.500 1.500 peak 1367 spectrum 1 weight 0.11000E+01 volume 0.80286E-03 ppm1 3.565 ppm2 6.292 CV 1
ASSI { 1368}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
3.700 1.700 1.700 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.28806E-03 ppm1 4.513 ppm2 7.853 CV 1
ASSI { 1369}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.28917E-03 ppm1 3.210 ppm2 8.666 CV 1
ASSI { 1370}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
3.900 1.900 1.900 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.22747E-03 ppm1 3.772 ppm2 7.981 CV 1
ASSI { 1371}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
3.500 1.600 1.600 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.43116E-03 ppm1 3.879 ppm2 7.177 CV 1
ASSI { 1372}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
3.400 1.400 1.400 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.55011E-03 ppm1 3.580 ppm2 7.709 CV 1
ASSI { 1373}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
3.100 3.100 2.900 peak 1373 spectrum 1 weight 0.11000E+01 volume 0.92920E-03 ppm1 3.989 ppm2 8.292 CV 1
ASSI { 1374}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HD2 ))
2.700 0.900 0.900 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.16801E-02 ppm1 5.039 ppm2 3.584 CV 1
ASSI { 1375}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HD3 ))
2.800 1.000 1.000 peak 1375 spectrum 1 weight 0.11000E+01 volume 0.19849E-02 ppm1 5.028 ppm2 3.842 CV 1
ASSI { 1376}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
3.300 1.400 1.400 peak 1376 spectrum 1 weight 0.11000E+01 volume 0.59471E-03 ppm1 4.711 ppm2 7.263 CV 1
ASSI { 1377}
( segid " " and resid 42 and name HG2%)
( segid " " and resid 31 and name HD% )
5.900 5.900 0.100 peak 1377 spectrum 1 weight 0.11000E+01 volume 0.11671E-04 ppm1 0.911 ppm2 6.736 CV 1
ASSI { 1378}
( segid " " and resid 42 and name HG2%)
( segid " " and resid 31 and name HE% )
3.700 1.700 1.700 peak 1378 spectrum 1 weight 0.11000E+01 volume 0.43488E-03 ppm1 0.911 ppm2 6.903 CV 1
ASSI { 1379}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 31 and name HZ ))
3.900 1.900 1.900 peak 1379 spectrum 1 weight 0.11000E+01 volume 0.37170E-03 ppm1 0.911 ppm2 6.671 CV 1
ASSI { 1380}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HN ))
3.100 1.200 1.200 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.85860E-03 ppm1 1.173 ppm2 8.843 CV 1
ASSI { 1382}
(( segid " " and resid 44 and name HG12))
( segid " " and resid 31 and name HD% )
3.800 1.800 1.800 peak 1382 spectrum 1 weight 0.11000E+01 volume 0.18027E-03 ppm1 -0.599 ppm2 6.738 CV 1
ASSI { 1383}
(( segid " " and resid 44 and name HG12))
( segid " " and resid 31 and name HE% )
3.600 1.600 1.600 peak 1383 spectrum 1 weight 0.11000E+01 volume 0.37541E-03 ppm1 -0.605 ppm2 6.903 CV 1
ASSI { 1384}
(( segid " " and resid 44 and name HG12))
(( segid " " and resid 31 and name HZ ))
3.200 1.200 1.200 peak 1384 spectrum 1 weight 0.11000E+01 volume 0.11002E-02 ppm1 -0.609 ppm2 6.670 CV 1
ASSI { 1386}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 18 and name HN ))
3.400 3.400 2.600 peak 1386 spectrum 1 weight 0.11000E+01 volume 0.59100E-03 ppm1 4.623 ppm2 8.247 CV 1
ASSI { 3}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
2.500 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.33988E-02 ppm1 7.240 ppm2 9.195 CV 1
ASSI { 9}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA ))
2.800 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.19377E-02 ppm1 7.240 ppm2 4.604 CV 1
ASSI { 10}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10705E-02 ppm1 7.239 ppm2 4.195 CV 1
ASSI { 12}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB3 ))
3.600 1.600 1.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.44472E-03 ppm1 7.239 ppm2 3.813 CV 1
ASSI { 14}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 44 and name HA ))
4.000 2.000 2.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.39389E-03 ppm1 7.240 ppm2 3.465 CV 1
ASSI { 15}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
6.000 5.200 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.17916E-04 ppm1 7.240 ppm2 3.192 CV 1
ASSI { 17}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.74966E-03 ppm1 7.240 ppm2 2.347 CV 1
ASSI { 18}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 17 and name HB ))
4.700 2.800 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10864E-03 ppm1 7.239 ppm2 1.795 CV 1
ASSI { 19}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 45 and name HB% )
2.400 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.50507E-02 ppm1 7.240 ppm2 1.168 CV 1
ASSI { 20}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 17 and name HG1%)
5.100 3.300 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.66707E-04 ppm1 7.240 ppm2 0.642 CV 1
ASSI { 21}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 44 and name HG2%)
2.600 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28875E-02 ppm1 7.240 ppm2 0.353 CV 1
ASSI { 28}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 31 and name HE% )
4.400 2.400 1.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.94660E-04 ppm1 9.202 ppm2 6.890 CV 1
ASSI { 44}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 49 and name HN ))
6.000 5.400 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.15406E-04 ppm1 10.315 ppm2 8.260 CV 1
ASSI { 46}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HE3 ))
6.000 4.500 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.22331E-04 ppm1 10.321 ppm2 7.798 CV 1
ASSI { 49}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HD1 ))
2.300 0.700 0.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.66071E-02 ppm1 10.311 ppm2 7.223 CV 1
ASSI { 53}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HD% )
3.400 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.65118E-03 ppm1 8.933 ppm2 7.105 CV 1
ASSI { 60}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HN ))
3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 7.749 ppm2 9.682 CV 1
ASSI { 67}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
3.600 1.600 1.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.64166E-03 ppm1 8.521 ppm2 8.864 CV 1
ASSI { 79}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HA ))
2.300 2.300 3.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.11245E-01 ppm1 8.523 ppm2 4.524 CV 1
ASSI { 87}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HE3 ))
6.000 5.600 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.17947E-04 ppm1 8.843 ppm2 7.771 CV 1
ASSI { 89}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HD1 ))
4.400 2.400 1.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.22617E-03 ppm1 8.843 ppm2 7.209 CV 1
ASSI { 90}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 15 and name HE% )
6.000 4.900 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.15978E-04 ppm1 8.844 ppm2 6.789 CV 1
ASSI { 93}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.900 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 8.843 ppm2 5.111 CV 1
ASSI { 96}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HN ))
3.400 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.81319E-03 ppm1 8.446 ppm2 8.786 CV 1
ASSI { 104}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.200 0.600 0.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.83225E-02 ppm1 8.446 ppm2 4.603 CV 1
ASSI { 117}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.300 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.55589E-02 ppm1 8.350 ppm2 4.427 CV 1
ASSI { 124}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 35 and name HE22))
4.200 2.200 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17852E-03 ppm1 7.757 ppm2 7.015 CV 1
ASSI { 126}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HA2 ))
2.900 1.000 1.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16422E-02 ppm1 7.749 ppm2 4.722 CV 1
ASSI { 133}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 34 and name HE21))
3.700 1.700 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.47648E-03 ppm1 8.755 ppm2 7.944 CV 1
ASSI { 134}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HE ))
6.000 6.000 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.51460E-05 ppm1 8.756 ppm2 7.173 CV 1
ASSI { 144}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 19 and name HN ))
3.900 1.900 1.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.49553E-03 ppm1 8.348 ppm2 9.683 CV 1
ASSI { 163}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 18 and name HA ))
3.900 1.900 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.35259E-03 ppm1 8.368 ppm2 5.202 CV 1
ASSI { 164}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 24 and name HA ))
3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.86086E-03 ppm1 8.368 ppm2 4.767 CV 1
ASSI { 170}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 46 and name HE1 ))
6.000 5.900 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.11785E-04 ppm1 8.240 ppm2 8.724 CV 1
ASSI { 180}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.21728E-02 ppm1 8.198 ppm2 4.771 CV 1
ASSI { 181}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 50 and name HA ))
6.000 6.000 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.51142E-05 ppm1 8.196 ppm2 4.425 CV 1
ASSI { 192}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.23411E-02 ppm1 8.233 ppm2 5.211 CV 1
ASSI { 200}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
2.900 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16709E-02 ppm1 7.938 ppm2 8.640 CV 1
ASSI { 201}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 29 and name HN ))
4.000 2.000 2.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.15597E-03 ppm1 7.939 ppm2 8.287 CV 1
ASSI { 209}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 30 and name HA ))
3.200 1.300 1.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.95296E-03 ppm1 7.938 ppm2 4.506 CV 1
ASSI { 235}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 34 and name HE22))
5.100 3.300 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.56542E-04 ppm1 8.350 ppm2 6.904 CV 1
ASSI { 248}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 38 and name HA ))
5.700 4.000 0.300 peak 248 spectrum 1 weight 0.10000E+01 volume 0.32083E-04 ppm1 8.355 ppm2 5.061 CV 1
ASSI { 251}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.300 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.66389E-02 ppm1 8.349 ppm2 4.534 CV 1
ASSI { 289}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 27 and name HD22))
5.700 4.100 0.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.26016E-04 ppm1 8.115 ppm2 6.298 CV 1
ASSI { 296}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.700 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.23824E-02 ppm1 8.106 ppm2 5.068 CV 1
ASSI { 300}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.200 0.600 0.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.89264E-02 ppm1 8.107 ppm2 4.451 CV 1
ASSI { 306}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
2.800 1.000 1.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.18646E-02 ppm1 8.660 ppm2 7.837 CV 1
ASSI { 307}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 12 and name HE ))
2.700 2.700 3.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16581E-02 ppm1 8.660 ppm2 7.282 CV 1
ASSI { 308}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.21124E-02 ppm1 8.660 ppm2 8.261 CV 1
ASSI { 320}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 8.118 ppm2 8.579 CV 1
ASSI { 331}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 37 and name HE21))
4.300 2.300 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.14739E-03 ppm1 7.677 ppm2 8.009 CV 1
ASSI { 334}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 40 and name HA ))
5.600 3.900 0.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.61942E-04 ppm1 7.675 ppm2 4.677 CV 1
ASSI { 335}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.500 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 7.676 ppm2 3.980 CV 1
ASSI { 351}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 25 and name HD% )
6.000 4.900 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.14167E-04 ppm1 7.834 ppm2 7.071 CV 1
ASSI { 353}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 27 and name HA ))
6.000 5.800 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.64801E-05 ppm1 7.837 ppm2 5.432 CV 1
ASSI { 354}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
4.200 2.200 1.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.26270E-03 ppm1 8.201 ppm2 9.534 CV 1
ASSI { 355}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 28 and name HA ))
2.900 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.16295E-02 ppm1 7.834 ppm2 4.212 CV 1
ASSI { 374}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 20 and name HN ))
6.000 4.600 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.20489E-04 ppm1 8.478 ppm2 9.776 CV 1
ASSI { 398}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 45 and name HN ))
4.500 2.500 1.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.17280E-03 ppm1 8.816 ppm2 9.167 CV 1
ASSI { 399}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
2.600 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.31035E-02 ppm1 8.818 ppm2 8.442 CV 1
ASSI { 403}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 31 and name HE% )
6.000 5.000 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.16867E-04 ppm1 8.820 ppm2 6.912 CV 1
ASSI { 412}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 12 and name HE ))
4.500 2.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.13818E-03 ppm1 8.271 ppm2 7.296 CV 1
ASSI { 413}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HD22))
6.000 5.700 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.11976E-04 ppm1 8.271 ppm2 6.286 CV 1
ASSI { 414}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HA ))
4.400 2.400 1.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.14612E-03 ppm1 8.272 ppm2 5.452 CV 1
ASSI { 432}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HE1 ))
6.000 6.000 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.12579E-04 ppm1 9.095 ppm2 8.741 CV 1
ASSI { 433}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HN ))
4.000 2.000 2.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.36848E-03 ppm1 9.090 ppm2 8.170 CV 1
ASSI { 434}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HN ))
3.900 1.900 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.32083E-03 ppm1 9.090 ppm2 7.233 CV 1
ASSI { 437}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HN ))
4.300 2.300 1.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.15978E-03 ppm1 7.149 ppm2 8.683 CV 1
ASSI { 439}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
2.600 0.800 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.32719E-02 ppm1 7.150 ppm2 7.936 CV 1
ASSI { 440}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.36848E-02 ppm1 7.150 ppm2 7.677 CV 1
ASSI { 444}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 30 and name HA ))
4.400 2.400 1.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.13564E-03 ppm1 7.148 ppm2 4.524 CV 1
ASSI { 446}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
3.000 1.100 1.100 peak 446 spectrum 1 weight 0.10000E+01 volume 0.12452E-02 ppm1 7.149 ppm2 3.597 CV 1
ASSI { 458}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HA ))
6.000 6.000 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.76871E-05 ppm1 9.300 ppm2 5.466 CV 1
ASSI { 463}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 4 and name HN ))
5.200 3.400 0.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.33988E-04 ppm1 7.801 ppm2 8.345 CV 1
ASSI { 472}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HA ))
3.600 1.600 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.48919E-03 ppm1 7.796 ppm2 4.692 CV 1
ASSI { 473}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 37 and name HA ))
5.900 4.400 0.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.14993E-04 ppm1 7.807 ppm2 4.360 CV 1
ASSI { 475}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 7.804 ppm2 3.981 CV 1
ASSI { 483}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HN ))
5.300 3.500 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.72425E-04 ppm1 7.247 ppm2 8.836 CV 1
ASSI { 485}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HN ))
2.500 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 7.246 ppm2 8.182 CV 1
ASSI { 486}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HN ))
4.300 2.300 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.10737E-03 ppm1 7.247 ppm2 7.786 CV 1
ASSI { 489}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 31 and name HZ ))
6.000 4.900 0.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.21982E-04 ppm1 7.247 ppm2 6.687 CV 1
ASSI { 493}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HA ))
5.700 4.100 0.300 peak 493 spectrum 1 weight 0.10000E+01 volume 0.31638E-04 ppm1 7.245 ppm2 5.024 CV 1
ASSI { 495}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
2.900 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.16899E-02 ppm1 7.246 ppm2 4.170 CV 1
ASSI { 502}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HN ))
4.900 3.000 1.100 peak 502 spectrum 1 weight 0.10000E+01 volume 0.72742E-04 ppm1 8.633 ppm2 8.281 CV 1
ASSI { 505}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 31 and name HD% )
5.000 3.100 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.62577E-04 ppm1 8.676 ppm2 6.741 CV 1
ASSI { 512}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 21 and name HN ))
4.800 2.800 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.10260E-03 ppm1 9.673 ppm2 8.802 CV 1
ASSI { 513}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
4.000 2.000 2.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.33671E-03 ppm1 9.677 ppm2 8.269 CV 1
ASSI { 539}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 34 and name HE22))
3.800 1.800 1.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.31448E-03 ppm1 8.844 ppm2 6.895 CV 1
ASSI { 559}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.500 0.800 0.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.44154E-02 ppm1 7.711 ppm2 5.025 CV 1
ASSI { 577}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 14 and name HE3 ))
3.900 1.900 1.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.18106E-03 ppm1 8.118 ppm2 7.770 CV 1
ASSI { 579}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 27 and name HN ))
5.500 3.700 0.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.44154E-04 ppm1 8.116 ppm2 7.328 CV 1
ASSI { 580}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 12 and name HE ))
6.000 4.600 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.19282E-04 ppm1 8.110 ppm2 7.245 CV 1
ASSI { 587}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 14 and name HA ))
6.000 4.800 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.16327E-04 ppm1 8.115 ppm2 5.122 CV 1
ASSI { 590}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 11 and name HA ))
3.400 1.400 1.400 peak 590 spectrum 1 weight 0.10000E+01 volume 0.86721E-03 ppm1 8.120 ppm2 4.492 CV 1
ASSI { 591}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 12 and name HA ))
3.400 3.400 2.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.43518E-03 ppm1 8.114 ppm2 4.461 CV 1
ASSI { 640}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 8 and name HN ))
2.400 2.400 3.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.58448E-02 ppm1 8.844 ppm2 8.468 CV 1
ASSI { 685}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HA ))
6.000 6.000 0.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.50507E-06 ppm1 8.354 ppm2 5.230 CV 1
ASSI { 686}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 25 and name HA ))
4.400 2.400 1.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.15978E-03 ppm1 8.356 ppm2 4.589 CV 1
ASSI { 697}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 20 and name HN ))
2.700 0.900 0.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.25476E-02 ppm1 8.837 ppm2 9.768 CV 1
ASSI { 699}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 45 and name HN ))
6.000 4.500 0.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.24459E-04 ppm1 8.837 ppm2 9.187 CV 1
ASSI { 700}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HN ))
3.700 1.700 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.44472E-03 ppm1 8.854 ppm2 8.492 CV 1
ASSI { 703}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 31 and name HE% )
4.300 2.300 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.15501E-03 ppm1 8.836 ppm2 6.891 CV 1
ASSI { 724}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HN ))
3.600 1.600 1.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.29097E-03 ppm1 8.189 ppm2 7.830 CV 1
ASSI { 731}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HA ))
5.000 3.200 1.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.61942E-04 ppm1 8.188 ppm2 5.028 CV 1
ASSI { 766}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 14 and name HZ2 ))
6.000 4.900 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.19218E-04 ppm1 8.252 ppm2 7.486 CV 1
ASSI { 771}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 27 and name HD22))
4.300 2.300 1.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.14929E-03 ppm1 8.240 ppm2 6.294 CV 1
ASSI { 784}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA1 ))
2.400 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.41295E-02 ppm1 8.251 ppm2 4.503 CV 1
ASSI { 792}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 30 and name HD22))
1.700 0.400 0.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.28112E-01 ppm1 7.440 ppm2 7.236 CV 1
ASSI { 797}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 30 and name HA ))
3.700 1.700 1.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.28525E-03 ppm1 7.441 ppm2 4.505 CV 1
ASSI { 802}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 26 and name HN ))
4.300 2.300 1.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.15088E-03 ppm1 7.214 ppm2 9.321 CV 1
ASSI { 804}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 30 and name HN ))
4.100 2.100 1.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.51460E-03 ppm1 7.213 ppm2 8.656 CV 1
ASSI { 805}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 10 and name HN ))
3.500 3.500 2.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.36213E-03 ppm1 7.214 ppm2 8.141 CV 1
ASSI { 817}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 34 and name HA ))
5.300 3.500 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.77189E-04 ppm1 7.212 ppm2 3.599 CV 1
ASSI { 818}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 10 and name HB3 ))
4.500 2.500 1.500 peak 818 spectrum 1 weight 0.10000E+01 volume 0.80366E-04 ppm1 7.215 ppm2 3.328 CV 1
ASSI { 847}
(( segid " " and resid 35 and name HE21))
(( segid " " and resid 19 and name HA2 ))
3.500 1.600 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.42565E-03 ppm1 7.706 ppm2 4.733 CV 1
ASSI { 902}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HA ))
5.100 3.300 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.87357E-04 ppm1 7.612 ppm2 5.020 CV 1
ASSI { 904}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.900 1.000 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.17026E-02 ppm1 7.604 ppm2 4.368 CV 1
ASSI { 917}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 5 and name HN ))
6.000 5.500 0.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.13690E-04 ppm1 7.986 ppm2 8.533 CV 1
ASSI { 921}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 30 and name HD22))
4.200 2.200 1.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.12928E-03 ppm1 7.985 ppm2 7.247 CV 1
ASSI { 947}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 30 and name HD22))
4.900 3.000 1.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.46059E-04 ppm1 6.903 ppm2 7.244 CV 1
ASSI { 963}
(( segid " " and resid 37 and name HE22))
(( segid " " and resid 34 and name HA ))
5.200 3.400 0.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.63213E-04 ppm1 6.898 ppm2 3.594 CV 1
ASSI { 1015}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HN ))
3.600 1.600 1.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.50824E-03 ppm1 8.434 ppm2 9.730 CV 1
ASSI { 1016}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 45 and name HN ))
5.900 4.300 0.100 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.27445E-04 ppm1 8.438 ppm2 9.197 CV 1
ASSI { 1019}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.43518E-02 ppm1 8.435 ppm2 7.751 CV 1
ASSI { 1025}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.300 1.400 1.400 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.75919E-03 ppm1 8.433 ppm2 4.513 CV 1
ASSI { 1029}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
2.900 1.000 1.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.16327E-02 ppm1 7.341 ppm2 9.305 CV 1
ASSI { 1030}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 30 and name HN ))
3.500 1.600 1.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.57495E-03 ppm1 7.342 ppm2 8.663 CV 1
ASSI { 1031}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 29 and name HN ))
5.400 3.600 0.600 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.43201E-04 ppm1 7.341 ppm2 8.301 CV 1
ASSI { 1038}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.900 1.000 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.16645E-02 ppm1 7.341 ppm2 5.443 CV 1
ASSI { 1039}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 14 and name HA ))
6.000 6.000 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.64801E-05 ppm1 7.340 ppm2 5.097 CV 1
ASSI { 1041}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HA ))
3.500 1.500 1.500 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.54318E-03 ppm1 7.341 ppm2 4.202 CV 1
ASSI { 1045}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
4.400 2.400 1.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.21283E-03 ppm1 8.475 ppm2 9.221 CV 1
ASSI { 1049}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 31 and name HE% )
4.800 2.800 1.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.81954E-04 ppm1 8.473 ppm2 6.890 CV 1
ASSI { 1050}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 31 and name HZ ))
3.500 1.500 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.62260E-03 ppm1 8.477 ppm2 6.673 CV 1
ASSI { 1055}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
2.700 0.900 0.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.23379E-02 ppm1 8.476 ppm2 4.794 CV 1
ASSI { 1058}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 20 and name HN ))
3.400 1.500 1.500 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.67342E-03 ppm1 9.201 ppm2 9.753 CV 1
ASSI { 1060}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
2.800 1.000 1.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.18964E-02 ppm1 9.202 ppm2 4.191 CV 1
ASSI { 1061}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HB3 ))
5.100 3.300 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.68296E-04 ppm1 9.203 ppm2 3.851 CV 1
ASSI { 1065}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 18 and name HB3 ))
4.800 2.900 1.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.86721E-04 ppm1 9.198 ppm2 2.346 CV 1
ASSI { 1067}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 17 and name HB ))
6.000 6.000 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.15883E-05 ppm1 9.203 ppm2 1.756 CV 1
ASSI { 1069}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 45 and name HB% )
2.400 0.700 0.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.42565E-02 ppm1 9.201 ppm2 1.161 CV 1
ASSI { 1070}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 17 and name HG2%)
5.700 4.100 0.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.30304E-04 ppm1 9.201 ppm2 0.610 CV 1
OR { 1070}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 17 and name HG1%)
ASSI { 1072}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 44 and name HG2%)
2.900 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.16931E-02 ppm1 9.201 ppm2 0.354 CV 1
ASSI { 1073}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HG12))
3.500 1.600 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.33036E-03 ppm1 9.201 ppm2 -0.595 CV 1
ASSI { 1075}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
2.800 0.900 0.900 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.20044E-02 ppm1 8.817 ppm2 9.760 CV 1
ASSI { 1077}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 50 and name HB3 ))
6.000 6.000 0.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.19631E-04 ppm1 9.506 ppm2 3.157 CV 1
ASSI { 1078}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB3 ))
2.300 0.600 0.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.67660E-02 ppm1 9.505 ppm2 2.835 CV 1
OR { 1078}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 1081}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
2.300 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.51142E-02 ppm1 9.509 ppm2 4.746 CV 1
ASSI { 1086}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 17 and name HG2%)
2.900 1.000 1.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.17820E-02 ppm1 9.506 ppm2 0.599 CV 1
ASSI { 1088}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 23 and name HG2%)
3.500 1.600 1.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.33353E-03 ppm1 9.518 ppm2 0.177 CV 1
ASSI { 1094}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 16 and name HA ))
6.000 6.000 0.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.10800E-05 ppm1 10.313 ppm2 4.071 CV 1
ASSI { 1097}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 16 and name HD3 ))
3.700 1.700 1.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.34624E-03 ppm1 10.311 ppm2 3.052 CV 1
ASSI { 1099}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 49 and name HB2 ))
4.500 2.600 1.500 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.17185E-03 ppm1 10.313 ppm2 2.006 CV 1
ASSI { 1102}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 16 and name HG3 ))
2.700 0.900 0.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.22076E-02 ppm1 10.311 ppm2 1.405 CV 1
ASSI { 1110}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
3.000 1.100 1.100 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.12992E-02 ppm1 8.931 ppm2 4.507 CV 1
ASSI { 1113}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HD3 ))
3.000 1.100 1.100 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 8.934 ppm2 3.060 CV 1
ASSI { 1116}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HB3 ))
6.000 5.100 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.13532E-04 ppm1 8.932 ppm2 2.014 CV 1
ASSI { 1118}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HD2 ))
3.400 1.500 1.500 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.93388E-03 ppm1 8.935 ppm2 1.139 CV 1
ASSI { 1119}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HB2 ))
5.300 3.500 0.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.64484E-04 ppm1 8.940 ppm2 0.763 CV 1
ASSI { 1122}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HA1 ))
5.700 4.100 0.300 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.34624E-04 ppm1 8.515 ppm2 3.974 CV 1
ASSI { 1125}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB3 ))
3.500 1.500 1.500 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.12230E-02 ppm1 8.523 ppm2 2.985 CV 1
ASSI { 1128}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB ))
2.600 0.800 0.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.33671E-02 ppm1 8.524 ppm2 1.984 CV 1
ASSI { 1130}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HG1%)
2.700 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.27318E-02 ppm1 8.524 ppm2 0.962 CV 1
ASSI { 1132}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HA ))
4.300 2.300 1.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.15597E-03 ppm1 8.844 ppm2 4.557 CV 1
ASSI { 1135}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB3 ))
2.300 0.700 0.700 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.57177E-02 ppm1 8.843 ppm2 3.371 CV 1
ASSI { 1136}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HB2 ))
6.000 6.000 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.10451E-05 ppm1 8.847 ppm2 2.811 CV 1
ASSI { 1138}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HG2 ))
3.500 1.500 1.500 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.64484E-03 ppm1 8.844 ppm2 2.281 CV 1
ASSI { 1139}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB3 ))
2.800 1.000 1.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.19536E-02 ppm1 8.843 ppm2 2.012 CV 1
ASSI { 1140}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 11 and name HG2%)
6.000 5.500 0.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.12452E-04 ppm1 8.848 ppm2 1.321 CV 1
ASSI { 1144}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 34 and name HG2 ))
5.500 3.800 0.500 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.36530E-04 ppm1 8.449 ppm2 2.067 CV 1
ASSI { 1146}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG3 ))
3.300 1.300 1.300 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 8.447 ppm2 1.330 CV 1
ASSI { 1162}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HB% )
2.400 0.700 0.700 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.45424E-02 ppm1 8.350 ppm2 1.322 CV 1
ASSI { 1165}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HB3 ))
4.600 2.600 1.400 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.98792E-04 ppm1 7.757 ppm2 3.058 CV 1
ASSI { 1166}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB ))
2.300 0.700 0.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.55272E-02 ppm1 7.750 ppm2 2.214 CV 1
ASSI { 1169}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 23 and name HG1%)
2.500 0.800 0.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.40342E-02 ppm1 7.752 ppm2 0.706 CV 1
ASSI { 1170}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 23 and name HG2%)
3.100 1.200 1.200 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.12421E-02 ppm1 7.754 ppm2 0.168 CV 1
ASSI { 1171}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.24872E-02 ppm1 8.749 ppm2 4.598 CV 1
ASSI { 1179}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB2 ))
2.600 0.900 0.900 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.33353E-02 ppm1 8.751 ppm2 1.737 CV 1
ASSI { 1185}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
2.300 0.600 0.600 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.60354E-02 ppm1 8.369 ppm2 3.947 CV 1
ASSI { 1189}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB3 ))
3.500 1.500 1.500 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 8.369 ppm2 3.147 CV 1
ASSI { 1191}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.29160E-02 ppm1 8.369 ppm2 2.579 CV 1
ASSI { 1192}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB3 ))
3.300 1.400 1.400 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.13564E-02 ppm1 8.369 ppm2 2.218 CV 1
ASSI { 1194}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 18 and name HB2 ))
4.200 2.300 1.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.14326E-03 ppm1 8.370 ppm2 1.381 CV 1
ASSI { 1199}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 23 and name HG2%)
6.000 6.000 0.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.49871E-05 ppm1 8.355 ppm2 0.188 CV 1
ASSI { 1212}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
2.100 0.600 0.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.10482E-01 ppm1 8.199 ppm2 3.846 CV 1
ASSI { 1215}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 50 and name HB3 ))
6.000 5.300 0.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.14104E-04 ppm1 8.205 ppm2 3.201 CV 1
ASSI { 1219}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 50 and name HB2 ))
4.600 2.600 1.400 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.10482E-03 ppm1 8.186 ppm2 2.569 CV 1
ASSI { 1222}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB ))
3.700 1.700 1.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.53683E-03 ppm1 8.197 ppm2 2.213 CV 1
ASSI { 1226}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 23 and name HG2%)
2.500 0.800 0.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.42883E-02 ppm1 8.199 ppm2 0.167 CV 1
ASSI { 1234}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.400 0.700 0.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.50824E-02 ppm1 8.234 ppm2 4.182 CV 1
ASSI { 1236}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 46 and name HB3 ))
5.000 3.200 1.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.80049E-04 ppm1 8.242 ppm2 3.851 CV 1
ASSI { 1241}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB3 ))
2.600 0.800 0.800 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.26683E-02 ppm1 8.235 ppm2 2.344 CV 1
ASSI { 1242}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB ))
2.700 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.21505E-02 ppm1 8.235 ppm2 1.775 CV 1
ASSI { 1246}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HG2%)
3.200 1.300 1.300 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.84496E-03 ppm1 8.236 ppm2 0.623 CV 1
ASSI { 1251}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
2.500 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.39707E-02 ppm1 7.938 ppm2 3.892 CV 1
ASSI { 1255}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 36 and name HG3 ))
5.000 3.100 1.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.11689E-03 ppm1 7.937 ppm2 2.478 CV 1
ASSI { 1257}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HB2 ))
4.000 2.000 2.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.43518E-03 ppm1 7.938 ppm2 1.621 CV 1
ASSI { 1284}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HB ))
4.700 2.700 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.97521E-04 ppm1 8.354 ppm2 1.990 CV 1
ASSI { 1287}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 1 and name HB% )
5.200 3.400 0.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.50507E-04 ppm1 8.347 ppm2 1.587 CV 1
ASSI { 1291}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 5 and name HG1%)
4.400 2.400 1.600 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.14961E-03 ppm1 8.349 ppm2 0.967 CV 1
ASSI { 1315}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB3 ))
2.800 1.000 1.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.20266E-02 ppm1 8.107 ppm2 3.316 CV 1
ASSI { 1349}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.21092E-02 ppm1 8.660 ppm2 4.502 CV 1
ASSI { 1350}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 28 and name HD2 ))
4.100 2.100 1.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.14072E-03 ppm1 8.658 ppm2 3.979 CV 1
ASSI { 1353}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB2 ))
2.400 0.700 0.700 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.49871E-02 ppm1 8.660 ppm2 2.802 CV 1
ASSI { 1354}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 28 and name HB3 ))
5.300 3.500 0.700 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.61942E-04 ppm1 8.660 ppm2 2.489 CV 1
ASSI { 1359}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 33 and name HB% )
4.200 2.200 1.800 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.17249E-03 ppm1 8.658 ppm2 1.323 CV 1
ASSI { 1368}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 27 and name HB2 ))
5.800 4.200 0.200 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.38118E-04 ppm1 8.117 ppm2 3.191 CV 1
ASSI { 1373}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG2 ))
3.900 1.900 1.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.37800E-03 ppm1 8.120 ppm2 2.275 CV 1
ASSI { 1375}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG3 ))
4.500 2.600 1.500 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.10959E-03 ppm1 8.120 ppm2 1.692 CV 1
ASSI { 1384}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HG3 ))
3.500 1.500 1.500 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.59083E-03 ppm1 7.676 ppm2 3.101 CV 1
ASSI { 1386}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB3 ))
3.000 1.100 1.100 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.39707E-02 ppm1 7.676 ppm2 1.888 CV 1
ASSI { 1387}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.500 1.500 1.500 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 7.676 ppm2 1.646 CV 1
ASSI { 1389}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 42 and name HD1%)
4.800 2.900 1.200 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.88947E-04 ppm1 7.676 ppm2 0.619 CV 1
ASSI { 1391}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB3 ))
2.300 0.700 0.700 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.57495E-02 ppm1 7.834 ppm2 2.975 CV 1
ASSI { 1393}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 34 and name HB3 ))
6.000 6.000 0.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.20425E-05 ppm1 7.834 ppm2 2.178 CV 1
ASSI { 1396}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 34 and name HB2 ))
6.000 6.000 0.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.10419E-04 ppm1 7.834 ppm2 1.693 CV 1
ASSI { 1398}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 33 and name HB% )
5.800 4.200 0.200 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.27763E-04 ppm1 7.834 ppm2 1.324 CV 1
ASSI { 1408}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HB3 ))
6.000 4.500 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.20362E-04 ppm1 8.499 ppm2 2.980 CV 1
ASSI { 1410}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
2.600 0.900 0.900 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.26809E-02 ppm1 8.495 ppm2 2.613 CV 1
ASSI { 1426}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HG12))
3.300 1.400 1.400 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 8.477 ppm2 -0.591 CV 1
ASSI { 1435}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HA2 ))
2.900 1.000 1.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.14644E-02 ppm1 8.818 ppm2 4.694 CV 1
ASSI { 1436}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.700 0.900 0.900 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.23411E-02 ppm1 8.818 ppm2 4.536 CV 1
ASSI { 1438}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HA2 ))
4.800 2.900 1.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.16422E-03 ppm1 8.821 ppm2 3.769 CV 1
ASSI { 1439}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB3 ))
3.600 1.600 1.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.39707E-03 ppm1 8.819 ppm2 3.053 CV 1
ASSI { 1441}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 42 and name HB ))
4.400 2.500 1.600 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.11277E-03 ppm1 8.820 ppm2 1.939 CV 1
ASSI { 1442}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 42 and name HG13))
6.000 6.000 0.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.33353E-05 ppm1 8.822 ppm2 1.624 CV 1
ASSI { 1444}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 18 and name HA ))
5.000 3.100 1.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.93388E-04 ppm1 7.752 ppm2 5.200 CV 1
ASSI { 1446}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 42 and name HD1%)
3.700 1.700 1.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.34942E-03 ppm1 8.819 ppm2 0.639 CV 1
ASSI { 1450}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB2 ))
2.800 1.000 1.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.25158E-02 ppm1 8.271 ppm2 3.050 CV 1
ASSI { 1451}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB3 ))
5.000 3.100 1.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.10196E-03 ppm1 8.271 ppm2 2.490 CV 1
ASSI { 1452}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 13 and name HB3 ))
2.900 2.900 3.100 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 8.271 ppm2 1.980 CV 1
ASSI { 1454}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 12 and name HG3 ))
4.500 2.600 1.500 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.13913E-03 ppm1 8.270 ppm2 1.668 CV 1
ASSI { 1455}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 33 and name HB% )
4.600 2.600 1.400 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.11308E-03 ppm1 8.274 ppm2 1.326 CV 1
ASSI { 1464}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG3 ))
2.600 0.800 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 8.578 ppm2 1.710 CV 1
ASSI { 1465}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HG2%)
3.600 1.700 1.700 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.56860E-03 ppm1 8.578 ppm2 1.334 CV 1
ASSI { 1467}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA2 ))
2.500 0.800 0.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.48601E-02 ppm1 9.766 ppm2 4.729 CV 1
ASSI { 1469}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.400 0.700 0.700 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.53683E-02 ppm1 9.766 ppm2 4.124 CV 1
ASSI { 1472}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 42 and name HG13))
4.600 2.600 1.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.10927E-03 ppm1 9.767 ppm2 1.628 CV 1
ASSI { 1474}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 45 and name HB% )
3.200 1.300 1.300 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.91163E-03 ppm1 9.766 ppm2 1.175 CV 1
ASSI { 1477}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 44 and name HG2%)
6.000 4.500 0.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.29160E-04 ppm1 9.767 ppm2 0.340 CV 1
ASSI { 1480}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
2.300 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.57812E-02 ppm1 9.090 ppm2 4.605 CV 1
ASSI { 1482}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB3 ))
3.500 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.14897E-02 ppm1 9.090 ppm2 3.810 CV 1
ASSI { 1483}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB2 ))
2.700 0.900 0.900 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.22521E-02 ppm1 9.090 ppm2 3.199 CV 1
ASSI { 1485}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.400 0.700 0.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.39707E-02 ppm1 9.090 ppm2 2.035 CV 1
ASSI { 1486}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 18 and name HB2 ))
6.000 6.000 0.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.60672E-06 ppm1 9.092 ppm2 1.381 CV 1
ASSI { 1487}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 45 and name HB% )
6.000 6.000 0.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.11753E-05 ppm1 9.093 ppm2 1.177 CV 1
ASSI { 1488}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 17 and name HG1%)
6.000 4.700 0.000 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.25031E-04 ppm1 9.090 ppm2 0.635 CV 1
ASSI { 1490}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 44 and name HG2%)
3.700 1.700 1.700 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.43201E-03 ppm1 9.090 ppm2 0.356 CV 1
ASSI { 1493}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HG3 ))
3.200 1.300 1.300 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.16295E-02 ppm1 7.150 ppm2 3.109 CV 1
ASSI { 1495}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HG3 ))
4.600 2.700 1.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.14040E-03 ppm1 7.151 ppm2 2.508 CV 1
ASSI { 1496}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB3 ))
2.600 0.800 0.800 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.30463E-02 ppm1 7.150 ppm2 2.157 CV 1
ASSI { 1497}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.900 1.000 1.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.15343E-02 ppm1 7.150 ppm2 1.634 CV 1
ASSI { 1498}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 33 and name HB% )
2.800 1.000 1.000 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.17534E-02 ppm1 7.150 ppm2 1.326 CV 1
ASSI { 1505}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.800 1.000 1.000 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.17916E-02 ppm1 9.305 ppm2 3.669 CV 1
ASSI { 1515}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HD2 ))
4.800 2.800 1.200 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.10927E-03 ppm1 7.803 ppm2 3.590 CV 1
ASSI { 1524}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 42 and name HD1%)
6.000 4.700 0.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.20489E-04 ppm1 7.799 ppm2 0.619 CV 1
ASSI { 1528}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HB3 ))
2.900 2.900 3.100 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 7.247 ppm2 2.838 CV 1
ASSI { 1529}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HB2 ))
4.300 2.300 1.700 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.23252E-03 ppm1 7.249 ppm2 2.446 CV 1
ASSI { 1530}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB ))
3.100 1.200 1.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 7.247 ppm2 1.955 CV 1
ASSI { 1531}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HG13))
3.100 1.200 1.200 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 7.247 ppm2 1.630 CV 1
ASSI { 1534}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 42 and name HD1%)
5.100 3.200 0.900 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.93071E-04 ppm1 7.247 ppm2 0.604 CV 1
ASSI { 1538}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HA ))
4.200 2.200 1.800 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.18709E-03 ppm1 8.633 ppm2 4.358 CV 1
ASSI { 1539}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB3 ))
2.400 0.700 0.700 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.51460E-02 ppm1 8.633 ppm2 4.038 CV 1
ASSI { 1540}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
2.700 0.900 0.900 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 8.633 ppm2 3.796 CV 1
ASSI { 1543}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 17 and name HG2%)
3.400 1.400 1.400 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.45107E-03 ppm1 7.342 ppm2 0.599 CV 1
OR { 1543}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 17 and name HG1%)
ASSI { 1546}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 33 and name HB% )
4.600 2.700 1.400 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.15120E-03 ppm1 8.634 ppm2 1.331 CV 1
ASSI { 1550}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA2 ))
2.300 0.700 0.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.50189E-02 ppm1 9.677 ppm2 4.719 CV 1
ASSI { 1553}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 23 and name HA ))
5.500 3.800 0.500 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.37165E-04 ppm1 9.675 ppm2 3.831 CV 1
ASSI { 1554}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 25 and name HB3 ))
6.000 6.000 0.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.68296E-05 ppm1 9.677 ppm2 2.852 CV 1
OR { 1554}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 1555}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 25 and name HB3 ))
6.000 4.700 0.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.28462E-04 ppm1 9.676 ppm2 2.867 CV 1
ASSI { 1561}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 42 and name HD1%)
4.100 2.100 1.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.26429E-03 ppm1 9.678 ppm2 0.635 CV 1
ASSI { 1565}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.200 0.600 0.600 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.74648E-02 ppm1 8.844 ppm2 4.563 CV 1
ASSI { 1567}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA1 ))
2.900 1.100 1.100 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.14867E-02 ppm1 8.844 ppm2 3.965 CV 1
ASSI { 1569}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA2 ))
2.500 0.800 0.800 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.46377E-02 ppm1 8.844 ppm2 3.068 CV 1
ASSI { 1572}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB ))
3.400 1.500 1.500 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.96249E-03 ppm1 8.844 ppm2 2.011 CV 1
ASSI { 1576}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 5 and name HG1%)
2.900 1.000 1.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.19472E-02 ppm1 8.844 ppm2 0.964 CV 1
ASSI { 1578}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 23 and name HG2%)
6.000 4.900 0.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.11086E-04 ppm1 8.843 ppm2 0.192 CV 1
ASSI { 1589}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.300 0.600 0.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.65436E-02 ppm1 7.710 ppm2 2.878 CV 1
ASSI { 1606}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA2 ))
2.700 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.34942E-02 ppm1 8.163 ppm2 3.374 CV 1
ASSI { 1607}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 27 and name HB2 ))
2.800 1.000 1.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.15533E-02 ppm1 8.115 ppm2 3.135 CV 1
ASSI { 1612}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 13 and name HG2 ))
4.600 2.700 1.400 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.65754E-04 ppm1 8.116 ppm2 2.267 CV 1
ASSI { 1616}
(( segid " " and resid 27 and name HD21))
( segid " " and resid 11 and name HG2%)
3.900 1.900 1.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.18392E-03 ppm1 8.116 ppm2 1.329 CV 1
ASSI { 1683}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.200 0.600 0.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.73695E-02 ppm1 8.358 ppm2 4.107 CV 1
ASSI { 1684}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA1 ))
3.700 1.700 1.700 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.35577E-03 ppm1 7.753 ppm2 4.112 CV 1
ASSI { 1685}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.400 1.500 1.500 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.60037E-03 ppm1 8.366 ppm2 2.839 CV 1
OR { 1685}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 1689}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.500 1.500 1.500 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.10610E-02 ppm1 8.358 ppm2 1.016 CV 1
ASSI { 1691}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 19 and name HA2 ))
3.200 3.200 2.800 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.14008E-02 ppm1 8.835 ppm2 4.758 CV 1
ASSI { 1692}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
2.300 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.70519E-02 ppm1 8.837 ppm2 4.175 CV 1
ASSI { 1705}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 42 and name HG2%)
5.000 3.100 1.000 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.13310E-03 ppm1 8.841 ppm2 0.893 CV 1
ASSI { 1713}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HD3 ))
3.600 1.600 1.600 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.84496E-03 ppm1 8.188 ppm2 3.835 CV 1
ASSI { 1714}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HD2 ))
3.600 1.600 1.600 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.38753E-03 ppm1 8.179 ppm2 3.582 CV 1
ASSI { 1716}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB3 ))
2.600 0.800 0.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.50507E-02 ppm1 8.188 ppm2 2.853 CV 1
ASSI { 1717}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HB2 ))
5.500 3.800 0.500 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.47648E-04 ppm1 8.190 ppm2 2.433 CV 1
ASSI { 1718}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.500 1.500 1.500 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.13373E-02 ppm1 8.232 ppm2 1.934 CV 1
ASSI { 1719}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG3 ))
3.300 1.400 1.400 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.12579E-02 ppm1 8.189 ppm2 1.904 CV 1
ASSI { 1720}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HG13))
4.300 2.300 1.700 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.28716E-03 ppm1 8.192 ppm2 1.621 CV 1
ASSI { 1721}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HG12))
5.000 3.200 1.000 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.77189E-04 ppm1 8.189 ppm2 1.303 CV 1
ASSI { 1724}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 42 and name HG2%)
4.300 2.300 1.700 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.20298E-03 ppm1 8.189 ppm2 0.902 CV 1
ASSI { 1726}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 17 and name HG1%)
2.400 0.700 0.700 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.56542E-02 ppm1 8.195 ppm2 0.622 CV 1
ASSI { 1756}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
2.800 1.000 1.000 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.19091E-02 ppm1 8.251 ppm2 3.947 CV 1
ASSI { 1757}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA2 ))
2.700 0.900 0.900 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.32401E-02 ppm1 8.251 ppm2 3.378 CV 1
ASSI { 1759}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
4.700 2.800 1.300 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.12674E-03 ppm1 8.238 ppm2 2.794 CV 1
ASSI { 1760}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 18 and name HB3 ))
2.700 2.700 3.300 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 8.251 ppm2 2.364 CV 1
ASSI { 1761}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB2 ))
3.100 1.200 1.200 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.18837E-02 ppm1 8.251 ppm2 1.994 CV 1
ASSI { 1762}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 16 and name HG3 ))
3.300 1.300 1.300 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.10768E-02 ppm1 8.251 ppm2 1.424 CV 1
ASSI { 1777}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 10 and name HB3 ))
3.600 1.600 1.600 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.30908E-03 ppm1 7.440 ppm2 3.322 CV 1
ASSI { 1779}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 30 and name HB2 ))
3.000 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.14040E-02 ppm1 7.440 ppm2 2.798 CV 1
ASSI { 1781}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 34 and name HG2 ))
6.000 6.000 0.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.68930E-05 ppm1 7.437 ppm2 2.061 CV 1
ASSI { 1782}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 34 and name HB2 ))
4.900 3.000 1.100 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.53365E-04 ppm1 7.445 ppm2 1.686 CV 1
ASSI { 1788}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 30 and name HB3 ))
3.500 1.600 1.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.66389E-03 ppm1 7.215 ppm2 3.047 CV 1
ASSI { 1789}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 30 and name HB2 ))
3.000 1.100 1.100 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.18741E-02 ppm1 7.214 ppm2 2.799 CV 1
ASSI { 1791}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 34 and name HB3 ))
6.000 6.000 0.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.71154E-06 ppm1 7.214 ppm2 2.196 CV 1
ASSI { 1792}
(( segid " " and resid 30 and name HD22))
(( segid " " and resid 34 and name HB2 ))
6.000 4.700 0.000 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.19441E-04 ppm1 7.215 ppm2 1.655 CV 1
ASSI { 1799}
(( segid " " and resid 35 and name HE21))
(( segid " " and resid 44 and name HA ))
6.000 4.600 0.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.23252E-04 ppm1 7.706 ppm2 3.475 CV 1
ASSI { 1804}
(( segid " " and resid 35 and name HE21))
(( segid " " and resid 39 and name HB2 ))
6.000 6.000 0.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.10133E-04 ppm1 7.710 ppm2 2.482 CV 1
ASSI { 1806}
(( segid " " and resid 35 and name HE21))
(( segid " " and resid 42 and name HG13))
4.500 2.500 1.500 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.80683E-04 ppm1 7.712 ppm2 1.645 CV 1
ASSI { 1863}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HB3 ))
4.200 2.200 1.800 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.30717E-03 ppm1 7.605 ppm2 3.028 CV 1
ASSI { 1866}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 1 and name HB% )
4.500 2.500 1.500 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.13501E-03 ppm1 7.609 ppm2 1.607 CV 1
ASSI { 1867}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 33 and name HB% )
3.700 1.700 1.700 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.44789E-03 ppm1 7.608 ppm2 1.332 CV 1
ASSI { 1873}
(( segid " " and resid 37 and name HE21))
(( segid " " and resid 36 and name HG3 ))
3.600 1.600 1.600 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.43201E-03 ppm1 7.984 ppm2 2.463 CV 1
ASSI { 1876}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 34 and name HB2 ))
3.500 1.600 1.600 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.43518E-03 ppm1 7.984 ppm2 1.636 CV 1
ASSI { 1877}
(( segid " " and resid 37 and name HE21))
( segid " " and resid 33 and name HB% )
5.800 4.200 0.200 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.26238E-04 ppm1 7.985 ppm2 1.312 CV 1
ASSI { 1878}
(( segid " " and resid 34 and name HE21))
( segid " " and resid 5 and name HG1%)
4.300 2.300 1.700 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.10927E-03 ppm1 7.984 ppm2 0.939 CV 1
ASSI { 1897}
(( segid " " and resid 37 and name HE22))
(( segid " " and resid 36 and name HG3 ))
4.100 2.100 1.900 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.13786E-03 ppm1 6.901 ppm2 2.509 CV 1
ASSI { 1902}
(( segid " " and resid 37 and name HE22))
( segid " " and resid 33 and name HB% )
6.000 5.600 0.000 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.96885E-05 ppm1 6.899 ppm2 1.341 CV 1
ASSI { 1903}
(( segid " " and resid 34 and name HE22))
( segid " " and resid 5 and name HG1%)
3.700 1.700 1.700 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.27731E-03 ppm1 6.900 ppm2 0.950 CV 1
ASSI { 1922}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 38 and name HB2 ))
4.100 2.100 1.900 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.17598E-03 ppm1 7.941 ppm2 2.869 CV 1
ASSI { 1924}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 34 and name HG2 ))
4.300 2.300 1.700 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.14993E-03 ppm1 7.938 ppm2 2.034 CV 1
ASSI { 1960}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA1 ))
2.600 0.800 0.800 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.26524E-02 ppm1 8.435 ppm2 4.109 CV 1
ASSI { 1961}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA2 ))
2.600 0.800 0.800 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.45107E-02 ppm1 8.435 ppm2 3.729 CV 1
ASSI { 1964}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
4.800 2.800 1.200 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.12738E-03 ppm1 8.434 ppm2 2.700 CV 1
ASSI { 1965}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB ))
4.100 2.100 1.900 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.31416E-03 ppm1 8.433 ppm2 2.212 CV 1
ASSI { 1966}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 45 and name HB% )
5.000 3.200 1.000 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.59401E-04 ppm1 8.433 ppm2 1.169 CV 1
ASSI { 1972}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 30 and name HB2 ))
2.600 0.900 0.900 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.43836E-02 ppm1 7.342 ppm2 2.818 CV 1
ASSI { 1974}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 30 and name HB3 ))
3.100 1.200 1.200 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.89264E-03 ppm1 7.346 ppm2 3.075 CV 1
ASSI { 1981}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB ))
2.400 0.700 0.700 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.56542E-02 ppm1 8.476 ppm2 4.196 CV 1
ASSI { 1982}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
2.600 0.800 0.800 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.29160E-02 ppm1 8.475 ppm2 3.472 CV 1
ASSI { 1990}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB ))
2.400 0.700 0.700 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.53683E-02 ppm1 8.476 ppm2 1.418 CV 1
ASSI { 1994}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 44 and name HD1%)
2.800 1.000 1.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.19568E-02 ppm1 8.476 ppm2 0.372 CV 1
ASSI { 2138}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HG13))
2.800 1.000 1.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.20933E-02 ppm1 8.837 ppm2 1.624 CV 1
ASSI { 2146}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 19 and name HA2 ))
3.400 1.500 1.500 peak 2146 spectrum 1 weight 0.11000E+01 volume 0.20266E-02 ppm1 9.201 ppm2 4.728 CV 1
ASSI { 2150}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
3.300 1.400 1.400 peak 2150 spectrum 1 weight 0.11000E+01 volume 0.84178E-03 ppm1 8.820 ppm2 7.751 CV 1
ASSI { 2151}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 25 and name HN ))
2.900 1.100 1.100 peak 2151 spectrum 1 weight 0.11000E+01 volume 0.14549E-02 ppm1 8.362 ppm2 9.509 CV 1
ASSI { 2152}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 26 and name HA ))
4.800 2.800 1.200 peak 2152 spectrum 1 weight 0.11000E+01 volume 0.10228E-03 ppm1 8.368 ppm2 3.696 CV 1
ASSI { 2156}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 42 and name HG2%)
4.100 2.100 1.900 peak 2156 spectrum 1 weight 0.11000E+01 volume 0.19282E-03 ppm1 8.819 ppm2 0.901 CV 1
ASSI { 2157}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 44 and name HA ))
3.600 1.600 1.600 peak 2157 spectrum 1 weight 0.11000E+01 volume 0.62260E-03 ppm1 9.766 ppm2 3.464 CV 1
ASSI { 2159}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 46 and name HN ))
3.100 1.200 1.200 peak 2159 spectrum 1 weight 0.11000E+01 volume 0.10959E-02 ppm1 8.233 ppm2 7.233 CV 1
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