NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17309 |
2c5z   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 4}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 6 and name HB ))
2.500 0.800 0.800 peak 4 spectrum 1 weight 0.11000E+01 volume 0.62381E-02 ppm1 1.151 ppm2 4.153 CV 1
ASSI { 11}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 82 and name HB2 ))
4.000 4.000 2.000 peak 11 spectrum 1 weight 0.11000E+01 volume 0.16201E-02 ppm1 3.716 ppm2 3.218 CV 1
ASSI { 13}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 14 and name HB1 ))
2.800 2.800 3.200 peak 13 spectrum 1 weight 0.11000E+01 volume 0.24019E-02 ppm1 1.375 ppm2 2.150 CV 1
OR { 13}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 14 and name HG2 ))
ASSI { 14}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 79 and name HB ))
2.400 0.700 0.700 peak 14 spectrum 1 weight 0.11000E+01 volume 0.48966E-02 ppm1 1.025 ppm2 2.363 CV 1
ASSI { 16}
( segid " " and resid 79 and name HG1%)
(( segid " " and resid 79 and name HB ))
2.400 0.700 0.700 peak 16 spectrum 1 weight 0.11000E+01 volume 0.45120E-02 ppm1 1.359 ppm2 2.362 CV 1
ASSI { 17}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 14 and name HG1 ))
3.500 3.500 2.500 peak 17 spectrum 1 weight 0.11000E+01 volume 0.31512E-02 ppm1 1.369 ppm2 2.272 CV 1
ASSI { 26}
( segid " " and resid 79 and name HG1%)
(( segid " " and resid 79 and name HA ))
2.400 0.700 0.700 peak 26 spectrum 1 weight 0.11000E+01 volume 0.64473E-02 ppm1 1.359 ppm2 3.711 CV 1
ASSI { 27}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 14 and name HA ))
2.800 2.800 3.200 peak 27 spectrum 1 weight 0.11000E+01 volume 0.39877E-02 ppm1 1.378 ppm2 3.922 CV 1
ASSI { 30}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 22 and name HA ))
2.200 0.600 0.600 peak 30 spectrum 1 weight 0.11000E+01 volume 0.10750E-01 ppm1 1.486 ppm2 3.767 CV 1
ASSI { 37}
( segid " " and resid 22 and name HB% )
( segid " " and resid 51 and name HG1%)
3.500 3.500 2.500 peak 37 spectrum 1 weight 0.11000E+01 volume 0.10466E-02 ppm1 1.498 ppm2 1.157 CV 1
ASSI { 38}
( segid " " and resid 22 and name HB% )
( segid " " and resid 51 and name HG2%)
3.100 1.200 1.200 peak 38 spectrum 1 weight 0.11000E+01 volume 0.25391E-02 ppm1 1.492 ppm2 0.901 CV 1
ASSI { 41}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 47 and name HB% )
2.400 0.700 0.700 peak 41 spectrum 1 weight 0.11000E+01 volume 0.63321E-02 ppm1 3.628 ppm2 1.331 CV 1
ASSI { 44}
( segid " " and resid 99 and name HB% )
(( segid " " and resid 99 and name HA ))
2.400 0.700 0.700 peak 44 spectrum 1 weight 0.11000E+01 volume 0.94847E-02 ppm1 1.375 ppm2 4.227 CV 1
ASSI { 46}
( segid " " and resid 79 and name HG1%)
(( segid " " and resid 24 and name HZ ))
4.000 2.000 2.000 peak 46 spectrum 1 weight 0.11000E+01 volume 0.22758E-03 ppm1 1.363 ppm2 7.157 CV 1
ASSI { 48}
( segid " " and resid 79 and name HG1%)
( segid " " and resid 21 and name HD% )
5.100 5.100 0.900 peak 48 spectrum 1 weight 0.11000E+01 volume 0.23522E-03 ppm1 1.361 ppm2 7.509 CV 1
ASSI { 53}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB1 ))
2.700 0.900 0.900 peak 53 spectrum 1 weight 0.11000E+01 volume 0.41812E-02 ppm1 4.711 ppm2 3.123 CV 1
ASSI { 55}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB1 ))
2.700 0.900 0.900 peak 55 spectrum 1 weight 0.11000E+01 volume 0.29519E-02 ppm1 4.528 ppm2 2.753 CV 1
ASSI { 61}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB1 ))
2.800 1.000 1.000 peak 61 spectrum 1 weight 0.11000E+01 volume 0.31302E-02 ppm1 4.267 ppm2 2.596 CV 1
ASSI { 65}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.000 1.100 1.100 peak 65 spectrum 1 weight 0.11000E+01 volume 0.30659E-02 ppm1 2.522 ppm2 4.430 CV 1
ASSI { 72}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB1 ))
2.600 0.800 0.800 peak 72 spectrum 1 weight 0.11000E+01 volume 0.35274E-02 ppm1 4.548 ppm2 3.050 CV 1
ASSI { 74}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
2.800 0.900 0.900 peak 74 spectrum 1 weight 0.11000E+01 volume 0.40153E-02 ppm1 4.551 ppm2 2.584 CV 1
ASSI { 79}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB ))
2.700 0.900 0.900 peak 79 spectrum 1 weight 0.11000E+01 volume 0.43263E-02 ppm1 4.128 ppm2 2.026 CV 1
ASSI { 81}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 6 and name HB ))
1.700 1.700 4.300 peak 81 spectrum 1 weight 0.11000E+01 volume 0.91158E-01 ppm1 4.137 ppm2 4.135 CV 1
ASSI { 86}
(( segid " " and resid 46 and name HB1 ))
(( segid " " and resid 46 and name HB2 ))
1.800 0.400 0.400 peak 86 spectrum 1 weight 0.11000E+01 volume 0.12198E-01 ppm1 3.065 ppm2 2.720 CV 1
ASSI { 88}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB1 ))
2.400 0.700 0.700 peak 88 spectrum 1 weight 0.11000E+01 volume 0.71194E-02 ppm1 4.428 ppm2 4.043 CV 1
ASSI { 90}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
2.600 0.800 0.800 peak 90 spectrum 1 weight 0.11000E+01 volume 0.71992E-02 ppm1 4.431 ppm2 3.864 CV 1
ASSI { 91}
(( segid " " and resid 103 and name HB1 ))
(( segid " " and resid 103 and name HA ))
3.200 1.200 1.200 peak 91 spectrum 1 weight 0.11000E+01 volume 0.20167E-02 ppm1 3.803 ppm2 4.422 CV 1
ASSI { 100}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 50 and name HD1%)
4.800 4.800 1.200 peak 100 spectrum 1 weight 0.11000E+01 volume 0.30047E-03 ppm1 4.290 ppm2 0.438 CV 1
ASSI { 105}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 29 and name HA ))
2.300 2.300 3.700 peak 105 spectrum 1 weight 0.11000E+01 volume 0.57521E-02 ppm1 0.783 ppm2 3.529 CV 1
ASSI { 107}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 47 and name HA ))
2.600 2.600 3.400 peak 107 spectrum 1 weight 0.11000E+01 volume 0.42200E-02 ppm1 0.683 ppm2 3.627 CV 1
ASSI { 109}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 109 spectrum 1 weight 0.11000E+01 volume 0.94276E-02 ppm1 3.913 ppm2 4.281 CV 1
ASSI { 111}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB1 ))
2.400 0.700 0.700 peak 111 spectrum 1 weight 0.11000E+01 volume 0.80100E-02 ppm1 4.234 ppm2 3.903 CV 1
ASSI { 113}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 49 and name HB1 ))
3.400 1.400 1.400 peak 113 spectrum 1 weight 0.11000E+01 volume 0.18496E-02 ppm1 4.292 ppm2 2.827 CV 1
ASSI { 116}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 29 and name HB ))
2.500 0.800 0.800 peak 116 spectrum 1 weight 0.11000E+01 volume 0.48447E-02 ppm1 0.688 ppm2 1.865 CV 1
ASSI { 126}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 53 and name HG11))
2.800 2.800 3.200 peak 126 spectrum 1 weight 0.11000E+01 volume 0.29545E-02 ppm1 0.729 ppm2 1.783 CV 1
OR { 126}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 53 and name HG12))
ASSI { 128}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HB ))
2.800 1.000 1.000 peak 128 spectrum 1 weight 0.11000E+01 volume 0.32705E-02 ppm1 3.664 ppm2 1.988 CV 1
ASSI { 129}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HG11))
2.900 1.000 1.000 peak 129 spectrum 1 weight 0.11000E+01 volume 0.30283E-02 ppm1 3.671 ppm2 1.590 CV 1
ASSI { 131}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HG12))
3.000 1.100 1.100 peak 131 spectrum 1 weight 0.11000E+01 volume 0.20187E-02 ppm1 3.669 ppm2 1.188 CV 1
ASSI { 132}
(( segid " " and resid 91 and name HA ))
( segid " " and resid 91 and name HG2%)
3.000 1.100 1.100 peak 132 spectrum 1 weight 0.11000E+01 volume 0.25633E-02 ppm1 3.664 ppm2 0.874 CV 1
ASSI { 133}
(( segid " " and resid 91 and name HA ))
( segid " " and resid 91 and name HD1%)
3.200 1.300 1.300 peak 133 spectrum 1 weight 0.11000E+01 volume 0.37098E-02 ppm1 3.663 ppm2 0.742 CV 1
ASSI { 135}
(( segid " " and resid 91 and name HB ))
(( segid " " and resid 91 and name HG11))
2.600 0.800 0.800 peak 135 spectrum 1 weight 0.11000E+01 volume 0.39787E-02 ppm1 2.002 ppm2 1.579 CV 1
ASSI { 137}
(( segid " " and resid 91 and name HB ))
(( segid " " and resid 91 and name HG12))
2.900 1.100 1.100 peak 137 spectrum 1 weight 0.11000E+01 volume 0.27546E-02 ppm1 2.002 ppm2 1.186 CV 1
ASSI { 138}
(( segid " " and resid 91 and name HB ))
( segid " " and resid 91 and name HG2%)
2.400 0.700 0.700 peak 138 spectrum 1 weight 0.11000E+01 volume 0.69572E-02 ppm1 2.002 ppm2 0.881 CV 1
ASSI { 139}
(( segid " " and resid 91 and name HB ))
( segid " " and resid 91 and name HD1%)
2.800 1.000 1.000 peak 139 spectrum 1 weight 0.11000E+01 volume 0.38982E-02 ppm1 2.002 ppm2 0.717 CV 1
ASSI { 155}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 32 and name HA ))
4.800 2.900 1.200 peak 155 spectrum 1 weight 0.11000E+01 volume 0.85624E-03 ppm1 2.395 ppm2 4.911 CV 1
ASSI { 159}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 43 and name HG11))
2.000 0.500 0.500 peak 159 spectrum 1 weight 0.11000E+01 volume 0.99617E-02 ppm1 0.753 ppm2 1.571 CV 1
ASSI { 161}
( segid " " and resid 43 and name HD1%)
( segid " " and resid 43 and name HG2%)
2.200 2.200 3.800 peak 161 spectrum 1 weight 0.11000E+01 volume 0.93418E-02 ppm1 0.753 ppm2 0.867 CV 1
ASSI { 166}
( segid " " and resid 28 and name HD1%)
(( segid " " and resid 28 and name HA ))
3.400 1.400 1.400 peak 166 spectrum 1 weight 0.11000E+01 volume 0.12983E-02 ppm1 2.053 ppm2 4.081 CV 1
ASSI { 167}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 13 and name HA ))
2.500 0.800 0.800 peak 167 spectrum 1 weight 0.11000E+01 volume 0.69941E-02 ppm1 0.884 ppm2 4.206 CV 1
ASSI { 169}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB1 ))
2.500 0.800 0.800 peak 169 spectrum 1 weight 0.11000E+01 volume 0.65163E-02 ppm1 4.190 ppm2 1.894 CV 1
ASSI { 171}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HD1%)
3.000 3.000 3.000 peak 171 spectrum 1 weight 0.11000E+01 volume 0.28322E-02 ppm1 4.195 ppm2 0.945 CV 1
ASSI { 175}
(( segid " " and resid 13 and name HB1 ))
( segid " " and resid 13 and name HD1%)
2.700 0.900 0.900 peak 175 spectrum 1 weight 0.11000E+01 volume 0.41201E-02 ppm1 1.889 ppm2 0.954 CV 1
ASSI { 176}
(( segid " " and resid 13 and name HB1 ))
( segid " " and resid 13 and name HD2%)
2.700 2.700 3.300 peak 176 spectrum 1 weight 0.11000E+01 volume 0.43259E-02 ppm1 1.889 ppm2 0.878 CV 1
ASSI { 177}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HB1 ))
2.000 0.500 0.500 peak 177 spectrum 1 weight 0.11000E+01 volume 0.56242E-02 ppm1 1.749 ppm2 1.886 CV 1
ASSI { 178}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.900 2.900 3.100 peak 178 spectrum 1 weight 0.11000E+01 volume 0.19095E-02 ppm1 1.749 ppm2 4.197 CV 1
ASSI { 179}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 13 and name HD1%)
2.800 1.000 1.000 peak 179 spectrum 1 weight 0.11000E+01 volume 0.30114E-02 ppm1 1.749 ppm2 0.955 CV 1
ASSI { 180}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 13 and name HD2%)
2.700 0.900 0.900 peak 180 spectrum 1 weight 0.11000E+01 volume 0.52404E-02 ppm1 1.754 ppm2 0.887 CV 1
ASSI { 181}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 13 and name HA ))
3.100 3.100 2.900 peak 181 spectrum 1 weight 0.11000E+01 volume 0.18636E-02 ppm1 1.763 ppm2 4.188 CV 1
ASSI { 182}
(( segid " " and resid 13 and name HG ))
( segid " " and resid 13 and name HD1%)
2.500 2.500 3.500 peak 182 spectrum 1 weight 0.11000E+01 volume 0.51394E-02 ppm1 1.763 ppm2 0.951 CV 1
ASSI { 183}
(( segid " " and resid 13 and name HG ))
( segid " " and resid 13 and name HD2%)
2.800 2.800 3.200 peak 183 spectrum 1 weight 0.11000E+01 volume 0.26056E-02 ppm1 1.763 ppm2 0.856 CV 1
ASSI { 187}
( segid " " and resid 28 and name HD1%)
(( segid " " and resid 28 and name HG ))
2.700 2.700 3.300 peak 187 spectrum 1 weight 0.11000E+01 volume 0.35739E-02 ppm1 2.037 ppm2 0.919 CV 1
ASSI { 189}
( segid " " and resid 28 and name HD1%)
(( segid " " and resid 28 and name HB2 ))
3.400 1.400 1.400 peak 189 spectrum 1 weight 0.11000E+01 volume 0.95682E-03 ppm1 2.044 ppm2 1.371 CV 1
ASSI { 195}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 71 and name HA ))
2.200 0.600 0.600 peak 195 spectrum 1 weight 0.11000E+01 volume 0.76389E-02 ppm1 0.419 ppm2 4.560 CV 1
ASSI { 202}
(( segid " " and resid 71 and name HB1 ))
( segid " " and resid 71 and name HD1%)
2.700 2.700 3.300 peak 202 spectrum 1 weight 0.11000E+01 volume 0.28650E-02 ppm1 1.471 ppm2 0.034 CV 1
ASSI { 211}
(( segid " " and resid 71 and name HB1 ))
(( segid " " and resid 71 and name HB2 ))
2.000 0.500 0.500 peak 211 spectrum 1 weight 0.11000E+01 volume 0.55436E-02 ppm1 1.473 ppm2 0.796 CV 1
ASSI { 220}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 71 and name HG ))
2.400 0.700 0.700 peak 220 spectrum 1 weight 0.11000E+01 volume 0.58084E-02 ppm1 0.416 ppm2 1.152 CV 1
ASSI { 221}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HG ))
2.400 0.700 0.700 peak 221 spectrum 1 weight 0.11000E+01 volume 0.56634E-02 ppm1 0.049 ppm2 1.150 CV 1
ASSI { 222}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 71 and name HB1 ))
3.300 1.400 1.400 peak 222 spectrum 1 weight 0.11000E+01 volume 0.21335E-02 ppm1 0.422 ppm2 1.469 CV 1
ASSI { 225}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HB2 ))
2.900 1.100 1.100 peak 225 spectrum 1 weight 0.11000E+01 volume 0.43185E-02 ppm1 0.041 ppm2 0.783 CV 1
ASSI { 232}
( segid " " and resid 29 and name HG2%)
( segid " " and resid 29 and name HD1%)
2.400 2.400 3.600 peak 232 spectrum 1 weight 0.11000E+01 volume 0.60345E-02 ppm1 0.764 ppm2 0.677 CV 1
ASSI { 234}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 29 and name HG11))
2.400 0.700 0.700 peak 234 spectrum 1 weight 0.11000E+01 volume 0.52154E-02 ppm1 0.685 ppm2 1.737 CV 1
ASSI { 237}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 29 and name HB ))
2.400 0.700 0.700 peak 237 spectrum 1 weight 0.11000E+01 volume 0.39325E-02 ppm1 0.771 ppm2 1.856 CV 1
ASSI { 238}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 29 and name HG12))
1.900 1.900 4.100 peak 238 spectrum 1 weight 0.11000E+01 volume 0.16625E-01 ppm1 0.754 ppm2 0.924 CV 1
ASSI { 239}
(( segid " " and resid 29 and name HG11))
(( segid " " and resid 29 and name HB ))
2.400 0.700 0.700 peak 239 spectrum 1 weight 0.11000E+01 volume 0.54265E-02 ppm1 1.776 ppm2 1.849 CV 1
ASSI { 241}
(( segid " " and resid 29 and name HG12))
( segid " " and resid 29 and name HD1%)
2.800 1.000 1.000 peak 241 spectrum 1 weight 0.11000E+01 volume 0.20667E-02 ppm1 0.900 ppm2 0.680 CV 1
ASSI { 246}
( segid " " and resid 100 and name HD1%)
( segid " " and resid 102 and name HD1%)
1.200 1.200 4.800 peak 246 spectrum 1 weight 0.11000E+01 volume 0.10480E+01 ppm1 0.827 ppm2 0.826 CV 1
ASSI { 247}
(( segid " " and resid 100 and name HA ))
( segid " " and resid 100 and name HD1%)
2.800 2.800 3.200 peak 247 spectrum 1 weight 0.11000E+01 volume 0.67218E-02 ppm1 4.267 ppm2 0.833 CV 1
ASSI { 248}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB2 ))
2.700 0.900 0.900 peak 248 spectrum 1 weight 0.11000E+01 volume 0.48779E-02 ppm1 4.260 ppm2 1.546 CV 1
ASSI { 251}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB1 ))
2.700 0.900 0.900 peak 251 spectrum 1 weight 0.11000E+01 volume 0.36041E-02 ppm1 4.260 ppm2 1.686 CV 1
ASSI { 253}
( segid " " and resid 100 and name HD1%)
(( segid " " and resid 100 and name HB2 ))
2.400 0.700 0.700 peak 253 spectrum 1 weight 0.11000E+01 volume 0.92255E-02 ppm1 0.830 ppm2 1.569 CV 1
ASSI { 254}
( segid " " and resid 100 and name HD1%)
(( segid " " and resid 100 and name HB1 ))
3.100 1.200 1.200 peak 254 spectrum 1 weight 0.11000E+01 volume 0.27348E-02 ppm1 0.822 ppm2 1.684 CV 1
ASSI { 259}
(( segid " " and resid 102 and name HA ))
( segid " " and resid 102 and name HD1%)
3.000 1.100 1.100 peak 259 spectrum 1 weight 0.11000E+01 volume 0.57421E-02 ppm1 4.388 ppm2 0.831 CV 1
ASSI { 262}
(( segid " " and resid 102 and name HB1 ))
( segid " " and resid 102 and name HD1%)
2.800 1.000 1.000 peak 262 spectrum 1 weight 0.11000E+01 volume 0.54963E-02 ppm1 1.595 ppm2 0.818 CV 1
ASSI { 263}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 102 and name HB1 ))
2.500 0.800 0.800 peak 263 spectrum 1 weight 0.11000E+01 volume 0.59479E-02 ppm1 4.387 ppm2 1.589 CV 1
ASSI { 266}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 6 and name HG2%)
2.800 1.000 1.000 peak 266 spectrum 1 weight 0.11000E+01 volume 0.41794E-02 ppm1 4.321 ppm2 1.141 CV 1
ASSI { 267}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB ))
2.200 0.600 0.600 peak 267 spectrum 1 weight 0.11000E+01 volume 0.14060E-01 ppm1 4.323 ppm2 4.156 CV 1
ASSI { 270}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB ))
2.700 0.900 0.900 peak 270 spectrum 1 weight 0.11000E+01 volume 0.31515E-02 ppm1 4.370 ppm2 4.630 CV 1
ASSI { 273}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 72 and name HB ))
2.500 0.800 0.800 peak 273 spectrum 1 weight 0.11000E+01 volume 0.53538E-02 ppm1 1.336 ppm2 4.630 CV 1
ASSI { 274}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 72 and name HA ))
2.600 0.800 0.800 peak 274 spectrum 1 weight 0.11000E+01 volume 0.58058E-02 ppm1 1.336 ppm2 4.365 CV 1
ASSI { 281}
( segid " " and resid 79 and name HG1%)
( segid " " and resid 79 and name HG2%)
2.700 2.700 3.300 peak 281 spectrum 1 weight 0.11000E+01 volume 0.34430E-02 ppm1 1.361 ppm2 0.992 CV 1
ASSI { 288}
(( segid " " and resid 62 and name HB1 ))
(( segid " " and resid 62 and name HB2 ))
2.000 0.500 0.500 peak 288 spectrum 1 weight 0.11000E+01 volume 0.69974E-02 ppm1 2.744 ppm2 2.619 CV 1
ASSI { 295}
(( segid " " and resid 69 and name HB1 ))
(( segid " " and resid 69 and name HB2 ))
2.600 0.800 0.800 peak 295 spectrum 1 weight 0.11000E+01 volume 0.20132E-02 ppm1 2.608 ppm2 2.459 CV 1
ASSI { 301}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB1 ))
2.000 0.500 0.500 peak 301 spectrum 1 weight 0.11000E+01 volume 0.76598E-02 ppm1 2.522 ppm2 2.795 CV 1
ASSI { 306}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HB1 ))
1.700 0.400 0.500 peak 306 spectrum 1 weight 0.11000E+01 volume 0.14665E-01 ppm1 2.600 ppm2 3.044 CV 1
ASSI { 311}
(( segid " " and resid 84 and name HB1 ))
(( segid " " and resid 84 and name HB2 ))
1.800 0.400 0.400 peak 311 spectrum 1 weight 0.11000E+01 volume 0.12419E-01 ppm1 2.918 ppm2 2.768 CV 1
ASSI { 315}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 7 and name HB ))
1.500 1.500 4.500 peak 315 spectrum 1 weight 0.11000E+01 volume 0.12000E+00 ppm1 2.028 ppm2 2.029 CV 1
ASSI { 317}
(( segid " " and resid 7 and name HB ))
( segid " " and resid 7 and name HG2%)
2.200 0.600 0.600 peak 317 spectrum 1 weight 0.11000E+01 volume 0.13137E-01 ppm1 2.021 ppm2 0.894 CV 1
ASSI { 319}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 7 and name HA ))
2.700 0.900 0.900 peak 319 spectrum 1 weight 0.11000E+01 volume 0.49245E-02 ppm1 0.904 ppm2 4.133 CV 1
ASSI { 321}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG ))
2.400 2.400 3.600 peak 321 spectrum 1 weight 0.11000E+01 volume 0.69978E-02 ppm1 4.107 ppm2 0.902 CV 1
ASSI { 322}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.800 1.000 1.000 peak 322 spectrum 1 weight 0.11000E+01 volume 0.38314E-02 ppm1 4.108 ppm2 1.364 CV 1
ASSI { 323}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 57 and name HD1 ))
5.500 3.700 0.500 peak 323 spectrum 1 weight 0.11000E+01 volume 0.16074E-03 ppm1 0.720 ppm2 1.325 CV 1
ASSI { 324}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HD2%)
3.600 1.600 1.600 peak 324 spectrum 1 weight 0.11000E+01 volume 0.11768E-02 ppm1 4.097 ppm2 0.975 CV 1
ASSI { 325}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB1 ))
2.700 0.900 0.900 peak 325 spectrum 1 weight 0.11000E+01 volume 0.33861E-02 ppm1 4.099 ppm2 2.045 CV 1
ASSI { 329}
(( segid " " and resid 28 and name HB1 ))
( segid " " and resid 25 and name HG1%)
4.300 2.300 1.700 peak 329 spectrum 1 weight 0.11000E+01 volume 0.68658E-03 ppm1 2.062 ppm2 0.755 CV 1
ASSI { 330}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 28 and name HB2 ))
2.100 0.600 0.600 peak 330 spectrum 1 weight 0.11000E+01 volume 0.38832E-02 ppm1 2.059 ppm2 1.365 CV 1
ASSI { 331}
(( segid " " and resid 28 and name HB1 ))
( segid " " and resid 28 and name HD2%)
2.900 1.100 1.100 peak 331 spectrum 1 weight 0.11000E+01 volume 0.24079E-02 ppm1 2.064 ppm2 0.981 CV 1
ASSI { 332}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 28 and name HG ))
2.700 2.700 3.300 peak 332 spectrum 1 weight 0.11000E+01 volume 0.32314E-02 ppm1 2.065 ppm2 0.910 CV 1
ASSI { 334}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HG ))
2.800 2.800 3.200 peak 334 spectrum 1 weight 0.11000E+01 volume 0.29404E-02 ppm1 1.383 ppm2 0.891 CV 1
ASSI { 335}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HB1 ))
2.200 2.200 3.800 peak 335 spectrum 1 weight 0.11000E+01 volume 0.41398E-02 ppm1 1.382 ppm2 2.033 CV 1
OR { 335}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 28 and name HD1%)
ASSI { 339}
( segid " " and resid 28 and name HD2%)
(( segid " " and resid 28 and name HB2 ))
2.800 1.000 1.000 peak 339 spectrum 1 weight 0.11000E+01 volume 0.42051E-02 ppm1 0.989 ppm2 1.384 CV 1
ASSI { 340}
( segid " " and resid 28 and name HD2%)
( segid " " and resid 28 and name HD1%)
2.600 0.900 0.900 peak 340 spectrum 1 weight 0.11000E+01 volume 0.57044E-02 ppm1 0.975 ppm2 2.050 CV 1
ASSI { 341}
( segid " " and resid 28 and name HD2%)
(( segid " " and resid 25 and name HA ))
3.300 1.400 1.400 peak 341 spectrum 1 weight 0.11000E+01 volume 0.16469E-02 ppm1 0.976 ppm2 3.583 CV 1
ASSI { 343}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 59 and name HA ))
2.200 0.600 0.600 peak 343 spectrum 1 weight 0.11000E+01 volume 0.84896E-02 ppm1 0.882 ppm2 4.032 CV 1
ASSI { 352}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HA ))
2.300 0.600 0.600 peak 352 spectrum 1 weight 0.11000E+01 volume 0.77445E-02 ppm1 2.398 ppm2 4.398 CV 1
ASSI { 353}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HG1 ))
2.300 0.600 0.600 peak 353 spectrum 1 weight 0.11000E+01 volume 0.64861E-02 ppm1 2.400 ppm2 2.063 CV 1
ASSI { 354}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HG2 ))
2.500 0.800 0.800 peak 354 spectrum 1 weight 0.11000E+01 volume 0.81611E-02 ppm1 2.396 ppm2 1.974 CV 1
ASSI { 358}
(( segid " " and resid 33 and name HG1 ))
(( segid " " and resid 33 and name HA ))
2.900 1.000 1.000 peak 358 spectrum 1 weight 0.11000E+01 volume 0.30089E-02 ppm1 2.059 ppm2 4.398 CV 1
ASSI { 359}
(( segid " " and resid 33 and name HG1 ))
(( segid " " and resid 32 and name HA ))
3.800 1.800 1.800 peak 359 spectrum 1 weight 0.11000E+01 volume 0.29411E-02 ppm1 2.060 ppm2 4.908 CV 1
ASSI { 361}
(( segid " " and resid 33 and name HD2 ))
(( segid " " and resid 33 and name HD1 ))
1.800 0.400 0.400 peak 361 spectrum 1 weight 0.11000E+01 volume 0.84031E-02 ppm1 3.790 ppm2 4.017 CV 1
ASSI { 368}
(( segid " " and resid 33 and name HD2 ))
(( segid " " and resid 33 and name HG2 ))
2.700 0.900 0.900 peak 368 spectrum 1 weight 0.11000E+01 volume 0.26015E-02 ppm1 3.790 ppm2 2.025 CV 1
OR { 368}
(( segid " " and resid 33 and name HD2 ))
(( segid " " and resid 33 and name HG1 ))
ASSI { 369}
(( segid " " and resid 33 and name HD1 ))
(( segid " " and resid 33 and name HG1 ))
2.700 0.900 0.900 peak 369 spectrum 1 weight 0.11000E+01 volume 0.25805E-02 ppm1 4.021 ppm2 2.025 CV 1
OR { 369}
(( segid " " and resid 33 and name HD1 ))
(( segid " " and resid 33 and name HG2 ))
ASSI { 370}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HD1 ))
4.200 2.200 1.800 peak 370 spectrum 1 weight 0.11000E+01 volume 0.12519E-02 ppm1 2.396 ppm2 4.018 CV 1
ASSI { 371}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HD1 ))
3.100 1.200 1.200 peak 371 spectrum 1 weight 0.11000E+01 volume 0.18697E-02 ppm1 4.289 ppm2 3.135 CV 1
ASSI { 373}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB1 ))
4.100 2.100 1.900 peak 373 spectrum 1 weight 0.11000E+01 volume 0.10370E-02 ppm1 4.298 ppm2 1.888 CV 1
ASSI { 374}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.800 2.800 3.200 peak 374 spectrum 1 weight 0.11000E+01 volume 0.16742E-02 ppm1 4.299 ppm2 1.741 CV 1
ASSI { 376}
(( segid " " and resid 68 and name HB1 ))
(( segid " " and resid 68 and name HD1 ))
3.400 1.400 1.400 peak 376 spectrum 1 weight 0.11000E+01 volume 0.91796E-03 ppm1 2.084 ppm2 3.115 CV 1
ASSI { 382}
(( segid " " and resid 68 and name HD1 ))
(( segid " " and resid 68 and name HG1 ))
2.700 0.900 0.900 peak 382 spectrum 1 weight 0.11000E+01 volume 0.17306E-02 ppm1 3.125 ppm2 1.834 CV 1
ASSI { 383}
(( segid " " and resid 68 and name HD1 ))
(( segid " " and resid 68 and name HD2 ))
2.200 0.600 0.600 peak 383 spectrum 1 weight 0.11000E+01 volume 0.27390E-02 ppm1 3.125 ppm2 1.743 CV 1
ASSI { 386}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 68 and name HB1 ))
5.000 3.100 1.000 peak 386 spectrum 1 weight 0.11000E+01 volume 0.30366E-03 ppm1 1.763 ppm2 2.109 CV 1
ASSI { 388}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 68 and name HG1 ))
3.100 1.200 1.200 peak 388 spectrum 1 weight 0.11000E+01 volume 0.16634E-02 ppm1 1.763 ppm2 1.839 CV 1
ASSI { 392}
(( segid " " and resid 65 and name HG2 ))
(( segid " " and resid 17 and name HZ2 ))
4.000 2.000 2.000 peak 392 spectrum 1 weight 0.11000E+01 volume 0.37687E-03 ppm1 1.736 ppm2 6.968 CV 1
ASSI { 393}
( segid " " and resid 28 and name HD2%)
(( segid " " and resid 76 and name HA ))
4.200 2.200 1.800 peak 393 spectrum 1 weight 0.11000E+01 volume 0.48443E-03 ppm1 0.981 ppm2 3.675 CV 1
ASSI { 397}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
3.100 1.200 1.200 peak 397 spectrum 1 weight 0.11000E+01 volume 0.27679E-02 ppm1 3.976 ppm2 1.843 CV 1
ASSI { 398}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HG2 ))
3.900 3.900 2.100 peak 398 spectrum 1 weight 0.11000E+01 volume 0.15928E-02 ppm1 3.974 ppm2 1.733 CV 1
ASSI { 402}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HB2 ))
2.700 2.700 3.300 peak 402 spectrum 1 weight 0.11000E+01 volume 0.12229E-02 ppm1 2.256 ppm2 1.856 CV 1
OR { 402}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HG1 ))
ASSI { 405}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD1 ))
4.000 2.000 2.000 peak 405 spectrum 1 weight 0.11000E+01 volume 0.10453E-02 ppm1 1.852 ppm2 3.573 CV 1
ASSI { 406}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HB1 ))
2.000 0.500 0.500 peak 406 spectrum 1 weight 0.11000E+01 volume 0.62012E-02 ppm1 1.856 ppm2 2.244 CV 1
ASSI { 408}
(( segid " " and resid 14 and name HB1 ))
( segid " " and resid 59 and name HD2%)
3.700 3.700 2.300 peak 408 spectrum 1 weight 0.11000E+01 volume 0.23322E-02 ppm1 2.109 ppm2 0.775 CV 1
ASSI { 412}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HD2 ))
2.000 0.500 0.500 peak 412 spectrum 1 weight 0.11000E+01 volume 0.43867E-02 ppm1 3.575 ppm2 3.321 CV 1
ASSI { 416}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HB1 ))
3.100 1.200 1.200 peak 416 spectrum 1 weight 0.11000E+01 volume 0.25260E-02 ppm1 3.575 ppm2 2.251 CV 1
ASSI { 418}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 25 and name HB ))
2.600 0.900 0.900 peak 418 spectrum 1 weight 0.11000E+01 volume 0.13903E-02 ppm1 3.575 ppm2 1.851 CV 1
ASSI { 436}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB1 ))
2.700 0.900 0.900 peak 436 spectrum 1 weight 0.11000E+01 volume 0.20801E-02 ppm1 4.772 ppm2 3.186 CV 1
ASSI { 437}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
2.600 0.800 0.800 peak 437 spectrum 1 weight 0.11000E+01 volume 0.30334E-02 ppm1 4.772 ppm2 3.027 CV 1
ASSI { 438}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB2 ))
2.800 2.800 3.200 peak 438 spectrum 1 weight 0.11000E+01 volume 0.22739E-02 ppm1 4.192 ppm2 3.208 CV 1
ASSI { 442}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB1 ))
2.800 1.000 1.000 peak 442 spectrum 1 weight 0.11000E+01 volume 0.34991E-02 ppm1 4.250 ppm2 3.304 CV 1
ASSI { 447}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HB1 ))
4.000 2.000 2.000 peak 447 spectrum 1 weight 0.11000E+01 volume 0.15673E-02 ppm1 4.379 ppm2 3.118 CV 1
ASSI { 458}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG1%)
2.600 0.800 0.800 peak 458 spectrum 1 weight 0.11000E+01 volume 0.37792E-02 ppm1 3.157 ppm2 1.138 CV 1
ASSI { 459}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 51 and name HA ))
3.200 1.300 1.300 peak 459 spectrum 1 weight 0.11000E+01 volume 0.13190E-02 ppm1 2.164 ppm2 3.137 CV 1
ASSI { 460}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG1%)
2.300 0.600 0.600 peak 460 spectrum 1 weight 0.11000E+01 volume 0.61933E-02 ppm1 2.166 ppm2 1.139 CV 1
ASSI { 464}
( segid " " and resid 51 and name HG1%)
( segid " " and resid 51 and name HG2%)
2.200 2.200 3.800 peak 464 spectrum 1 weight 0.11000E+01 volume 0.11157E-01 ppm1 1.156 ppm2 0.891 CV 1
ASSI { 467}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 51 and name HB ))
2.300 0.600 0.600 peak 467 spectrum 1 weight 0.11000E+01 volume 0.68945E-02 ppm1 0.907 ppm2 2.163 CV 1
ASSI { 470}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG11))
2.600 2.600 3.400 peak 470 spectrum 1 weight 0.11000E+01 volume 0.19279E-02 ppm1 3.265 ppm2 1.241 CV 1
ASSI { 476}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 50 and name HG2%)
2.400 0.700 0.700 peak 476 spectrum 1 weight 0.11000E+01 volume 0.39672E-02 ppm1 1.594 ppm2 0.661 CV 1
ASSI { 477}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 50 and name HD1%)
2.600 0.800 0.800 peak 477 spectrum 1 weight 0.11000E+01 volume 0.31445E-02 ppm1 1.593 ppm2 0.454 CV 1
ASSI { 480}
(( segid " " and resid 50 and name HG11))
( segid " " and resid 50 and name HG2%)
3.700 3.700 2.300 peak 480 spectrum 1 weight 0.11000E+01 volume 0.12048E-02 ppm1 1.252 ppm2 0.658 CV 1
ASSI { 481}
(( segid " " and resid 50 and name HG11))
( segid " " and resid 50 and name HD1%)
2.600 2.600 3.400 peak 481 spectrum 1 weight 0.11000E+01 volume 0.23634E-02 ppm1 1.248 ppm2 0.454 CV 1
ASSI { 482}
(( segid " " and resid 50 and name HG11))
(( segid " " and resid 50 and name HG12))
2.100 2.100 3.900 peak 482 spectrum 1 weight 0.11000E+01 volume 0.30831E-02 ppm1 1.242 ppm2 -0.007 CV 1
ASSI { 488}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 50 and name HA ))
3.000 1.100 1.100 peak 488 spectrum 1 weight 0.11000E+01 volume 0.42278E-02 ppm1 0.664 ppm2 3.261 CV 1
ASSI { 490}
( segid " " and resid 50 and name HG2%)
( segid " " and resid 50 and name HD1%)
2.400 2.400 3.600 peak 490 spectrum 1 weight 0.11000E+01 volume 0.59867E-02 ppm1 0.655 ppm2 0.451 CV 1
ASSI { 491}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 50 and name HG12))
2.400 0.700 0.700 peak 491 spectrum 1 weight 0.11000E+01 volume 0.37583E-02 ppm1 0.668 ppm2 -0.005 CV 1
ASSI { 495}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HG12))
2.500 0.800 0.800 peak 495 spectrum 1 weight 0.11000E+01 volume 0.32820E-02 ppm1 0.460 ppm2 -0.004 CV 1
ASSI { 499}
(( segid " " and resid 50 and name HG11))
(( segid " " and resid 50 and name HB ))
1.900 1.900 4.100 peak 499 spectrum 1 weight 0.11000E+01 volume 0.13736E-01 ppm1 1.237 ppm2 1.583 CV 1
ASSI { 503}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HG12))
3.000 1.100 1.100 peak 503 spectrum 1 weight 0.11000E+01 volume 0.27393E-02 ppm1 3.716 ppm2 1.179 CV 1
ASSI { 504}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 90 and name HG2%)
2.500 0.800 0.800 peak 504 spectrum 1 weight 0.11000E+01 volume 0.57040E-02 ppm1 3.716 ppm2 0.773 CV 1
ASSI { 505}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 90 and name HD1%)
2.600 0.800 0.800 peak 505 spectrum 1 weight 0.11000E+01 volume 0.40895E-02 ppm1 3.716 ppm2 0.698 CV 1
ASSI { 507}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 90 and name HA ))
2.800 0.900 0.900 peak 507 spectrum 1 weight 0.11000E+01 volume 0.35159E-02 ppm1 1.982 ppm2 3.702 CV 1
ASSI { 508}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 90 and name HG11))
2.500 0.800 0.800 peak 508 spectrum 1 weight 0.11000E+01 volume 0.36038E-02 ppm1 1.986 ppm2 1.400 CV 1
ASSI { 509}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 90 and name HG12))
2.600 0.800 0.800 peak 509 spectrum 1 weight 0.11000E+01 volume 0.30725E-02 ppm1 1.986 ppm2 1.190 CV 1
ASSI { 510}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 90 and name HG2%)
2.300 0.600 0.600 peak 510 spectrum 1 weight 0.11000E+01 volume 0.74681E-02 ppm1 1.989 ppm2 0.786 CV 1
ASSI { 518}
(( segid " " and resid 90 and name HG11))
(( segid " " and resid 90 and name HG12))
1.800 0.400 0.400 peak 518 spectrum 1 weight 0.11000E+01 volume 0.94101E-02 ppm1 1.408 ppm2 1.197 CV 1
ASSI { 526}
( segid " " and resid 91 and name HD1%)
(( segid " " and resid 91 and name HG11))
2.500 2.500 3.500 peak 526 spectrum 1 weight 0.11000E+01 volume 0.59923E-02 ppm1 0.737 ppm2 1.568 CV 1
ASSI { 527}
( segid " " and resid 91 and name HD1%)
(( segid " " and resid 91 and name HG12))
2.500 2.500 3.500 peak 527 spectrum 1 weight 0.11000E+01 volume 0.59349E-02 ppm1 0.738 ppm2 1.200 CV 1
ASSI { 533}
( segid " " and resid 90 and name HG2%)
( segid " " and resid 90 and name HD1%)
2.500 2.500 3.500 peak 533 spectrum 1 weight 0.11000E+01 volume 0.55981E-02 ppm1 0.791 ppm2 0.706 CV 1
ASSI { 536}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HD1 ))
2.700 0.900 0.900 peak 536 spectrum 1 weight 0.11000E+01 volume 0.36070E-02 ppm1 1.889 ppm2 3.184 CV 1
ASSI { 540}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HA ))
3.400 1.400 1.400 peak 540 spectrum 1 weight 0.11000E+01 volume 0.30229E-02 ppm1 3.194 ppm2 4.089 CV 1
ASSI { 541}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HB2 ))
2.500 0.800 0.800 peak 541 spectrum 1 weight 0.11000E+01 volume 0.61918E-02 ppm1 3.195 ppm2 1.896 CV 1
ASSI { 542}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG2 ))
2.400 0.700 0.700 peak 542 spectrum 1 weight 0.11000E+01 volume 0.11879E-01 ppm1 3.191 ppm2 1.585 CV 1
ASSI { 547}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 54 and name HD2%)
2.700 2.700 3.300 peak 547 spectrum 1 weight 0.11000E+01 volume 0.44554E-02 ppm1 3.330 ppm2 -0.005 CV 1
ASSI { 550}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 54 and name HG ))
3.700 1.700 1.700 peak 550 spectrum 1 weight 0.11000E+01 volume 0.83203E-03 ppm1 0.701 ppm2 1.191 CV 1
ASSI { 552}
(( segid " " and resid 54 and name HB1 ))
( segid " " and resid 54 and name HD1%)
3.100 1.200 1.200 peak 552 spectrum 1 weight 0.11000E+01 volume 0.14553E-02 ppm1 0.706 ppm2 0.211 CV 1
ASSI { 553}
(( segid " " and resid 54 and name HB1 ))
( segid " " and resid 54 and name HD2%)
3.000 1.100 1.100 peak 553 spectrum 1 weight 0.11000E+01 volume 0.12083E-02 ppm1 0.703 ppm2 -0.007 CV 1
ASSI { 566}
( segid " " and resid 54 and name HD1%)
(( segid " " and resid 54 and name HA ))
4.100 2.100 1.900 peak 566 spectrum 1 weight 0.11000E+01 volume 0.16039E-02 ppm1 0.214 ppm2 3.325 CV 1
ASSI { 568}
( segid " " and resid 54 and name HD1%)
( segid " " and resid 54 and name HD2%)
2.400 0.700 0.700 peak 568 spectrum 1 weight 0.11000E+01 volume 0.70053E-02 ppm1 0.213 ppm2 -0.005 CV 1
ASSI { 569}
( segid " " and resid 54 and name HD1%)
(( segid " " and resid 54 and name HB2 ))
2.700 0.900 0.900 peak 569 spectrum 1 weight 0.11000E+01 volume 0.25308E-02 ppm1 0.212 ppm2 -0.105 CV 1
ASSI { 580}
(( segid " " and resid 83 and name HB ))
(( segid " " and resid 83 and name HG11))
3.000 1.100 1.100 peak 580 spectrum 1 weight 0.11000E+01 volume 0.17841E-02 ppm1 1.987 ppm2 2.072 CV 1
ASSI { 588}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 83 and name HD1%)
2.600 0.800 0.800 peak 588 spectrum 1 weight 0.11000E+01 volume 0.36881E-02 ppm1 3.264 ppm2 0.767 CV 1
ASSI { 590}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 83 and name HG2%)
2.900 1.000 1.000 peak 590 spectrum 1 weight 0.11000E+01 volume 0.45676E-02 ppm1 3.265 ppm2 0.928 CV 1
ASSI { 592}
(( segid " " and resid 92 and name HB1 ))
(( segid " " and resid 92 and name HA ))
2.700 0.900 0.900 peak 592 spectrum 1 weight 0.11000E+01 volume 0.47955E-02 ppm1 1.720 ppm2 4.039 CV 1
ASSI { 593}
(( segid " " and resid 92 and name HB2 ))
(( segid " " and resid 92 and name HA ))
2.500 0.800 0.800 peak 593 spectrum 1 weight 0.11000E+01 volume 0.46306E-02 ppm1 1.617 ppm2 4.034 CV 1
ASSI { 594}
( segid " " and resid 92 and name HD1%)
(( segid " " and resid 92 and name HA ))
2.600 2.600 3.400 peak 594 spectrum 1 weight 0.11000E+01 volume 0.65145E-02 ppm1 0.808 ppm2 4.057 CV 1
ASSI { 595}
( segid " " and resid 92 and name HD1%)
(( segid " " and resid 92 and name HB2 ))
2.200 2.200 3.800 peak 595 spectrum 1 weight 0.11000E+01 volume 0.12169E-01 ppm1 0.808 ppm2 1.602 CV 1
ASSI { 596}
( segid " " and resid 92 and name HD1%)
(( segid " " and resid 92 and name HB1 ))
3.100 1.200 1.200 peak 596 spectrum 1 weight 0.11000E+01 volume 0.46892E-02 ppm1 0.808 ppm2 1.696 CV 1
ASSI { 598}
(( segid " " and resid 56 and name HB ))
( segid " " and resid 56 and name HG2%)
2.400 0.700 0.700 peak 598 spectrum 1 weight 0.11000E+01 volume 0.78746E-02 ppm1 4.226 ppm2 1.136 CV 1
ASSI { 602}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 55 and name HA ))
2.700 2.700 3.300 peak 602 spectrum 1 weight 0.11000E+01 volume 0.97752E-02 ppm1 1.378 ppm2 4.357 CV 1
ASSI { 610}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HG ))
3.100 1.200 1.200 peak 610 spectrum 1 weight 0.11000E+01 volume 0.19941E-02 ppm1 4.039 ppm2 1.527 CV 1
ASSI { 611}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB1 ))
3.000 1.100 1.100 peak 611 spectrum 1 weight 0.11000E+01 volume 0.22341E-02 ppm1 4.043 ppm2 1.629 CV 1
ASSI { 612}
(( segid " " and resid 59 and name HB1 ))
(( segid " " and resid 59 and name HB2 ))
2.000 0.500 0.500 peak 612 spectrum 1 weight 0.11000E+01 volume 0.55593E-02 ppm1 1.632 ppm2 1.349 CV 1
ASSI { 615}
(( segid " " and resid 59 and name HB1 ))
( segid " " and resid 59 and name HD1%)
3.600 1.600 1.600 peak 615 spectrum 1 weight 0.11000E+01 volume 0.17513E-02 ppm1 1.624 ppm2 0.882 CV 1
ASSI { 618}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD1%)
3.000 1.100 1.100 peak 618 spectrum 1 weight 0.11000E+01 volume 0.17981E-02 ppm1 1.365 ppm2 0.872 CV 1
ASSI { 625}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HB2 ))
2.900 1.100 1.100 peak 625 spectrum 1 weight 0.11000E+01 volume 0.32155E-02 ppm1 1.534 ppm2 1.355 CV 1
ASSI { 626}
(( segid " " and resid 59 and name HG ))
( segid " " and resid 59 and name HD1%)
2.500 0.800 0.800 peak 626 spectrum 1 weight 0.11000E+01 volume 0.43875E-02 ppm1 1.533 ppm2 0.878 CV 1
ASSI { 629}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 14 and name HA ))
3.300 3.300 2.700 peak 629 spectrum 1 weight 0.11000E+01 volume 0.16542E-02 ppm1 0.815 ppm2 3.901 CV 1
ASSI { 630}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HB1 ))
2.700 0.900 0.900 peak 630 spectrum 1 weight 0.11000E+01 volume 0.41797E-02 ppm1 0.815 ppm2 1.623 CV 1
ASSI { 631}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HG ))
2.400 0.700 0.700 peak 631 spectrum 1 weight 0.11000E+01 volume 0.65700E-02 ppm1 0.815 ppm2 1.519 CV 1
ASSI { 634}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 53 and name HD1%)
2.800 1.000 1.000 peak 634 spectrum 1 weight 0.11000E+01 volume 0.45803E-02 ppm1 3.544 ppm2 0.730 CV 1
ASSI { 635}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 53 and name HG2%)
3.200 1.300 1.300 peak 635 spectrum 1 weight 0.11000E+01 volume 0.20110E-02 ppm1 3.544 ppm2 0.936 CV 1
ASSI { 636}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG12))
2.900 2.900 3.100 peak 636 spectrum 1 weight 0.11000E+01 volume 0.24098E-02 ppm1 3.532 ppm2 1.774 CV 1
OR { 636}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG11))
ASSI { 639}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 53 and name HG12))
3.300 3.300 2.700 peak 639 spectrum 1 weight 0.11000E+01 volume 0.10204E-02 ppm1 1.656 ppm2 1.785 CV 1
OR { 639}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 53 and name HG11))
ASSI { 640}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 53 and name HG2%)
2.700 2.700 3.300 peak 640 spectrum 1 weight 0.11000E+01 volume 0.32206E-02 ppm1 1.655 ppm2 0.925 CV 1
ASSI { 641}
(( segid " " and resid 53 and name HB ))
( segid " " and resid 53 and name HD1%)
2.700 2.700 3.300 peak 641 spectrum 1 weight 0.11000E+01 volume 0.44475E-02 ppm1 1.651 ppm2 0.733 CV 1
ASSI { 642}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 53 and name HA ))
3.400 1.500 1.500 peak 642 spectrum 1 weight 0.11000E+01 volume 0.80339E-03 ppm1 1.660 ppm2 3.529 CV 1
ASSI { 643}
( segid " " and resid 53 and name HG2%)
( segid " " and resid 53 and name HD1%)
2.600 2.600 3.400 peak 643 spectrum 1 weight 0.11000E+01 volume 0.82327E-02 ppm1 0.935 ppm2 0.733 CV 1
ASSI { 647}
( segid " " and resid 53 and name HD1%)
( segid " " and resid 86 and name HE% )
4.600 4.600 1.400 peak 647 spectrum 1 weight 0.11000E+01 volume 0.26260E-03 ppm1 0.757 ppm2 6.742 CV 1
ASSI { 649}
(( segid " " and resid 53 and name HG12))
(( segid " " and resid 53 and name HA ))
3.500 3.500 2.500 peak 649 spectrum 1 weight 0.11000E+01 volume 0.13391E-02 ppm1 1.851 ppm2 3.575 CV 1
ASSI { 650}
(( segid " " and resid 53 and name HG11))
( segid " " and resid 53 and name HG2%)
2.900 1.100 1.100 peak 650 spectrum 1 weight 0.11000E+01 volume 0.26260E-02 ppm1 1.847 ppm2 0.930 CV 1
OR { 650}
(( segid " " and resid 53 and name HG12))
( segid " " and resid 53 and name HG2%)
ASSI { 651}
(( segid " " and resid 53 and name HG11))
( segid " " and resid 53 and name HD1%)
3.100 1.200 1.200 peak 651 spectrum 1 weight 0.11000E+01 volume 0.15371E-02 ppm1 1.853 ppm2 0.734 CV 1
ASSI { 652}
(( segid " " and resid 63 and name HB1 ))
( segid " " and resid 59 and name HD1%)
4.700 2.700 1.300 peak 652 spectrum 1 weight 0.11000E+01 volume 0.82599E-03 ppm1 4.069 ppm2 0.878 CV 1
ASSI { 653}
(( segid " " and resid 63 and name HB2 ))
( segid " " and resid 59 and name HD1%)
4.100 2.100 1.900 peak 653 spectrum 1 weight 0.11000E+01 volume 0.76359E-03 ppm1 3.986 ppm2 0.873 CV 1
ASSI { 669}
(( segid " " and resid 21 and name HB1 ))
( segid " " and resid 54 and name HD1%)
4.500 4.500 1.500 peak 669 spectrum 1 weight 0.11000E+01 volume 0.23172E-03 ppm1 3.074 ppm2 0.198 CV 1
ASSI { 671}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 54 and name HD1%)
5.100 5.100 0.900 peak 671 spectrum 1 weight 0.11000E+01 volume 0.21453E-03 ppm1 2.935 ppm2 0.198 CV 1
ASSI { 675}
(( segid " " and resid 82 and name HB1 ))
( segid " " and resid 54 and name HD2%)
3.000 3.000 3.000 peak 675 spectrum 1 weight 0.11000E+01 volume 0.54717E-03 ppm1 3.326 ppm2 0.001 CV 1
ASSI { 676}
(( segid " " and resid 82 and name HB1 ))
( segid " " and resid 82 and name HD% )
3.600 1.600 1.600 peak 676 spectrum 1 weight 0.11000E+01 volume 0.46821E-03 ppm1 3.327 ppm2 7.070 CV 1
ASSI { 686}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 24 and name HE% )
6.000 5.100 0.000 peak 686 spectrum 1 weight 0.11000E+01 volume 0.86895E-04 ppm1 2.906 ppm2 6.619 CV 1
ASSI { 689}
(( segid " " and resid 50 and name HG12))
( segid " " and resid 25 and name HG1%)
4.800 2.900 1.200 peak 689 spectrum 1 weight 0.11000E+01 volume 0.33963E-03 ppm1 0.005 ppm2 0.764 CV 1
ASSI { 691}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 50 and name HD1%)
4.000 2.000 2.000 peak 691 spectrum 1 weight 0.11000E+01 volume 0.14225E-02 ppm1 3.630 ppm2 0.453 CV 1
ASSI { 696}
( segid " " and resid 47 and name HB% )
( segid " " and resid 50 and name HD1%)
4.900 4.900 1.100 peak 696 spectrum 1 weight 0.11000E+01 volume 0.63310E-03 ppm1 1.342 ppm2 0.456 CV 1
ASSI { 697}
( segid " " and resid 47 and name HB% )
( segid " " and resid 29 and name HD1%)
2.700 2.700 3.300 peak 697 spectrum 1 weight 0.11000E+01 volume 0.53337E-02 ppm1 1.340 ppm2 0.679 CV 1
ASSI { 698}
( segid " " and resid 47 and name HB% )
( segid " " and resid 29 and name HG2%)
2.700 2.700 3.300 peak 698 spectrum 1 weight 0.11000E+01 volume 0.52829E-02 ppm1 1.343 ppm2 0.770 CV 1
ASSI { 703}
( segid " " and resid 47 and name HB% )
(( segid " " and resid 26 and name HA ))
3.200 3.200 2.800 peak 703 spectrum 1 weight 0.11000E+01 volume 0.14696E-02 ppm1 1.333 ppm2 3.969 CV 1
ASSI { 708}
(( segid " " and resid 56 and name HB ))
(( segid " " and resid 56 and name HA ))
3.000 1.100 1.100 peak 708 spectrum 1 weight 0.11000E+01 volume 0.24557E-02 ppm1 4.229 ppm2 3.646 CV 1
ASSI { 710}
( segid " " and resid 79 and name HG1%)
( segid " " and resid 54 and name HD2%)
3.500 1.500 1.500 peak 710 spectrum 1 weight 0.11000E+01 volume 0.16730E-02 ppm1 1.361 ppm2 -0.010 CV 1
ASSI { 711}
( segid " " and resid 56 and name HG2%)
(( segid " " and resid 53 and name HA ))
4.200 2.200 1.800 peak 711 spectrum 1 weight 0.11000E+01 volume 0.87183E-03 ppm1 1.140 ppm2 3.533 CV 1
ASSI { 712}
( segid " " and resid 56 and name HG2%)
(( segid " " and resid 56 and name HA ))
2.400 0.700 0.700 peak 712 spectrum 1 weight 0.11000E+01 volume 0.89547E-02 ppm1 1.143 ppm2 3.643 CV 1
ASSI { 715}
( segid " " and resid 79 and name HG2%)
( segid " " and resid 54 and name HD1%)
3.600 3.600 2.400 peak 715 spectrum 1 weight 0.11000E+01 volume 0.34039E-02 ppm1 1.016 ppm2 0.210 CV 1
ASSI { 718}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 22 and name HA ))
3.600 3.600 2.400 peak 718 spectrum 1 weight 0.11000E+01 volume 0.22644E-02 ppm1 2.168 ppm2 3.785 CV 1
ASSI { 719}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 22 and name HA ))
3.600 1.600 1.600 peak 719 spectrum 1 weight 0.11000E+01 volume 0.12204E-02 ppm1 1.149 ppm2 3.783 CV 1
ASSI { 720}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 22 and name HA ))
2.600 0.800 0.800 peak 720 spectrum 1 weight 0.11000E+01 volume 0.43271E-02 ppm1 0.906 ppm2 3.773 CV 1
ASSI { 727}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 26 and name HA ))
3.100 3.100 2.900 peak 727 spectrum 1 weight 0.11000E+01 volume 0.19843E-02 ppm1 0.683 ppm2 3.974 CV 1
ASSI { 730}
(( segid " " and resid 17 and name HB1 ))
( segid " " and resid 55 and name HG2%)
3.400 1.400 1.400 peak 730 spectrum 1 weight 0.11000E+01 volume 0.17481E-02 ppm1 3.685 ppm2 1.357 CV 1
ASSI { 731}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 55 and name HG2%)
3.600 1.600 1.600 peak 731 spectrum 1 weight 0.11000E+01 volume 0.19213E-02 ppm1 3.414 ppm2 1.357 CV 1
ASSI { 734}
(( segid " " and resid 33 and name HD1 ))
(( segid " " and resid 32 and name HA ))
2.300 0.700 0.700 peak 734 spectrum 1 weight 0.11000E+01 volume 0.63228E-02 ppm1 4.021 ppm2 4.901 CV 1
ASSI { 736}
(( segid " " and resid 33 and name HD1 ))
(( segid " " and resid 32 and name HB2 ))
5.300 3.500 0.700 peak 736 spectrum 1 weight 0.11000E+01 volume 0.66524E-03 ppm1 4.018 ppm2 2.681 CV 1
ASSI { 739}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 43 and name HA ))
3.000 1.100 1.100 peak 739 spectrum 1 weight 0.11000E+01 volume 0.22163E-02 ppm1 2.723 ppm2 3.644 CV 1
ASSI { 747}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 32 and name HB2 ))
1.800 0.400 0.400 peak 747 spectrum 1 weight 0.11000E+01 volume 0.75091E-02 ppm1 3.062 ppm2 2.695 CV 1
ASSI { 750}
(( segid " " and resid 46 and name HB1 ))
( segid " " and resid 50 and name HD1%)
4.700 4.700 1.300 peak 750 spectrum 1 weight 0.11000E+01 volume 0.36063E-03 ppm1 3.079 ppm2 0.441 CV 1
ASSI { 751}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 50 and name HD1%)
4.100 4.100 1.900 peak 751 spectrum 1 weight 0.11000E+01 volume 0.11172E-02 ppm1 2.726 ppm2 0.444 CV 1
ASSI { 752}
(( segid " " and resid 46 and name HB1 ))
( segid " " and resid 29 and name HD1%)
3.100 1.200 1.200 peak 752 spectrum 1 weight 0.11000E+01 volume 0.11516E-02 ppm1 3.071 ppm2 0.676 CV 1
ASSI { 753}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 29 and name HD1%)
3.600 1.600 1.600 peak 753 spectrum 1 weight 0.11000E+01 volume 0.15597E-02 ppm1 2.725 ppm2 0.672 CV 1
ASSI { 757}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 13 and name HA ))
4.300 4.300 1.700 peak 757 spectrum 1 weight 0.11000E+01 volume 0.14842E-02 ppm1 2.787 ppm2 4.185 CV 1
ASSI { 759}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 18 and name HA ))
5.300 3.500 0.700 peak 759 spectrum 1 weight 0.11000E+01 volume 0.22122E-03 ppm1 3.162 ppm2 4.387 CV 1
ASSI { 760}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 21 and name HB2 ))
3.600 3.600 2.400 peak 760 spectrum 1 weight 0.11000E+01 volume 0.57357E-03 ppm1 3.158 ppm2 2.929 CV 1
ASSI { 761}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 54 and name HB1 ))
3.100 3.100 2.900 peak 761 spectrum 1 weight 0.11000E+01 volume 0.13846E-02 ppm1 3.162 ppm2 0.665 CV 1
ASSI { 762}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 54 and name HD1%)
3.700 3.700 2.300 peak 762 spectrum 1 weight 0.11000E+01 volume 0.87597E-03 ppm1 3.156 ppm2 0.216 CV 1
ASSI { 763}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 54 and name HB2 ))
3.900 1.900 1.900 peak 763 spectrum 1 weight 0.11000E+01 volume 0.38195E-03 ppm1 3.160 ppm2 -0.115 CV 1
ASSI { 765}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 25 and name HG1%)
3.100 1.200 1.200 peak 765 spectrum 1 weight 0.11000E+01 volume 0.13767E-02 ppm1 3.978 ppm2 0.780 CV 1
ASSI { 770}
(( segid " " and resid 65 and name HD1 ))
(( segid " " and resid 65 and name HA ))
3.000 1.100 1.100 peak 770 spectrum 1 weight 0.11000E+01 volume 0.31171E-02 ppm1 3.268 ppm2 4.271 CV 1
ASSI { 771}
(( segid " " and resid 65 and name HD1 ))
(( segid " " and resid 65 and name HB1 ))
2.500 0.800 0.800 peak 771 spectrum 1 weight 0.11000E+01 volume 0.43808E-02 ppm1 3.268 ppm2 1.989 CV 1
ASSI { 777}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 66 and name HA ))
2.200 0.600 0.600 peak 777 spectrum 1 weight 0.11000E+01 volume 0.99252E-02 ppm1 1.190 ppm2 4.241 CV 1
ASSI { 780}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HD1 ))
2.400 0.700 0.700 peak 780 spectrum 1 weight 0.11000E+01 volume 0.32177E-02 ppm1 4.247 ppm2 3.067 CV 1
ASSI { 781}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HD2 ))
2.800 1.000 1.000 peak 781 spectrum 1 weight 0.11000E+01 volume 0.37643E-02 ppm1 4.248 ppm2 2.092 CV 1
ASSI { 784}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 67 and name HD1 ))
3.100 1.200 1.200 peak 784 spectrum 1 weight 0.11000E+01 volume 0.67666E-02 ppm1 1.189 ppm2 3.078 CV 1
ASSI { 785}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 67 and name HD2 ))
2.600 0.800 0.800 peak 785 spectrum 1 weight 0.11000E+01 volume 0.50073E-02 ppm1 1.185 ppm2 2.088 CV 1
ASSI { 786}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 33 and name HD2 ))
2.900 1.000 1.000 peak 786 spectrum 1 weight 0.11000E+01 volume 0.54206E-03 ppm1 3.062 ppm2 3.774 CV 1
ASSI { 787}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 29 and name HA ))
4.600 2.600 1.400 peak 787 spectrum 1 weight 0.11000E+01 volume 0.64328E-03 ppm1 3.057 ppm2 3.536 CV 1
ASSI { 793}
( segid " " and resid 54 and name HD2%)
( segid " " and resid 82 and name HD% )
4.800 4.800 1.200 peak 793 spectrum 1 weight 0.11000E+01 volume 0.53505E-03 ppm1 -0.004 ppm2 7.060 CV 1
ASSI { 795}
( segid " " and resid 79 and name HG2%)
( segid " " and resid 24 and name HE% )
3.300 1.400 1.400 peak 795 spectrum 1 weight 0.11000E+01 volume 0.77825E-03 ppm1 1.024 ppm2 6.612 CV 1
ASSI { 799}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 24 and name HB1 ))
3.900 1.900 1.900 peak 799 spectrum 1 weight 0.11000E+01 volume 0.74991E-03 ppm1 0.424 ppm2 3.102 CV 1
ASSI { 804}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG2%)
3.000 1.200 1.200 peak 804 spectrum 1 weight 0.11000E+01 volume 0.22587E-02 ppm1 3.655 ppm2 0.860 CV 1
ASSI { 813}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 43 and name HG11))
2.300 0.700 0.700 peak 813 spectrum 1 weight 0.11000E+01 volume 0.28169E-02 ppm1 2.036 ppm2 1.580 CV 1
ASSI { 814}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 43 and name HG12))
3.000 1.100 1.100 peak 814 spectrum 1 weight 0.11000E+01 volume 0.19553E-02 ppm1 2.026 ppm2 1.180 CV 1
ASSI { 815}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 43 and name HG2%)
2.400 0.700 0.700 peak 815 spectrum 1 weight 0.11000E+01 volume 0.59009E-02 ppm1 2.037 ppm2 0.877 CV 1
ASSI { 816}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 43 and name HD1%)
2.900 1.000 1.000 peak 816 spectrum 1 weight 0.11000E+01 volume 0.29093E-02 ppm1 2.036 ppm2 0.728 CV 1
ASSI { 819}
(( segid " " and resid 83 and name HB ))
( segid " " and resid 50 and name HD1%)
3.600 1.600 1.600 peak 819 spectrum 1 weight 0.11000E+01 volume 0.37400E-03 ppm1 1.981 ppm2 0.442 CV 1
ASSI { 824}
(( segid " " and resid 83 and name HG11))
( segid " " and resid 50 and name HG2%)
4.200 4.200 1.800 peak 824 spectrum 1 weight 0.11000E+01 volume 0.95999E-03 ppm1 2.096 ppm2 0.655 CV 1
ASSI { 830}
(( segid " " and resid 83 and name HG12))
( segid " " and resid 83 and name HD1%)
2.700 0.900 0.900 peak 830 spectrum 1 weight 0.11000E+01 volume 0.20890E-02 ppm1 0.962 ppm2 0.759 CV 1
ASSI { 831}
(( segid " " and resid 83 and name HG12))
( segid " " and resid 50 and name HG2%)
3.900 3.900 2.100 peak 831 spectrum 1 weight 0.11000E+01 volume 0.98420E-03 ppm1 0.967 ppm2 0.654 CV 1
ASSI { 833}
(( segid " " and resid 83 and name HG12))
( segid " " and resid 83 and name HG2%)
2.500 0.800 0.800 peak 833 spectrum 1 weight 0.11000E+01 volume 0.35821E-02 ppm1 0.969 ppm2 0.903 CV 1
ASSI { 835}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 10 and name HB1 ))
3.500 1.600 1.600 peak 835 spectrum 1 weight 0.11000E+01 volume 0.19305E-02 ppm1 1.732 ppm2 3.910 CV 1
ASSI { 837}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 83 and name HG11))
3.900 1.900 1.900 peak 837 spectrum 1 weight 0.11000E+01 volume 0.10762E-02 ppm1 0.461 ppm2 2.082 CV 1
ASSI { 838}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 86 and name HB1 ))
4.100 4.100 1.900 peak 838 spectrum 1 weight 0.11000E+01 volume 0.11252E-02 ppm1 0.454 ppm2 2.747 CV 1
ASSI { 842}
(( segid " " and resid 92 and name HB1 ))
( segid " " and resid 92 and name HD2%)
2.800 1.000 1.000 peak 842 spectrum 1 weight 0.11000E+01 volume 0.30229E-02 ppm1 1.711 ppm2 0.781 CV 1
ASSI { 843}
(( segid " " and resid 92 and name HB2 ))
( segid " " and resid 92 and name HD2%)
3.000 1.100 1.100 peak 843 spectrum 1 weight 0.11000E+01 volume 0.31123E-02 ppm1 1.620 ppm2 0.787 CV 1
ASSI { 844}
(( segid " " and resid 32 and name HB1 ))
( segid " " and resid 87 and name HE% )
5.100 3.200 0.900 peak 844 spectrum 1 weight 0.11000E+01 volume 0.38258E-03 ppm1 3.063 ppm2 1.535 CV 1
ASSI { 845}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 87 and name HE% )
5.400 3.700 0.600 peak 845 spectrum 1 weight 0.11000E+01 volume 0.21008E-03 ppm1 2.703 ppm2 1.534 CV 1
ASSI { 846}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HD2 ))
5.000 3.100 1.000 peak 846 spectrum 1 weight 0.11000E+01 volume 0.51819E-03 ppm1 2.702 ppm2 3.774 CV 1
ASSI { 849}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 33 and name HD1 ))
4.600 2.700 1.400 peak 849 spectrum 1 weight 0.11000E+01 volume 0.34631E-03 ppm1 3.059 ppm2 4.006 CV 1
ASSI { 851}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HA ))
3.200 1.300 1.300 peak 851 spectrum 1 weight 0.11000E+01 volume 0.35220E-02 ppm1 2.259 ppm2 4.251 CV 1
ASSI { 853}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HA ))
3.000 1.100 1.100 peak 853 spectrum 1 weight 0.11000E+01 volume 0.23344E-02 ppm1 2.142 ppm2 4.246 CV 1
ASSI { 855}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HB1 ))
2.600 0.900 0.900 peak 855 spectrum 1 weight 0.11000E+01 volume 0.41842E-02 ppm1 2.256 ppm2 1.828 CV 1
OR { 855}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HB2 ))
ASSI { 856}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HB2 ))
2.600 0.900 0.900 peak 856 spectrum 1 weight 0.11000E+01 volume 0.52673E-02 ppm1 2.138 ppm2 1.840 CV 1
OR { 856}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HB1 ))
ASSI { 857}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
3.100 1.200 1.200 peak 857 spectrum 1 weight 0.11000E+01 volume 0.16618E-02 ppm1 1.818 ppm2 4.234 CV 1
OR { 857}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HA ))
ASSI { 859}
(( segid " " and resid 96 and name HB1 ))
(( segid " " and resid 96 and name HA ))
2.500 0.800 0.800 peak 859 spectrum 1 weight 0.11000E+01 volume 0.88466E-02 ppm1 2.005 ppm2 4.138 CV 1
ASSI { 860}
(( segid " " and resid 96 and name HG1 ))
(( segid " " and resid 96 and name HB1 ))
3.000 1.100 1.100 peak 860 spectrum 1 weight 0.11000E+01 volume 0.25340E-02 ppm1 2.434 ppm2 2.006 CV 1
ASSI { 861}
(( segid " " and resid 96 and name HG2 ))
(( segid " " and resid 96 and name HB1 ))
2.600 0.900 0.900 peak 861 spectrum 1 weight 0.11000E+01 volume 0.39217E-02 ppm1 2.302 ppm2 2.006 CV 1
ASSI { 862}
(( segid " " and resid 96 and name HG1 ))
(( segid " " and resid 96 and name HA ))
3.100 1.200 1.200 peak 862 spectrum 1 weight 0.11000E+01 volume 0.19731E-02 ppm1 2.434 ppm2 4.141 CV 1
ASSI { 864}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 96 and name HG2 ))
3.000 1.100 1.100 peak 864 spectrum 1 weight 0.11000E+01 volume 0.34361E-02 ppm1 4.134 ppm2 2.311 CV 1
ASSI { 866}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB1 ))
2.600 0.900 0.900 peak 866 spectrum 1 weight 0.11000E+01 volume 0.50375E-02 ppm1 3.915 ppm2 2.195 CV 1
OR { 866}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 867}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HG2 ))
2.900 1.000 1.000 peak 867 spectrum 1 weight 0.11000E+01 volume 0.30162E-02 ppm1 3.917 ppm2 2.446 CV 1
OR { 867}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HG1 ))
ASSI { 868}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HG1 ))
2.400 0.700 0.700 peak 868 spectrum 1 weight 0.11000E+01 volume 0.80783E-02 ppm1 2.200 ppm2 2.444 CV 1
OR { 868}
(( segid " " and resid 45 and name HB1 ))
(( segid " " and resid 45 and name HG2 ))
OR { 868}
(( segid " " and resid 45 and name HB1 ))
(( segid " " and resid 45 and name HG1 ))
OR { 868}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 876}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 29 and name HG2%)
4.500 4.500 1.500 peak 876 spectrum 1 weight 0.11000E+01 volume 0.91893E-03 ppm1 4.081 ppm2 0.772 CV 1
ASSI { 882}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HG2 ))
3.300 1.300 1.300 peak 882 spectrum 1 weight 0.11000E+01 volume 0.18111E-02 ppm1 1.889 ppm2 2.471 CV 1
ASSI { 887}
(( segid " " and resid 87 and name HB1 ))
(( segid " " and resid 87 and name HB2 ))
2.000 0.500 0.500 peak 887 spectrum 1 weight 0.11000E+01 volume 0.65178E-02 ppm1 2.128 ppm2 1.883 CV 1
ASSI { 892}
(( segid " " and resid 87 and name HG1 ))
(( segid " " and resid 87 and name HG2 ))
1.800 0.400 0.400 peak 892 spectrum 1 weight 0.11000E+01 volume 0.87257E-02 ppm1 2.680 ppm2 2.471 CV 1
ASSI { 895}
(( segid " " and resid 87 and name HG1 ))
( segid " " and resid 29 and name HG2%)
3.800 3.800 2.200 peak 895 spectrum 1 weight 0.11000E+01 volume 0.19594E-02 ppm1 2.680 ppm2 0.760 CV 1
ASSI { 896}
(( segid " " and resid 87 and name HG2 ))
( segid " " and resid 29 and name HG2%)
3.500 3.500 2.500 peak 896 spectrum 1 weight 0.11000E+01 volume 0.14024E-02 ppm1 2.488 ppm2 0.759 CV 1
ASSI { 898}
(( segid " " and resid 87 and name HG2 ))
( segid " " and resid 87 and name HE% )
3.100 1.200 1.200 peak 898 spectrum 1 weight 0.11000E+01 volume 0.10100E-02 ppm1 2.486 ppm2 1.521 CV 1
ASSI { 900}
(( segid " " and resid 87 and name HG2 ))
(( segid " " and resid 87 and name HB1 ))
2.500 0.800 0.800 peak 900 spectrum 1 weight 0.11000E+01 volume 0.27466E-02 ppm1 2.483 ppm2 2.124 CV 1
ASSI { 901}
(( segid " " and resid 87 and name HG1 ))
(( segid " " and resid 87 and name HB2 ))
2.900 1.000 1.000 peak 901 spectrum 1 weight 0.11000E+01 volume 0.16937E-02 ppm1 2.678 ppm2 1.884 CV 1
ASSI { 903}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 81 and name HA ))
3.400 1.500 1.500 peak 903 spectrum 1 weight 0.11000E+01 volume 0.17347E-02 ppm1 2.059 ppm2 4.001 CV 1
ASSI { 904}
(( segid " " and resid 81 and name HG1 ))
(( segid " " and resid 81 and name HA ))
2.900 1.000 1.000 peak 904 spectrum 1 weight 0.11000E+01 volume 0.32253E-02 ppm1 2.238 ppm2 3.990 CV 1
ASSI { 906}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HA ))
2.700 2.700 3.300 peak 906 spectrum 1 weight 0.11000E+01 volume 0.37635E-02 ppm1 2.029 ppm2 4.012 CV 1
OR { 906}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HA ))
ASSI { 907}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB1 ))
2.400 0.700 0.700 peak 907 spectrum 1 weight 0.11000E+01 volume 0.54720E-02 ppm1 4.393 ppm2 2.902 CV 1
ASSI { 911}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HB2 ))
2.100 0.500 0.500 peak 911 spectrum 1 weight 0.11000E+01 volume 0.62344E-02 ppm1 3.122 ppm2 2.849 CV 1
ASSI { 914}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HB2 ))
1.800 0.400 0.400 peak 914 spectrum 1 weight 0.11000E+01 volume 0.14934E-01 ppm1 2.922 ppm2 2.797 CV 1
ASSI { 917}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
2.700 0.900 0.900 peak 917 spectrum 1 weight 0.11000E+01 volume 0.56082E-02 ppm1 2.808 ppm2 4.375 CV 1
ASSI { 918}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HB2 ))
2.800 1.000 1.000 peak 918 spectrum 1 weight 0.11000E+01 volume 0.29726E-02 ppm1 4.552 ppm2 2.183 CV 1
ASSI { 919}
(( segid " " and resid 84 and name HB1 ))
(( segid " " and resid 81 and name HA ))
2.800 1.000 1.000 peak 919 spectrum 1 weight 0.11000E+01 volume 0.20171E-02 ppm1 2.911 ppm2 3.994 CV 1
ASSI { 922}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HD1 ))
4.700 2.800 1.300 peak 922 spectrum 1 weight 0.11000E+01 volume 0.46664E-03 ppm1 3.683 ppm2 3.187 CV 1
ASSI { 923}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HD2 ))
4.600 2.700 1.400 peak 923 spectrum 1 weight 0.11000E+01 volume 0.51088E-03 ppm1 3.686 ppm2 3.101 CV 1
ASSI { 931}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 35 and name HB2 ))
2.600 2.600 3.400 peak 931 spectrum 1 weight 0.11000E+01 volume 0.11198E-02 ppm1 1.532 ppm2 3.789 CV 1
ASSI { 933}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HG2 ))
3.500 1.500 1.500 peak 933 spectrum 1 weight 0.11000E+01 volume 0.12133E-02 ppm1 1.595 ppm2 1.359 CV 1
ASSI { 934}
(( segid " " and resid 76 and name HB1 ))
(( segid " " and resid 76 and name HD2 ))
3.400 1.500 1.500 peak 934 spectrum 1 weight 0.11000E+01 volume 0.11000E-02 ppm1 1.930 ppm2 3.103 CV 1
ASSI { 935}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HD2 ))
3.200 1.200 1.200 peak 935 spectrum 1 weight 0.11000E+01 volume 0.11981E-02 ppm1 1.596 ppm2 3.101 CV 1
ASSI { 937}
(( segid " " and resid 76 and name HB1 ))
(( segid " " and resid 76 and name HD1 ))
2.700 0.900 0.900 peak 937 spectrum 1 weight 0.11000E+01 volume 0.23245E-02 ppm1 1.922 ppm2 3.176 CV 1
ASSI { 938}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HG1 ))
3.000 1.100 1.100 peak 938 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 1.600 ppm2 1.547 CV 1
ASSI { 941}
(( segid " " and resid 76 and name HG1 ))
(( segid " " and resid 76 and name HA ))
2.800 1.000 1.000 peak 941 spectrum 1 weight 0.11000E+01 volume 0.17535E-02 ppm1 1.542 ppm2 3.670 CV 1
ASSI { 942}
(( segid " " and resid 76 and name HG2 ))
(( segid " " and resid 76 and name HA ))
3.000 1.200 1.200 peak 942 spectrum 1 weight 0.11000E+01 volume 0.22189E-02 ppm1 1.386 ppm2 3.659 CV 1
ASSI { 944}
(( segid " " and resid 76 and name HD1 ))
(( segid " " and resid 76 and name HB2 ))
2.700 0.900 0.900 peak 944 spectrum 1 weight 0.11000E+01 volume 0.41283E-02 ppm1 3.156 ppm2 1.587 CV 1
ASSI { 945}
(( segid " " and resid 76 and name HD1 ))
(( segid " " and resid 76 and name HG2 ))
2.800 1.000 1.000 peak 945 spectrum 1 weight 0.11000E+01 volume 0.21638E-02 ppm1 3.162 ppm2 1.375 CV 1
ASSI { 946}
(( segid " " and resid 76 and name HD1 ))
(( segid " " and resid 76 and name HG1 ))
3.100 3.100 2.900 peak 946 spectrum 1 weight 0.11000E+01 volume 0.19891E-02 ppm1 3.162 ppm2 1.522 CV 1
ASSI { 947}
(( segid " " and resid 76 and name HD1 ))
( segid " " and resid 71 and name HD2%)
4.900 4.900 1.100 peak 947 spectrum 1 weight 0.11000E+01 volume 0.41984E-03 ppm1 3.160 ppm2 0.421 CV 1
ASSI { 949}
(( segid " " and resid 76 and name HD1 ))
(( segid " " and resid 76 and name HA ))
4.400 2.400 1.600 peak 949 spectrum 1 weight 0.11000E+01 volume 0.73115E-03 ppm1 3.158 ppm2 3.669 CV 1
OR { 949}
(( segid " " and resid 76 and name HD2 ))
(( segid " " and resid 76 and name HA ))
ASSI { 952}
(( segid " " and resid 76 and name HG1 ))
(( segid " " and resid 76 and name HD2 ))
2.800 1.000 1.000 peak 952 spectrum 1 weight 0.11000E+01 volume 0.16962E-02 ppm1 1.543 ppm2 3.092 CV 1
ASSI { 954}
(( segid " " and resid 76 and name HG2 ))
(( segid " " and resid 76 and name HD2 ))
3.200 1.300 1.300 peak 954 spectrum 1 weight 0.11000E+01 volume 0.15960E-02 ppm1 1.386 ppm2 3.092 CV 1
ASSI { 955}
(( segid " " and resid 76 and name HG1 ))
(( segid " " and resid 76 and name HG2 ))
2.000 0.500 0.500 peak 955 spectrum 1 weight 0.11000E+01 volume 0.53993E-02 ppm1 1.542 ppm2 1.382 CV 1
ASSI { 962}
(( segid " " and resid 76 and name HG2 ))
( segid " " and resid 71 and name HD1%)
4.300 2.300 1.700 peak 962 spectrum 1 weight 0.11000E+01 volume 0.10962E-02 ppm1 1.387 ppm2 0.023 CV 1
ASSI { 966}
(( segid " " and resid 76 and name HG1 ))
( segid " " and resid 28 and name HD2%)
3.100 3.100 2.900 peak 966 spectrum 1 weight 0.11000E+01 volume 0.39627E-03 ppm1 1.548 ppm2 0.976 CV 1
ASSI { 968}
(( segid " " and resid 76 and name HG2 ))
( segid " " and resid 28 and name HD2%)
2.900 2.900 3.100 peak 968 spectrum 1 weight 0.11000E+01 volume 0.58789E-03 ppm1 1.387 ppm2 0.975 CV 1
ASSI { 974}
(( segid " " and resid 76 and name HB1 ))
( segid " " and resid 71 and name HD1%)
4.900 2.900 1.100 peak 974 spectrum 1 weight 0.11000E+01 volume 0.61303E-03 ppm1 1.926 ppm2 0.031 CV 1
ASSI { 975}
(( segid " " and resid 76 and name HB2 ))
( segid " " and resid 71 and name HD1%)
3.100 1.200 1.200 peak 975 spectrum 1 weight 0.11000E+01 volume 0.10138E-02 ppm1 1.597 ppm2 0.036 CV 1
ASSI { 976}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 76 and name HG2 ))
3.800 1.800 1.800 peak 976 spectrum 1 weight 0.11000E+01 volume 0.23446E-02 ppm1 0.424 ppm2 1.370 CV 1
ASSI { 977}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 76 and name HG1 ))
3.500 1.600 1.600 peak 977 spectrum 1 weight 0.11000E+01 volume 0.13432E-02 ppm1 0.422 ppm2 1.546 CV 1
ASSI { 980}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 76 and name HG1 ))
3.000 1.100 1.100 peak 980 spectrum 1 weight 0.11000E+01 volume 0.17446E-02 ppm1 0.044 ppm2 1.559 CV 1
ASSI { 984}
(( segid " " and resid 34 and name HG1 ))
(( segid " " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 984 spectrum 1 weight 0.11000E+01 volume 0.27698E-02 ppm1 2.496 ppm2 1.913 CV 1
ASSI { 985}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HB2 ))
2.700 0.900 0.900 peak 985 spectrum 1 weight 0.11000E+01 volume 0.28777E-02 ppm1 2.244 ppm2 1.916 CV 1
ASSI { 986}
(( segid " " and resid 34 and name HG1 ))
( segid " " and resid 43 and name HD1%)
4.400 4.400 1.600 peak 986 spectrum 1 weight 0.11000E+01 volume 0.76359E-03 ppm1 2.498 ppm2 0.745 CV 1
ASSI { 987}
(( segid " " and resid 34 and name HG2 ))
( segid " " and resid 43 and name HD1%)
4.800 4.800 1.200 peak 987 spectrum 1 weight 0.11000E+01 volume 0.63149E-03 ppm1 2.243 ppm2 0.752 CV 1
ASSI { 990}
(( segid " " and resid 34 and name HG1 ))
(( segid " " and resid 34 and name HB1 ))
2.900 1.000 1.000 peak 990 spectrum 1 weight 0.11000E+01 volume 0.28163E-02 ppm1 2.497 ppm2 2.135 CV 1
ASSI { 999}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
2.800 1.000 1.000 peak 999 spectrum 1 weight 0.11000E+01 volume 0.32982E-02 ppm1 4.367 ppm2 1.901 CV 1
ASSI { 1001}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG2 ))
3.000 1.100 1.100 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.39668E-02 ppm1 4.370 ppm2 2.252 CV 1
ASSI { 1002}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG1 ))
3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.20371E-02 ppm1 4.370 ppm2 2.483 CV 1
ASSI { 1012}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 18 and name HA ))
2.100 0.500 0.500 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.64160E-02 ppm1 1.144 ppm2 4.380 CV 1
ASSI { 1018}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 25 and name HG2%)
3.300 1.400 1.400 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.11083E-02 ppm1 4.142 ppm2 0.668 CV 1
ASSI { 1024}
(( segid " " and resid 35 and name HB1 ))
( segid " " and resid 87 and name HE% )
4.300 4.300 1.700 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.93993E-03 ppm1 4.133 ppm2 1.538 CV 1
ASSI { 1031}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HA ))
2.700 0.900 0.900 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.52721E-02 ppm1 2.418 ppm2 4.171 CV 1
OR { 1031}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HA ))
ASSI { 1032}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HB2 ))
2.300 0.700 0.700 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.11309E-01 ppm1 2.414 ppm2 2.109 CV 1
OR { 1032}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HB1 ))
OR { 1032}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HB1 ))
OR { 1032}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 1035}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB1 ))
2.200 0.600 0.600 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.13254E-01 ppm1 4.194 ppm2 2.104 CV 1
OR { 1035}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 1036}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG2 ))
3.100 1.200 1.200 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.20982E-02 ppm1 4.195 ppm2 2.341 CV 1
OR { 1036}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG1 ))
ASSI { 1037}
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 43 and name HB ))
4.300 2.300 1.700 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.63022E-03 ppm1 3.195 ppm2 2.027 CV 1
ASSI { 1038}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 43 and name HB ))
5.300 3.500 0.700 peak 1038 spectrum 1 weight 0.11000E+01 volume 0.73749E-03 ppm1 3.040 ppm2 2.035 CV 1
ASSI { 1039}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 13 and name HD1%)
3.700 1.700 1.700 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.12503E-02 ppm1 4.299 ppm2 0.955 CV 1
ASSI { 1040}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 13 and name HD2%)
4.100 2.100 1.900 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.90685E-03 ppm1 4.300 ppm2 0.873 CV 1
ASSI { 1041}
(( segid " " and resid 10 and name HB1 ))
( segid " " and resid 13 and name HD2%)
4.200 4.200 1.800 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.72287E-03 ppm1 3.922 ppm2 0.880 CV 1
ASSI { 1043}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 13 and name HB1 ))
4.300 2.300 1.700 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.66651E-03 ppm1 3.916 ppm2 1.867 CV 1
ASSI { 1045}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HA ))
2.400 0.700 0.700 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.86724E-02 ppm1 2.088 ppm2 4.182 CV 1
ASSI { 1047}
(( segid " " and resid 11 and name HG1 ))
(( segid " " and resid 11 and name HB1 ))
2.900 1.100 1.100 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.46083E-02 ppm1 2.347 ppm2 2.080 CV 1
ASSI { 1049}
(( segid " " and resid 11 and name HG1 ))
(( segid " " and resid 11 and name HA ))
3.100 1.200 1.200 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.21158E-02 ppm1 2.350 ppm2 4.189 CV 1
ASSI { 1050}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB1 ))
2.800 1.000 1.000 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.36639E-02 ppm1 4.195 ppm2 2.048 CV 1
OR { 1050}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 1053}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 59 and name HB2 ))
3.100 3.100 2.900 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.39373E-03 ppm1 3.981 ppm2 1.355 CV 1
ASSI { 1056}
( segid " " and resid 25 and name HG2%)
( segid " " and resid 54 and name HD1%)
3.100 3.100 2.900 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.30121E-02 ppm1 0.686 ppm2 0.200 CV 1
ASSI { 1059}
( segid " " and resid 25 and name HG2%)
( segid " " and resid 28 and name HD2%)
3.000 3.000 3.000 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.45631E-02 ppm1 0.685 ppm2 1.005 CV 1
ASSI { 1060}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 25 and name HB ))
2.400 0.700 0.700 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.41805E-02 ppm1 0.685 ppm2 1.857 CV 1
ASSI { 1062}
( segid " " and resid 25 and name HG1%)
( segid " " and resid 54 and name HD1%)
4.600 4.600 1.400 peak 1062 spectrum 1 weight 0.11000E+01 volume 0.64995E-03 ppm1 0.773 ppm2 0.199 CV 1
ASSI { 1063}
( segid " " and resid 25 and name HG1%)
( segid " " and resid 50 and name HD1%)
3.400 3.400 2.600 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.20521E-02 ppm1 0.770 ppm2 0.443 CV 1
ASSI { 1064}
( segid " " and resid 25 and name HG1%)
(( segid " " and resid 28 and name HB2 ))
2.800 2.800 3.200 peak 1064 spectrum 1 weight 0.11000E+01 volume 0.39496E-02 ppm1 0.763 ppm2 1.339 CV 1
ASSI { 1067}
( segid " " and resid 25 and name HG1%)
(( segid " " and resid 25 and name HB ))
2.300 0.600 0.600 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.53911E-02 ppm1 0.766 ppm2 1.858 CV 1
ASSI { 1070}
( segid " " and resid 25 and name HG1%)
(( segid " " and resid 26 and name HD2 ))
3.900 1.900 1.900 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.17392E-02 ppm1 0.771 ppm2 3.322 CV 1
ASSI { 1071}
( segid " " and resid 25 and name HG1%)
(( segid " " and resid 25 and name HA ))
2.600 0.800 0.800 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.45337E-02 ppm1 0.770 ppm2 3.581 CV 1
ASSI { 1072}
( segid " " and resid 25 and name HG1%)
(( segid " " and resid 22 and name HA ))
4.100 2.100 1.900 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.75755E-03 ppm1 0.771 ppm2 3.767 CV 1
ASSI { 1078}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 28 and name HB1 ))
3.500 1.500 1.500 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.16707E-02 ppm1 3.592 ppm2 2.056 CV 1
OR { 1078}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 28 and name HD1%)
ASSI { 1089}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 59 and name HD2%)
3.400 3.400 2.600 peak 1089 spectrum 1 weight 0.11000E+01 volume 0.16898E-02 ppm1 3.654 ppm2 0.796 CV 1
ASSI { 1091}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 59 and name HB1 ))
3.100 1.200 1.200 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.15527E-02 ppm1 3.649 ppm2 1.625 CV 1
ASSI { 1093}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 26 and name HD2 ))
3.500 1.500 1.500 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.19372E-02 ppm1 1.854 ppm2 3.312 CV 1
ASSI { 1099}
(( segid " " and resid 57 and name HD1 ))
( segid " " and resid 54 and name HD2%)
2.400 2.400 3.600 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.18308E-02 ppm1 1.353 ppm2 -0.011 CV 1
ASSI { 1104}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HB1 ))
3.700 1.700 1.700 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.97208E-03 ppm1 0.881 ppm2 1.018 CV 1
ASSI { 1109}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HG1 ))
2.400 0.700 0.700 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.23334E-02 ppm1 0.878 ppm2 1.672 CV 1
ASSI { 1112}
(( segid " " and resid 14 and name HG2 ))
( segid " " and resid 55 and name HG2%)
2.900 2.900 3.100 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.20645E-02 ppm1 2.163 ppm2 1.347 CV 1
ASSI { 1117}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 67 and name HD1 ))
4.000 2.000 2.000 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.61687E-03 ppm1 2.799 ppm2 3.063 CV 1
ASSI { 1119}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 67 and name HD2 ))
4.000 2.000 2.000 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.40168E-03 ppm1 2.791 ppm2 2.084 CV 1
ASSI { 1121}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 67 and name HG1 ))
3.900 1.900 1.900 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.53251E-03 ppm1 2.794 ppm2 1.095 CV 1
ASSI { 1122}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 67 and name HG2 ))
3.900 1.900 1.900 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.70441E-03 ppm1 2.528 ppm2 0.180 CV 1
ASSI { 1123}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 67 and name HG2 ))
3.400 1.500 1.500 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.53538E-03 ppm1 2.795 ppm2 0.177 CV 1
ASSI { 1124}
(( segid " " and resid 26 and name HD1 ))
( segid " " and resid 25 and name HG2%)
4.800 2.900 1.200 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.49812E-03 ppm1 3.570 ppm2 0.667 CV 1
ASSI { 1125}
(( segid " " and resid 26 and name HD1 ))
( segid " " and resid 25 and name HG1%)
3.400 1.400 1.400 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.77221E-03 ppm1 3.573 ppm2 0.756 CV 1
ASSI { 1127}
(( segid " " and resid 26 and name HD1 ))
( segid " " and resid 47 and name HB% )
4.200 2.300 1.800 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.41506E-03 ppm1 3.569 ppm2 1.326 CV 1
ASSI { 1134}
(( segid " " and resid 26 and name HD2 ))
( segid " " and resid 51 and name HG2%)
2.900 2.900 3.100 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.60095E-03 ppm1 3.340 ppm2 0.894 CV 1
ASSI { 1135}
(( segid " " and resid 26 and name HD2 ))
( segid " " and resid 47 and name HB% )
4.800 4.800 1.200 peak 1135 spectrum 1 weight 0.11000E+01 volume 0.53952E-03 ppm1 3.345 ppm2 1.325 CV 1
ASSI { 1140}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.14225E-02 ppm1 4.388 ppm2 2.856 CV 1
ASSI { 1147}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG1 ))
2.900 1.000 1.000 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.30662E-02 ppm1 4.289 ppm2 1.813 CV 1
ASSI { 1148}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG2 ))
3.400 1.500 1.500 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.10364E-02 ppm1 4.397 ppm2 1.344 CV 1
ASSI { 1149}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG1 ))
4.100 2.100 1.900 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.42875E-03 ppm1 4.398 ppm2 1.447 CV 1
ASSI { 1155}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 51 and name HB ))
5.300 3.600 0.700 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.51088E-03 ppm1 4.397 ppm2 2.151 CV 1
ASSI { 1156}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB1 ))
2.600 0.800 0.800 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.58383E-02 ppm1 4.366 ppm2 2.825 CV 1
ASSI { 1167}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB1 ))
2.900 1.000 1.000 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.33870E-02 ppm1 4.288 ppm2 1.980 CV 1
ASSI { 1169}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB2 ))
2.600 0.900 0.900 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.58759E-02 ppm1 4.399 ppm2 1.805 CV 1
ASSI { 1176}
(( segid " " and resid 86 and name HB2 ))
( segid " " and resid 50 and name HD1%)
3.100 3.100 2.900 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.39056E-03 ppm1 2.269 ppm2 0.445 CV 1
ASSI { 1179}
(( segid " " and resid 53 and name HB ))
(( segid " " and resid 50 and name HA ))
3.300 3.300 2.700 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.14276E-02 ppm1 1.659 ppm2 3.252 CV 1
ASSI { 1181}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 47 and name HA ))
3.700 1.700 1.700 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.12436E-02 ppm1 1.591 ppm2 3.616 CV 1
ASSI { 1182}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 25 and name HG1%)
4.000 2.000 2.000 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.16462E-02 ppm1 1.594 ppm2 0.758 CV 1
ASSI { 1186}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 68 and name HG2 ))
2.600 0.900 0.900 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.17535E-02 ppm1 1.764 ppm2 1.583 CV 1
ASSI { 1200}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 67 and name HD2 ))
2.100 0.500 0.500 peak 1200 spectrum 1 weight 0.11000E+01 volume 0.48443E-02 ppm1 3.074 ppm2 2.083 CV 1
ASSI { 1204}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 16 and name HB2 ))
4.200 2.300 1.800 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.44751E-03 ppm1 2.091 ppm2 2.519 CV 1
ASSI { 1205}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 16 and name HB2 ))
3.900 1.900 1.900 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.51118E-03 ppm1 3.074 ppm2 2.519 CV 1
ASSI { 1210}
(( segid " " and resid 67 and name HD1 ))
( segid " " and resid 13 and name HD1%)
3.900 3.900 2.100 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.43640E-03 ppm1 3.075 ppm2 0.949 CV 1
ASSI { 1211}
(( segid " " and resid 67 and name HD1 ))
( segid " " and resid 13 and name HD2%)
3.700 1.700 1.700 peak 1211 spectrum 1 weight 0.11000E+01 volume 0.47395E-03 ppm1 3.067 ppm2 0.881 CV 1
ASSI { 1212}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 67 and name HB1 ))
4.200 2.200 1.800 peak 1212 spectrum 1 weight 0.11000E+01 volume 0.52072E-03 ppm1 3.078 ppm2 0.622 CV 1
ASSI { 1213}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 67 and name HG2 ))
3.500 1.500 1.500 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.11214E-02 ppm1 3.073 ppm2 0.180 CV 1
ASSI { 1214}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 67 and name HB2 ))
4.800 2.900 1.200 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.38769E-03 ppm1 3.079 ppm2 -0.027 CV 1
ASSI { 1216}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 67 and name HG2 ))
2.900 1.000 1.000 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.12926E-02 ppm1 2.096 ppm2 0.180 CV 1
ASSI { 1217}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 67 and name HB1 ))
4.700 2.700 1.300 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.43065E-03 ppm1 2.098 ppm2 0.626 CV 1
ASSI { 1228}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB1 ))
2.800 2.800 3.200 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.25916E-02 ppm1 3.727 ppm2 1.044 CV 1
ASSI { 1229}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HG2 ))
3.500 1.500 1.500 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.11822E-02 ppm1 3.726 ppm2 0.859 CV 1
ASSI { 1238}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HB2 ))
2.300 0.700 0.700 peak 1238 spectrum 1 weight 0.11000E+01 volume 0.21202E-02 ppm1 3.188 ppm2 2.918 CV 1
ASSI { 1240}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 67 and name HB1 ))
4.300 2.300 1.700 peak 1240 spectrum 1 weight 0.11000E+01 volume 0.34631E-03 ppm1 2.925 ppm2 0.629 CV 1
ASSI { 1243}
(( segid " " and resid 82 and name HB2 ))
( segid " " and resid 54 and name HD2%)
2.900 2.900 3.100 peak 1243 spectrum 1 weight 0.11000E+01 volume 0.58249E-03 ppm1 3.212 ppm2 -0.011 CV 1
ASSI { 1244}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 67 and name HG2 ))
5.000 3.100 1.000 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.21644E-03 ppm1 3.140 ppm2 0.193 CV 1
ASSI { 1250}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB2 ))
2.400 0.700 0.700 peak 1250 spectrum 1 weight 0.11000E+01 volume 0.39205E-02 ppm1 3.795 ppm2 1.917 CV 1
ASSI { 1253}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HD% )
3.200 1.300 1.300 peak 1253 spectrum 1 weight 0.11000E+01 volume 0.62579E-03 ppm1 4.135 ppm2 7.513 CV 1
ASSI { 1260}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 51 and name HG1%)
2.900 2.900 3.100 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.11675E-02 ppm1 2.937 ppm2 1.131 CV 1
ASSI { 1262}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 25 and name HG2%)
4.700 2.700 1.300 peak 1262 spectrum 1 weight 0.11000E+01 volume 0.74420E-03 ppm1 2.937 ppm2 0.679 CV 1
ASSI { 1269}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HB ))
3.100 1.200 1.200 peak 1269 spectrum 1 weight 0.11000E+01 volume 0.11000E-02 ppm1 3.775 ppm2 1.851 CV 1
ASSI { 1272}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 25 and name HG2%)
4.300 2.300 1.700 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.63563E-03 ppm1 3.772 ppm2 0.670 CV 1
ASSI { 1275}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 67 and name HG2 ))
4.500 2.500 1.500 peak 1275 spectrum 1 weight 0.11000E+01 volume 0.90080E-03 ppm1 1.186 ppm2 0.183 CV 1
ASSI { 1287}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 16 and name HB1 ))
4.300 4.300 1.700 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.64167E-03 ppm1 1.181 ppm2 2.781 CV 1
ASSI { 1289}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 16 and name HB2 ))
4.700 4.700 1.300 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.42622E-03 ppm1 1.184 ppm2 2.505 CV 1
ASSI { 1291}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 87 and name HB2 ))
3.200 3.200 2.800 peak 1291 spectrum 1 weight 0.11000E+01 volume 0.37247E-02 ppm1 1.542 ppm2 1.876 CV 1
ASSI { 1292}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 87 and name HB1 ))
3.200 3.200 2.800 peak 1292 spectrum 1 weight 0.11000E+01 volume 0.30967E-02 ppm1 1.542 ppm2 2.123 CV 1
ASSI { 1293}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 34 and name HG2 ))
3.900 1.900 1.900 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.85210E-03 ppm1 1.548 ppm2 2.243 CV 1
ASSI { 1295}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 87 and name HG1 ))
2.900 1.100 1.100 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.21476E-02 ppm1 1.544 ppm2 2.675 CV 1
ASSI { 1297}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 29 and name HA ))
3.900 1.900 1.900 peak 1297 spectrum 1 weight 0.11000E+01 volume 0.89092E-03 ppm1 1.542 ppm2 3.532 CV 1
ASSI { 1298}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 35 and name HA ))
2.300 2.300 3.700 peak 1298 spectrum 1 weight 0.11000E+01 volume 0.26750E-02 ppm1 1.532 ppm2 3.712 CV 1
ASSI { 1299}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 87 and name HA ))
2.300 2.300 3.700 peak 1299 spectrum 1 weight 0.11000E+01 volume 0.22443E-02 ppm1 1.539 ppm2 4.104 CV 1
ASSI { 1303}
( segid " " and resid 87 and name HE% )
( segid " " and resid 29 and name HD1%)
3.500 1.500 1.500 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.95268E-03 ppm1 1.545 ppm2 0.671 CV 1
ASSI { 1304}
( segid " " and resid 87 and name HE% )
( segid " " and resid 50 and name HD1%)
3.100 3.100 2.900 peak 1304 spectrum 1 weight 0.11000E+01 volume 0.40298E-03 ppm1 1.549 ppm2 0.440 CV 1
ASSI { 1305}
( segid " " and resid 87 and name HE% )
( segid " " and resid 29 and name HG2%)
2.700 2.700 3.300 peak 1305 spectrum 1 weight 0.11000E+01 volume 0.43312E-02 ppm1 1.542 ppm2 0.754 CV 1
ASSI { 1312}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 56 and name HB ))
2.900 1.000 1.000 peak 1312 spectrum 1 weight 0.11000E+01 volume 0.20473E-02 ppm1 3.516 ppm2 4.217 CV 1
ASSI { 1323}
( segid " " and resid 29 and name HD1%)
( segid " " and resid 50 and name HD1%)
2.700 2.700 3.300 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.46698E-02 ppm1 0.683 ppm2 0.449 CV 1
ASSI { 1325}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 47 and name HB% )
3.700 3.700 2.300 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.69739E-03 ppm1 1.872 ppm2 1.327 CV 1
ASSI { 1328}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 26 and name HA ))
2.900 1.100 1.100 peak 1328 spectrum 1 weight 0.11000E+01 volume 0.20005E-02 ppm1 1.874 ppm2 3.962 CV 1
ASSI { 1338}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 67 and name HG2 ))
3.500 1.500 1.500 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.12324E-02 ppm1 0.639 ppm2 0.182 CV 1
ASSI { 1339}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 67 and name HB2 ))
2.100 0.500 0.500 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.42808E-02 ppm1 0.636 ppm2 -0.027 CV 1
ASSI { 1342}
(( segid " " and resid 29 and name HG11))
( segid " " and resid 29 and name HG2%)
3.200 1.300 1.300 peak 1342 spectrum 1 weight 0.11000E+01 volume 0.33673E-02 ppm1 1.762 ppm2 0.756 CV 1
ASSI { 1343}
(( segid " " and resid 29 and name HG12))
( segid " " and resid 50 and name HD1%)
4.400 2.400 1.600 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.50991E-03 ppm1 0.876 ppm2 0.448 CV 1
ASSI { 1344}
(( segid " " and resid 26 and name HG1 ))
( segid " " and resid 47 and name HB% )
3.700 3.700 2.300 peak 1344 spectrum 1 weight 0.11000E+01 volume 0.78429E-03 ppm1 2.255 ppm2 1.328 CV 1
ASSI { 1345}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HD2 ))
3.500 1.500 1.500 peak 1345 spectrum 1 weight 0.11000E+01 volume 0.12732E-02 ppm1 2.254 ppm2 3.322 CV 1
ASSI { 1346}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HD1 ))
2.700 0.900 0.900 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.15122E-02 ppm1 2.257 ppm2 3.562 CV 1
ASSI { 1348}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HD2 ))
3.100 1.200 1.200 peak 1348 spectrum 1 weight 0.11000E+01 volume 0.78843E-03 ppm1 1.750 ppm2 3.324 CV 1
ASSI { 1351}
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 58 and name HG1 ))
3.100 1.200 1.200 peak 1351 spectrum 1 weight 0.11000E+01 volume 0.13346E-02 ppm1 1.028 ppm2 1.670 CV 1
ASSI { 1354}
( segid " " and resid 28 and name HD2%)
(( segid " " and resid 80 and name HA ))
3.300 3.300 2.700 peak 1354 spectrum 1 weight 0.11000E+01 volume 0.12993E-02 ppm1 0.981 ppm2 3.784 CV 1
ASSI { 1358}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.900 1.100 1.100 peak 1358 spectrum 1 weight 0.11000E+01 volume 0.93008E-03 ppm1 3.934 ppm2 3.398 CV 1
ASSI { 1360}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB1 ))
2.500 0.800 0.800 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.41566E-02 ppm1 3.934 ppm2 2.130 CV 1
OR { 1360}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG2 ))
ASSI { 1364}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 38 and name HD% )
3.600 3.600 2.400 peak 1364 spectrum 1 weight 0.11000E+01 volume 0.30366E-03 ppm1 4.782 ppm2 7.103 CV 1
ASSI { 1368}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 82 and name HD% )
5.000 5.000 1.000 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.56626E-03 ppm1 3.264 ppm2 7.104 CV 1
ASSI { 1369}
(( segid " " and resid 50 and name HG11))
( segid " " and resid 86 and name HD% )
5.800 5.800 0.200 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.59520E-04 ppm1 1.233 ppm2 6.756 CV 1
ASSI { 1372}
(( segid " " and resid 50 and name HG11))
( segid " " and resid 82 and name HD% )
4.400 4.400 1.600 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.27819E-03 ppm1 1.235 ppm2 7.092 CV 1
ASSI { 1376}
(( segid " " and resid 50 and name HG12))
( segid " " and resid 86 and name HE% )
5.600 5.600 0.400 peak 1376 spectrum 1 weight 0.11000E+01 volume 0.20944E-03 ppm1 0.008 ppm2 6.746 CV 1
ASSI { 1377}
(( segid " " and resid 50 and name HG12))
( segid " " and resid 82 and name HD% )
5.600 5.600 0.400 peak 1377 spectrum 1 weight 0.11000E+01 volume 0.25369E-03 ppm1 0.001 ppm2 7.109 CV 1
ASSI { 1378}
( segid " " and resid 50 and name HG2%)
( segid " " and resid 82 and name HD% )
4.500 4.500 1.500 peak 1378 spectrum 1 weight 0.11000E+01 volume 0.10937E-02 ppm1 0.668 ppm2 7.098 CV 1
ASSI { 1380}
( segid " " and resid 50 and name HD1%)
( segid " " and resid 86 and name HD% )
4.100 4.100 1.900 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.59106E-03 ppm1 0.459 ppm2 6.760 CV 1
ASSI { 1381}
( segid " " and resid 50 and name HD1%)
( segid " " and resid 82 and name HD% )
4.000 4.000 2.000 peak 1381 spectrum 1 weight 0.11000E+01 volume 0.41570E-03 ppm1 0.457 ppm2 7.109 CV 1
ASSI { 1393}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 17 and name HD1 ))
5.100 5.100 0.900 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.28329E-03 ppm1 1.376 ppm2 7.165 CV 1
ASSI { 1402}
( segid " " and resid 51 and name HG1%)
( segid " " and resid 21 and name HD% )
3.900 1.900 1.900 peak 1402 spectrum 1 weight 0.11000E+01 volume 0.41823E-03 ppm1 1.147 ppm2 7.501 CV 1
ASSI { 1420}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 24 and name HD% )
5.700 5.700 0.300 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.12700E-03 ppm1 4.565 ppm2 7.024 CV 1
ASSI { 1421}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB1 ))
2.200 0.600 0.600 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.90032E-02 ppm1 4.763 ppm2 2.439 CV 1
ASSI { 1426}
(( segid " " and resid 70 and name HB1 ))
( segid " " and resid 72 and name HG2%)
4.000 4.000 2.000 peak 1426 spectrum 1 weight 0.11000E+01 volume 0.75244E-03 ppm1 2.439 ppm2 1.307 CV 1
ASSI { 1429}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 18 and name HA ))
3.500 3.500 2.500 peak 1429 spectrum 1 weight 0.11000E+01 volume 0.48891E-03 ppm1 2.924 ppm2 4.390 CV 1
ASSI { 1435}
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 17 and name HZ2 ))
4.300 2.300 1.700 peak 1435 spectrum 1 weight 0.11000E+01 volume 0.20021E-03 ppm1 2.004 ppm2 6.973 CV 1
ASSI { 1436}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 17 and name HZ2 ))
5.900 4.300 0.100 peak 1436 spectrum 1 weight 0.11000E+01 volume 0.11618E-03 ppm1 1.752 ppm2 6.966 CV 1
ASSI { 1440}
(( segid " " and resid 68 and name HD1 ))
(( segid " " and resid 67 and name HB1 ))
4.900 3.100 1.100 peak 1440 spectrum 1 weight 0.11000E+01 volume 0.51375E-03 ppm1 3.125 ppm2 0.624 CV 1
ASSI { 1441}
(( segid " " and resid 68 and name HD1 ))
(( segid " " and resid 67 and name HB2 ))
4.800 2.900 1.200 peak 1441 spectrum 1 weight 0.11000E+01 volume 0.58375E-03 ppm1 3.129 ppm2 -0.026 CV 1
ASSI { 1443}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 68 and name HD1 ))
3.500 1.500 1.500 peak 1443 spectrum 1 weight 0.11000E+01 volume 0.14244E-02 ppm1 1.600 ppm2 3.124 CV 1
ASSI { 1444}
(( segid " " and resid 68 and name HG1 ))
(( segid " " and resid 68 and name HA ))
3.700 1.700 1.700 peak 1444 spectrum 1 weight 0.11000E+01 volume 0.19540E-02 ppm1 1.834 ppm2 4.270 CV 1
ASSI { 1445}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 68 and name HA ))
4.300 2.300 1.700 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.67002E-03 ppm1 1.603 ppm2 4.270 CV 1
ASSI { 1450}
(( segid " " and resid 46 and name HB1 ))
( segid " " and resid 86 and name HE% )
5.800 5.800 0.200 peak 1450 spectrum 1 weight 0.11000E+01 volume 0.15342E-03 ppm1 3.064 ppm2 6.727 CV 1
ASSI { 1451}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 86 and name HE% )
5.100 5.100 0.900 peak 1451 spectrum 1 weight 0.11000E+01 volume 0.16233E-03 ppm1 2.720 ppm2 6.729 CV 1
ASSI { 1470}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
2.200 0.600 0.600 peak 1470 spectrum 1 weight 0.11000E+01 volume 0.12587E-01 ppm1 4.098 ppm2 1.864 CV 1
ASSI { 1473}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 87 and name HA ))
3.000 1.100 1.100 peak 1473 spectrum 1 weight 0.11000E+01 volume 0.20804E-02 ppm1 1.981 ppm2 4.071 CV 1
ASSI { 1478}
( segid " " and resid 90 and name HD1%)
(( segid " " and resid 90 and name HG11))
2.300 0.700 0.700 peak 1478 spectrum 1 weight 0.11000E+01 volume 0.68938E-02 ppm1 0.715 ppm2 1.393 CV 1
ASSI { 1479}
( segid " " and resid 90 and name HD1%)
(( segid " " and resid 90 and name HB ))
3.200 1.300 1.300 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.42730E-02 ppm1 0.715 ppm2 1.990 CV 1
ASSI { 1480}
( segid " " and resid 91 and name HD1%)
( segid " " and resid 91 and name HG2%)
2.900 2.900 3.100 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.34962E-02 ppm1 0.740 ppm2 0.864 CV 1
ASSI { 1484}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HB2 ))
2.000 0.500 0.500 peak 1484 spectrum 1 weight 0.11000E+01 volume 0.67871E-02 ppm1 3.131 ppm2 2.750 CV 1
ASSI { 1492}
( segid " " and resid 53 and name HG2%)
( segid " " and resid 86 and name HE% )
3.800 3.800 2.200 peak 1492 spectrum 1 weight 0.11000E+01 volume 0.73465E-03 ppm1 0.940 ppm2 6.730 CV 1
OR { 1492}
( segid " " and resid 53 and name HG2%)
( segid " " and resid 86 and name HD% )
ASSI { 1497}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 86 and name HE% )
4.200 2.200 1.800 peak 1497 spectrum 1 weight 0.11000E+01 volume 0.22758E-03 ppm1 4.296 ppm2 6.728 CV 1
ASSI { 1501}
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 42 and name HB2 ))
3.900 1.900 1.900 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.50610E-03 ppm1 3.192 ppm2 2.582 CV 1
ASSI { 1502}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 42 and name HB2 ))
4.500 2.500 1.500 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.74450E-03 ppm1 3.043 ppm2 2.582 CV 1
ASSI { 1503}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 14 and name HG2 ))
2.900 1.100 1.100 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.21972E-02 ppm1 0.803 ppm2 2.162 CV 1
ASSI { 1510}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HB1 ))
2.600 0.800 0.800 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.78385E-02 ppm1 1.722 ppm2 1.872 CV 1
ASSI { 1512}
(( segid " " and resid 43 and name HG12))
(( segid " " and resid 38 and name HB1 ))
3.600 1.600 1.600 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.12309E-02 ppm1 1.195 ppm2 3.180 CV 1
ASSI { 1514}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 14 and name HG1 ))
2.900 1.100 1.100 peak 1514 spectrum 1 weight 0.11000E+01 volume 0.24869E-02 ppm1 0.815 ppm2 2.282 CV 1
ASSI { 1517}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HA ))
4.000 2.000 2.000 peak 1517 spectrum 1 weight 0.11000E+01 volume 0.12490E-02 ppm1 0.815 ppm2 4.034 CV 1
ASSI { 1518}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HB2 ))
2.200 0.600 0.600 peak 1518 spectrum 1 weight 0.11000E+01 volume 0.12772E-01 ppm1 0.815 ppm2 1.357 CV 1
ASSI { 1520}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB1 ))
2.300 0.700 0.700 peak 1520 spectrum 1 weight 0.11000E+01 volume 0.49070E-02 ppm1 3.715 ppm2 4.123 CV 1
ASSI { 1522}
(( segid " " and resid 71 and name HG ))
(( segid " " and resid 76 and name HA ))
4.400 2.400 1.600 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.42622E-03 ppm1 1.159 ppm2 3.676 CV 1
ASSI { 1526}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 76 and name HB2 ))
3.100 1.200 1.200 peak 1526 spectrum 1 weight 0.11000E+01 volume 0.32588E-02 ppm1 0.421 ppm2 1.608 CV 1
ASSI { 1534}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 20 and name HB2 ))
4.900 3.000 1.100 peak 1534 spectrum 1 weight 0.11000E+01 volume 0.26801E-03 ppm1 1.117 ppm2 2.908 CV 1
ASSI { 1537}
(( segid " " and resid 57 and name HB1 ))
( segid " " and resid 54 and name HD2%)
3.900 1.900 1.900 peak 1537 spectrum 1 weight 0.11000E+01 volume 0.70183E-03 ppm1 1.657 ppm2 -0.011 CV 1
ASSI { 1538}
(( segid " " and resid 57 and name HB1 ))
(( segid " " and resid 54 and name HB1 ))
4.500 4.500 1.500 peak 1538 spectrum 1 weight 0.11000E+01 volume 0.49749E-03 ppm1 1.658 ppm2 0.721 CV 1
ASSI { 1543}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HG1 ))
2.000 0.500 0.500 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.49301E-02 ppm1 0.193 ppm2 1.099 CV 1
ASSI { 1547}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 20 and name HB2 ))
4.100 2.100 1.900 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.37751E-03 ppm1 0.196 ppm2 2.909 CV 1
ASSI { 1551}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HB1 ))
2.700 0.900 0.900 peak 1551 spectrum 1 weight 0.11000E+01 volume 0.15444E-02 ppm1 1.107 ppm2 0.624 CV 1
ASSI { 1554}
(( segid " " and resid 71 and name HG ))
(( segid " " and resid 76 and name HB1 ))
4.800 2.900 1.200 peak 1554 spectrum 1 weight 0.11000E+01 volume 0.88488E-03 ppm1 1.169 ppm2 1.922 CV 1
ASSI { 1555}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HD2 ))
3.500 1.500 1.500 peak 1555 spectrum 1 weight 0.11000E+01 volume 0.13037E-02 ppm1 1.111 ppm2 2.081 CV 1
ASSI { 1556}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 16 and name HB2 ))
3.600 1.600 1.600 peak 1556 spectrum 1 weight 0.11000E+01 volume 0.88902E-03 ppm1 1.105 ppm2 2.518 CV 1
ASSI { 1559}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HD1 ))
2.600 0.900 0.900 peak 1559 spectrum 1 weight 0.11000E+01 volume 0.18099E-02 ppm1 1.108 ppm2 3.065 CV 1
ASSI { 1570}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 43 and name HB ))
2.500 0.800 0.800 peak 1570 spectrum 1 weight 0.11000E+01 volume 0.51110E-02 ppm1 4.266 ppm2 2.025 CV 1
ASSI { 1571}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 84 and name HB2 ))
3.300 1.300 1.300 peak 1571 spectrum 1 weight 0.11000E+01 volume 0.24767E-02 ppm1 4.009 ppm2 2.756 CV 1
ASSI { 1575}
(( segid " " and resid 65 and name HD1 ))
(( segid " " and resid 17 and name HZ2 ))
3.500 1.500 1.500 peak 1575 spectrum 1 weight 0.11000E+01 volume 0.68404E-03 ppm1 3.265 ppm2 6.964 CV 1
ASSI { 1577}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 24 and name HA ))
4.400 4.400 1.600 peak 1577 spectrum 1 weight 0.11000E+01 volume 0.82312E-03 ppm1 2.929 ppm2 5.172 CV 1
ASSI { 1583}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 46 and name HB2 ))
3.600 3.600 2.400 peak 1583 spectrum 1 weight 0.11000E+01 volume 0.18149E-02 ppm1 0.781 ppm2 2.703 CV 1
ASSI { 1586}
( segid " " and resid 99 and name HB% )
(( segid " " and resid 96 and name HA ))
2.900 1.100 1.100 peak 1586 spectrum 1 weight 0.11000E+01 volume 0.27049E-02 ppm1 1.373 ppm2 4.130 CV 1
ASSI { 1592}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 24 and name HD% )
3.400 3.400 2.600 peak 1592 spectrum 1 weight 0.11000E+01 volume 0.23268E-03 ppm1 0.910 ppm2 6.991 CV 1
ASSI { 1602}
( segid " " and resid 28 and name HD2%)
( segid " " and resid 71 and name HD1%)
3.900 1.900 1.900 peak 1602 spectrum 1 weight 0.11000E+01 volume 0.52423E-03 ppm1 0.984 ppm2 0.023 CV 1
ASSI { 1606}
( segid " " and resid 28 and name HD2%)
(( segid " " and resid 79 and name HB ))
3.900 1.900 1.900 peak 1606 spectrum 1 weight 0.11000E+01 volume 0.68180E-03 ppm1 0.973 ppm2 2.357 CV 1
ASSI { 1607}
( segid " " and resid 28 and name HD2%)
(( segid " " and resid 24 and name HB2 ))
3.500 1.500 1.500 peak 1607 spectrum 1 weight 0.11000E+01 volume 0.70534E-03 ppm1 0.987 ppm2 2.907 CV 1
ASSI { 1608}
( segid " " and resid 28 and name HD2%)
(( segid " " and resid 24 and name HB1 ))
4.700 2.800 1.300 peak 1608 spectrum 1 weight 0.11000E+01 volume 0.63724E-03 ppm1 0.985 ppm2 3.070 CV 1
ASSI { 1617}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 76 and name HB2 ))
4.400 2.400 1.600 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.43002E-03 ppm1 4.566 ppm2 1.583 CV 1
ASSI { 1618}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 76 and name HB1 ))
5.600 5.600 0.400 peak 1618 spectrum 1 weight 0.11000E+01 volume 0.27501E-03 ppm1 4.570 ppm2 1.877 CV 1
ASSI { 1620}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HB1 ))
2.900 1.000 1.000 peak 1620 spectrum 1 weight 0.11000E+01 volume 0.26170E-02 ppm1 3.795 ppm2 2.040 CV 1
ASSI { 1626}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.500 1.500 peak 1626 spectrum 1 weight 0.11000E+01 volume 0.72574E-03 ppm1 5.183 ppm2 2.803 CV 1
ASSI { 1635}
(( segid " " and resid 64 and name HB2 ))
( segid " " and resid 59 and name HD1%)
4.400 4.400 1.600 peak 1635 spectrum 1 weight 0.11000E+01 volume 0.53601E-03 ppm1 3.806 ppm2 0.878 CV 1
ASSI { 1636}
(( segid " " and resid 64 and name HB1 ))
( segid " " and resid 59 and name HD1%)
4.600 4.600 1.400 peak 1636 spectrum 1 weight 0.11000E+01 volume 0.37497E-03 ppm1 3.914 ppm2 0.884 CV 1
ASSI { 1637}
(( segid " " and resid 64 and name HB1 ))
( segid " " and resid 13 and name HD1%)
4.500 4.500 1.500 peak 1637 spectrum 1 weight 0.11000E+01 volume 0.43479E-03 ppm1 3.917 ppm2 0.946 CV 1
ASSI { 1655}
(( segid " " and resid 87 and name HG1 ))
( segid " " and resid 50 and name HD1%)
3.100 3.100 2.900 peak 1655 spectrum 1 weight 0.11000E+01 volume 0.39500E-03 ppm1 2.682 ppm2 0.444 CV 1
ASSI { 1656}
(( segid " " and resid 87 and name HG2 ))
( segid " " and resid 50 and name HD1%)
3.200 3.200 2.800 peak 1656 spectrum 1 weight 0.11000E+01 volume 0.34090E-03 ppm1 2.485 ppm2 0.448 CV 1
ASSI { 1663}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 80 and name HA ))
4.600 2.700 1.400 peak 1663 spectrum 1 weight 0.11000E+01 volume 0.28902E-03 ppm1 1.383 ppm2 3.779 CV 1
ASSI { 1665}
( segid " " and resid 28 and name HD2%)
( segid " " and resid 24 and name HD% )
4.100 4.100 1.900 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.35745E-03 ppm1 0.976 ppm2 6.993 CV 1
ASSI { 1666}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 16 and name HB1 ))
4.900 3.000 1.100 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.43576E-03 ppm1 4.251 ppm2 2.782 CV 1
ASSI { 1670}
( segid " " and resid 90 and name HD1%)
( segid " " and resid 86 and name HE% )
3.800 1.800 1.800 peak 1670 spectrum 1 weight 0.11000E+01 volume 0.39597E-03 ppm1 0.692 ppm2 6.745 CV 1
ASSI { 1689}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 21 and name HB1 ))
2.800 1.000 1.000 peak 1689 spectrum 1 weight 0.11000E+01 volume 0.11268E-02 ppm1 0.690 ppm2 3.047 CV 1
ASSI { 1693}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 28 and name HB1 ))
4.400 2.400 1.600 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.85336E-03 ppm1 0.686 ppm2 2.051 CV 1
ASSI { 1694}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 26 and name HD2 ))
4.600 2.700 1.400 peak 1694 spectrum 1 weight 0.11000E+01 volume 0.99214E-03 ppm1 0.686 ppm2 3.322 CV 1
ASSI { 1696}
(( segid " " and resid 46 and name HB1 ))
( segid " " and resid 29 and name HG2%)
3.500 1.500 1.500 peak 1696 spectrum 1 weight 0.11000E+01 volume 0.62131E-03 ppm1 3.057 ppm2 0.774 CV 1
ASSI { 1698}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HA ))
4.100 2.100 1.900 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.72126E-03 ppm1 2.257 ppm2 3.955 CV 1
ASSI { 1700}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 26 and name HD1 ))
3.500 1.600 1.600 peak 1700 spectrum 1 weight 0.11000E+01 volume 0.14950E-02 ppm1 0.909 ppm2 3.578 CV 1
ASSI { 1703}
(( segid " " and resid 26 and name HB2 ))
( segid " " and resid 47 and name HB% )
4.500 4.500 1.500 peak 1703 spectrum 1 weight 0.11000E+01 volume 0.72764E-03 ppm1 1.826 ppm2 1.324 CV 1
ASSI { 1704}
(( segid " " and resid 26 and name HB1 ))
( segid " " and resid 47 and name HB% )
3.700 1.700 1.700 peak 1704 spectrum 1 weight 0.11000E+01 volume 0.68531E-03 ppm1 2.257 ppm2 1.322 CV 1
ASSI { 1706}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 26 and name HA ))
5.800 5.800 0.200 peak 1706 spectrum 1 weight 0.11000E+01 volume 0.15915E-03 ppm1 0.696 ppm2 3.950 CV 1
ASSI { 1707}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB1 ))
3.000 1.100 1.100 peak 1707 spectrum 1 weight 0.11000E+01 volume 0.20142E-02 ppm1 4.392 ppm2 1.910 CV 1
ASSI { 1708}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HD1 ))
3.800 1.800 1.800 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.17958E-02 ppm1 4.388 ppm2 1.635 CV 1
ASSI { 1709}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 87 and name HB1 ))
4.300 2.300 1.700 peak 1709 spectrum 1 weight 0.11000E+01 volume 0.88104E-03 ppm1 4.188 ppm2 2.130 CV 1
ASSI { 1711}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 12 and name HA ))
3.100 1.200 1.200 peak 1711 spectrum 1 weight 0.11000E+01 volume 0.23895E-02 ppm1 3.261 ppm2 4.088 CV 1
ASSI { 1722}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 67 and name HD2 ))
4.000 2.000 2.000 peak 1722 spectrum 1 weight 0.11000E+01 volume 0.11051E-02 ppm1 0.945 ppm2 2.103 CV 1
ASSI { 1723}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 67 and name HD2 ))
3.800 1.800 1.800 peak 1723 spectrum 1 weight 0.11000E+01 volume 0.13881E-02 ppm1 0.883 ppm2 2.103 CV 1
ASSI { 1726}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HD2 ))
4.400 2.400 1.600 peak 1726 spectrum 1 weight 0.11000E+01 volume 0.43767E-03 ppm1 4.278 ppm2 1.740 CV 1
ASSI { 1733}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 12 and name HB2 ))
3.200 3.200 2.800 peak 1733 spectrum 1 weight 0.11000E+01 volume 0.34026E-03 ppm1 3.274 ppm2 1.890 CV 1
ASSI { 1734}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 2 and name HB% )
3.300 1.400 1.400 peak 1734 spectrum 1 weight 0.11000E+01 volume 0.12557E-02 ppm1 4.308 ppm2 1.355 CV 1
ASSI { 1735}
(( segid " " and resid 77 and name HB1 ))
(( segid " " and resid 74 and name HA1 ))
2.400 2.400 3.600 peak 1735 spectrum 1 weight 0.11000E+01 volume 0.20085E-02 ppm1 3.305 ppm2 3.887 CV 1
ASSI { 1738}
(( segid " " and resid 38 and name HB1 ))
( segid " " and resid 43 and name HD1%)
3.500 1.500 1.500 peak 1738 spectrum 1 weight 0.11000E+01 volume 0.16135E-02 ppm1 3.188 ppm2 0.727 CV 1
ASSI { 1744}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 85 and name HA ))
3.000 1.100 1.100 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.27298E-02 ppm1 2.589 ppm2 4.216 CV 1
ASSI { 1745}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 88 and name HA ))
2.600 0.800 0.800 peak 1745 spectrum 1 weight 0.11000E+01 volume 0.46433E-02 ppm1 2.591 ppm2 4.359 CV 1
ASSI { 1746}
(( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 88 and name HA ))
2.900 1.100 1.100 peak 1746 spectrum 1 weight 0.11000E+01 volume 0.43651E-02 ppm1 2.833 ppm2 4.360 CV 1
ASSI { 1748}
(( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 88 and name HB2 ))
1.800 0.400 0.400 peak 1748 spectrum 1 weight 0.11000E+01 volume 0.14879E-01 ppm1 2.839 ppm2 2.573 CV 1
ASSI { 1750}
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 43 and name HG11))
2.100 0.500 0.500 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.11087E-02 ppm1 3.187 ppm2 1.577 CV 1
ASSI { 1751}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 43 and name HG11))
3.500 1.500 1.500 peak 1751 spectrum 1 weight 0.11000E+01 volume 0.12025E-02 ppm1 3.026 ppm2 1.582 CV 1
ASSI { 1756}
(( segid " " and resid 85 and name HB1 ))
(( segid " " and resid 88 and name HB2 ))
5.300 3.500 0.700 peak 1756 spectrum 1 weight 0.11000E+01 volume 0.32658E-03 ppm1 3.855 ppm2 2.564 CV 1
ASSI { 1757}
(( segid " " and resid 85 and name HB1 ))
(( segid " " and resid 88 and name HB1 ))
4.100 2.100 1.900 peak 1757 spectrum 1 weight 0.11000E+01 volume 0.82916E-03 ppm1 3.861 ppm2 2.809 CV 1
ASSI { 1762}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 49 and name HB2 ))
3.200 1.300 1.300 peak 1762 spectrum 1 weight 0.11000E+01 volume 0.13222E-02 ppm1 4.293 ppm2 2.650 CV 1
ASSI { 1767}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 45 and name HG1 ))
4.400 2.400 1.600 peak 1767 spectrum 1 weight 0.11000E+01 volume 0.29379E-03 ppm1 4.298 ppm2 2.437 CV 1
OR { 1767}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 1780}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 67 and name HA ))
4.900 2.900 1.100 peak 1780 spectrum 1 weight 0.11000E+01 volume 0.64455E-03 ppm1 1.597 ppm2 2.786 CV 1
ASSI { 1781}
(( segid " " and resid 68 and name HG1 ))
(( segid " " and resid 67 and name HA ))
4.800 2.900 1.200 peak 1781 spectrum 1 weight 0.11000E+01 volume 0.80275E-03 ppm1 1.843 ppm2 2.784 CV 1
ASSI { 1787}
( segid " " and resid 22 and name HB% )
( segid " " and resid 25 and name HG2%)
5.100 5.100 0.900 peak 1787 spectrum 1 weight 0.11000E+01 volume 0.42144E-03 ppm1 1.485 ppm2 0.677 CV 1
ASSI { 1795}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 71 and name HD1%)
4.100 2.100 1.900 peak 1795 spectrum 1 weight 0.11000E+01 volume 0.48160E-03 ppm1 2.916 ppm2 0.026 CV 1
ASSI { 1797}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 24 and name HB1 ))
3.700 1.700 1.700 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.11261E-02 ppm1 0.030 ppm2 3.094 CV 1
ASSI { 1803}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 28 and name HB2 ))
3.300 1.300 1.300 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.68468E-03 ppm1 3.562 ppm2 1.375 CV 1
ASSI { 1805}
( segid " " and resid 28 and name HD1%)
(( segid " " and resid 25 and name HA ))
3.900 3.900 2.100 peak 1805 spectrum 1 weight 0.11000E+01 volume 0.52807E-03 ppm1 2.036 ppm2 3.571 CV 1
ASSI { 1806}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 25 and name HG2%)
4.700 4.700 1.300 peak 1806 spectrum 1 weight 0.11000E+01 volume 0.25241E-03 ppm1 1.384 ppm2 0.666 CV 1
ASSI { 1812}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 17 and name HB2 ))
3.000 3.000 3.000 peak 1812 spectrum 1 weight 0.11000E+01 volume 0.48414E-03 ppm1 0.816 ppm2 3.398 CV 1
ASSI { 1817}
(( segid " " and resid 28 and name HG ))
( segid " " and resid 28 and name HD1%)
2.700 2.700 3.300 peak 1817 spectrum 1 weight 0.11000E+01 volume 0.35277E-02 ppm1 0.920 ppm2 2.031 CV 1
OR { 1817}
(( segid " " and resid 28 and name HG ))
(( segid " " and resid 28 and name HB1 ))
ASSI { 1819}
(( segid " " and resid 57 and name HD1 ))
(( segid " " and resid 57 and name HE1 ))
2.900 1.000 1.000 peak 1819 spectrum 1 weight 0.11000E+01 volume 0.22953E-02 ppm1 1.346 ppm2 2.653 CV 1
ASSI { 1821}
(( segid " " and resid 57 and name HD1 ))
(( segid " " and resid 54 and name HA ))
3.300 1.300 1.300 peak 1821 spectrum 1 weight 0.11000E+01 volume 0.11707E-02 ppm1 1.345 ppm2 3.321 CV 1
ASSI { 1822}
(( segid " " and resid 57 and name HD1 ))
(( segid " " and resid 57 and name HA ))
4.100 4.100 1.900 peak 1822 spectrum 1 weight 0.11000E+01 volume 0.12850E-02 ppm1 1.343 ppm2 3.722 CV 1
ASSI { 1823}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 87 and name HG2 ))
3.500 1.500 1.500 peak 1823 spectrum 1 weight 0.11000E+01 volume 0.16287E-02 ppm1 0.780 ppm2 2.471 CV 1
ASSI { 1829}
( segid " " and resid 83 and name HG2%)
(( segid " " and resid 80 and name HA ))
2.700 0.900 0.900 peak 1829 spectrum 1 weight 0.11000E+01 volume 0.19340E-02 ppm1 0.912 ppm2 3.789 CV 1
ASSI { 1830}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 80 and name HA ))
4.500 4.500 1.500 peak 1830 spectrum 1 weight 0.11000E+01 volume 0.13286E-02 ppm1 0.757 ppm2 3.785 CV 1
ASSI { 1843}
(( segid " " and resid 14 and name HB1 ))
( segid " " and resid 55 and name HG2%)
2.900 2.900 3.100 peak 1843 spectrum 1 weight 0.11000E+01 volume 0.22319E-02 ppm1 2.104 ppm2 1.357 CV 1
ASSI { 1844}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.400 0.700 0.700 peak 1844 spectrum 1 weight 0.11000E+01 volume 0.51353E-02 ppm1 2.110 ppm2 3.917 CV 1
ASSI { 1853}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HD1 ))
3.300 1.400 1.400 peak 1853 spectrum 1 weight 0.11000E+01 volume 0.18773E-02 ppm1 3.796 ppm2 1.650 CV 1
ASSI { 1854}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HG1 ))
2.900 1.000 1.000 peak 1854 spectrum 1 weight 0.11000E+01 volume 0.19524E-02 ppm1 3.797 ppm2 1.380 CV 1
ASSI { 1860}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 85 and name HB1 ))
3.200 1.300 1.300 peak 1860 spectrum 1 weight 0.11000E+01 volume 0.16179E-02 ppm1 4.188 ppm2 3.856 CV 1
ASSI { 1866}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 91 and name HB ))
3.200 1.300 1.300 peak 1866 spectrum 1 weight 0.11000E+01 volume 0.12646E-02 ppm1 4.355 ppm2 1.984 CV 1
ASSI { 1868}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 42 and name HB1 ))
5.500 3.700 0.500 peak 1868 spectrum 1 weight 0.11000E+01 volume 0.25496E-03 ppm1 4.712 ppm2 3.036 CV 1
ASSI { 1871}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HB1 ))
4.400 2.400 1.600 peak 1871 spectrum 1 weight 0.11000E+01 volume 0.89633E-03 ppm1 4.401 ppm2 3.060 CV 1
ASSI { 1873}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 14 and name HA ))
4.800 2.800 1.200 peak 1873 spectrum 1 weight 0.11000E+01 volume 0.41253E-03 ppm1 3.683 ppm2 3.920 CV 1
ASSI { 1876}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
2.600 0.900 0.900 peak 1876 spectrum 1 weight 0.11000E+01 volume 0.28790E-02 ppm1 4.121 ppm2 1.768 CV 1
ASSI { 1880}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HA ))
3.800 1.800 1.800 peak 1880 spectrum 1 weight 0.11000E+01 volume 0.13200E-02 ppm1 2.225 ppm2 4.077 CV 1
ASSI { 1881}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HA ))
4.000 2.000 2.000 peak 1881 spectrum 1 weight 0.11000E+01 volume 0.11803E-02 ppm1 2.063 ppm2 4.077 CV 1
ASSI { 1901}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HD1 ))
2.500 0.800 0.800 peak 1901 spectrum 1 weight 0.11000E+01 volume 0.46728E-02 ppm1 1.576 ppm2 3.182 CV 1
ASSI { 1905}
(( segid " " and resid 65 and name HG2 ))
(( segid " " and resid 65 and name HD1 ))
2.400 0.700 0.700 peak 1905 spectrum 1 weight 0.11000E+01 volume 0.50845E-02 ppm1 1.716 ppm2 3.246 CV 1
ASSI { 1912}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HD1 ))
3.000 1.100 1.100 peak 1912 spectrum 1 weight 0.11000E+01 volume 0.23895E-02 ppm1 4.122 ppm2 1.492 CV 1
ASSI { 1913}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HG1 ))
2.800 1.000 1.000 peak 1913 spectrum 1 weight 0.11000E+01 volume 0.31906E-02 ppm1 4.122 ppm2 1.603 CV 1
ASSI { 1914}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB1 ))
2.900 1.100 1.100 peak 1914 spectrum 1 weight 0.11000E+01 volume 0.35732E-02 ppm1 4.123 ppm2 1.943 CV 1
ASSI { 1917}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 21 and name HB1 ))
2.500 0.800 0.800 peak 1917 spectrum 1 weight 0.11000E+01 volume 0.24955E-02 ppm1 0.908 ppm2 3.052 CV 1
ASSI { 1918}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HB1 ))
3.100 3.100 2.900 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.99375E-03 ppm1 1.533 ppm2 1.669 CV 1
ASSI { 1919}
( segid " " and resid 54 and name HD1%)
(( segid " " and resid 57 and name HB1 ))
5.000 5.000 1.000 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.47235E-03 ppm1 0.221 ppm2 1.609 CV 1
ASSI { 1932}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 59 and name HD1%)
4.700 4.700 1.300 peak 1932 spectrum 1 weight 0.11000E+01 volume 0.56529E-03 ppm1 3.657 ppm2 0.879 CV 1
ASSI { 1934}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.33234E-02 ppm1 3.651 ppm2 1.359 CV 1
ASSI { 1967}
( segid " " and resid 79 and name HG1%)
( segid " " and resid 24 and name HD% )
6.000 6.000 0.000 peak 1967 spectrum 1 weight 0.11000E+01 volume 0.56977E-04 ppm1 1.363 ppm2 6.994 CV 1
ASSI { 1968}
( segid " " and resid 79 and name HG2%)
( segid " " and resid 82 and name HD% )
4.300 4.300 1.700 peak 1968 spectrum 1 weight 0.11000E+01 volume 0.71489E-03 ppm1 1.000 ppm2 7.066 CV 1
ASSI { 1974}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 76 and name HD1 ))
4.800 2.800 1.200 peak 1974 spectrum 1 weight 0.11000E+01 volume 0.52136E-03 ppm1 0.032 ppm2 3.173 CV 1
ASSI { 1989}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG1 ))
2.900 1.100 1.100 peak 1989 spectrum 1 weight 0.11000E+01 volume 0.26807E-02 ppm1 4.094 ppm2 1.699 CV 1
ASSI { 1990}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG2 ))
2.800 1.000 1.000 peak 1990 spectrum 1 weight 0.11000E+01 volume 0.34634E-02 ppm1 4.098 ppm2 1.576 CV 1
ASSI { 1991}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 12 and name HG1 ))
2.600 0.800 0.800 peak 1991 spectrum 1 weight 0.11000E+01 volume 0.71664E-02 ppm1 3.196 ppm2 1.700 CV 1
ASSI { 1993}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HG2 ))
2.300 0.700 0.700 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.70336E-02 ppm1 1.875 ppm2 1.568 CV 1
ASSI { 1995}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 63 and name HB1 ))
4.300 2.400 1.700 peak 1995 spectrum 1 weight 0.11000E+01 volume 0.13544E-02 ppm1 1.364 ppm2 4.061 CV 1
ASSI { 2007}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 64 and name HA ))
3.100 1.200 1.200 peak 2007 spectrum 1 weight 0.11000E+01 volume 0.20795E-02 ppm1 0.887 ppm2 4.606 CV 1
ASSI { 2011}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 16 and name HB2 ))
5.300 3.600 0.700 peak 2011 spectrum 1 weight 0.11000E+01 volume 0.19194E-03 ppm1 4.248 ppm2 2.509 CV 1
ASSI { 2016}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 67 and name HA ))
5.600 3.900 0.400 peak 2016 spectrum 1 weight 0.11000E+01 volume 0.21549E-03 ppm1 4.289 ppm2 2.795 CV 1
ASSI { 2026}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 67 and name HG1 ))
5.100 3.200 0.900 peak 2026 spectrum 1 weight 0.11000E+01 volume 0.18270E-03 ppm1 3.162 ppm2 1.097 CV 1
ASSI { 2027}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 20 and name HB2 ))
3.700 1.700 1.700 peak 2027 spectrum 1 weight 0.11000E+01 volume 0.26769E-03 ppm1 -0.016 ppm2 2.907 CV 1
ASSI { 2029}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 20 and name HB1 ))
3.700 1.700 1.700 peak 2029 spectrum 1 weight 0.11000E+01 volume 0.43036E-03 ppm1 0.634 ppm2 3.161 CV 1
ASSI { 2030}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 20 and name HB1 ))
4.400 2.400 1.600 peak 2030 spectrum 1 weight 0.11000E+01 volume 0.27565E-03 ppm1 -0.013 ppm2 3.166 CV 1
ASSI { 2039}
(( segid " " and resid 16 and name HB1 ))
( segid " " and resid 13 and name HD2%)
5.000 3.100 1.000 peak 2039 spectrum 1 weight 0.11000E+01 volume 0.30652E-03 ppm1 2.799 ppm2 0.881 CV 1
ASSI { 2042}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 16 and name HB2 ))
3.700 1.700 1.700 peak 2042 spectrum 1 weight 0.11000E+01 volume 0.53952E-03 ppm1 0.878 ppm2 2.518 CV 1
ASSI { 2048}
(( segid " " and resid 17 and name HB1 ))
( segid " " and resid 59 and name HD2%)
5.300 5.300 0.700 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.21008E-03 ppm1 3.692 ppm2 0.808 CV 1
ASSI { 2056}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 90 and name HG11))
2.600 0.900 0.900 peak 2056 spectrum 1 weight 0.11000E+01 volume 0.48843E-02 ppm1 4.085 ppm2 1.380 CV 1
ASSI { 2065}
( segid " " and resid 53 and name HG2%)
(( segid " " and resid 49 and name HB2 ))
4.300 2.300 1.700 peak 2065 spectrum 1 weight 0.11000E+01 volume 0.59237E-03 ppm1 0.947 ppm2 2.656 CV 1
ASSI { 2066}
( segid " " and resid 53 and name HG2%)
(( segid " " and resid 49 and name HB1 ))
3.600 3.600 2.400 peak 2066 spectrum 1 weight 0.11000E+01 volume 0.64742E-03 ppm1 0.943 ppm2 2.814 CV 1
ASSI { 2075}
(( segid " " and resid 75 and name HE2 ))
( segid " " and resid 20 and name HE% )
3.400 1.400 1.400 peak 2075 spectrum 1 weight 0.11000E+01 volume 0.51405E-03 ppm1 3.003 ppm2 6.877 CV 1
ASSI { 2076}
(( segid " " and resid 75 and name HE1 ))
( segid " " and resid 21 and name HE% )
4.600 2.600 1.400 peak 2076 spectrum 1 weight 0.11000E+01 volume 0.13400E-03 ppm1 3.111 ppm2 7.312 CV 1
ASSI { 2079}
(( segid " " and resid 75 and name HE2 ))
( segid " " and resid 21 and name HE% )
3.700 3.700 2.300 peak 2079 spectrum 1 weight 0.11000E+01 volume 0.59587E-03 ppm1 3.001 ppm2 7.312 CV 1
ASSI { 2080}
(( segid " " and resid 75 and name HE1 ))
(( segid " " and resid 75 and name HA ))
4.800 2.900 1.200 peak 2080 spectrum 1 weight 0.11000E+01 volume 0.40041E-03 ppm1 3.121 ppm2 4.266 CV 1
ASSI { 2094}
(( segid " " and resid 57 and name HB1 ))
(( segid " " and resid 57 and name HE1 ))
4.600 2.600 1.400 peak 2094 spectrum 1 weight 0.11000E+01 volume 0.32753E-03 ppm1 1.666 ppm2 2.654 CV 1
ASSI { 2095}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HE1 ))
5.700 4.000 0.300 peak 2095 spectrum 1 weight 0.11000E+01 volume 0.16265E-03 ppm1 3.767 ppm2 2.656 CV 1
ASSI { 2100}
( segid " " and resid 54 and name HD2%)
( segid " " and resid 50 and name HD1%)
4.700 4.700 1.300 peak 2100 spectrum 1 weight 0.11000E+01 volume 0.74260E-03 ppm1 0.007 ppm2 0.432 CV 1
ASSI { 2104}
(( segid " " and resid 54 and name HG ))
( segid " " and resid 82 and name HD% )
4.700 2.700 1.300 peak 2104 spectrum 1 weight 0.11000E+01 volume 0.16711E-03 ppm1 1.193 ppm2 7.067 CV 1
ASSI { 2105}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 64 and name HA ))
2.900 2.900 3.100 peak 2105 spectrum 1 weight 0.11000E+01 volume 0.35627E-02 ppm1 0.867 ppm2 4.605 CV 1
ASSI { 2112}
( segid " " and resid 79 and name HG2%)
( segid " " and resid 24 and name HD% )
4.100 4.100 1.900 peak 2112 spectrum 1 weight 0.11000E+01 volume 0.40104E-03 ppm1 1.016 ppm2 6.983 CV 1
ASSI { 2114}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
2.000 0.500 0.500 peak 2114 spectrum 1 weight 0.11000E+01 volume 0.69008E-02 ppm1 3.712 ppm2 3.805 CV 1
ASSI { 2119}
(( segid " " and resid 10 and name HB1 ))
( segid " " and resid 13 and name HD1%)
4.500 4.500 1.500 peak 2119 spectrum 1 weight 0.11000E+01 volume 0.41603E-03 ppm1 3.922 ppm2 0.945 CV 1
ASSI { 2146}
(( segid " " and resid 34 and name HG1 ))
( segid " " and resid 87 and name HE% )
3.700 1.700 1.700 peak 2146 spectrum 1 weight 0.11000E+01 volume 0.27119E-03 ppm1 2.504 ppm2 1.522 CV 1
ASSI { 2149}
(( segid " " and resid 65 and name HG2 ))
(( segid " " and resid 65 and name HA ))
2.700 0.900 0.900 peak 2149 spectrum 1 weight 0.11000E+01 volume 0.35217E-02 ppm1 1.715 ppm2 4.263 CV 1
ASSI { 2154}
(( segid " " and resid 65 and name HD1 ))
(( segid " " and resid 65 and name HG1 ))
2.700 0.900 0.900 peak 2154 spectrum 1 weight 0.11000E+01 volume 0.61381E-02 ppm1 3.268 ppm2 1.810 CV 1
ASSI { 2155}
(( segid " " and resid 65 and name HD1 ))
(( segid " " and resid 65 and name HB2 ))
2.700 0.900 0.900 peak 2155 spectrum 1 weight 0.11000E+01 volume 0.54351E-02 ppm1 3.268 ppm2 1.752 CV 1
ASSI { 2156}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HE1 ))
5.100 3.200 0.900 peak 2156 spectrum 1 weight 0.11000E+01 volume 0.27374E-03 ppm1 4.118 ppm2 2.962 CV 1
ASSI { 2157}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 71 and name HG ))
3.500 1.500 1.500 peak 2157 spectrum 1 weight 0.11000E+01 volume 0.15078E-02 ppm1 1.601 ppm2 1.168 CV 1
ASSI { 2163}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 24 and name HB2 ))
5.000 3.100 1.000 peak 2163 spectrum 1 weight 0.11000E+01 volume 0.13241E-03 ppm1 0.426 ppm2 2.896 CV 1
ASSI { 2166}
( segid " " and resid 28 and name HD2%)
( segid " " and resid 71 and name HD2%)
4.800 2.900 1.200 peak 2166 spectrum 1 weight 0.11000E+01 volume 0.18207E-03 ppm1 0.973 ppm2 0.411 CV 1
ASSI { 2167}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 83 and name HB ))
3.500 1.500 1.500 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.23127E-02 ppm1 3.795 ppm2 1.976 CV 1
ASSI { 2168}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HE1 ))
5.200 5.200 0.800 peak 2168 spectrum 1 weight 0.11000E+01 volume 0.16170E-03 ppm1 3.804 ppm2 2.932 CV 1
ASSI { 3}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 17 and name HE1 ))
2.700 2.700 3.300 peak 3 spectrum 2 weight 0.11000E+01 volume 0.45878E-02 ppm1 0.960 ppm2 10.462 CV 1
ASSI { 4}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 17 and name HE1 ))
3.200 1.200 1.200 peak 4 spectrum 2 weight 0.11000E+01 volume 0.21946E-02 ppm1 0.892 ppm2 10.464 CV 1
ASSI { 5}
(( segid " " and resid 84 and name HB1 ))
(( segid " " and resid 84 and name HN ))
2.800 1.000 1.000 peak 5 spectrum 2 weight 0.11000E+01 volume 0.18576E-02 ppm1 2.943 ppm2 8.282 CV 1
ASSI { 7}
(( segid " " and resid 84 and name HB1 ))
(( segid " " and resid 84 and name HD21))
2.300 0.700 0.700 peak 7 spectrum 2 weight 0.11000E+01 volume 0.37725E-02 ppm1 2.934 ppm2 7.753 CV 1
ASSI { 8}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HD21))
3.400 1.400 1.400 peak 8 spectrum 2 weight 0.11000E+01 volume 0.37100E-02 ppm1 2.782 ppm2 7.749 CV 1
ASSI { 13}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 79 and name HN ))
2.700 0.900 0.900 peak 13 spectrum 2 weight 0.11000E+01 volume 0.22747E-02 ppm1 0.994 ppm2 8.542 CV 1
ASSI { 15}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 80 and name HN ))
3.000 3.000 3.000 peak 15 spectrum 2 weight 0.11000E+01 volume 0.14040E-02 ppm1 0.980 ppm2 8.833 CV 1
ASSI { 16}
( segid " " and resid 79 and name HG1%)
(( segid " " and resid 80 and name HN ))
3.700 1.700 1.700 peak 16 spectrum 2 weight 0.11000E+01 volume 0.23883E-02 ppm1 1.365 ppm2 8.847 CV 1
ASSI { 17}
(( segid " " and resid 71 and name HB1 ))
(( segid " " and resid 71 and name HN ))
2.900 1.000 1.000 peak 17 spectrum 2 weight 0.11000E+01 volume 0.39369E-02 ppm1 1.471 ppm2 8.442 CV 1
ASSI { 18}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HN ))
2.600 0.800 0.800 peak 18 spectrum 2 weight 0.11000E+01 volume 0.23023E-02 ppm1 0.768 ppm2 8.446 CV 1
ASSI { 19}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 71 and name HN ))
2.600 0.800 0.800 peak 19 spectrum 2 weight 0.11000E+01 volume 0.50424E-02 ppm1 2.444 ppm2 8.442 CV 1
ASSI { 20}
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 65 and name HN ))
2.700 0.900 0.900 peak 20 spectrum 2 weight 0.11000E+01 volume 0.36425E-02 ppm1 1.997 ppm2 7.307 CV 1
ASSI { 21}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HN ))
2.700 0.900 0.900 peak 21 spectrum 2 weight 0.11000E+01 volume 0.31351E-02 ppm1 1.741 ppm2 7.303 CV 1
ASSI { 22}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HN ))
4.300 2.300 1.700 peak 22 spectrum 2 weight 0.11000E+01 volume 0.79108E-03 ppm1 3.136 ppm2 8.865 CV 1
ASSI { 32}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HN ))
4.000 2.000 2.000 peak 32 spectrum 2 weight 0.11000E+01 volume 0.88928E-03 ppm1 2.805 ppm2 8.844 CV 1
ASSI { 33}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 33 spectrum 2 weight 0.11000E+01 volume 0.97472E-03 ppm1 2.535 ppm2 8.844 CV 1
ASSI { 34}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HN ))
3.300 1.400 1.400 peak 34 spectrum 2 weight 0.11000E+01 volume 0.28209E-02 ppm1 2.928 ppm2 7.742 CV 1
ASSI { 35}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.800 0.900 0.900 peak 35 spectrum 2 weight 0.11000E+01 volume 0.24824E-02 ppm1 2.800 ppm2 7.739 CV 1
ASSI { 36}
(( segid " " and resid 96 and name HG1 ))
(( segid " " and resid 96 and name HN ))
3.700 1.700 1.700 peak 36 spectrum 2 weight 0.11000E+01 volume 0.20154E-02 ppm1 2.430 ppm2 8.135 CV 1
ASSI { 37}
(( segid " " and resid 96 and name HG2 ))
(( segid " " and resid 96 and name HN ))
3.500 3.500 2.500 peak 37 spectrum 2 weight 0.11000E+01 volume 0.27668E-02 ppm1 2.315 ppm2 8.100 CV 1
ASSI { 39}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HN ))
2.500 0.800 0.800 peak 39 spectrum 2 weight 0.11000E+01 volume 0.42640E-02 ppm1 2.142 ppm2 7.695 CV 1
ASSI { 42}
(( segid " " and resid 45 and name HG1 ))
(( segid " " and resid 45 and name HN ))
3.000 3.000 3.000 peak 42 spectrum 2 weight 0.11000E+01 volume 0.40831E-02 ppm1 2.463 ppm2 7.852 CV 1
ASSI { 43}
(( segid " " and resid 34 and name HG1 ))
(( segid " " and resid 34 and name HN ))
3.500 1.500 1.500 peak 43 spectrum 2 weight 0.11000E+01 volume 0.29019E-02 ppm1 2.489 ppm2 8.858 CV 1
ASSI { 44}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HN ))
2.100 0.500 0.500 peak 44 spectrum 2 weight 0.11000E+01 volume 0.28048E-02 ppm1 2.262 ppm2 8.858 CV 1
ASSI { 45}
(( segid " " and resid 34 and name HG1 ))
(( segid " " and resid 34 and name HE21))
3.000 1.100 1.100 peak 45 spectrum 2 weight 0.11000E+01 volume 0.13429E-02 ppm1 2.493 ppm2 7.363 CV 1
ASSI { 46}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HE21))
3.100 1.200 1.200 peak 46 spectrum 2 weight 0.11000E+01 volume 0.10985E-02 ppm1 2.261 ppm2 7.356 CV 1
ASSI { 49}
(( segid " " and resid 69 and name HB1 ))
(( segid " " and resid 69 and name HN ))
3.200 1.200 1.200 peak 49 spectrum 2 weight 0.11000E+01 volume 0.30522E-02 ppm1 2.616 ppm2 8.187 CV 1
ASSI { 50}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HN ))
2.700 0.900 0.900 peak 50 spectrum 2 weight 0.11000E+01 volume 0.33266E-02 ppm1 2.443 ppm2 8.188 CV 1
ASSI { 52}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HD22))
4.700 2.800 1.300 peak 52 spectrum 2 weight 0.11000E+01 volume 0.78276E-03 ppm1 2.780 ppm2 6.737 CV 1
ASSI { 53}
(( segid " " and resid 88 and name HB1 ))
(( segid " " and resid 88 and name HN ))
2.800 1.000 1.000 peak 53 spectrum 2 weight 0.11000E+01 volume 0.35478E-02 ppm1 2.828 ppm2 7.704 CV 1
ASSI { 54}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 88 and name HN ))
2.600 0.900 0.900 peak 54 spectrum 2 weight 0.11000E+01 volume 0.31276E-02 ppm1 2.579 ppm2 7.709 CV 1
ASSI { 55}
(( segid " " and resid 7 and name HB ))
(( segid " " and resid 7 and name HN ))
2.400 0.700 0.700 peak 55 spectrum 2 weight 0.11000E+01 volume 0.58066E-02 ppm1 2.024 ppm2 8.248 CV 1
ASSI { 56}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 7 and name HN ))
2.300 2.300 3.700 peak 56 spectrum 2 weight 0.11000E+01 volume 0.10461E-01 ppm1 0.887 ppm2 8.244 CV 1
ASSI { 57}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HN ))
3.600 1.600 1.600 peak 57 spectrum 2 weight 0.11000E+01 volume 0.12991E-02 ppm1 2.409 ppm2 8.721 CV 1
OR { 57}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HN ))
ASSI { 58}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 58 spectrum 2 weight 0.11000E+01 volume 0.14739E-02 ppm1 2.117 ppm2 8.721 CV 1
OR { 58}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HN ))
ASSI { 59}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HN ))
3.200 1.300 1.300 peak 59 spectrum 2 weight 0.11000E+01 volume 0.31637E-02 ppm1 2.347 ppm2 8.112 CV 1
OR { 59}
(( segid " " and resid 11 and name HG1 ))
(( segid " " and resid 11 and name HN ))
ASSI { 60}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HN ))
2.400 0.700 0.700 peak 60 spectrum 2 weight 0.11000E+01 volume 0.64734E-02 ppm1 2.090 ppm2 8.087 CV 1
OR { 60}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
ASSI { 61}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 25 and name HN ))
2.400 2.400 3.600 peak 61 spectrum 2 weight 0.11000E+01 volume 0.51084E-02 ppm1 0.680 ppm2 8.108 CV 1
ASSI { 62}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 22 and name HN ))
2.200 0.600 0.600 peak 62 spectrum 2 weight 0.11000E+01 volume 0.12809E-01 ppm1 1.476 ppm2 9.302 CV 1
ASSI { 66}
(( segid " " and resid 43 and name HG11))
(( segid " " and resid 43 and name HN ))
2.600 0.900 0.900 peak 66 spectrum 2 weight 0.11000E+01 volume 0.35991E-02 ppm1 1.599 ppm2 8.550 CV 1
ASSI { 67}
(( segid " " and resid 43 and name HG12))
(( segid " " and resid 43 and name HN ))
3.400 1.500 1.500 peak 67 spectrum 2 weight 0.11000E+01 volume 0.21839E-02 ppm1 1.197 ppm2 8.546 CV 1
ASSI { 68}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HN ))
3.300 1.300 1.300 peak 68 spectrum 2 weight 0.11000E+01 volume 0.49025E-02 ppm1 0.879 ppm2 8.554 CV 1
ASSI { 69}
( segid " " and resid 53 and name HG2%)
(( segid " " and resid 53 and name HN ))
2.700 2.700 3.300 peak 69 spectrum 2 weight 0.11000E+01 volume 0.45337E-02 ppm1 0.958 ppm2 8.141 CV 1
ASSI { 70}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 53 and name HN ))
3.500 1.500 1.500 peak 70 spectrum 2 weight 0.11000E+01 volume 0.25209E-02 ppm1 0.737 ppm2 8.124 CV 1
ASSI { 71}
(( segid " " and resid 91 and name HB ))
(( segid " " and resid 91 and name HN ))
2.100 0.600 0.600 peak 71 spectrum 2 weight 0.11000E+01 volume 0.12072E-01 ppm1 2.002 ppm2 8.023 CV 1
ASSI { 72}
(( segid " " and resid 91 and name HG11))
(( segid " " and resid 91 and name HN ))
2.900 2.900 3.100 peak 72 spectrum 2 weight 0.11000E+01 volume 0.22989E-02 ppm1 1.613 ppm2 8.016 CV 1
ASSI { 73}
(( segid " " and resid 91 and name HG12))
(( segid " " and resid 91 and name HN ))
4.000 2.000 2.000 peak 73 spectrum 2 weight 0.11000E+01 volume 0.74275E-03 ppm1 1.179 ppm2 8.008 CV 1
ASSI { 74}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 91 and name HN ))
3.300 1.300 1.300 peak 74 spectrum 2 weight 0.11000E+01 volume 0.30292E-02 ppm1 0.786 ppm2 8.012 CV 1
ASSI { 75}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 80 and name HN ))
3.300 1.400 1.400 peak 75 spectrum 2 weight 0.11000E+01 volume 0.22460E-02 ppm1 2.356 ppm2 8.825 CV 1
ASSI { 76}
(( segid " " and resid 80 and name HB1 ))
(( segid " " and resid 80 and name HN ))
2.500 2.500 3.500 peak 76 spectrum 2 weight 0.11000E+01 volume 0.48675E-02 ppm1 2.002 ppm2 8.837 CV 1
ASSI { 77}
(( segid " " and resid 80 and name HD1 ))
(( segid " " and resid 80 and name HN ))
3.600 1.600 1.600 peak 77 spectrum 2 weight 0.11000E+01 volume 0.19183E-02 ppm1 1.679 ppm2 8.833 CV 1
ASSI { 78}
(( segid " " and resid 80 and name HG1 ))
(( segid " " and resid 80 and name HN ))
4.000 2.000 2.000 peak 78 spectrum 2 weight 0.11000E+01 volume 0.11584E-02 ppm1 1.365 ppm2 8.847 CV 1
ASSI { 80}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 79 and name HN ))
3.200 1.300 1.300 peak 80 spectrum 2 weight 0.11000E+01 volume 0.34244E-02 ppm1 2.356 ppm2 8.521 CV 1
ASSI { 82}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 73 and name HN ))
3.300 1.400 1.400 peak 82 spectrum 2 weight 0.11000E+01 volume 0.68415E-02 ppm1 1.334 ppm2 8.887 CV 1
ASSI { 83}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 82 and name HN ))
3.600 3.600 2.400 peak 83 spectrum 2 weight 0.11000E+01 volume 0.13717E-02 ppm1 2.068 ppm2 7.950 CV 1
ASSI { 85}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 44 and name HN ))
2.600 0.800 0.800 peak 85 spectrum 2 weight 0.11000E+01 volume 0.47582E-02 ppm1 2.024 ppm2 7.695 CV 1
ASSI { 86}
(( segid " " and resid 7 and name HB ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 86 spectrum 2 weight 0.11000E+01 volume 0.23437E-02 ppm1 2.028 ppm2 8.519 CV 1
ASSI { 87}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 8 and name HN ))
3.200 3.200 2.800 peak 87 spectrum 2 weight 0.11000E+01 volume 0.35901E-02 ppm1 0.883 ppm2 8.515 CV 1
ASSI { 88}
(( segid " " and resid 83 and name HB ))
(( segid " " and resid 83 and name HN ))
2.500 0.800 0.800 peak 88 spectrum 2 weight 0.11000E+01 volume 0.31332E-02 ppm1 1.975 ppm2 8.855 CV 1
ASSI { 89}
( segid " " and resid 83 and name HG2%)
(( segid " " and resid 83 and name HN ))
2.900 1.000 1.000 peak 89 spectrum 2 weight 0.11000E+01 volume 0.18523E-02 ppm1 0.923 ppm2 8.880 CV 1
ASSI { 90}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 83 and name HN ))
3.700 1.700 1.700 peak 90 spectrum 2 weight 0.11000E+01 volume 0.20504E-02 ppm1 0.786 ppm2 8.868 CV 1
ASSI { 91}
(( segid " " and resid 52 and name HB1 ))
(( segid " " and resid 52 and name HN ))
2.600 0.900 0.900 peak 91 spectrum 2 weight 0.11000E+01 volume 0.40335E-02 ppm1 1.966 ppm2 7.539 CV 1
ASSI { 92}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 52 and name HN ))
3.400 1.500 1.500 peak 92 spectrum 2 weight 0.11000E+01 volume 0.38582E-02 ppm1 0.927 ppm2 7.535 CV 1
ASSI { 95}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 47 and name HN ))
4.100 2.100 1.900 peak 95 spectrum 2 weight 0.11000E+01 volume 0.15313E-02 ppm1 2.740 ppm2 8.081 CV 1
ASSI { 97}
( segid " " and resid 47 and name HB% )
(( segid " " and resid 47 and name HN ))
2.000 0.500 0.500 peak 97 spectrum 2 weight 0.11000E+01 volume 0.18055E-01 ppm1 1.330 ppm2 8.087 CV 1
ASSI { 98}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 42 and name HN ))
3.800 3.800 2.200 peak 98 spectrum 2 weight 0.11000E+01 volume 0.33972E-03 ppm1 2.249 ppm2 8.575 CV 1
ASSI { 99}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 90 and name HN ))
2.600 0.800 0.800 peak 99 spectrum 2 weight 0.11000E+01 volume 0.43386E-02 ppm1 1.989 ppm2 7.601 CV 1
ASSI { 100}
(( segid " " and resid 90 and name HG11))
(( segid " " and resid 90 and name HN ))
3.600 1.600 1.600 peak 100 spectrum 2 weight 0.11000E+01 volume 0.44039E-02 ppm1 1.418 ppm2 7.599 CV 1
ASSI { 101}
(( segid " " and resid 90 and name HG12))
(( segid " " and resid 90 and name HN ))
2.200 0.600 0.600 peak 101 spectrum 2 weight 0.11000E+01 volume 0.37019E-02 ppm1 1.188 ppm2 7.597 CV 1
ASSI { 102}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 90 and name HN ))
3.800 1.800 1.800 peak 102 spectrum 2 weight 0.11000E+01 volume 0.24344E-02 ppm1 0.781 ppm2 7.599 CV 1
ASSI { 105}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 55 and name HN ))
2.400 0.700 0.700 peak 105 spectrum 2 weight 0.11000E+01 volume 0.44147E-02 ppm1 1.356 ppm2 8.310 CV 1
ASSI { 106}
(( segid " " and resid 58 and name HG1 ))
(( segid " " and resid 58 and name HN ))
3.400 1.400 1.400 peak 106 spectrum 2 weight 0.11000E+01 volume 0.23204E-02 ppm1 1.677 ppm2 7.314 CV 1
ASSI { 108}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 89 and name HN ))
3.800 1.800 1.800 peak 108 spectrum 2 weight 0.11000E+01 volume 0.20695E-02 ppm1 2.584 ppm2 7.486 CV 1
ASSI { 109}
( segid " " and resid 56 and name HG2%)
(( segid " " and resid 56 and name HN ))
3.400 1.500 1.500 peak 109 spectrum 2 weight 0.11000E+01 volume 0.36981E-02 ppm1 1.135 ppm2 8.016 CV 1
ASSI { 110}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 56 and name HN ))
2.600 0.800 0.800 peak 110 spectrum 2 weight 0.11000E+01 volume 0.37870E-02 ppm1 1.364 ppm2 8.024 CV 1
ASSI { 111}
(( segid " " and resid 62 and name HB1 ))
(( segid " " and resid 62 and name HN ))
4.000 2.000 2.000 peak 111 spectrum 2 weight 0.11000E+01 volume 0.90700E-03 ppm1 2.771 ppm2 7.807 CV 1
ASSI { 113}
(( segid " " and resid 87 and name HG1 ))
(( segid " " and resid 87 and name HN ))
3.300 3.300 2.700 peak 113 spectrum 2 weight 0.11000E+01 volume 0.45206E-03 ppm1 2.714 ppm2 8.682 CV 1
ASSI { 115}
(( segid " " and resid 68 and name HB1 ))
(( segid " " and resid 69 and name HN ))
2.900 1.100 1.100 peak 115 spectrum 2 weight 0.11000E+01 volume 0.57219E-02 ppm1 2.081 ppm2 8.186 CV 1
ASSI { 116}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 116 spectrum 2 weight 0.11000E+01 volume 0.23312E-02 ppm1 2.148 ppm2 8.868 CV 1
ASSI { 118}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 6 and name HN ))
3.100 1.200 1.200 peak 118 spectrum 2 weight 0.11000E+01 volume 0.18235E-02 ppm1 1.790 ppm2 8.244 CV 1
ASSI { 119}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.300 1.400 1.400 peak 119 spectrum 2 weight 0.11000E+01 volume 0.13175E-02 ppm1 2.126 ppm2 8.434 CV 1
OR { 119}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 10 and name HN ))
ASSI { 120}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HN ))
3.000 3.000 3.000 peak 120 spectrum 2 weight 0.11000E+01 volume 0.22615E-02 ppm1 1.988 ppm2 7.349 CV 1
ASSI { 121}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.900 1.100 1.100 peak 121 spectrum 2 weight 0.11000E+01 volume 0.33987E-02 ppm1 1.781 ppm2 7.345 CV 1
ASSI { 122}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HN ))
3.300 1.300 1.300 peak 122 spectrum 2 weight 0.11000E+01 volume 0.21861E-02 ppm1 1.852 ppm2 7.702 CV 1
ASSI { 123}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 70 and name HN ))
2.700 0.900 0.900 peak 123 spectrum 2 weight 0.11000E+01 volume 0.55008E-02 ppm1 2.444 ppm2 7.535 CV 1
OR { 123}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 70 and name HN ))
ASSI { 125}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 42 and name HD22))
4.900 3.000 1.100 peak 125 spectrum 2 weight 0.11000E+01 volume 0.33257E-03 ppm1 3.023 ppm2 6.935 CV 1
ASSI { 126}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HD21))
3.100 1.200 1.200 peak 126 spectrum 2 weight 0.11000E+01 volume 0.83774E-03 ppm1 2.586 ppm2 8.221 CV 1
ASSI { 127}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HD22))
4.900 4.900 1.100 peak 127 spectrum 2 weight 0.11000E+01 volume 0.42312E-03 ppm1 2.935 ppm2 7.066 CV 1
ASSI { 130}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 23 and name HN ))
3.000 1.100 1.100 peak 130 spectrum 2 weight 0.11000E+01 volume 0.27601E-02 ppm1 1.462 ppm2 7.349 CV 1
ASSI { 2}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
3.000 1.100 1.100 peak 2 spectrum 3 weight 0.11000E+01 volume 0.15357E-02 ppm1 8.719 ppm2 9.311 CV 1
ASSI { 3}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HN ))
4.500 2.500 1.500 peak 3 spectrum 3 weight 0.11000E+01 volume 0.31348E-03 ppm1 8.724 ppm2 8.095 CV 1
ASSI { 4}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
3.100 1.200 1.200 peak 4 spectrum 3 weight 0.11000E+01 volume 0.14178E-02 ppm1 8.719 ppm2 7.794 CV 1
ASSI { 5}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 21 and name HD% )
3.500 1.500 1.500 peak 5 spectrum 3 weight 0.11000E+01 volume 0.13453E-02 ppm1 8.720 ppm2 7.522 CV 1
ASSI { 7}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HE% )
4.500 2.600 1.500 peak 7 spectrum 3 weight 0.11000E+01 volume 0.48003E-03 ppm1 8.718 ppm2 6.876 CV 1
ASSI { 8}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HD% )
3.200 1.200 1.200 peak 8 spectrum 3 weight 0.11000E+01 volume 0.15132E-02 ppm1 8.719 ppm2 6.648 CV 1
ASSI { 9}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 25 and name HG2%)
5.000 3.200 1.000 peak 9 spectrum 3 weight 0.11000E+01 volume 0.56928E-03 ppm1 8.719 ppm2 0.694 CV 1
ASSI { 10}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 51 and name HG2%)
4.900 3.000 1.100 peak 10 spectrum 3 weight 0.11000E+01 volume 0.65025E-03 ppm1 8.718 ppm2 0.928 CV 1
ASSI { 11}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 51 and name HG1%)
4.200 2.200 1.800 peak 11 spectrum 3 weight 0.11000E+01 volume 0.76393E-03 ppm1 8.720 ppm2 1.152 CV 1
ASSI { 13}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 22 and name HB% )
4.700 2.800 1.300 peak 13 spectrum 3 weight 0.11000E+01 volume 0.55272E-03 ppm1 8.721 ppm2 1.492 CV 1
ASSI { 14}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 25 and name HB ))
5.000 3.100 1.000 peak 14 spectrum 3 weight 0.11000E+01 volume 0.32764E-03 ppm1 8.709 ppm2 1.833 CV 1
ASSI { 16}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
2.600 0.800 0.800 peak 16 spectrum 3 weight 0.11000E+01 volume 0.22882E-02 ppm1 8.719 ppm2 3.145 CV 1
ASSI { 17}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 17 and name HB1 ))
4.200 2.300 1.800 peak 17 spectrum 3 weight 0.11000E+01 volume 0.29754E-03 ppm1 8.720 ppm2 3.693 CV 1
ASSI { 18}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HA ))
4.300 2.300 1.700 peak 18 spectrum 3 weight 0.11000E+01 volume 0.37211E-03 ppm1 8.721 ppm2 3.921 CV 1
ASSI { 19}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
3.100 1.200 1.200 peak 19 spectrum 3 weight 0.11000E+01 volume 0.12088E-02 ppm1 8.714 ppm2 4.160 CV 1
ASSI { 20}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
3.600 1.600 1.600 peak 20 spectrum 3 weight 0.11000E+01 volume 0.10777E-02 ppm1 8.721 ppm2 4.299 CV 1
ASSI { 21}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HA ))
3.400 1.500 1.500 peak 21 spectrum 3 weight 0.11000E+01 volume 0.68781E-03 ppm1 8.715 ppm2 4.392 CV 1
ASSI { 24}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
3.200 1.300 1.300 peak 24 spectrum 3 weight 0.11000E+01 volume 0.12122E-02 ppm1 8.167 ppm2 8.510 CV 1
ASSI { 34}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 34 spectrum 3 weight 0.11000E+01 volume 0.13547E-02 ppm1 8.228 ppm2 8.524 CV 1
ASSI { 36}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG1 ))
4.800 4.800 1.200 peak 36 spectrum 3 weight 0.11000E+01 volume 0.50510E-03 ppm1 8.227 ppm2 2.315 CV 1
ASSI { 37}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
3.000 3.000 3.000 peak 37 spectrum 3 weight 0.11000E+01 volume 0.21345E-02 ppm1 8.226 ppm2 4.431 CV 1
ASSI { 38}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HA ))
3.700 1.700 1.700 peak 38 spectrum 3 weight 0.11000E+01 volume 0.80663E-03 ppm1 8.227 ppm2 4.203 CV 1
ASSI { 39}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.800 3.800 2.200 peak 39 spectrum 3 weight 0.11000E+01 volume 0.61008E-03 ppm1 8.226 ppm2 3.966 CV 1
ASSI { 40}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.800 0.900 0.900 peak 40 spectrum 3 weight 0.11000E+01 volume 0.47187E-02 ppm1 8.227 ppm2 3.285 CV 1
ASSI { 41}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.400 3.400 2.600 peak 41 spectrum 3 weight 0.11000E+01 volume 0.27723E-02 ppm1 8.227 ppm2 2.135 CV 1
ASSI { 43}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 21 and name HN ))
3.600 3.600 2.400 peak 43 spectrum 3 weight 0.11000E+01 volume 0.10644E-02 ppm1 8.873 ppm2 8.751 CV 1
ASSI { 44}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 14 and name HN ))
4.700 4.700 1.300 peak 44 spectrum 3 weight 0.11000E+01 volume 0.34967E-03 ppm1 8.872 ppm2 8.317 CV 1
ASSI { 45}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
2.900 1.100 1.100 peak 45 spectrum 3 weight 0.11000E+01 volume 0.17688E-02 ppm1 8.874 ppm2 8.102 CV 1
ASSI { 46}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HD21))
3.400 1.400 1.400 peak 46 spectrum 3 weight 0.11000E+01 volume 0.70448E-03 ppm1 8.878 ppm2 7.557 CV 1
ASSI { 48}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.500 0.800 0.800 peak 48 spectrum 3 weight 0.11000E+01 volume 0.37307E-02 ppm1 8.874 ppm2 4.405 CV 1
ASSI { 49}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 14 and name HA ))
4.000 2.000 2.000 peak 49 spectrum 3 weight 0.11000E+01 volume 0.63336E-03 ppm1 8.873 ppm2 3.939 CV 1
ASSI { 50}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.500 1.500 1.500 peak 50 spectrum 3 weight 0.11000E+01 volume 0.88674E-03 ppm1 8.873 ppm2 3.688 CV 1
ASSI { 51}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.400 1.400 1.400 peak 51 spectrum 3 weight 0.11000E+01 volume 0.95052E-03 ppm1 8.874 ppm2 3.393 CV 1
ASSI { 53}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.800 1.000 1.000 peak 53 spectrum 3 weight 0.11000E+01 volume 0.21777E-02 ppm1 8.874 ppm2 2.892 CV 1
ASSI { 54}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 55 and name HG2%)
3.700 3.700 2.300 peak 54 spectrum 3 weight 0.11000E+01 volume 0.12881E-02 ppm1 8.873 ppm2 1.379 CV 1
ASSI { 55}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 51 and name HG1%)
4.500 2.600 1.500 peak 55 spectrum 3 weight 0.11000E+01 volume 0.10071E-02 ppm1 8.875 ppm2 1.163 CV 1
ASSI { 57}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HN ))
3.900 1.900 1.900 peak 57 spectrum 3 weight 0.11000E+01 volume 0.65476E-03 ppm1 8.874 ppm2 8.528 CV 1
ASSI { 62}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HN ))
3.400 1.500 1.500 peak 62 spectrum 3 weight 0.11000E+01 volume 0.13426E-02 ppm1 8.535 ppm2 8.287 CV 1
ASSI { 63}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HD21))
4.000 2.000 2.000 peak 63 spectrum 3 weight 0.11000E+01 volume 0.61407E-03 ppm1 8.535 ppm2 7.583 CV 1
ASSI { 64}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HD22))
4.700 2.800 1.300 peak 64 spectrum 3 weight 0.11000E+01 volume 0.39015E-03 ppm1 8.535 ppm2 6.866 CV 1
ASSI { 67}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HA ))
3.200 3.200 2.800 peak 67 spectrum 3 weight 0.11000E+01 volume 0.13935E-02 ppm1 8.534 ppm2 4.193 CV 1
ASSI { 68}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HD2 ))
4.900 3.000 1.100 peak 68 spectrum 3 weight 0.11000E+01 volume 0.17452E-03 ppm1 8.536 ppm2 7.075 CV 1
ASSI { 69}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.600 0.800 0.800 peak 69 spectrum 3 weight 0.11000E+01 volume 0.31671E-02 ppm1 8.534 ppm2 3.302 CV 1
ASSI { 71}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.700 1.700 1.700 peak 71 spectrum 3 weight 0.11000E+01 volume 0.24247E-02 ppm1 8.535 ppm2 2.774 CV 1
ASSI { 72}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 72 spectrum 3 weight 0.11000E+01 volume 0.13553E-02 ppm1 8.535 ppm2 2.513 CV 1
ASSI { 73}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 13 and name HD2%)
4.600 2.700 1.400 peak 73 spectrum 3 weight 0.11000E+01 volume 0.40567E-03 ppm1 8.536 ppm2 0.868 CV 1
ASSI { 78}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
2.600 0.900 0.900 peak 78 spectrum 3 weight 0.11000E+01 volume 0.29029E-02 ppm1 7.376 ppm2 7.714 CV 1
ASSI { 80}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 80 spectrum 3 weight 0.11000E+01 volume 0.30832E-02 ppm1 7.375 ppm2 8.501 CV 1
ASSI { 81}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 81 spectrum 3 weight 0.11000E+01 volume 0.53311E-03 ppm1 7.376 ppm2 8.862 CV 1
ASSI { 82}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
3.200 1.300 1.300 peak 82 spectrum 3 weight 0.11000E+01 volume 0.11350E-02 ppm1 7.374 ppm2 3.731 CV 1
ASSI { 84}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HA ))
3.300 3.300 2.700 peak 84 spectrum 3 weight 0.11000E+01 volume 0.18560E-02 ppm1 7.376 ppm2 4.333 CV 1
ASSI { 85}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
3.200 1.200 1.200 peak 85 spectrum 3 weight 0.11000E+01 volume 0.15624E-02 ppm1 7.377 ppm2 4.213 CV 1
ASSI { 86}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 33 and name HA ))
3.800 3.800 2.200 peak 86 spectrum 3 weight 0.11000E+01 volume 0.46691E-03 ppm1 7.376 ppm2 4.450 CV 1
ASSI { 87}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HG2 ))
4.300 4.300 1.700 peak 87 spectrum 3 weight 0.11000E+01 volume 0.77254E-03 ppm1 7.377 ppm2 2.289 CV 1
ASSI { 96}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 19 and name HN ))
4.100 2.100 1.900 peak 96 spectrum 3 weight 0.11000E+01 volume 0.42569E-03 ppm1 9.313 ppm2 8.101 CV 1
ASSI { 98}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 18 and name HA ))
3.500 1.500 1.500 peak 98 spectrum 3 weight 0.11000E+01 volume 0.63746E-03 ppm1 9.313 ppm2 4.407 CV 1
ASSI { 99}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.600 3.600 2.400 peak 99 spectrum 3 weight 0.11000E+01 volume 0.74726E-03 ppm1 9.312 ppm2 4.176 CV 1
ASSI { 100}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 19 and name HA ))
3.500 3.500 2.500 peak 100 spectrum 3 weight 0.11000E+01 volume 0.10026E-02 ppm1 9.312 ppm2 3.875 CV 1
ASSI { 101}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
3.400 1.400 1.400 peak 101 spectrum 3 weight 0.11000E+01 volume 0.97379E-03 ppm1 9.313 ppm2 3.747 CV 1
ASSI { 102}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HB1 ))
4.100 4.100 1.900 peak 102 spectrum 3 weight 0.11000E+01 volume 0.82498E-03 ppm1 9.312 ppm2 3.133 CV 1
ASSI { 103}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.800 2.800 3.200 peak 103 spectrum 3 weight 0.11000E+01 volume 0.69724E-03 ppm1 9.312 ppm2 2.902 CV 1
ASSI { 104}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 25 and name HB ))
4.100 2.100 1.900 peak 104 spectrum 3 weight 0.11000E+01 volume 0.52818E-03 ppm1 9.315 ppm2 1.848 CV 1
ASSI { 106}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 51 and name HG1%)
3.400 1.400 1.400 peak 106 spectrum 3 weight 0.11000E+01 volume 0.13740E-02 ppm1 9.310 ppm2 1.157 CV 1
ASSI { 107}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 51 and name HG2%)
3.300 1.300 1.300 peak 107 spectrum 3 weight 0.11000E+01 volume 0.14542E-02 ppm1 9.312 ppm2 0.922 CV 1
ASSI { 108}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 25 and name HG2%)
4.600 4.600 1.400 peak 108 spectrum 3 weight 0.11000E+01 volume 0.44259E-03 ppm1 9.312 ppm2 0.702 CV 1
ASSI { 109}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 24 and name HN ))
4.700 2.700 1.300 peak 109 spectrum 3 weight 0.11000E+01 volume 0.34033E-03 ppm1 9.312 ppm2 7.158 CV 1
ASSI { 110}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
2.000 0.500 0.500 peak 110 spectrum 3 weight 0.11000E+01 volume 0.17136E-01 ppm1 8.548 ppm2 8.549 CV 1
ASSI { 112}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HN ))
2.700 0.900 0.900 peak 112 spectrum 3 weight 0.11000E+01 volume 0.30191E-02 ppm1 8.547 ppm2 7.690 CV 1
ASSI { 114}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
3.600 1.600 1.600 peak 114 spectrum 3 weight 0.11000E+01 volume 0.85318E-03 ppm1 8.548 ppm2 4.554 CV 1
ASSI { 115}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 40 and name HA ))
3.600 3.600 2.400 peak 115 spectrum 3 weight 0.11000E+01 volume 0.93038E-03 ppm1 8.549 ppm2 4.278 CV 1
ASSI { 117}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
2.900 1.000 1.000 peak 117 spectrum 3 weight 0.11000E+01 volume 0.20286E-02 ppm1 8.548 ppm2 3.676 CV 1
ASSI { 118}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB1 ))
3.200 1.300 1.300 peak 118 spectrum 3 weight 0.11000E+01 volume 0.18465E-02 ppm1 8.547 ppm2 3.063 CV 1
ASSI { 120}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB2 ))
3.100 3.100 2.900 peak 120 spectrum 3 weight 0.11000E+01 volume 0.10041E-02 ppm1 8.548 ppm2 2.623 CV 1
ASSI { 121}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB ))
2.500 2.500 3.500 peak 121 spectrum 3 weight 0.11000E+01 volume 0.34023E-02 ppm1 8.546 ppm2 2.066 CV 1
ASSI { 126}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 92 and name HN ))
2.000 0.500 0.500 peak 126 spectrum 3 weight 0.11000E+01 volume 0.14944E-01 ppm1 8.020 ppm2 7.998 CV 1
ASSI { 127}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HN ))
2.800 2.800 3.200 peak 127 spectrum 3 weight 0.11000E+01 volume 0.17909E-02 ppm1 8.021 ppm2 7.575 CV 1
ASSI { 128}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 88 and name HA ))
3.800 1.800 1.800 peak 128 spectrum 3 weight 0.11000E+01 volume 0.47530E-03 ppm1 8.020 ppm2 4.363 CV 1
ASSI { 135}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HG11))
4.700 2.800 1.300 peak 135 spectrum 3 weight 0.11000E+01 volume 0.92147E-03 ppm1 8.020 ppm2 1.396 CV 1
ASSI { 139}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HN ))
2.900 1.100 1.100 peak 139 spectrum 3 weight 0.11000E+01 volume 0.15994E-02 ppm1 8.148 ppm2 8.364 CV 1
ASSI { 141}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
3.000 1.100 1.100 peak 141 spectrum 3 weight 0.11000E+01 volume 0.15236E-02 ppm1 8.149 ppm2 7.553 CV 1
ASSI { 142}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 49 and name HA ))
4.000 2.000 2.000 peak 142 spectrum 3 weight 0.11000E+01 volume 0.38374E-03 ppm1 8.147 ppm2 4.366 CV 1
ASSI { 143}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA ))
3.700 3.700 2.300 peak 143 spectrum 3 weight 0.11000E+01 volume 0.67774E-03 ppm1 8.149 ppm2 4.115 CV 1
ASSI { 144}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HA ))
3.100 3.100 2.900 peak 144 spectrum 3 weight 0.11000E+01 volume 0.16841E-02 ppm1 8.148 ppm2 3.563 CV 1
ASSI { 145}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 50 and name HA ))
3.700 3.700 2.300 peak 145 spectrum 3 weight 0.11000E+01 volume 0.54034E-03 ppm1 8.149 ppm2 3.230 CV 1
ASSI { 146}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB1 ))
3.000 3.000 3.000 peak 146 spectrum 3 weight 0.11000E+01 volume 0.13455E-02 ppm1 8.147 ppm2 2.016 CV 1
ASSI { 151}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB ))
2.700 0.900 0.900 peak 151 spectrum 3 weight 0.11000E+01 volume 0.24823E-02 ppm1 8.146 ppm2 1.685 CV 1
ASSI { 154}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 95 and name HN ))
3.800 1.800 1.800 peak 154 spectrum 3 weight 0.11000E+01 volume 0.11286E-02 ppm1 8.120 ppm2 7.912 CV 1
ASSI { 159}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 96 and name HB1 ))
3.000 3.000 3.000 peak 159 spectrum 3 weight 0.11000E+01 volume 0.46650E-03 ppm1 8.115 ppm2 2.041 CV 1
ASSI { 160}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HB1 ))
2.600 0.800 0.800 peak 160 spectrum 3 weight 0.11000E+01 volume 0.84576E-02 ppm1 8.115 ppm2 1.796 CV 1
ASSI { 165}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 89 and name HA ))
3.200 3.200 2.800 peak 165 spectrum 3 weight 0.11000E+01 volume 0.15490E-02 ppm1 7.999 ppm2 3.981 CV 1
ASSI { 170}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HB ))
2.900 1.100 1.100 peak 170 spectrum 3 weight 0.11000E+01 volume 0.22459E-02 ppm1 8.003 ppm2 2.007 CV 1
ASSI { 171}
(( segid " " and resid 92 and name HN ))
( segid " " and resid 91 and name HG2%)
3.000 3.000 3.000 peak 171 spectrum 3 weight 0.11000E+01 volume 0.27484E-02 ppm1 8.003 ppm2 0.838 CV 1
ASSI { 172}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HG12))
4.500 2.500 1.500 peak 172 spectrum 3 weight 0.11000E+01 volume 0.48559E-03 ppm1 8.004 ppm2 1.213 CV 1
ASSI { 174}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB1 ))
2.500 0.800 0.800 peak 174 spectrum 3 weight 0.11000E+01 volume 0.52621E-02 ppm1 8.004 ppm2 1.663 CV 1
OR { 174}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB2 ))
ASSI { 175}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HN ))
3.200 3.200 2.800 peak 175 spectrum 3 weight 0.11000E+01 volume 0.11074E-02 ppm1 8.004 ppm2 7.731 CV 1
ASSI { 180}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA1 ))
4.100 2.100 1.900 peak 180 spectrum 3 weight 0.11000E+01 volume 0.57559E-03 ppm1 8.394 ppm2 3.908 CV 1
ASSI { 181}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 34 and name HE22))
1.700 0.300 0.500 peak 181 spectrum 3 weight 0.11000E+01 volume 0.26115E-01 ppm1 7.375 ppm2 6.968 CV 1
ASSI { 183}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 34 and name HA ))
4.400 4.400 1.600 peak 183 spectrum 3 weight 0.11000E+01 volume 0.55313E-03 ppm1 7.378 ppm2 4.388 CV 1
ASSI { 187}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 34 and name HB1 ))
3.300 1.300 1.300 peak 187 spectrum 3 weight 0.11000E+01 volume 0.66965E-03 ppm1 7.369 ppm2 2.163 CV 1
ASSI { 188}
(( segid " " and resid 34 and name HE21))
(( segid " " and resid 34 and name HB2 ))
4.000 2.000 2.000 peak 188 spectrum 3 weight 0.11000E+01 volume 0.66211E-03 ppm1 7.369 ppm2 1.902 CV 1
ASSI { 191}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 25 and name HN ))
3.900 1.900 1.900 peak 191 spectrum 3 weight 0.11000E+01 volume 0.83777E-03 ppm1 7.375 ppm2 8.118 CV 1
ASSI { 192}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HN ))
4.300 2.300 1.700 peak 192 spectrum 3 weight 0.11000E+01 volume 0.35837E-03 ppm1 7.375 ppm2 8.717 CV 1
ASSI { 193}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 193 spectrum 3 weight 0.11000E+01 volume 0.24353E-02 ppm1 7.374 ppm2 9.309 CV 1
ASSI { 194}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 24 and name HD% )
3.700 3.700 2.300 peak 194 spectrum 3 weight 0.11000E+01 volume 0.13095E-02 ppm1 7.376 ppm2 6.993 CV 1
ASSI { 196}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 196 spectrum 3 weight 0.11000E+01 volume 0.31434E-02 ppm1 7.372 ppm2 4.239 CV 1
ASSI { 197}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
2.900 2.900 3.100 peak 197 spectrum 3 weight 0.11000E+01 volume 0.43826E-02 ppm1 7.374 ppm2 3.951 CV 1
ASSI { 198}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HB1 ))
4.400 4.400 1.600 peak 198 spectrum 3 weight 0.11000E+01 volume 0.40306E-03 ppm1 7.376 ppm2 3.098 CV 1
ASSI { 203}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
3.300 3.300 2.700 peak 203 spectrum 3 weight 0.11000E+01 volume 0.13939E-02 ppm1 7.374 ppm2 3.818 CV 1
ASSI { 204}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.700 2.700 3.300 peak 204 spectrum 3 weight 0.11000E+01 volume 0.30373E-02 ppm1 7.375 ppm2 7.180 CV 1
ASSI { 207}
(( segid " " and resid 16 and name HD21))
(( segid " " and resid 16 and name HD22))
1.800 0.400 0.400 peak 207 spectrum 3 weight 0.11000E+01 volume 0.11238E-01 ppm1 7.583 ppm2 6.861 CV 1
ASSI { 209}
(( segid " " and resid 16 and name HD21))
(( segid " " and resid 16 and name HB1 ))
3.300 1.300 1.300 peak 209 spectrum 3 weight 0.11000E+01 volume 0.11768E-02 ppm1 7.586 ppm2 2.800 CV 1
ASSI { 210}
(( segid " " and resid 16 and name HD21))
(( segid " " and resid 16 and name HB2 ))
3.900 3.900 2.100 peak 210 spectrum 3 weight 0.11000E+01 volume 0.91371E-03 ppm1 7.579 ppm2 2.553 CV 1
ASSI { 213}
(( segid " " and resid 16 and name HD22))
(( segid " " and resid 16 and name HB1 ))
4.100 2.100 1.900 peak 213 spectrum 3 weight 0.11000E+01 volume 0.10758E-02 ppm1 6.864 ppm2 2.810 CV 1
ASSI { 214}
(( segid " " and resid 16 and name HD22))
(( segid " " and resid 16 and name HB2 ))
4.400 4.400 1.600 peak 214 spectrum 3 weight 0.11000E+01 volume 0.77557E-03 ppm1 6.861 ppm2 2.545 CV 1
ASSI { 219}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 34 and name HA ))
5.200 5.200 0.800 peak 219 spectrum 3 weight 0.11000E+01 volume 0.54127E-03 ppm1 6.976 ppm2 4.383 CV 1
ASSI { 221}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 34 and name HG1 ))
4.400 2.400 1.600 peak 221 spectrum 3 weight 0.11000E+01 volume 0.47899E-03 ppm1 6.977 ppm2 2.494 CV 1
ASSI { 222}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 34 and name HG2 ))
4.500 2.600 1.500 peak 222 spectrum 3 weight 0.11000E+01 volume 0.36435E-03 ppm1 6.976 ppm2 2.249 CV 1
ASSI { 223}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 34 and name HB2 ))
5.400 3.600 0.600 peak 223 spectrum 3 weight 0.11000E+01 volume 0.38586E-03 ppm1 6.976 ppm2 1.932 CV 1
ASSI { 224}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 34 and name HB1 ))
4.700 2.800 1.300 peak 224 spectrum 3 weight 0.11000E+01 volume 0.32502E-03 ppm1 6.979 ppm2 2.142 CV 1
ASSI { 228}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HA ))
3.000 3.000 3.000 peak 228 spectrum 3 weight 0.11000E+01 volume 0.22302E-02 ppm1 8.211 ppm2 4.289 CV 1
ASSI { 229}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HA1 ))
2.500 0.800 0.800 peak 229 spectrum 3 weight 0.11000E+01 volume 0.77072E-02 ppm1 8.211 ppm2 3.914 CV 1
ASSI { 231}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HB1 ))
3.500 1.500 1.500 peak 231 spectrum 3 weight 0.11000E+01 volume 0.13930E-02 ppm1 8.212 ppm2 1.676 CV 1
ASSI { 250}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA1 ))
2.900 1.000 1.000 peak 250 spectrum 3 weight 0.11000E+01 volume 0.20085E-02 ppm1 8.753 ppm2 3.914 CV 1
ASSI { 252}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 72 and name HG2%)
5.200 5.200 0.800 peak 252 spectrum 3 weight 0.11000E+01 volume 0.33110E-03 ppm1 8.755 ppm2 1.377 CV 1
ASSI { 253}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 51 and name HG2%)
4.700 2.800 1.300 peak 253 spectrum 3 weight 0.11000E+01 volume 0.35764E-03 ppm1 7.377 ppm2 0.916 CV 1
ASSI { 254}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 51 and name HG1%)
5.000 5.000 1.000 peak 254 spectrum 3 weight 0.11000E+01 volume 0.32554E-03 ppm1 7.375 ppm2 1.156 CV 1
ASSI { 256}
(( segid " " and resid 18 and name HD21))
(( segid " " and resid 18 and name HD22))
1.700 0.300 0.500 peak 256 spectrum 3 weight 0.11000E+01 volume 0.13566E-01 ppm1 7.565 ppm2 7.399 CV 1
ASSI { 261}
(( segid " " and resid 18 and name HD21))
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 261 spectrum 3 weight 0.11000E+01 volume 0.17549E-02 ppm1 7.559 ppm2 4.390 CV 1
ASSI { 264}
(( segid " " and resid 18 and name HD21))
(( segid " " and resid 18 and name HB1 ))
3.600 1.600 1.600 peak 264 spectrum 3 weight 0.11000E+01 volume 0.69997E-03 ppm1 7.564 ppm2 3.131 CV 1
ASSI { 265}
(( segid " " and resid 18 and name HD21))
(( segid " " and resid 18 and name HB2 ))
3.900 3.900 2.100 peak 265 spectrum 3 weight 0.11000E+01 volume 0.83222E-03 ppm1 7.561 ppm2 2.906 CV 1
ASSI { 268}
(( segid " " and resid 18 and name HD21))
( segid " " and resid 55 and name HG2%)
3.400 1.500 1.500 peak 268 spectrum 3 weight 0.11000E+01 volume 0.10126E-02 ppm1 7.566 ppm2 1.384 CV 1
ASSI { 269}
(( segid " " and resid 18 and name HD21))
( segid " " and resid 51 and name HG1%)
3.000 1.100 1.100 peak 269 spectrum 3 weight 0.11000E+01 volume 0.97003E-03 ppm1 7.566 ppm2 1.160 CV 1
ASSI { 270}
(( segid " " and resid 18 and name HD22))
( segid " " and resid 51 and name HG1%)
4.400 2.500 1.600 peak 270 spectrum 3 weight 0.11000E+01 volume 0.71571E-03 ppm1 7.400 ppm2 1.153 CV 1
ASSI { 271}
(( segid " " and resid 18 and name HD22))
( segid " " and resid 55 and name HG2%)
3.100 1.200 1.200 peak 271 spectrum 3 weight 0.11000E+01 volume 0.94138E-03 ppm1 7.405 ppm2 1.380 CV 1
ASSI { 272}
(( segid " " and resid 18 and name HD22))
(( segid " " and resid 18 and name HB2 ))
4.800 4.800 1.200 peak 272 spectrum 3 weight 0.11000E+01 volume 0.35942E-03 ppm1 7.405 ppm2 2.896 CV 1
ASSI { 273}
(( segid " " and resid 18 and name HD22))
(( segid " " and resid 18 and name HB1 ))
4.700 2.800 1.300 peak 273 spectrum 3 weight 0.11000E+01 volume 0.39131E-03 ppm1 7.404 ppm2 3.129 CV 1
ASSI { 275}
(( segid " " and resid 18 and name HD22))
(( segid " " and resid 18 and name HA ))
4.500 2.500 1.500 peak 275 spectrum 3 weight 0.11000E+01 volume 0.12860E-02 ppm1 7.400 ppm2 4.390 CV 1
ASSI { 278}
(( segid " " and resid 18 and name HD22))
(( segid " " and resid 18 and name HN ))
4.600 2.600 1.400 peak 278 spectrum 3 weight 0.11000E+01 volume 0.29817E-03 ppm1 7.406 ppm2 8.874 CV 1
ASSI { 280}
(( segid " " and resid 96 and name HE21))
(( segid " " and resid 96 and name HE22))
1.700 0.400 0.500 peak 280 spectrum 3 weight 0.11000E+01 volume 0.28532E-01 ppm1 7.456 ppm2 6.817 CV 1
ASSI { 283}
(( segid " " and resid 96 and name HE21))
(( segid " " and resid 96 and name HG1 ))
3.200 1.300 1.300 peak 283 spectrum 3 weight 0.11000E+01 volume 0.14554E-02 ppm1 7.456 ppm2 2.423 CV 1
ASSI { 285}
(( segid " " and resid 96 and name HE21))
(( segid " " and resid 96 and name HB1 ))
4.100 4.100 1.900 peak 285 spectrum 3 weight 0.11000E+01 volume 0.45098E-03 ppm1 7.454 ppm2 1.953 CV 1
ASSI { 288}
(( segid " " and resid 96 and name HE21))
(( segid " " and resid 96 and name HA ))
4.800 2.800 1.200 peak 288 spectrum 3 weight 0.11000E+01 volume 0.23115E-03 ppm1 7.457 ppm2 4.156 CV 1
ASSI { 292}
(( segid " " and resid 96 and name HE22))
(( segid " " and resid 96 and name HG1 ))
4.500 4.500 1.500 peak 292 spectrum 3 weight 0.11000E+01 volume 0.64824E-03 ppm1 6.839 ppm2 2.394 CV 1
ASSI { 294}
(( segid " " and resid 96 and name HE22))
(( segid " " and resid 96 and name HB1 ))
5.100 5.100 0.900 peak 294 spectrum 3 weight 0.11000E+01 volume 0.32450E-03 ppm1 6.820 ppm2 1.953 CV 1
ASSI { 302}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 27 and name HD22))
1.900 0.500 0.500 peak 302 spectrum 3 weight 0.11000E+01 volume 0.88249E-02 ppm1 7.749 ppm2 7.049 CV 1
ASSI { 304}
(( segid " " and resid 27 and name HD21))
(( segid " " and resid 27 and name HB2 ))
3.700 3.700 2.300 peak 304 spectrum 3 weight 0.11000E+01 volume 0.33278E-03 ppm1 7.745 ppm2 2.834 CV 1
ASSI { 310}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 27 and name HD21))
2.100 2.100 3.900 peak 310 spectrum 3 weight 0.11000E+01 volume 0.63108E-02 ppm1 7.033 ppm2 7.770 CV 1
OR { 310}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 27 and name HN ))
ASSI { 313}
(( segid " " and resid 27 and name HD22))
(( segid " " and resid 27 and name HB2 ))
5.000 5.000 1.000 peak 313 spectrum 3 weight 0.11000E+01 volume 0.32271E-03 ppm1 7.036 ppm2 2.853 CV 1
ASSI { 319}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HD22))
1.600 0.300 0.600 peak 319 spectrum 3 weight 0.11000E+01 volume 0.16430E-01 ppm1 8.221 ppm2 6.933 CV 1
ASSI { 320}
(( segid " " and resid 42 and name HD21))
( segid " " and resid 38 and name HD% )
3.500 3.500 2.500 peak 320 spectrum 3 weight 0.11000E+01 volume 0.31117E-03 ppm1 8.221 ppm2 7.142 CV 1
ASSI { 321}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 38 and name HN ))
5.000 3.200 1.000 peak 321 spectrum 3 weight 0.11000E+01 volume 0.33372E-03 ppm1 8.237 ppm2 7.770 CV 1
ASSI { 322}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 91 and name HN ))
3.800 1.800 1.800 peak 322 spectrum 3 weight 0.11000E+01 volume 0.56425E-03 ppm1 8.221 ppm2 8.026 CV 1
ASSI { 323}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 39 and name HN ))
3.100 3.100 2.900 peak 323 spectrum 3 weight 0.11000E+01 volume 0.71496E-03 ppm1 8.221 ppm2 8.444 CV 1
ASSI { 325}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HA ))
4.500 4.500 1.500 peak 325 spectrum 3 weight 0.11000E+01 volume 0.65465E-03 ppm1 8.221 ppm2 4.585 CV 1
ASSI { 326}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HB1 ))
3.100 1.200 1.200 peak 326 spectrum 3 weight 0.11000E+01 volume 0.81480E-03 ppm1 8.221 ppm2 3.051 CV 1
ASSI { 327}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 39 and name HB2 ))
3.800 1.800 1.800 peak 327 spectrum 3 weight 0.11000E+01 volume 0.49566E-03 ppm1 8.237 ppm2 2.725 CV 1
ASSI { 329}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 41 and name HG1 ))
4.300 4.300 1.700 peak 329 spectrum 3 weight 0.11000E+01 volume 0.27950E-03 ppm1 8.221 ppm2 2.260 CV 1
ASSI { 330}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 91 and name HB ))
4.400 2.400 1.600 peak 330 spectrum 3 weight 0.11000E+01 volume 0.32774E-03 ppm1 8.229 ppm2 2.013 CV 1
ASSI { 331}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 90 and name HG11))
4.700 4.700 1.300 peak 331 spectrum 3 weight 0.11000E+01 volume 0.26818E-03 ppm1 8.227 ppm2 1.433 CV 1
ASSI { 332}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 91 and name HG12))
4.200 2.200 1.800 peak 332 spectrum 3 weight 0.11000E+01 volume 0.25517E-03 ppm1 8.226 ppm2 1.206 CV 1
ASSI { 335}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 91 and name HN ))
4.000 2.000 2.000 peak 335 spectrum 3 weight 0.11000E+01 volume 0.52050E-03 ppm1 6.946 ppm2 8.018 CV 1
ASSI { 336}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 40 and name HN ))
3.000 3.000 3.000 peak 336 spectrum 3 weight 0.11000E+01 volume 0.51916E-03 ppm1 6.946 ppm2 8.471 CV 1
ASSI { 339}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 42 and name HA ))
4.700 2.800 1.300 peak 339 spectrum 3 weight 0.11000E+01 volume 0.58909E-03 ppm1 6.945 ppm2 4.561 CV 1
ASSI { 342}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 39 and name HB2 ))
3.500 3.500 2.500 peak 342 spectrum 3 weight 0.11000E+01 volume 0.58856E-03 ppm1 6.946 ppm2 2.722 CV 1
ASSI { 344}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 91 and name HB ))
4.800 4.800 1.200 peak 344 spectrum 3 weight 0.11000E+01 volume 0.23807E-03 ppm1 6.943 ppm2 2.038 CV 1
ASSI { 345}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 90 and name HG11))
5.000 5.000 1.000 peak 345 spectrum 3 weight 0.11000E+01 volume 0.30079E-03 ppm1 6.952 ppm2 1.431 CV 1
ASSI { 346}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 42 and name HN ))
4.100 2.100 1.900 peak 346 spectrum 3 weight 0.11000E+01 volume 0.64910E-03 ppm1 6.943 ppm2 8.567 CV 1
ASSI { 347}
(( segid " " and resid 42 and name HD22))
( segid " " and resid 38 and name HD% )
4.600 4.600 1.400 peak 347 spectrum 3 weight 0.11000E+01 volume 0.39131E-03 ppm1 6.945 ppm2 7.152 CV 1
ASSI { 349}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
2.600 0.800 0.800 peak 349 spectrum 3 weight 0.11000E+01 volume 0.27185E-02 ppm1 8.506 ppm2 8.877 CV 1
ASSI { 352}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 32 and name HN ))
3.600 3.600 2.400 peak 352 spectrum 3 weight 0.11000E+01 volume 0.41659E-03 ppm1 8.506 ppm2 7.604 CV 1
ASSI { 354}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 38 and name HD% )
3.900 3.900 2.100 peak 354 spectrum 3 weight 0.11000E+01 volume 0.45758E-03 ppm1 8.507 ppm2 7.144 CV 1
ASSI { 356}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
3.300 1.300 1.300 peak 356 spectrum 3 weight 0.11000E+01 volume 0.15258E-02 ppm1 8.506 ppm2 4.380 CV 1
ASSI { 357}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB1 ))
2.500 0.800 0.800 peak 357 spectrum 3 weight 0.11000E+01 volume 0.17992E-02 ppm1 8.506 ppm2 4.116 CV 1
ASSI { 358}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.400 2.400 3.600 peak 358 spectrum 3 weight 0.11000E+01 volume 0.29438E-02 ppm1 8.507 ppm2 3.743 CV 1
ASSI { 360}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 32 and name HB1 ))
4.200 4.200 1.800 peak 360 spectrum 3 weight 0.11000E+01 volume 0.61008E-03 ppm1 8.508 ppm2 3.088 CV 1
ASSI { 361}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 32 and name HB2 ))
4.100 4.100 1.900 peak 361 spectrum 3 weight 0.11000E+01 volume 0.45243E-03 ppm1 8.505 ppm2 2.723 CV 1
ASSI { 362}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HG1 ))
4.400 4.400 1.600 peak 362 spectrum 3 weight 0.11000E+01 volume 0.31233E-03 ppm1 8.506 ppm2 2.449 CV 1
ASSI { 363}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HG2 ))
3.000 3.000 3.000 peak 363 spectrum 3 weight 0.11000E+01 volume 0.49063E-03 ppm1 8.503 ppm2 2.208 CV 1
ASSI { 364}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB1 ))
4.400 2.500 1.600 peak 364 spectrum 3 weight 0.11000E+01 volume 0.58114E-03 ppm1 8.514 ppm2 2.144 CV 1
ASSI { 365}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.400 1.400 peak 365 spectrum 3 weight 0.11000E+01 volume 0.12719E-02 ppm1 8.506 ppm2 1.923 CV 1
ASSI { 366}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 43 and name HG11))
4.500 4.500 1.500 peak 366 spectrum 3 weight 0.11000E+01 volume 0.12039E-02 ppm1 8.506 ppm2 1.528 CV 1
ASSI { 367}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 43 and name HG12))
5.100 3.200 0.900 peak 367 spectrum 3 weight 0.11000E+01 volume 0.35124E-03 ppm1 8.506 ppm2 1.177 CV 1
ASSI { 368}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 43 and name HD1%)
4.600 4.600 1.400 peak 368 spectrum 3 weight 0.11000E+01 volume 0.68938E-03 ppm1 8.506 ppm2 0.782 CV 1
ASSI { 369}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 32 and name HA ))
4.600 4.600 1.400 peak 369 spectrum 3 weight 0.11000E+01 volume 0.35449E-03 ppm1 8.507 ppm2 4.863 CV 1
ASSI { 372}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.500 2.500 3.500 peak 372 spectrum 3 weight 0.11000E+01 volume 0.32607E-02 ppm1 7.170 ppm2 8.133 CV 1
ASSI { 373}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HD% )
3.100 3.100 2.900 peak 373 spectrum 3 weight 0.11000E+01 volume 0.12126E-02 ppm1 7.169 ppm2 6.973 CV 1
ASSI { 374}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.200 1.300 1.300 peak 374 spectrum 3 weight 0.11000E+01 volume 0.11925E-02 ppm1 7.169 ppm2 5.201 CV 1
ASSI { 375}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
3.900 3.900 2.100 peak 375 spectrum 3 weight 0.11000E+01 volume 0.56037E-03 ppm1 7.168 ppm2 4.208 CV 1
ASSI { 378}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 26 and name HD2 ))
3.800 1.800 1.800 peak 378 spectrum 3 weight 0.11000E+01 volume 0.57189E-03 ppm1 7.169 ppm2 3.321 CV 1
ASSI { 379}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.500 1.600 1.600 peak 379 spectrum 3 weight 0.11000E+01 volume 0.66890E-03 ppm1 7.169 ppm2 3.108 CV 1
ASSI { 380}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB2 ))
4.200 2.200 1.800 peak 380 spectrum 3 weight 0.11000E+01 volume 0.58051E-03 ppm1 7.168 ppm2 2.884 CV 1
ASSI { 381}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HB ))
4.400 2.400 1.600 peak 381 spectrum 3 weight 0.11000E+01 volume 0.79738E-03 ppm1 7.169 ppm2 1.869 CV 1
ASSI { 385}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 25 and name HG2%)
4.300 2.300 1.700 peak 385 spectrum 3 weight 0.11000E+01 volume 0.83904E-03 ppm1 7.168 ppm2 0.673 CV 1
ASSI { 387}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HN ))
2.600 0.900 0.900 peak 387 spectrum 3 weight 0.11000E+01 volume 0.64007E-02 ppm1 7.549 ppm2 8.186 CV 1
ASSI { 390}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
2.600 0.800 0.800 peak 390 spectrum 3 weight 0.11000E+01 volume 0.37299E-02 ppm1 7.551 ppm2 4.780 CV 1
ASSI { 392}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
3.100 1.200 1.200 peak 392 spectrum 3 weight 0.11000E+01 volume 0.32631E-02 ppm1 7.549 ppm2 4.288 CV 1
ASSI { 393}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB1 ))
3.400 1.500 1.500 peak 393 spectrum 3 weight 0.11000E+01 volume 0.11293E-02 ppm1 7.552 ppm2 2.619 CV 1
ASSI { 395}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HB1 ))
3.400 3.400 2.600 peak 395 spectrum 3 weight 0.11000E+01 volume 0.36735E-02 ppm1 7.548 ppm2 2.126 CV 1
ASSI { 396}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HG1 ))
4.000 4.000 2.000 peak 396 spectrum 3 weight 0.11000E+01 volume 0.13687E-02 ppm1 7.549 ppm2 1.868 CV 1
ASSI { 397}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HG2 ))
3.700 3.700 2.300 peak 397 spectrum 3 weight 0.11000E+01 volume 0.93542E-03 ppm1 7.551 ppm2 1.633 CV 1
ASSI { 400}
(( segid " " and resid 45 and name HE22))
(( segid " " and resid 45 and name HE21))
1.800 0.400 0.400 peak 400 spectrum 3 weight 0.11000E+01 volume 0.18295E-01 ppm1 6.887 ppm2 7.845 CV 1
ASSI { 403}
(( segid " " and resid 45 and name HE21))
(( segid " " and resid 45 and name HG2 ))
2.900 2.900 3.100 peak 403 spectrum 3 weight 0.11000E+01 volume 0.21367E-02 ppm1 7.838 ppm2 2.481 CV 1
OR { 403}
(( segid " " and resid 45 and name HE21))
(( segid " " and resid 45 and name HG1 ))
ASSI { 404}
(( segid " " and resid 45 and name HE21))
(( segid " " and resid 45 and name HB2 ))
4.300 4.300 1.700 peak 404 spectrum 3 weight 0.11000E+01 volume 0.28527E-03 ppm1 7.847 ppm2 2.225 CV 1
OR { 404}
(( segid " " and resid 45 and name HE21))
(( segid " " and resid 45 and name HB1 ))
ASSI { 407}
(( segid " " and resid 45 and name HE22))
(( segid " " and resid 45 and name HG2 ))
3.800 3.800 2.200 peak 407 spectrum 3 weight 0.11000E+01 volume 0.17209E-02 ppm1 6.890 ppm2 2.472 CV 1
OR { 407}
(( segid " " and resid 45 and name HE22))
(( segid " " and resid 45 and name HG1 ))
ASSI { 408}
(( segid " " and resid 45 and name HE22))
(( segid " " and resid 45 and name HB1 ))
4.900 3.000 1.100 peak 408 spectrum 3 weight 0.11000E+01 volume 0.32114E-03 ppm1 6.890 ppm2 2.201 CV 1
OR { 408}
(( segid " " and resid 45 and name HE22))
(( segid " " and resid 45 and name HB2 ))
ASSI { 413}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 35 and name HN ))
4.000 2.000 2.000 peak 413 spectrum 3 weight 0.11000E+01 volume 0.37829E-03 ppm1 7.705 ppm2 8.506 CV 1
ASSI { 415}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 38 and name HD% )
4.500 2.600 1.500 peak 415 spectrum 3 weight 0.11000E+01 volume 0.11079E-02 ppm1 7.705 ppm2 7.114 CV 1
ASSI { 418}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 35 and name HA ))
4.300 2.300 1.700 peak 418 spectrum 3 weight 0.11000E+01 volume 0.67323E-03 ppm1 7.705 ppm2 3.714 CV 1
ASSI { 419}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HB1 ))
6.000 6.000 0.000 peak 419 spectrum 3 weight 0.11000E+01 volume 0.37967E-03 ppm1 7.704 ppm2 3.239 CV 1
ASSI { 420}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HB2 ))
5.200 3.400 0.800 peak 420 spectrum 3 weight 0.11000E+01 volume 0.26922E-03 ppm1 7.705 ppm2 3.044 CV 1
ASSI { 422}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 43 and name HD1%)
5.900 4.400 0.100 peak 422 spectrum 3 weight 0.11000E+01 volume 0.32260E-03 ppm1 7.707 ppm2 0.734 CV 1
ASSI { 423}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 43 and name HG11))
5.800 5.800 0.200 peak 423 spectrum 3 weight 0.11000E+01 volume 0.95638E-03 ppm1 7.708 ppm2 1.552 CV 1
ASSI { 424}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB1 ))
2.800 2.800 3.200 peak 424 spectrum 3 weight 0.11000E+01 volume 0.34606E-02 ppm1 7.705 ppm2 1.857 CV 1
OR { 424}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
ASSI { 426}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HG1 ))
3.000 1.100 1.100 peak 426 spectrum 3 weight 0.11000E+01 volume 0.20596E-02 ppm1 7.707 ppm2 2.246 CV 1
ASSI { 428}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 428 spectrum 3 weight 0.11000E+01 volume 0.30753E-02 ppm1 7.366 ppm2 7.621 CV 1
ASSI { 429}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
2.500 0.800 0.800 peak 429 spectrum 3 weight 0.11000E+01 volume 0.49767E-02 ppm1 7.367 ppm2 4.135 CV 1
ASSI { 430}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
3.600 3.600 2.400 peak 430 spectrum 3 weight 0.11000E+01 volume 0.88454E-03 ppm1 7.366 ppm2 3.940 CV 1
ASSI { 432}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HD1 ))
3.700 3.700 2.300 peak 432 spectrum 3 weight 0.11000E+01 volume 0.15105E-02 ppm1 7.366 ppm2 1.522 CV 1
ASSI { 433}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HB ))
3.000 3.000 3.000 peak 433 spectrum 3 weight 0.11000E+01 volume 0.45378E-02 ppm1 7.366 ppm2 1.825 CV 1
ASSI { 435}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 29 and name HG2%)
4.600 4.600 1.400 peak 435 spectrum 3 weight 0.11000E+01 volume 0.25045E-03 ppm1 7.363 ppm2 0.733 CV 1
ASSI { 436}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 27 and name HA ))
3.300 3.300 2.700 peak 436 spectrum 3 weight 0.11000E+01 volume 0.30509E-03 ppm1 7.367 ppm2 4.404 CV 1
ASSI { 437}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HN ))
2.000 0.500 0.500 peak 437 spectrum 3 weight 0.11000E+01 volume 0.21732E-01 ppm1 8.626 ppm2 8.618 CV 1
ASSI { 440}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 66 and name HN ))
4.300 2.300 1.700 peak 440 spectrum 3 weight 0.11000E+01 volume 0.72179E-03 ppm1 8.627 ppm2 8.389 CV 1
ASSI { 441}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
2.900 1.100 1.100 peak 441 spectrum 3 weight 0.11000E+01 volume 0.26598E-02 ppm1 8.626 ppm2 4.610 CV 1
ASSI { 442}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HA ))
4.100 2.100 1.900 peak 442 spectrum 3 weight 0.11000E+01 volume 0.58249E-03 ppm1 8.629 ppm2 4.284 CV 1
ASSI { 444}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB2 ))
3.600 1.600 1.600 peak 444 spectrum 3 weight 0.11000E+01 volume 0.15893E-02 ppm1 8.625 ppm2 4.031 CV 1
OR { 444}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB1 ))
ASSI { 445}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB2 ))
3.200 1.300 1.300 peak 445 spectrum 3 weight 0.11000E+01 volume 0.21192E-02 ppm1 8.627 ppm2 3.818 CV 1
ASSI { 446}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HB1 ))
4.700 2.800 1.300 peak 446 spectrum 3 weight 0.11000E+01 volume 0.43912E-03 ppm1 8.624 ppm2 1.990 CV 1
ASSI { 447}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HB2 ))
3.800 1.800 1.800 peak 447 spectrum 3 weight 0.11000E+01 volume 0.82950E-03 ppm1 8.624 ppm2 1.748 CV 1
ASSI { 448}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 59 and name HD2%)
2.800 2.800 3.200 peak 448 spectrum 3 weight 0.11000E+01 volume 0.82771E-03 ppm1 8.621 ppm2 0.794 CV 1
ASSI { 452}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
3.500 3.500 2.500 peak 452 spectrum 3 weight 0.11000E+01 volume 0.10886E-02 ppm1 8.427 ppm2 4.215 CV 1
ASSI { 453}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB1 ))
3.400 3.400 2.600 peak 453 spectrum 3 weight 0.11000E+01 volume 0.19459E-02 ppm1 8.430 ppm2 3.947 CV 1
ASSI { 461}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HN ))
3.700 3.700 2.300 peak 461 spectrum 3 weight 0.11000E+01 volume 0.61952E-03 ppm1 8.237 ppm2 8.439 CV 1
ASSI { 464}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB ))
3.900 1.900 1.900 peak 464 spectrum 3 weight 0.11000E+01 volume 0.77012E-03 ppm1 8.237 ppm2 4.158 CV 1
ASSI { 467}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HG1 ))
3.700 3.700 2.300 peak 467 spectrum 3 weight 0.11000E+01 volume 0.83998E-03 ppm1 8.236 ppm2 1.403 CV 1
ASSI { 468}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 6 and name HG2%)
3.300 3.300 2.700 peak 468 spectrum 3 weight 0.11000E+01 volume 0.11490E-02 ppm1 8.237 ppm2 1.178 CV 1
ASSI { 471}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HA ))
4.400 2.400 1.600 peak 471 spectrum 3 weight 0.11000E+01 volume 0.43513E-03 ppm1 8.869 ppm2 4.909 CV 1
ASSI { 473}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HN ))
4.600 4.600 1.400 peak 473 spectrum 3 weight 0.11000E+01 volume 0.35764E-03 ppm1 8.867 ppm2 7.599 CV 1
ASSI { 477}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HD1 ))
4.200 2.200 1.800 peak 477 spectrum 3 weight 0.11000E+01 volume 0.72745E-03 ppm1 8.870 ppm2 4.026 CV 1
ASSI { 479}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HB2 ))
4.400 4.400 1.600 peak 479 spectrum 3 weight 0.11000E+01 volume 0.53456E-03 ppm1 8.870 ppm2 2.721 CV 1
ASSI { 482}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.400 1.400 peak 482 spectrum 3 weight 0.11000E+01 volume 0.24686E-02 ppm1 8.870 ppm2 1.916 CV 1
ASSI { 483}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 29 and name HG11))
6.000 6.000 0.000 peak 483 spectrum 3 weight 0.11000E+01 volume 0.32240E-03 ppm1 8.866 ppm2 1.708 CV 1
ASSI { 484}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 29 and name HG2%)
5.300 5.300 0.700 peak 484 spectrum 3 weight 0.11000E+01 volume 0.40022E-03 ppm1 8.868 ppm2 0.802 CV 1
ASSI { 488}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HN ))
2.600 0.800 0.800 peak 488 spectrum 3 weight 0.11000E+01 volume 0.45173E-02 ppm1 7.809 ppm2 7.256 CV 1
ASSI { 490}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
2.900 2.900 3.100 peak 490 spectrum 3 weight 0.11000E+01 volume 0.27396E-02 ppm1 7.806 ppm2 4.554 CV 1
ASSI { 494}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HE1 ))
2.600 2.600 3.400 peak 494 spectrum 3 weight 0.11000E+01 volume 0.10774E-02 ppm1 7.800 ppm2 2.812 CV 1
ASSI { 495}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.100 1.200 1.200 peak 495 spectrum 3 weight 0.11000E+01 volume 0.13310E-02 ppm1 7.803 ppm2 2.636 CV 1
ASSI { 497}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB1 ))
2.700 0.900 0.900 peak 497 spectrum 3 weight 0.11000E+01 volume 0.40149E-02 ppm1 7.806 ppm2 1.863 CV 1
ASSI { 502}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 88 and name HN ))
2.800 1.000 1.000 peak 502 spectrum 3 weight 0.11000E+01 volume 0.20337E-02 ppm1 8.686 ppm2 7.708 CV 1
ASSI { 503}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 89 and name HN ))
4.100 2.100 1.900 peak 503 spectrum 3 weight 0.11000E+01 volume 0.41290E-03 ppm1 8.686 ppm2 7.482 CV 1
ASSI { 504}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 86 and name HD% )
3.700 1.700 1.700 peak 504 spectrum 3 weight 0.11000E+01 volume 0.11503E-02 ppm1 8.686 ppm2 6.771 CV 1
ASSI { 505}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
3.100 1.200 1.200 peak 505 spectrum 3 weight 0.11000E+01 volume 0.14027E-02 ppm1 8.685 ppm2 4.095 CV 1
ASSI { 506}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HA ))
3.600 1.600 1.600 peak 506 spectrum 3 weight 0.11000E+01 volume 0.78440E-03 ppm1 8.687 ppm2 3.734 CV 1
ASSI { 507}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 83 and name HA ))
4.200 2.200 1.800 peak 507 spectrum 3 weight 0.11000E+01 volume 0.51528E-03 ppm1 8.686 ppm2 3.249 CV 1
ASSI { 508}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB1 ))
2.600 2.600 3.400 peak 508 spectrum 3 weight 0.11000E+01 volume 0.21236E-02 ppm1 8.687 ppm2 2.752 CV 1
ASSI { 509}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HG2 ))
3.800 1.800 1.800 peak 509 spectrum 3 weight 0.11000E+01 volume 0.15502E-02 ppm1 8.687 ppm2 2.492 CV 1
ASSI { 510}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB1 ))
3.800 3.800 2.200 peak 510 spectrum 3 weight 0.11000E+01 volume 0.17306E-02 ppm1 8.687 ppm2 2.165 CV 1
ASSI { 511}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB2 ))
2.900 1.100 1.100 peak 511 spectrum 3 weight 0.11000E+01 volume 0.15493E-02 ppm1 8.685 ppm2 1.883 CV 1
ASSI { 512}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 83 and name HD1%)
4.200 4.200 1.800 peak 512 spectrum 3 weight 0.11000E+01 volume 0.63358E-03 ppm1 8.684 ppm2 0.745 CV 1
ASSI { 515}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 99 and name HN ))
3.500 1.500 1.500 peak 515 spectrum 3 weight 0.11000E+01 volume 0.95313E-03 ppm1 8.318 ppm2 8.118 CV 1
ASSI { 516}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HN ))
3.600 1.600 1.600 peak 516 spectrum 3 weight 0.11000E+01 volume 0.71675E-03 ppm1 8.318 ppm2 7.979 CV 1
ASSI { 518}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 83 and name HG11))
3.700 1.700 1.700 peak 518 spectrum 3 weight 0.11000E+01 volume 0.82509E-03 ppm1 8.687 ppm2 2.076 CV 1
ASSI { 522}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 101 and name HA1 ))
4.700 4.700 1.300 peak 522 spectrum 3 weight 0.11000E+01 volume 0.37242E-03 ppm1 8.318 ppm2 3.878 CV 1
ASSI { 523}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HB1 ))
4.200 4.200 1.800 peak 523 spectrum 3 weight 0.11000E+01 volume 0.52501E-03 ppm1 8.318 ppm2 1.633 CV 1
ASSI { 541}
(( segid " " and resid 89 and name HN ))
( segid " " and resid 86 and name HD% )
4.400 2.400 1.600 peak 541 spectrum 3 weight 0.11000E+01 volume 0.34631E-03 ppm1 7.472 ppm2 6.770 CV 1
ASSI { 542}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 90 and name HN ))
2.700 2.700 3.300 peak 542 spectrum 3 weight 0.11000E+01 volume 0.22363E-02 ppm1 7.475 ppm2 7.647 CV 1
ASSI { 543}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 91 and name HN ))
4.300 2.300 1.700 peak 543 spectrum 3 weight 0.11000E+01 volume 0.46400E-03 ppm1 7.475 ppm2 8.000 CV 1
ASSI { 545}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 86 and name HA ))
3.200 1.300 1.300 peak 545 spectrum 3 weight 0.11000E+01 volume 0.12588E-02 ppm1 7.472 ppm2 3.725 CV 1
ASSI { 546}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA ))
2.700 2.700 3.300 peak 546 spectrum 3 weight 0.11000E+01 volume 0.37279E-02 ppm1 7.475 ppm2 3.964 CV 1
ASSI { 547}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 85 and name HA ))
3.800 3.800 2.200 peak 547 spectrum 3 weight 0.11000E+01 volume 0.82256E-03 ppm1 7.472 ppm2 4.167 CV 1
ASSI { 548}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HB1 ))
2.900 1.100 1.100 peak 548 spectrum 3 weight 0.11000E+01 volume 0.18510E-02 ppm1 7.475 ppm2 2.828 CV 1
ASSI { 551}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HB1 ))
2.500 2.500 3.500 peak 551 spectrum 3 weight 0.11000E+01 volume 0.69754E-02 ppm1 7.473 ppm2 1.736 CV 1
ASSI { 553}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HG1 ))
3.600 1.700 1.700 peak 553 spectrum 3 weight 0.11000E+01 volume 0.10842E-02 ppm1 7.473 ppm2 1.297 CV 1
ASSI { 559}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HN ))
2.800 1.000 1.000 peak 559 spectrum 3 weight 0.11000E+01 volume 0.26763E-02 ppm1 7.691 ppm2 7.245 CV 1
ASSI { 561}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 57 and name HA ))
3.300 1.400 1.400 peak 561 spectrum 3 weight 0.11000E+01 volume 0.12889E-02 ppm1 7.692 ppm2 3.734 CV 1
ASSI { 562}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD1%)
4.800 2.800 1.200 peak 562 spectrum 3 weight 0.11000E+01 volume 0.54452E-03 ppm1 7.692 ppm2 0.851 CV 1
OR { 562}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD2%)
ASSI { 563}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HG1 ))
4.600 2.700 1.400 peak 563 spectrum 3 weight 0.11000E+01 volume 0.63589E-03 ppm1 7.693 ppm2 1.147 CV 1
ASSI { 565}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB1 ))
2.400 0.700 0.700 peak 565 spectrum 3 weight 0.11000E+01 volume 0.57391E-02 ppm1 7.693 ppm2 1.791 CV 1
ASSI { 566}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HA ))
3.600 3.600 2.400 peak 566 spectrum 3 weight 0.11000E+01 volume 0.90480E-03 ppm1 7.472 ppm2 4.399 CV 1
ASSI { 574}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.900 1.000 1.000 peak 574 spectrum 3 weight 0.11000E+01 volume 0.24034E-02 ppm1 8.102 ppm2 3.920 CV 1
ASSI { 575}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.800 1.800 1.800 peak 575 spectrum 3 weight 0.11000E+01 volume 0.18402E-02 ppm1 8.100 ppm2 3.128 CV 1
ASSI { 576}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 576 spectrum 3 weight 0.11000E+01 volume 0.12270E-02 ppm1 8.100 ppm2 2.869 CV 1
ASSI { 577}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB1 ))
2.700 0.900 0.900 peak 577 spectrum 3 weight 0.11000E+01 volume 0.54724E-02 ppm1 8.102 ppm2 1.818 CV 1
ASSI { 583}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 79 and name HN ))
4.000 2.000 2.000 peak 583 spectrum 3 weight 0.11000E+01 volume 0.64261E-03 ppm1 8.144 ppm2 8.531 CV 1
ASSI { 584}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HN ))
2.900 1.000 1.000 peak 584 spectrum 3 weight 0.11000E+01 volume 0.17878E-02 ppm1 8.143 ppm2 8.807 CV 1
ASSI { 585}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 84 and name HN ))
3.700 3.700 2.300 peak 585 spectrum 3 weight 0.11000E+01 volume 0.84553E-03 ppm1 8.144 ppm2 8.322 CV 1
ASSI { 586}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA ))
3.500 1.500 1.500 peak 586 spectrum 3 weight 0.11000E+01 volume 0.85642E-03 ppm1 8.143 ppm2 3.785 CV 1
ASSI { 588}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HA ))
2.800 2.800 3.200 peak 588 spectrum 3 weight 0.11000E+01 volume 0.32788E-02 ppm1 8.146 ppm2 4.024 CV 1
ASSI { 591}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HD% )
4.400 2.400 1.600 peak 591 spectrum 3 weight 0.11000E+01 volume 0.10712E-02 ppm1 7.798 ppm2 6.636 CV 1
ASSI { 592}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 16 and name HD21))
2.900 2.900 3.100 peak 592 spectrum 3 weight 0.11000E+01 volume 0.61206E-03 ppm1 7.796 ppm2 7.579 CV 1
ASSI { 593}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 22 and name HN ))
4.300 2.300 1.700 peak 593 spectrum 3 weight 0.11000E+01 volume 0.34243E-03 ppm1 7.798 ppm2 9.306 CV 1
ASSI { 594}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HN ))
4.300 4.300 1.700 peak 594 spectrum 3 weight 0.11000E+01 volume 0.37295E-03 ppm1 7.797 ppm2 8.902 CV 1
ASSI { 596}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
2.900 1.000 1.000 peak 596 spectrum 3 weight 0.11000E+01 volume 0.19402E-02 ppm1 7.796 ppm2 8.093 CV 1
ASSI { 597}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 23 and name HN ))
3.900 1.900 1.900 peak 597 spectrum 3 weight 0.11000E+01 volume 0.71675E-03 ppm1 7.797 ppm2 7.350 CV 1
ASSI { 600}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.800 1.800 1.800 peak 600 spectrum 3 weight 0.11000E+01 volume 0.58763E-03 ppm1 7.798 ppm2 3.892 CV 1
ASSI { 601}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB1 ))
2.600 0.900 0.900 peak 601 spectrum 3 weight 0.11000E+01 volume 0.24431E-02 ppm1 7.797 ppm2 3.157 CV 1
ASSI { 602}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.900 1.000 1.000 peak 602 spectrum 3 weight 0.11000E+01 volume 0.31281E-02 ppm1 7.797 ppm2 2.924 CV 1
ASSI { 603}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB1 ))
2.800 1.000 1.000 peak 603 spectrum 3 weight 0.11000E+01 volume 0.26285E-02 ppm1 7.800 ppm2 1.833 CV 1
ASSI { 610}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 85 and name HN ))
4.300 2.300 1.700 peak 610 spectrum 3 weight 0.11000E+01 volume 0.40358E-03 ppm1 8.869 ppm2 7.749 CV 1
ASSI { 611}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 82 and name HD% )
3.400 3.400 2.600 peak 611 spectrum 3 weight 0.11000E+01 volume 0.84605E-03 ppm1 8.871 ppm2 7.092 CV 1
ASSI { 612}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HA ))
3.900 3.900 2.100 peak 612 spectrum 3 weight 0.11000E+01 volume 0.59162E-03 ppm1 8.869 ppm2 4.235 CV 1
ASSI { 613}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 80 and name HA ))
3.900 1.900 1.900 peak 613 spectrum 3 weight 0.11000E+01 volume 0.83158E-03 ppm1 8.871 ppm2 3.790 CV 1
ASSI { 617}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 79 and name HG1%)
3.200 3.200 2.800 peak 617 spectrum 3 weight 0.11000E+01 volume 0.37138E-03 ppm1 8.869 ppm2 1.378 CV 1
ASSI { 618}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HG12))
3.800 1.800 1.800 peak 618 spectrum 3 weight 0.11000E+01 volume 0.20008E-02 ppm1 8.871 ppm2 0.963 CV 1
ASSI { 621}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 79 and name HB ))
4.400 2.400 1.600 peak 621 spectrum 3 weight 0.11000E+01 volume 0.24164E-03 ppm1 8.865 ppm2 2.346 CV 1
ASSI { 623}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
4.200 2.200 1.800 peak 623 spectrum 3 weight 0.11000E+01 volume 0.45978E-03 ppm1 8.515 ppm2 8.708 CV 1
ASSI { 624}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HN ))
3.600 3.600 2.400 peak 624 spectrum 3 weight 0.11000E+01 volume 0.65130E-03 ppm1 8.515 ppm2 8.294 CV 1
ASSI { 625}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.600 2.600 3.400 peak 625 spectrum 3 weight 0.11000E+01 volume 0.53061E-02 ppm1 8.514 ppm2 4.167 CV 1
ASSI { 626}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.200 3.200 2.800 peak 626 spectrum 3 weight 0.11000E+01 volume 0.15339E-02 ppm1 8.514 ppm2 3.911 CV 1
ASSI { 637}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 38 and name HE% )
4.800 2.900 1.200 peak 637 spectrum 3 weight 0.11000E+01 volume 0.49879E-03 ppm1 8.416 ppm2 7.165 CV 1
ASSI { 640}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB1 ))
3.100 3.100 2.900 peak 640 spectrum 3 weight 0.11000E+01 volume 0.24722E-02 ppm1 8.416 ppm2 3.092 CV 1
ASSI { 641}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB1 ))
2.800 2.800 3.200 peak 641 spectrum 3 weight 0.11000E+01 volume 0.14413E-02 ppm1 8.416 ppm2 3.231 CV 1
ASSI { 642}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB2 ))
3.100 1.200 1.200 peak 642 spectrum 3 weight 0.11000E+01 volume 0.10939E-02 ppm1 8.416 ppm2 2.733 CV 1
ASSI { 664}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 57 and name HN ))
2.700 2.700 3.300 peak 664 spectrum 3 weight 0.11000E+01 volume 0.87343E-03 ppm1 7.264 ppm2 7.881 CV 1
ASSI { 666}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
2.800 1.000 1.000 peak 666 spectrum 3 weight 0.11000E+01 volume 0.29516E-02 ppm1 7.265 ppm2 4.063 CV 1
ASSI { 674}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 49 and name HA ))
3.300 1.300 1.300 peak 674 spectrum 3 weight 0.11000E+01 volume 0.13220E-02 ppm1 7.561 ppm2 4.388 CV 1
ASSI { 675}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA ))
2.900 1.000 1.000 peak 675 spectrum 3 weight 0.11000E+01 volume 0.23685E-02 ppm1 7.561 ppm2 4.093 CV 1
ASSI { 676}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
3.700 1.700 1.700 peak 676 spectrum 3 weight 0.11000E+01 volume 0.66010E-03 ppm1 7.554 ppm2 3.174 CV 1
ASSI { 679}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 51 and name HG1%)
3.400 1.400 1.400 peak 679 spectrum 3 weight 0.11000E+01 volume 0.13014E-02 ppm1 7.561 ppm2 1.154 CV 1
ASSI { 683}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB ))
2.700 2.700 3.300 peak 683 spectrum 3 weight 0.11000E+01 volume 0.25240E-02 ppm1 7.561 ppm2 2.133 CV 1
ASSI { 688}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 36 and name HN ))
4.200 2.200 1.800 peak 688 spectrum 3 weight 0.11000E+01 volume 0.76393E-03 ppm1 7.786 ppm2 7.361 CV 1
ASSI { 689}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 38 and name HD% )
3.700 1.700 1.700 peak 689 spectrum 3 weight 0.11000E+01 volume 0.17974E-02 ppm1 7.787 ppm2 7.135 CV 1
ASSI { 690}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
3.100 1.200 1.200 peak 690 spectrum 3 weight 0.11000E+01 volume 0.24807E-02 ppm1 7.787 ppm2 4.262 CV 1
ASSI { 691}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 35 and name HA ))
4.000 2.000 2.000 peak 691 spectrum 3 weight 0.11000E+01 volume 0.42297E-03 ppm1 7.789 ppm2 3.702 CV 1
ASSI { 692}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB1 ))
3.200 3.200 2.800 peak 692 spectrum 3 weight 0.11000E+01 volume 0.25207E-02 ppm1 7.789 ppm2 3.165 CV 1
ASSI { 693}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.300 2.300 3.700 peak 693 spectrum 3 weight 0.11000E+01 volume 0.20985E-02 ppm1 7.788 ppm2 3.011 CV 1
ASSI { 694}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HG2 ))
4.400 2.400 1.600 peak 694 spectrum 3 weight 0.11000E+01 volume 0.65159E-03 ppm1 7.787 ppm2 2.134 CV 1
ASSI { 695}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB1 ))
3.600 3.600 2.400 peak 695 spectrum 3 weight 0.11000E+01 volume 0.91979E-03 ppm1 7.789 ppm2 1.881 CV 1
OR { 695}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
ASSI { 696}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 43 and name HG11))
5.400 3.600 0.600 peak 696 spectrum 3 weight 0.11000E+01 volume 0.56615E-03 ppm1 7.787 ppm2 1.585 CV 1
ASSI { 697}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 43 and name HG12))
6.000 4.800 0.000 peak 697 spectrum 3 weight 0.11000E+01 volume 0.35701E-03 ppm1 7.784 ppm2 1.212 CV 1
ASSI { 698}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 43 and name HD1%)
4.700 2.700 1.300 peak 698 spectrum 3 weight 0.11000E+01 volume 0.98617E-03 ppm1 7.786 ppm2 0.764 CV 1
ASSI { 699}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HN ))
4.400 2.400 1.600 peak 699 spectrum 3 weight 0.11000E+01 volume 0.54075E-03 ppm1 7.787 ppm2 8.408 CV 1
ASSI { 700}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.700 0.900 0.900 peak 700 spectrum 3 weight 0.11000E+01 volume 0.19850E-02 ppm1 7.787 ppm2 4.788 CV 1
ASSI { 715}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HA ))
2.500 2.500 3.500 peak 715 spectrum 3 weight 0.11000E+01 volume 0.64537E-02 ppm1 8.151 ppm2 4.149 CV 1
ASSI { 722}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HN ))
4.200 4.200 1.800 peak 722 spectrum 3 weight 0.11000E+01 volume 0.58133E-03 ppm1 8.716 ppm2 8.468 CV 1
ASSI { 723}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 75 and name HN ))
4.600 4.600 1.400 peak 723 spectrum 3 weight 0.11000E+01 volume 0.26744E-03 ppm1 8.715 ppm2 7.882 CV 1
ASSI { 724}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 71 and name HD2%)
3.600 3.600 2.400 peak 724 spectrum 3 weight 0.11000E+01 volume 0.20492E-02 ppm1 8.714 ppm2 0.447 CV 1
ASSI { 725}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.400 2.400 3.600 peak 725 spectrum 3 weight 0.11000E+01 volume 0.43655E-02 ppm1 8.714 ppm2 4.599 CV 1
ASSI { 726}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
3.000 1.200 1.200 peak 726 spectrum 3 weight 0.11000E+01 volume 0.15360E-02 ppm1 8.714 ppm2 4.381 CV 1
ASSI { 727}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HG ))
4.600 2.600 1.400 peak 727 spectrum 3 weight 0.11000E+01 volume 0.63127E-03 ppm1 8.714 ppm2 1.133 CV 1
ASSI { 728}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HG2%)
2.700 0.900 0.900 peak 728 spectrum 3 weight 0.11000E+01 volume 0.33214E-02 ppm1 8.715 ppm2 1.340 CV 1
ASSI { 732}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 71 and name HD1%)
4.300 4.300 1.700 peak 732 spectrum 3 weight 0.11000E+01 volume 0.35418E-03 ppm1 8.711 ppm2 0.048 CV 1
ASSI { 733}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 70 and name HA ))
2.400 2.400 3.600 peak 733 spectrum 3 weight 0.11000E+01 volume 0.20298E-02 ppm1 8.712 ppm2 4.759 CV 1
ASSI { 736}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HD21))
3.700 1.700 1.700 peak 736 spectrum 3 weight 0.11000E+01 volume 0.11004E-02 ppm1 8.567 ppm2 8.218 CV 1
ASSI { 740}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
2.700 0.900 0.900 peak 740 spectrum 3 weight 0.11000E+01 volume 0.32435E-02 ppm1 8.568 ppm2 4.561 CV 1
ASSI { 742}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
3.400 3.400 2.600 peak 742 spectrum 3 weight 0.11000E+01 volume 0.13094E-02 ppm1 8.566 ppm2 4.033 CV 1
ASSI { 744}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB1 ))
2.900 1.000 1.000 peak 744 spectrum 3 weight 0.11000E+01 volume 0.31572E-02 ppm1 8.569 ppm2 3.039 CV 1
ASSI { 746}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB2 ))
2.700 0.900 0.900 peak 746 spectrum 3 weight 0.11000E+01 volume 0.24325E-02 ppm1 8.567 ppm2 2.619 CV 1
ASSI { 748}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HB ))
3.400 1.400 1.400 peak 748 spectrum 3 weight 0.11000E+01 volume 0.39325E-02 ppm1 8.568 ppm2 2.039 CV 1
ASSI { 756}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 47 and name HA ))
4.300 2.300 1.700 peak 756 spectrum 3 weight 0.11000E+01 volume 0.48802E-03 ppm1 8.430 ppm2 3.646 CV 1
ASSI { 757}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
3.200 1.200 1.200 peak 757 spectrum 3 weight 0.11000E+01 volume 0.11553E-02 ppm1 8.433 ppm2 3.276 CV 1
ASSI { 758}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB1 ))
3.400 3.400 2.600 peak 758 spectrum 3 weight 0.11000E+01 volume 0.89316E-03 ppm1 8.431 ppm2 2.872 CV 1
ASSI { 760}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB ))
2.700 2.700 3.300 peak 760 spectrum 3 weight 0.11000E+01 volume 0.22557E-02 ppm1 8.428 ppm2 1.586 CV 1
ASSI { 763}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 50 and name HG2%)
2.900 1.000 1.000 peak 763 spectrum 3 weight 0.11000E+01 volume 0.13580E-02 ppm1 8.431 ppm2 0.686 CV 1
ASSI { 764}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 50 and name HD1%)
4.600 2.700 1.400 peak 764 spectrum 3 weight 0.11000E+01 volume 0.97767E-03 ppm1 8.430 ppm2 0.462 CV 1
ASSI { 766}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG12))
4.200 2.200 1.800 peak 766 spectrum 3 weight 0.11000E+01 volume 0.11011E-02 ppm1 8.429 ppm2 0.012 CV 1
ASSI { 767}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB2 ))
3.600 1.600 1.600 peak 767 spectrum 3 weight 0.11000E+01 volume 0.77075E-03 ppm1 8.431 ppm2 2.652 CV 1
ASSI { 771}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
3.500 1.600 1.600 peak 771 spectrum 3 weight 0.11000E+01 volume 0.77672E-03 ppm1 8.543 ppm2 4.269 CV 1
ASSI { 773}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
2.900 1.000 1.000 peak 773 spectrum 3 weight 0.11000E+01 volume 0.18490E-02 ppm1 8.543 ppm2 3.697 CV 1
ASSI { 776}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB1 ))
2.600 2.600 3.400 peak 776 spectrum 3 weight 0.11000E+01 volume 0.27469E-02 ppm1 8.546 ppm2 1.953 CV 1
ASSI { 777}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
2.700 0.900 0.900 peak 777 spectrum 3 weight 0.11000E+01 volume 0.27465E-02 ppm1 8.544 ppm2 1.605 CV 1
ASSI { 778}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HG2 ))
4.200 2.200 1.800 peak 778 spectrum 3 weight 0.11000E+01 volume 0.10953E-02 ppm1 8.541 ppm2 1.366 CV 1
ASSI { 779}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 71 and name HG ))
4.300 2.300 1.700 peak 779 spectrum 3 weight 0.11000E+01 volume 0.79384E-03 ppm1 8.543 ppm2 1.151 CV 1
ASSI { 780}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 71 and name HD2%)
3.700 1.700 1.700 peak 780 spectrum 3 weight 0.11000E+01 volume 0.10350E-02 ppm1 8.541 ppm2 0.422 CV 1
ASSI { 781}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 71 and name HD1%)
4.300 2.300 1.700 peak 781 spectrum 3 weight 0.11000E+01 volume 0.48298E-03 ppm1 8.539 ppm2 0.030 CV 1
ASSI { 784}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
3.000 3.000 3.000 peak 784 spectrum 3 weight 0.11000E+01 volume 0.14499E-02 ppm1 8.302 ppm2 8.103 CV 1
ASSI { 787}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB1 ))
2.900 1.000 1.000 peak 787 spectrum 3 weight 0.11000E+01 volume 0.19611E-02 ppm1 8.299 ppm2 1.878 CV 1
ASSI { 789}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 10 and name HA ))
4.100 4.100 1.900 peak 789 spectrum 3 weight 0.11000E+01 volume 0.94810E-03 ppm1 8.297 ppm2 4.275 CV 1
ASSI { 790}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HA ))
3.500 3.500 2.500 peak 790 spectrum 3 weight 0.11000E+01 volume 0.80074E-03 ppm1 8.296 ppm2 4.120 CV 1
ASSI { 791}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.800 0.900 0.900 peak 791 spectrum 3 weight 0.11000E+01 volume 0.28237E-02 ppm1 8.298 ppm2 3.926 CV 1
ASSI { 797}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG2 ))
3.000 1.100 1.100 peak 797 spectrum 3 weight 0.11000E+01 volume 0.82677E-02 ppm1 8.298 ppm2 2.137 CV 1
OR { 797}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 798}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG1 ))
2.900 2.900 3.100 peak 798 spectrum 3 weight 0.11000E+01 volume 0.13313E-02 ppm1 8.298 ppm2 2.319 CV 1
ASSI { 800}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HD2%)
3.900 1.900 1.900 peak 800 spectrum 3 weight 0.11000E+01 volume 0.10148E-02 ppm1 8.300 ppm2 0.876 CV 1
ASSI { 801}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
3.300 1.400 1.400 peak 801 spectrum 3 weight 0.11000E+01 volume 0.21179E-02 ppm1 8.299 ppm2 1.780 CV 1
ASSI { 805}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 50 and name HN ))
3.700 1.700 1.700 peak 805 spectrum 3 weight 0.11000E+01 volume 0.92859E-03 ppm1 8.090 ppm2 8.421 CV 1
ASSI { 808}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HN ))
2.800 2.800 3.200 peak 808 spectrum 3 weight 0.11000E+01 volume 0.26975E-02 ppm1 8.090 ppm2 7.561 CV 1
ASSI { 809}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
3.700 1.700 1.700 peak 809 spectrum 3 weight 0.11000E+01 volume 0.86567E-03 ppm1 8.094 ppm2 4.306 CV 1
ASSI { 810}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 45 and name HA ))
3.400 1.500 1.500 peak 810 spectrum 3 weight 0.11000E+01 volume 0.13752E-02 ppm1 8.090 ppm2 3.911 CV 1
ASSI { 811}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
2.800 2.800 3.200 peak 811 spectrum 3 weight 0.11000E+01 volume 0.20338E-02 ppm1 8.090 ppm2 3.655 CV 1
ASSI { 813}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB1 ))
2.900 1.000 1.000 peak 813 spectrum 3 weight 0.11000E+01 volume 0.14182E-02 ppm1 8.090 ppm2 3.074 CV 1
ASSI { 821}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 29 and name HG12))
4.200 2.200 1.800 peak 821 spectrum 3 weight 0.11000E+01 volume 0.86377E-03 ppm1 8.095 ppm2 0.885 CV 1
ASSI { 822}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 29 and name HD1%)
3.400 3.400 2.600 peak 822 spectrum 3 weight 0.11000E+01 volume 0.11260E-02 ppm1 8.095 ppm2 0.740 CV 1
ASSI { 825}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 18 and name HD21))
5.000 5.000 1.000 peak 825 spectrum 3 weight 0.11000E+01 volume 0.59308E-03 ppm1 8.272 ppm2 7.596 CV 1
ASSI { 827}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HN ))
3.200 1.300 1.300 peak 827 spectrum 3 weight 0.11000E+01 volume 0.98867E-03 ppm1 8.269 ppm2 8.444 CV 1
ASSI { 829}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 47 and name HA ))
5.100 3.200 0.900 peak 829 spectrum 3 weight 0.11000E+01 volume 0.27824E-03 ppm1 8.273 ppm2 3.613 CV 1
ASSI { 831}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HA ))
3.000 1.200 1.200 peak 831 spectrum 3 weight 0.11000E+01 volume 0.14323E-02 ppm1 8.269 ppm2 3.167 CV 1
ASSI { 833}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB ))
2.500 2.500 3.500 peak 833 spectrum 3 weight 0.11000E+01 volume 0.34073E-02 ppm1 8.269 ppm2 2.191 CV 1
ASSI { 836}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB ))
3.900 1.900 1.900 peak 836 spectrum 3 weight 0.11000E+01 volume 0.98397E-03 ppm1 8.269 ppm2 1.633 CV 1
ASSI { 838}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HG1%)
4.100 4.100 1.900 peak 838 spectrum 3 weight 0.11000E+01 volume 0.10539E-02 ppm1 8.269 ppm2 1.191 CV 1
ASSI { 839}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HG2%)
2.800 2.800 3.200 peak 839 spectrum 3 weight 0.11000E+01 volume 0.19650E-02 ppm1 8.269 ppm2 0.952 CV 1
ASSI { 840}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 50 and name HG2%)
3.100 1.200 1.200 peak 840 spectrum 3 weight 0.11000E+01 volume 0.86977E-03 ppm1 8.269 ppm2 0.656 CV 1
ASSI { 841}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 50 and name HD1%)
5.700 4.000 0.300 peak 841 spectrum 3 weight 0.11000E+01 volume 0.28873E-03 ppm1 8.269 ppm2 0.470 CV 1
ASSI { 846}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HA ))
3.300 3.300 2.700 peak 846 spectrum 3 weight 0.11000E+01 volume 0.41048E-02 ppm1 8.389 ppm2 4.756 CV 1
ASSI { 848}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
3.600 1.600 1.600 peak 848 spectrum 3 weight 0.11000E+01 volume 0.89368E-03 ppm1 8.390 ppm2 4.261 CV 1
ASSI { 852}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.000 1.200 1.200 peak 852 spectrum 3 weight 0.11000E+01 volume 0.18899E-02 ppm1 8.389 ppm2 3.177 CV 1
ASSI { 855}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HB2 ))
5.000 5.000 1.000 peak 855 spectrum 3 weight 0.11000E+01 volume 0.28149E-03 ppm1 8.389 ppm2 2.718 CV 1
ASSI { 856}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HG1 ))
3.800 3.800 2.200 peak 856 spectrum 3 weight 0.11000E+01 volume 0.19056E-02 ppm1 8.389 ppm2 2.247 CV 1
ASSI { 857}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HG2 ))
2.200 2.200 3.800 peak 857 spectrum 3 weight 0.11000E+01 volume 0.59528E-02 ppm1 8.389 ppm2 2.023 CV 1
ASSI { 866}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HN ))
4.000 2.000 2.000 peak 866 spectrum 3 weight 0.11000E+01 volume 0.54579E-03 ppm1 8.395 ppm2 7.556 CV 1
ASSI { 867}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 51 and name HA ))
3.700 3.700 2.300 peak 867 spectrum 3 weight 0.11000E+01 volume 0.55470E-03 ppm1 8.396 ppm2 3.180 CV 1
ASSI { 869}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
3.900 3.900 2.100 peak 869 spectrum 3 weight 0.11000E+01 volume 0.47657E-03 ppm1 8.392 ppm2 3.577 CV 1
ASSI { 870}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
3.800 1.800 1.800 peak 870 spectrum 3 weight 0.11000E+01 volume 0.61993E-03 ppm1 8.431 ppm2 4.374 CV 1
ASSI { 871}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA ))
3.000 1.100 1.100 peak 871 spectrum 3 weight 0.11000E+01 volume 0.16578E-02 ppm1 8.395 ppm2 3.350 CV 1
ASSI { 873}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HG12))
4.400 2.400 1.600 peak 873 spectrum 3 weight 0.11000E+01 volume 0.40440E-03 ppm1 8.392 ppm2 1.799 CV 1
ASSI { 874}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HB ))
3.300 3.300 2.700 peak 874 spectrum 3 weight 0.11000E+01 volume 0.16912E-02 ppm1 8.390 ppm2 1.654 CV 1
ASSI { 876}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HG ))
3.700 3.700 2.300 peak 876 spectrum 3 weight 0.11000E+01 volume 0.19109E-02 ppm1 8.393 ppm2 1.237 CV 1
ASSI { 877}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 53 and name HG2%)
3.200 3.200 2.800 peak 877 spectrum 3 weight 0.11000E+01 volume 0.10041E-02 ppm1 8.393 ppm2 0.975 CV 1
ASSI { 878}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB1 ))
3.200 3.200 2.800 peak 878 spectrum 3 weight 0.11000E+01 volume 0.27120E-02 ppm1 8.392 ppm2 0.726 CV 1
ASSI { 879}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 54 and name HD1%)
4.400 4.400 1.600 peak 879 spectrum 3 weight 0.11000E+01 volume 0.12025E-02 ppm1 8.394 ppm2 0.245 CV 1
ASSI { 880}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 54 and name HD2%)
4.400 4.400 1.600 peak 880 spectrum 3 weight 0.11000E+01 volume 0.13851E-02 ppm1 8.395 ppm2 -0.051 CV 1
ASSI { 883}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 46 and name HN ))
3.800 1.800 1.800 peak 883 spectrum 3 weight 0.11000E+01 volume 0.71022E-03 ppm1 7.687 ppm2 8.341 CV 1
ASSI { 886}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HA ))
4.000 2.000 2.000 peak 886 spectrum 3 weight 0.11000E+01 volume 0.48664E-03 ppm1 7.687 ppm2 4.530 CV 1
ASSI { 887}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
3.700 3.700 2.300 peak 887 spectrum 3 weight 0.11000E+01 volume 0.61281E-03 ppm1 7.684 ppm2 4.283 CV 1
ASSI { 890}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.400 3.400 2.600 peak 890 spectrum 3 weight 0.11000E+01 volume 0.93888E-03 ppm1 7.686 ppm2 3.703 CV 1
ASSI { 896}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 43 and name HG2%)
3.300 1.300 1.300 peak 896 spectrum 3 weight 0.11000E+01 volume 0.11589E-02 ppm1 7.684 ppm2 0.866 CV 1
ASSI { 900}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HN ))
2.700 0.900 0.900 peak 900 spectrum 3 weight 0.11000E+01 volume 0.21734E-02 ppm1 8.549 ppm2 8.844 CV 1
ASSI { 902}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 77 and name HN ))
4.200 2.200 1.800 peak 902 spectrum 3 weight 0.11000E+01 volume 0.51494E-03 ppm1 8.547 ppm2 8.180 CV 1
ASSI { 906}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HA ))
3.800 1.800 1.800 peak 906 spectrum 3 weight 0.11000E+01 volume 0.58543E-03 ppm1 8.547 ppm2 4.070 CV 1
ASSI { 907}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA ))
2.800 1.000 1.000 peak 907 spectrum 3 weight 0.11000E+01 volume 0.23477E-02 ppm1 8.546 ppm2 3.702 CV 1
ASSI { 911}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 79 and name HG1%)
2.400 0.700 0.700 peak 911 spectrum 3 weight 0.11000E+01 volume 0.45643E-02 ppm1 8.547 ppm2 1.379 CV 1
ASSI { 916}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 77 and name HN ))
3.600 3.600 2.400 peak 916 spectrum 3 weight 0.11000E+01 volume 0.90782E-03 ppm1 8.827 ppm2 8.191 CV 1
ASSI { 917}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA ))
3.000 1.100 1.100 peak 917 spectrum 3 weight 0.11000E+01 volume 0.15306E-02 ppm1 8.828 ppm2 3.766 CV 1
ASSI { 924}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 82 and name HN ))
4.300 4.300 1.700 peak 924 spectrum 3 weight 0.11000E+01 volume 0.39455E-03 ppm1 8.826 ppm2 7.943 CV 1
ASSI { 945}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
2.900 1.000 1.000 peak 945 spectrum 3 weight 0.11000E+01 volume 0.27679E-02 ppm1 8.881 ppm2 4.350 CV 1
ASSI { 952}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HN ))
3.000 1.100 1.100 peak 952 spectrum 3 weight 0.11000E+01 volume 0.13844E-02 ppm1 8.025 ppm2 8.304 CV 1
ASSI { 953}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 59 and name HN ))
4.000 4.000 2.000 peak 953 spectrum 3 weight 0.11000E+01 volume 0.52095E-03 ppm1 8.025 ppm2 7.561 CV 1
ASSI { 954}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 58 and name HN ))
4.200 2.200 1.800 peak 954 spectrum 3 weight 0.11000E+01 volume 0.49376E-03 ppm1 8.025 ppm2 7.305 CV 1
ASSI { 955}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
3.100 1.200 1.200 peak 955 spectrum 3 weight 0.11000E+01 volume 0.17330E-02 ppm1 8.025 ppm2 4.399 CV 1
ASSI { 956}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB ))
2.800 1.000 1.000 peak 956 spectrum 3 weight 0.11000E+01 volume 0.21514E-02 ppm1 8.025 ppm2 4.212 CV 1
ASSI { 960}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 53 and name HB ))
2.800 2.800 3.200 peak 960 spectrum 3 weight 0.11000E+01 volume 0.74685E-03 ppm1 8.025 ppm2 1.679 CV 1
ASSI { 968}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HN ))
2.900 1.000 1.000 peak 968 spectrum 3 weight 0.11000E+01 volume 0.19454E-02 ppm1 8.488 ppm2 8.676 CV 1
ASSI { 969}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 82 and name HN ))
3.100 3.100 2.900 peak 969 spectrum 3 weight 0.11000E+01 volume 0.41186E-03 ppm1 8.490 ppm2 8.000 CV 1
ASSI { 970}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HN ))
2.800 1.000 1.000 peak 970 spectrum 3 weight 0.11000E+01 volume 0.21640E-02 ppm1 8.486 ppm2 7.759 CV 1
ASSI { 971}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 86 and name HD% )
4.500 4.500 1.500 peak 971 spectrum 3 weight 0.11000E+01 volume 0.87321E-03 ppm1 8.488 ppm2 6.745 CV 1
ASSI { 973}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HB1 ))
3.100 3.100 2.900 peak 973 spectrum 3 weight 0.11000E+01 volume 0.14852E-02 ppm1 8.490 ppm2 3.886 CV 1
ASSI { 974}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HA ))
3.100 1.200 1.200 peak 974 spectrum 3 weight 0.11000E+01 volume 0.17497E-02 ppm1 8.490 ppm2 3.712 CV 1
ASSI { 975}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 83 and name HA ))
3.600 1.600 1.600 peak 975 spectrum 3 weight 0.11000E+01 volume 0.97443E-03 ppm1 8.486 ppm2 3.264 CV 1
ASSI { 976}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB1 ))
2.800 1.000 1.000 peak 976 spectrum 3 weight 0.11000E+01 volume 0.22329E-02 ppm1 8.490 ppm2 2.784 CV 1
ASSI { 978}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB2 ))
2.900 1.000 1.000 peak 978 spectrum 3 weight 0.11000E+01 volume 0.22140E-02 ppm1 8.486 ppm2 2.250 CV 1
ASSI { 980}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 83 and name HG2%)
4.800 2.900 1.200 peak 980 spectrum 3 weight 0.11000E+01 volume 0.32229E-03 ppm1 8.486 ppm2 0.919 CV 1
ASSI { 981}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 84 and name HN ))
4.200 4.200 1.800 peak 981 spectrum 3 weight 0.11000E+01 volume 0.34683E-03 ppm1 8.486 ppm2 8.254 CV 1
ASSI { 982}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 82 and name HD% )
4.200 4.200 1.800 peak 982 spectrum 3 weight 0.11000E+01 volume 0.37012E-03 ppm1 8.487 ppm2 7.099 CV 1
ASSI { 984}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.200 0.600 0.600 peak 984 spectrum 3 weight 0.11000E+01 volume 0.97812E-02 ppm1 8.855 ppm2 8.876 CV 1
ASSI { 985}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
3.000 1.100 1.100 peak 985 spectrum 3 weight 0.11000E+01 volume 0.15499E-02 ppm1 8.856 ppm2 8.530 CV 1
ASSI { 986}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 14 and name HN ))
4.300 2.300 1.700 peak 986 spectrum 3 weight 0.11000E+01 volume 0.36519E-03 ppm1 8.853 ppm2 8.276 CV 1
ASSI { 987}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HD21))
5.000 3.100 1.000 peak 987 spectrum 3 weight 0.11000E+01 volume 0.32848E-03 ppm1 8.855 ppm2 7.584 CV 1
ASSI { 988}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD1 ))
3.900 3.900 2.100 peak 988 spectrum 3 weight 0.11000E+01 volume 0.71287E-03 ppm1 8.852 ppm2 7.144 CV 1
ASSI { 989}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HE3 ))
5.400 5.400 0.600 peak 989 spectrum 3 weight 0.11000E+01 volume 0.27929E-03 ppm1 8.858 ppm2 7.375 CV 1
ASSI { 990}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.400 1.500 1.500 peak 990 spectrum 3 weight 0.11000E+01 volume 0.72723E-03 ppm1 8.855 ppm2 4.260 CV 1
ASSI { 991}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 14 and name HA ))
4.000 4.000 2.000 peak 991 spectrum 3 weight 0.11000E+01 volume 0.74979E-03 ppm1 8.855 ppm2 3.957 CV 1
ASSI { 992}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.900 1.900 1.900 peak 992 spectrum 3 weight 0.11000E+01 volume 0.15787E-02 ppm1 8.855 ppm2 3.702 CV 1
ASSI { 993}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
2.600 2.600 3.400 peak 993 spectrum 3 weight 0.11000E+01 volume 0.15298E-02 ppm1 8.855 ppm2 3.376 CV 1
ASSI { 997}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 55 and name HG2%)
4.700 4.700 1.300 peak 997 spectrum 3 weight 0.11000E+01 volume 0.86713E-03 ppm1 8.856 ppm2 1.371 CV 1
ASSI { 998}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 67 and name HG1 ))
3.800 3.800 2.200 peak 998 spectrum 3 weight 0.11000E+01 volume 0.49861E-03 ppm1 8.855 ppm2 1.140 CV 1
ASSI { 999}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 13 and name HD2%)
4.200 2.200 1.800 peak 999 spectrum 3 weight 0.11000E+01 volume 0.45769E-03 ppm1 8.855 ppm2 0.889 CV 1
ASSI { 1000}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 67 and name HG2 ))
4.700 2.700 1.300 peak 1000 spectrum 3 weight 0.11000E+01 volume 0.29743E-03 ppm1 8.853 ppm2 0.195 CV 1
ASSI { 1002}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HN ))
1.800 1.800 4.200 peak 1002 spectrum 3 weight 0.11000E+01 volume 0.49641E-01 ppm1 8.142 ppm2 8.142 CV 1
ASSI { 1012}
(( segid " " and resid 99 and name HN ))
( segid " " and resid 99 and name HB% )
2.800 1.000 1.000 peak 1012 spectrum 3 weight 0.11000E+01 volume 0.36266E-02 ppm1 8.141 ppm2 1.391 CV 1
ASSI { 1019}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 77 and name HN ))
4.000 4.000 2.000 peak 1019 spectrum 3 weight 0.11000E+01 volume 0.66409E-03 ppm1 7.909 ppm2 8.094 CV 1
ASSI { 1020}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
2.900 1.000 1.000 peak 1020 spectrum 3 weight 0.11000E+01 volume 0.16706E-02 ppm1 7.909 ppm2 8.531 CV 1
ASSI { 1021}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HN ))
3.400 1.500 1.500 peak 1021 spectrum 3 weight 0.11000E+01 volume 0.70165E-03 ppm1 7.909 ppm2 8.732 CV 1
ASSI { 1022}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
3.000 1.100 1.100 peak 1022 spectrum 3 weight 0.11000E+01 volume 0.15392E-02 ppm1 7.909 ppm2 4.263 CV 1
ASSI { 1023}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA1 ))
2.900 2.900 3.100 peak 1023 spectrum 3 weight 0.11000E+01 volume 0.16026E-02 ppm1 7.910 ppm2 3.927 CV 1
ASSI { 1024}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 71 and name HA ))
5.400 3.700 0.600 peak 1024 spectrum 3 weight 0.11000E+01 volume 0.29188E-03 ppm1 7.909 ppm2 4.545 CV 1
ASSI { 1028}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 71 and name HD2%)
4.900 4.900 1.100 peak 1028 spectrum 3 weight 0.11000E+01 volume 0.38060E-03 ppm1 7.907 ppm2 0.460 CV 1
ASSI { 1030}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HN ))
3.800 1.800 1.800 peak 1030 spectrum 3 weight 0.11000E+01 volume 0.88078E-03 ppm1 7.330 ppm2 8.398 CV 1
ASSI { 1031}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HN ))
2.500 0.800 0.800 peak 1031 spectrum 3 weight 0.11000E+01 volume 0.54996E-02 ppm1 7.333 ppm2 8.629 CV 1
ASSI { 1032}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 17 and name HD1 ))
4.300 4.300 1.700 peak 1032 spectrum 3 weight 0.11000E+01 volume 0.46795E-03 ppm1 7.334 ppm2 7.134 CV 1
ASSI { 1033}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 17 and name HZ2 ))
4.500 2.600 1.500 peak 1033 spectrum 3 weight 0.11000E+01 volume 0.38366E-03 ppm1 7.334 ppm2 6.997 CV 1
ASSI { 1035}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
3.000 1.100 1.100 peak 1035 spectrum 3 weight 0.11000E+01 volume 0.22437E-02 ppm1 7.332 ppm2 4.284 CV 1
ASSI { 1037}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB1 ))
4.400 4.400 1.600 peak 1037 spectrum 3 weight 0.11000E+01 volume 0.68706E-03 ppm1 7.333 ppm2 3.947 CV 1
ASSI { 1038}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB2 ))
4.100 4.100 1.900 peak 1038 spectrum 3 weight 0.11000E+01 volume 0.85728E-03 ppm1 7.333 ppm2 3.835 CV 1
ASSI { 1039}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HD1 ))
4.700 4.700 1.300 peak 1039 spectrum 3 weight 0.11000E+01 volume 0.42633E-03 ppm1 7.334 ppm2 3.290 CV 1
ASSI { 1040}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HB1 ))
4.000 4.000 2.000 peak 1040 spectrum 3 weight 0.11000E+01 volume 0.57189E-03 ppm1 7.331 ppm2 2.790 CV 1
ASSI { 1041}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HB2 ))
4.700 4.700 1.300 peak 1041 spectrum 3 weight 0.11000E+01 volume 0.36519E-03 ppm1 7.333 ppm2 2.585 CV 1
ASSI { 1045}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 13 and name HD1%)
4.000 2.000 2.000 peak 1045 spectrum 3 weight 0.11000E+01 volume 0.41499E-03 ppm1 7.331 ppm2 0.986 CV 1
ASSI { 1046}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 59 and name HD1%)
3.700 1.700 1.700 peak 1046 spectrum 3 weight 0.11000E+01 volume 0.52471E-03 ppm1 7.331 ppm2 0.888 CV 1
ASSI { 1048}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 59 and name HB1 ))
2.800 2.800 3.200 peak 1048 spectrum 3 weight 0.11000E+01 volume 0.74338E-03 ppm1 7.333 ppm2 1.662 CV 1
ASSI { 1049}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
3.200 3.200 2.800 peak 1049 spectrum 3 weight 0.11000E+01 volume 0.12691E-02 ppm1 7.333 ppm2 4.577 CV 1
ASSI { 1050}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 17 and name HE1 ))
4.700 2.700 1.300 peak 1050 spectrum 3 weight 0.11000E+01 volume 0.17169E-03 ppm1 7.333 ppm2 10.466 CV 1
ASSI { 1052}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HN ))
4.300 2.300 1.700 peak 1052 spectrum 3 weight 0.11000E+01 volume 0.45904E-03 ppm1 8.440 ppm2 7.528 CV 1
ASSI { 1053}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
3.000 3.000 3.000 peak 1053 spectrum 3 weight 0.11000E+01 volume 0.14814E-02 ppm1 8.440 ppm2 4.594 CV 1
ASSI { 1054}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB1 ))
2.800 2.800 3.200 peak 1054 spectrum 3 weight 0.11000E+01 volume 0.33517E-02 ppm1 8.436 ppm2 2.473 CV 1
OR { 1054}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB2 ))
ASSI { 1058}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 71 and name HD2%)
4.500 2.600 1.500 peak 1058 spectrum 3 weight 0.11000E+01 volume 0.63619E-03 ppm1 8.438 ppm2 0.411 CV 1
ASSI { 1059}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 71 and name HD1%)
4.200 4.200 1.800 peak 1059 spectrum 3 weight 0.11000E+01 volume 0.11545E-02 ppm1 8.440 ppm2 0.057 CV 1
ASSI { 1060}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
1.600 0.300 0.600 peak 1060 spectrum 3 weight 0.11000E+01 volume 0.44811E-01 ppm1 8.253 ppm2 8.258 CV 1
ASSI { 1064}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.500 2.500 3.500 peak 1064 spectrum 3 weight 0.11000E+01 volume 0.92796E-02 ppm1 8.257 ppm2 4.349 CV 1
ASSI { 1070}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 6 and name HG2%)
3.600 1.600 1.600 peak 1070 spectrum 3 weight 0.11000E+01 volume 0.27310E-02 ppm1 8.253 ppm2 1.168 CV 1
ASSI { 1073}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HN ))
1.600 1.600 4.400 peak 1073 spectrum 3 weight 0.11000E+01 volume 0.22230E-01 ppm1 7.570 ppm2 7.584 CV 1
ASSI { 1074}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.400 0.700 0.700 peak 1074 spectrum 3 weight 0.11000E+01 volume 0.48973E-02 ppm1 7.570 ppm2 7.351 CV 1
ASSI { 1075}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 38 and name HD% )
4.600 4.600 1.400 peak 1075 spectrum 3 weight 0.11000E+01 volume 0.76363E-03 ppm1 7.570 ppm2 7.142 CV 1
ASSI { 1076}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 38 and name HN ))
5.200 5.200 0.800 peak 1076 spectrum 3 weight 0.11000E+01 volume 0.68046E-03 ppm1 7.570 ppm2 7.811 CV 1
ASSI { 1077}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
2.700 0.900 0.900 peak 1077 spectrum 3 weight 0.11000E+01 volume 0.23585E-02 ppm1 7.573 ppm2 4.932 CV 1
ASSI { 1079}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HA ))
3.900 3.900 2.100 peak 1079 spectrum 3 weight 0.11000E+01 volume 0.82088E-03 ppm1 7.570 ppm2 3.934 CV 1
ASSI { 1081}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HA ))
3.300 1.400 1.400 peak 1081 spectrum 3 weight 0.11000E+01 volume 0.10263E-02 ppm1 7.570 ppm2 3.539 CV 1
ASSI { 1083}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB1 ))
2.800 1.000 1.000 peak 1083 spectrum 3 weight 0.11000E+01 volume 0.42719E-02 ppm1 7.570 ppm2 3.074 CV 1
ASSI { 1084}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
2.200 0.600 0.600 peak 1084 spectrum 3 weight 0.11000E+01 volume 0.38594E-02 ppm1 7.570 ppm2 2.713 CV 1
ASSI { 1086}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HB ))
3.800 3.800 2.200 peak 1086 spectrum 3 weight 0.11000E+01 volume 0.15137E-02 ppm1 7.570 ppm2 1.819 CV 1
ASSI { 1088}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 29 and name HG2%)
4.400 2.400 1.600 peak 1088 spectrum 3 weight 0.11000E+01 volume 0.57872E-03 ppm1 7.570 ppm2 0.773 CV 1
ASSI { 1090}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
2.200 2.200 3.800 peak 1090 spectrum 3 weight 0.11000E+01 volume 0.11707E-01 ppm1 8.107 ppm2 8.107 CV 1
ASSI { 1091}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
3.500 1.500 1.500 peak 1091 spectrum 3 weight 0.11000E+01 volume 0.63377E-03 ppm1 8.107 ppm2 8.416 CV 1
ASSI { 1094}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 8 and name HA ))
4.100 4.100 1.900 peak 1094 spectrum 3 weight 0.11000E+01 volume 0.45035E-03 ppm1 8.106 ppm2 4.399 CV 1
ASSI { 1095}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.900 1.100 1.100 peak 1095 spectrum 3 weight 0.11000E+01 volume 0.23846E-02 ppm1 8.106 ppm2 4.214 CV 1
ASSI { 1096}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HA ))
4.100 2.100 1.900 peak 1096 spectrum 3 weight 0.11000E+01 volume 0.91822E-03 ppm1 8.114 ppm2 3.956 CV 1
ASSI { 1100}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB ))
2.700 0.900 0.900 peak 1100 spectrum 3 weight 0.11000E+01 volume 0.15780E-02 ppm1 8.113 ppm2 1.866 CV 1
ASSI { 1102}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 25 and name HG2%)
3.000 1.100 1.100 peak 1102 spectrum 3 weight 0.11000E+01 volume 0.19409E-02 ppm1 8.115 ppm2 0.719 CV 1
OR { 1102}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 25 and name HG1%)
ASSI { 1107}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HN ))
3.200 1.300 1.300 peak 1107 spectrum 3 weight 0.11000E+01 volume 0.95649E-03 ppm1 7.817 ppm2 8.147 CV 1
ASSI { 1108}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HN ))
3.200 1.300 1.300 peak 1108 spectrum 3 weight 0.11000E+01 volume 0.92628E-03 ppm1 7.819 ppm2 8.522 CV 1
ASSI { 1110}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
3.300 1.300 1.300 peak 1110 spectrum 3 weight 0.11000E+01 volume 0.12518E-02 ppm1 7.811 ppm2 4.075 CV 1
ASSI { 1118}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
2.100 0.500 0.500 peak 1118 spectrum 3 weight 0.11000E+01 volume 0.10849E-01 ppm1 8.442 ppm2 4.771 CV 1
ASSI { 1124}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HD2 ))
3.100 3.100 2.900 peak 1124 spectrum 3 weight 0.11000E+01 volume 0.99266E-03 ppm1 8.114 ppm2 3.358 CV 1
ASSI { 1125}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB1 ))
4.400 4.400 1.600 peak 1125 spectrum 3 weight 0.11000E+01 volume 0.45012E-03 ppm1 8.109 ppm2 3.114 CV 1
ASSI { 1127}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 79 and name HA ))
3.800 1.800 1.800 peak 1127 spectrum 3 weight 0.11000E+01 volume 0.48686E-03 ppm1 8.867 ppm2 3.713 CV 1
ASSI { 1128}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 81 and name HA ))
4.600 2.600 1.400 peak 1128 spectrum 3 weight 0.11000E+01 volume 0.26797E-03 ppm1 8.871 ppm2 4.011 CV 1
ASSI { 1130}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HB2 ))
4.800 2.800 1.200 peak 1130 spectrum 3 weight 0.11000E+01 volume 0.36708E-03 ppm1 8.533 ppm2 1.738 CV 1
ASSI { 1131}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HB1 ))
4.300 4.300 1.700 peak 1131 spectrum 3 weight 0.11000E+01 volume 0.52859E-03 ppm1 8.533 ppm2 1.851 CV 1
ASSI { 1134}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HN ))
2.700 0.900 0.900 peak 1134 spectrum 3 weight 0.11000E+01 volume 0.26887E-02 ppm1 7.542 ppm2 7.321 CV 1
ASSI { 1136}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HN ))
4.200 4.200 1.800 peak 1136 spectrum 3 weight 0.11000E+01 volume 0.39843E-03 ppm1 7.538 ppm2 7.907 CV 1
ASSI { 1137}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA ))
3.000 1.100 1.100 peak 1137 spectrum 3 weight 0.11000E+01 volume 0.16988E-02 ppm1 7.541 ppm2 4.018 CV 1
ASSI { 1138}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
3.400 3.400 2.600 peak 1138 spectrum 3 weight 0.11000E+01 volume 0.11932E-02 ppm1 7.542 ppm2 3.668 CV 1
ASSI { 1140}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB1 ))
2.900 1.100 1.100 peak 1140 spectrum 3 weight 0.11000E+01 volume 0.37382E-02 ppm1 7.542 ppm2 1.645 CV 1
ASSI { 1141}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB2 ))
2.600 0.900 0.900 peak 1141 spectrum 3 weight 0.11000E+01 volume 0.24038E-02 ppm1 7.543 ppm2 1.377 CV 1
ASSI { 1142}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB1 ))
3.700 3.700 2.300 peak 1142 spectrum 3 weight 0.11000E+01 volume 0.12703E-02 ppm1 7.542 ppm2 1.049 CV 1
ASSI { 1143}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HD2%)
3.800 1.800 1.800 peak 1143 spectrum 3 weight 0.11000E+01 volume 0.21138E-02 ppm1 7.541 ppm2 0.817 CV 1
ASSI { 1149}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HN ))
2.800 1.000 1.000 peak 1149 spectrum 3 weight 0.11000E+01 volume 0.26463E-02 ppm1 7.548 ppm2 8.199 CV 1
ASSI { 1150}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
3.600 1.600 1.600 peak 1150 spectrum 3 weight 0.11000E+01 volume 0.70299E-03 ppm1 7.553 ppm2 4.029 CV 1
ASSI { 1151}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 45 and name HA ))
2.900 2.900 3.100 peak 1151 spectrum 3 weight 0.11000E+01 volume 0.26232E-02 ppm1 7.547 ppm2 3.874 CV 1
ASSI { 1153}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
3.600 1.600 1.600 peak 1153 spectrum 3 weight 0.11000E+01 volume 0.79888E-03 ppm1 7.555 ppm2 3.605 CV 1
ASSI { 1156}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB1 ))
2.600 0.800 0.800 peak 1156 spectrum 3 weight 0.11000E+01 volume 0.66487E-02 ppm1 7.547 ppm2 1.912 CV 1
ASSI { 1158}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 47 and name HB% )
2.700 2.700 3.300 peak 1158 spectrum 3 weight 0.11000E+01 volume 0.36560E-02 ppm1 7.547 ppm2 1.369 CV 1
ASSI { 1159}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 28 and name HN ))
2.200 2.200 3.800 peak 1159 spectrum 3 weight 0.11000E+01 volume 0.15927E-01 ppm1 7.628 ppm2 7.629 CV 1
ASSI { 1160}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 1160 spectrum 3 weight 0.11000E+01 volume 0.17321E-02 ppm1 7.628 ppm2 8.231 CV 1
ASSI { 1161}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 28 and name HA ))
3.500 1.600 1.600 peak 1161 spectrum 3 weight 0.11000E+01 volume 0.10403E-02 ppm1 7.630 ppm2 4.112 CV 1
ASSI { 1162}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.900 2.900 3.100 peak 1162 spectrum 3 weight 0.11000E+01 volume 0.25515E-02 ppm1 7.628 ppm2 3.922 CV 1
ASSI { 1163}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
3.500 3.500 2.500 peak 1163 spectrum 3 weight 0.11000E+01 volume 0.86903E-03 ppm1 7.628 ppm2 3.573 CV 1
ASSI { 1166}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 29 and name HG2%)
3.800 3.800 2.200 peak 1166 spectrum 3 weight 0.11000E+01 volume 0.92147E-03 ppm1 7.630 ppm2 0.732 CV 1
ASSI { 1169}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HG12))
4.400 2.500 1.600 peak 1169 spectrum 3 weight 0.11000E+01 volume 0.10657E-02 ppm1 7.630 ppm2 0.880 CV 1
ASSI { 1170}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HE1 ))
5.400 3.700 0.600 peak 1170 spectrum 3 weight 0.11000E+01 volume 0.40104E-03 ppm1 7.630 ppm2 2.918 CV 1
ASSI { 1171}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HE1 ))
4.500 4.500 1.500 peak 1171 spectrum 3 weight 0.11000E+01 volume 0.32523E-03 ppm1 7.547 ppm2 2.897 CV 1
ASSI { 1172}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 46 and name HA ))
4.000 2.000 2.000 peak 1172 spectrum 3 weight 0.11000E+01 volume 0.53079E-03 ppm1 7.547 ppm2 4.307 CV 1
ASSI { 1173}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 27 and name HA ))
3.600 1.600 1.600 peak 1173 spectrum 3 weight 0.11000E+01 volume 0.11248E-02 ppm1 7.628 ppm2 4.408 CV 1
ASSI { 1175}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HD1%)
3.700 3.700 2.300 peak 1175 spectrum 3 weight 0.11000E+01 volume 0.22622E-02 ppm1 7.543 ppm2 0.902 CV 1
ASSI { 1176}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HN ))
2.800 1.000 1.000 peak 1176 spectrum 3 weight 0.11000E+01 volume 0.21121E-02 ppm1 7.544 ppm2 7.680 CV 1
ASSI { 1202}
(( segid " " and resid 84 and name HD21))
(( segid " " and resid 84 and name HD22))
1.800 0.400 0.400 peak 1202 spectrum 3 weight 0.11000E+01 volume 0.14817E-01 ppm1 7.758 ppm2 6.749 CV 1
ASSI { 1203}
(( segid " " and resid 84 and name HD21))
(( segid " " and resid 85 and name HN ))
2.000 0.500 0.500 peak 1203 spectrum 3 weight 0.11000E+01 volume 0.14105E-01 ppm1 7.758 ppm2 7.756 CV 1
ASSI { 1206}
(( segid " " and resid 84 and name HD22))
(( segid " " and resid 84 and name HB1 ))
4.300 2.300 1.700 peak 1206 spectrum 3 weight 0.11000E+01 volume 0.97860E-03 ppm1 6.753 ppm2 2.937 CV 1
ASSI { 1212}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 72 and name HB ))
4.000 2.000 2.000 peak 1212 spectrum 3 weight 0.11000E+01 volume 0.41574E-03 ppm1 8.757 ppm2 4.631 CV 1
ASSI { 1218}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 91 and name HG12))
4.500 2.500 1.500 peak 1218 spectrum 3 weight 0.11000E+01 volume 0.21059E-03 ppm1 6.939 ppm2 1.194 CV 1
ASSI { 1219}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 90 and name HN ))
5.300 5.300 0.700 peak 1219 spectrum 3 weight 0.11000E+01 volume 0.24835E-03 ppm1 6.946 ppm2 7.648 CV 1
ASSI { 1221}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 41 and name HG1 ))
3.400 3.400 2.600 peak 1221 spectrum 3 weight 0.11000E+01 volume 0.22245E-03 ppm1 6.947 ppm2 2.258 CV 1
ASSI { 1222}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 38 and name HA ))
2.600 0.800 0.800 peak 1222 spectrum 3 weight 0.11000E+01 volume 0.43606E-02 ppm1 8.229 ppm2 4.770 CV 1
ASSI { 1223}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 38 and name HA ))
3.100 1.200 1.200 peak 1223 spectrum 3 weight 0.11000E+01 volume 0.42860E-02 ppm1 6.944 ppm2 4.771 CV 1
ASSI { 1228}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HD21))
1.800 0.400 0.400 peak 1228 spectrum 3 weight 0.11000E+01 volume 0.18081E-01 ppm1 7.737 ppm2 7.739 CV 1
ASSI { 1229}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HA ))
3.800 1.800 1.800 peak 1229 spectrum 3 weight 0.11000E+01 volume 0.65726E-03 ppm1 7.742 ppm2 5.203 CV 1
ASSI { 1231}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.700 0.900 0.900 peak 1231 spectrum 3 weight 0.11000E+01 volume 0.31145E-02 ppm1 7.740 ppm2 4.409 CV 1
ASSI { 1232}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HD1 ))
3.800 1.800 1.800 peak 1232 spectrum 3 weight 0.11000E+01 volume 0.12136E-02 ppm1 7.740 ppm2 3.590 CV 1
ASSI { 1234}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.900 1.900 1.900 peak 1234 spectrum 3 weight 0.11000E+01 volume 0.15089E-02 ppm1 7.742 ppm2 2.268 CV 1
OR { 1234}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HG1 ))
ASSI { 1236}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.100 3.100 2.900 peak 1236 spectrum 3 weight 0.11000E+01 volume 0.10016E-02 ppm1 7.743 ppm2 1.887 CV 1
ASSI { 1237}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HG2 ))
3.300 3.300 2.700 peak 1237 spectrum 3 weight 0.11000E+01 volume 0.76195E-03 ppm1 7.744 ppm2 1.738 CV 1
ASSI { 1239}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HN ))
3.200 1.300 1.300 peak 1239 spectrum 3 weight 0.11000E+01 volume 0.11069E-02 ppm1 7.774 ppm2 8.267 CV 1
ASSI { 1241}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 87 and name HN ))
4.100 4.100 1.900 peak 1241 spectrum 3 weight 0.11000E+01 volume 0.44490E-03 ppm1 7.775 ppm2 8.701 CV 1
ASSI { 1243}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB1 ))
2.700 0.900 0.900 peak 1243 spectrum 3 weight 0.11000E+01 volume 0.41984E-02 ppm1 7.774 ppm2 3.865 CV 1
ASSI { 1244}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 83 and name HA ))
4.100 2.100 1.900 peak 1244 spectrum 3 weight 0.11000E+01 volume 0.54642E-03 ppm1 7.779 ppm2 3.259 CV 1
ASSI { 1247}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
2.800 0.900 0.900 peak 1247 spectrum 3 weight 0.11000E+01 volume 0.26402E-02 ppm1 8.317 ppm2 4.374 CV 1
ASSI { 1248}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB1 ))
2.800 2.800 3.200 peak 1248 spectrum 3 weight 0.11000E+01 volume 0.14688E-02 ppm1 8.307 ppm2 0.735 CV 1
ASSI { 1254}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HN ))
3.000 3.000 3.000 peak 1254 spectrum 3 weight 0.11000E+01 volume 0.16269E-02 ppm1 7.673 ppm2 8.232 CV 1
ASSI { 1255}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
3.200 3.200 2.800 peak 1255 spectrum 3 weight 0.11000E+01 volume 0.12533E-02 ppm1 7.675 ppm2 4.132 CV 1
ASSI { 1256}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
3.800 1.800 1.800 peak 1256 spectrum 3 weight 0.11000E+01 volume 0.57641E-03 ppm1 7.675 ppm2 4.388 CV 1
ASSI { 1257}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 25 and name HA ))
3.700 1.700 1.700 peak 1257 spectrum 3 weight 0.11000E+01 volume 0.73752E-03 ppm1 7.675 ppm2 3.588 CV 1
ASSI { 1258}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
3.900 3.900 2.100 peak 1258 spectrum 3 weight 0.11000E+01 volume 0.94097E-03 ppm1 7.676 ppm2 2.883 CV 1
ASSI { 1259}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB1 ))
3.500 1.600 1.600 peak 1259 spectrum 3 weight 0.11000E+01 volume 0.36106E-02 ppm1 7.675 ppm2 2.071 CV 1
ASSI { 1260}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.900 2.900 3.100 peak 1260 spectrum 3 weight 0.11000E+01 volume 0.12568E-02 ppm1 7.675 ppm2 1.399 CV 1
ASSI { 1261}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 28 and name HD2%)
3.600 3.600 2.400 peak 1261 spectrum 3 weight 0.11000E+01 volume 0.18205E-02 ppm1 7.675 ppm2 0.950 CV 1
ASSI { 1264}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
3.000 3.000 3.000 peak 1264 spectrum 3 weight 0.11000E+01 volume 0.15812E-02 ppm1 8.214 ppm2 3.577 CV 1
ASSI { 1272}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HB1 ))
3.400 1.500 1.500 peak 1272 spectrum 3 weight 0.11000E+01 volume 0.38019E-03 ppm1 8.866 ppm2 3.052 CV 1
ASSI { 1276}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HN ))
3.900 1.900 1.900 peak 1276 spectrum 3 weight 0.11000E+01 volume 0.85959E-03 ppm1 8.601 ppm2 7.819 CV 1
ASSI { 1277}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 65 and name HN ))
4.900 3.000 1.100 peak 1277 spectrum 3 weight 0.11000E+01 volume 0.30488E-03 ppm1 8.602 ppm2 7.293 CV 1
ASSI { 1278}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
2.200 0.600 0.600 peak 1278 spectrum 3 weight 0.11000E+01 volume 0.90733E-02 ppm1 8.601 ppm2 4.529 CV 1
ASSI { 1279}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB1 ))
3.300 3.300 2.700 peak 1279 spectrum 3 weight 0.11000E+01 volume 0.12532E-02 ppm1 8.603 ppm2 3.964 CV 1
OR { 1279}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 1281}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB2 ))
4.500 2.500 1.500 peak 1281 spectrum 3 weight 0.11000E+01 volume 0.80149E-03 ppm1 8.600 ppm2 2.646 CV 1
ASSI { 1284}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB1 ))
4.400 2.400 1.600 peak 1284 spectrum 3 weight 0.11000E+01 volume 0.53258E-03 ppm1 8.604 ppm2 2.763 CV 1
ASSI { 1287}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
2.100 2.100 3.900 peak 1287 spectrum 3 weight 0.11000E+01 volume 0.15848E-01 ppm1 8.219 ppm2 8.222 CV 1
ASSI { 1288}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
3.900 3.900 2.100 peak 1288 spectrum 3 weight 0.11000E+01 volume 0.58323E-03 ppm1 8.222 ppm2 8.428 CV 1
ASSI { 1291}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
3.600 3.600 2.400 peak 1291 spectrum 3 weight 0.11000E+01 volume 0.70269E-03 ppm1 8.219 ppm2 4.372 CV 1
ASSI { 1292}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA1 ))
3.100 1.200 1.200 peak 1292 spectrum 3 weight 0.11000E+01 volume 0.20309E-02 ppm1 8.223 ppm2 3.941 CV 1
ASSI { 1295}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
1.900 0.500 0.500 peak 1295 spectrum 3 weight 0.11000E+01 volume 0.20308E-01 ppm1 8.153 ppm2 8.155 CV 1
ASSI { 1299}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HD1 ))
4.400 4.400 1.600 peak 1299 spectrum 3 weight 0.11000E+01 volume 0.70500E-03 ppm1 8.152 ppm2 3.221 CV 1
ASSI { 1300}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HG2 ))
4.000 2.000 2.000 peak 1300 spectrum 3 weight 0.11000E+01 volume 0.68180E-03 ppm1 8.156 ppm2 2.365 CV 1
ASSI { 1302}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
4.100 2.100 1.900 peak 1302 spectrum 3 weight 0.11000E+01 volume 0.66409E-03 ppm1 8.156 ppm2 1.590 CV 1
ASSI { 1304}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB1 ))
2.900 2.900 3.100 peak 1304 spectrum 3 weight 0.11000E+01 volume 0.24220E-02 ppm1 8.158 ppm2 2.114 CV 1
ASSI { 1306}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 98 and name HN ))
1.800 0.400 0.400 peak 1306 spectrum 3 weight 0.11000E+01 volume 0.27508E-01 ppm1 8.086 ppm2 8.090 CV 1
ASSI { 1313}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 82 and name HD% )
4.400 2.400 1.600 peak 1313 spectrum 3 weight 0.11000E+01 volume 0.94884E-03 ppm1 7.985 ppm2 7.095 CV 1
ASSI { 1316}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 83 and name HN ))
3.000 1.100 1.100 peak 1316 spectrum 3 weight 0.11000E+01 volume 0.15364E-02 ppm1 7.985 ppm2 8.867 CV 1
ASSI { 1318}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB1 ))
2.700 0.900 0.900 peak 1318 spectrum 3 weight 0.11000E+01 volume 0.27483E-02 ppm1 7.986 ppm2 3.278 CV 1
OR { 1318}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB2 ))
ASSI { 1319}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 79 and name HA ))
3.300 1.400 1.400 peak 1319 spectrum 3 weight 0.11000E+01 volume 0.12380E-02 ppm1 7.986 ppm2 3.707 CV 1
ASSI { 1322}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HA ))
3.100 3.100 2.900 peak 1322 spectrum 3 weight 0.11000E+01 volume 0.18847E-02 ppm1 8.016 ppm2 4.412 CV 1
ASSI { 1323}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HA1 ))
2.900 2.900 3.100 peak 1323 spectrum 3 weight 0.11000E+01 volume 0.28069E-02 ppm1 8.012 ppm2 3.964 CV 1
ASSI { 1325}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 88 and name HA ))
4.000 4.000 2.000 peak 1325 spectrum 3 weight 0.11000E+01 volume 0.42946E-03 ppm1 8.001 ppm2 4.401 CV 1
ASSI { 1327}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HA ))
3.200 1.300 1.300 peak 1327 spectrum 3 weight 0.11000E+01 volume 0.15655E-02 ppm1 7.988 ppm2 4.170 CV 1
ASSI { 1328}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HG1 ))
4.700 2.700 1.300 peak 1328 spectrum 3 weight 0.11000E+01 volume 0.24636E-03 ppm1 7.985 ppm2 2.234 CV 1
ASSI { 1329}
(( segid " " and resid 16 and name HD21))
(( segid " " and resid 15 and name HD2 ))
4.100 2.100 1.900 peak 1329 spectrum 3 weight 0.11000E+01 volume 0.36057E-03 ppm1 7.579 ppm2 7.096 CV 1
ASSI { 1330}
(( segid " " and resid 16 and name HD22))
(( segid " " and resid 15 and name HD2 ))
4.500 2.500 1.500 peak 1330 spectrum 3 weight 0.11000E+01 volume 0.29796E-03 ppm1 6.859 ppm2 7.080 CV 1
ASSI { 1332}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HB1 ))
4.700 2.800 1.300 peak 1332 spectrum 3 weight 0.11000E+01 volume 0.56622E-03 ppm1 8.534 ppm2 2.121 CV 1
ASSI { 1340}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HN ))
4.600 2.600 1.400 peak 1340 spectrum 3 weight 0.11000E+01 volume 0.24888E-03 ppm1 7.570 ppm2 8.198 CV 1
ASSI { 1345}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HG12))
4.700 4.700 1.300 peak 1345 spectrum 3 weight 0.11000E+01 volume 0.45516E-03 ppm1 7.364 ppm2 0.928 CV 1
ASSI { 1349}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HG1 ))
5.700 4.000 0.300 peak 1349 spectrum 3 weight 0.11000E+01 volume 0.29083E-03 ppm1 7.378 ppm2 2.508 CV 1
ASSI { 1355}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HA ))
4.100 4.100 1.900 peak 1355 spectrum 3 weight 0.11000E+01 volume 0.59822E-03 ppm1 8.115 ppm2 3.818 CV 1
ASSI { 1358}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 43 and name HN ))
3.900 1.900 1.900 peak 1358 spectrum 3 weight 0.11000E+01 volume 0.59244E-03 ppm1 7.901 ppm2 8.558 CV 1
ASSI { 1359}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
2.800 2.800 3.200 peak 1359 spectrum 3 weight 0.11000E+01 volume 0.32897E-02 ppm1 7.901 ppm2 3.939 CV 1
ASSI { 1361}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB1 ))
2.500 2.500 3.500 peak 1361 spectrum 3 weight 0.11000E+01 volume 0.48749E-02 ppm1 7.901 ppm2 2.220 CV 1
OR { 1361}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 1362}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
3.200 1.300 1.300 peak 1362 spectrum 3 weight 0.11000E+01 volume 0.17211E-02 ppm1 7.883 ppm2 4.247 CV 1
ASSI { 1363}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 54 and name HA ))
3.600 1.600 1.600 peak 1363 spectrum 3 weight 0.11000E+01 volume 0.58439E-03 ppm1 7.888 ppm2 3.335 CV 1
ASSI { 1364}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG2 ))
3.700 1.700 1.700 peak 1364 spectrum 3 weight 0.11000E+01 volume 0.15915E-02 ppm1 7.897 ppm2 2.463 CV 1
OR { 1364}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG1 ))
ASSI { 1365}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB1 ))
3.100 3.100 2.900 peak 1365 spectrum 3 weight 0.11000E+01 volume 0.44904E-02 ppm1 7.889 ppm2 1.645 CV 1
ASSI { 1368}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
2.800 1.000 1.000 peak 1368 spectrum 3 weight 0.11000E+01 volume 0.19567E-02 ppm1 7.884 ppm2 7.332 CV 1
ASSI { 1370}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 42 and name HA ))
3.200 1.300 1.300 peak 1370 spectrum 3 weight 0.11000E+01 volume 0.13481E-02 ppm1 7.899 ppm2 4.556 CV 1
ASSI { 1371}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 53 and name HA ))
3.900 1.900 1.900 peak 1371 spectrum 3 weight 0.11000E+01 volume 0.70813E-03 ppm1 7.887 ppm2 3.552 CV 1
ASSI { 1372}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
3.000 3.000 3.000 peak 1372 spectrum 3 weight 0.11000E+01 volume 0.17240E-02 ppm1 7.887 ppm2 3.705 CV 1
ASSI { 1373}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
2.800 1.000 1.000 peak 1373 spectrum 3 weight 0.11000E+01 volume 0.22810E-02 ppm1 7.901 ppm2 8.324 CV 1
ASSI { 1374}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 47 and name HN ))
3.400 3.400 2.600 peak 1374 spectrum 3 weight 0.11000E+01 volume 0.22844E-02 ppm1 7.903 ppm2 8.053 CV 1
ASSI { 1375}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HN ))
2.900 1.000 1.000 peak 1375 spectrum 3 weight 0.11000E+01 volume 0.20469E-02 ppm1 7.903 ppm2 7.687 CV 1
ASSI { 1390}
(( segid " " and resid 45 and name HE21))
(( segid " " and resid 45 and name HA ))
4.900 4.900 1.100 peak 1390 spectrum 3 weight 0.11000E+01 volume 0.23451E-03 ppm1 7.843 ppm2 3.936 CV 1
ASSI { 1391}
(( segid " " and resid 45 and name HE22))
(( segid " " and resid 45 and name HA ))
3.500 3.500 2.500 peak 1391 spectrum 3 weight 0.11000E+01 volume 0.19277E-03 ppm1 6.886 ppm2 3.934 CV 1
ASSI { 1393}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HN ))
2.900 1.000 1.000 peak 1393 spectrum 3 weight 0.11000E+01 volume 0.17345E-02 ppm1 8.291 ppm2 8.880 CV 1
ASSI { 1395}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
3.200 1.300 1.300 peak 1395 spectrum 3 weight 0.11000E+01 volume 0.16641E-02 ppm1 8.319 ppm2 3.932 CV 1
ASSI { 1396}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HA ))
3.500 1.500 1.500 peak 1396 spectrum 3 weight 0.11000E+01 volume 0.85172E-03 ppm1 8.320 ppm2 3.642 CV 1
ASSI { 1397}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 42 and name HA ))
3.500 1.600 1.600 peak 1397 spectrum 3 weight 0.11000E+01 volume 0.85750E-03 ppm1 8.319 ppm2 4.544 CV 1
ASSI { 1398}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
2.700 2.700 3.300 peak 1398 spectrum 3 weight 0.11000E+01 volume 0.30978E-02 ppm1 8.320 ppm2 2.751 CV 1
ASSI { 1399}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
3.600 1.600 1.600 peak 1399 spectrum 3 weight 0.11000E+01 volume 0.61240E-03 ppm1 8.308 ppm2 3.337 CV 1
ASSI { 1400}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HA ))
2.900 1.100 1.100 peak 1400 spectrum 3 weight 0.11000E+01 volume 0.22951E-02 ppm1 8.290 ppm2 4.196 CV 1
ASSI { 1402}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB2 ))
3.000 1.100 1.100 peak 1402 spectrum 3 weight 0.11000E+01 volume 0.23644E-02 ppm1 8.291 ppm2 2.757 CV 1
ASSI { 1405}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB1 ))
2.700 0.900 0.900 peak 1405 spectrum 3 weight 0.11000E+01 volume 0.25667E-02 ppm1 8.320 ppm2 3.084 CV 1
ASSI { 1407}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB2 ))
3.000 1.100 1.100 peak 1407 spectrum 3 weight 0.11000E+01 volume 0.26515E-02 ppm1 8.319 ppm2 2.203 CV 1
OR { 1407}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB1 ))
ASSI { 1408}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.900 3.900 2.100 peak 1408 spectrum 3 weight 0.11000E+01 volume 0.66263E-03 ppm1 8.306 ppm2 -0.083 CV 1
ASSI { 1409}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HD22))
6.000 6.000 0.000 peak 1409 spectrum 3 weight 0.11000E+01 volume 0.30132E-03 ppm1 8.300 ppm2 6.772 CV 1
ASSI { 1410}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 82 and name HD% )
5.200 5.200 0.800 peak 1410 spectrum 3 weight 0.11000E+01 volume 0.21280E-03 ppm1 8.293 ppm2 7.048 CV 1
ASSI { 1411}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
2.900 1.100 1.100 peak 1411 spectrum 3 weight 0.11000E+01 volume 0.20995E-02 ppm1 8.319 ppm2 8.100 CV 1
ASSI { 1412}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 48 and name HN ))
3.800 3.800 2.200 peak 1412 spectrum 3 weight 0.11000E+01 volume 0.68967E-03 ppm1 8.318 ppm2 7.561 CV 1
ASSI { 1415}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 29 and name HD1%)
3.600 1.600 1.600 peak 1415 spectrum 3 weight 0.11000E+01 volume 0.19669E-02 ppm1 8.217 ppm2 0.693 CV 1
ASSI { 1416}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HG12))
3.500 1.600 1.600 peak 1416 spectrum 3 weight 0.11000E+01 volume 0.23234E-02 ppm1 8.217 ppm2 0.882 CV 1
ASSI { 1418}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HG1 ))
3.900 1.900 1.900 peak 1418 spectrum 3 weight 0.11000E+01 volume 0.11876E-02 ppm1 8.143 ppm2 2.254 CV 1
ASSI { 1426}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HE1 ))
5.100 3.200 0.900 peak 1426 spectrum 3 weight 0.11000E+01 volume 0.31621E-03 ppm1 7.264 ppm2 2.854 CV 1
ASSI { 1428}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 13 and name HG ))
4.500 2.600 1.500 peak 1428 spectrum 3 weight 0.11000E+01 volume 0.31705E-03 ppm1 8.855 ppm2 1.772 CV 1
ASSI { 1431}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 53 and name HG2%)
4.500 2.500 1.500 peak 1431 spectrum 3 weight 0.11000E+01 volume 0.33865E-03 ppm1 8.025 ppm2 0.935 CV 1
ASSI { 1432}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 53 and name HD1%)
4.700 4.700 1.300 peak 1432 spectrum 3 weight 0.11000E+01 volume 0.38321E-03 ppm1 8.024 ppm2 0.762 CV 1
ASSI { 1433}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 53 and name HG11))
5.000 5.000 1.000 peak 1433 spectrum 3 weight 0.11000E+01 volume 0.20315E-03 ppm1 8.025 ppm2 1.892 CV 1
ASSI { 1434}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HD2 ))
5.100 3.200 0.900 peak 1434 spectrum 3 weight 0.11000E+01 volume 0.29356E-03 ppm1 8.227 ppm2 7.097 CV 1
ASSI { 1436}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HD21))
5.000 5.000 1.000 peak 1436 spectrum 3 weight 0.11000E+01 volume 0.22654E-03 ppm1 8.227 ppm2 7.522 CV 1
ASSI { 1437}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HB1 ))
4.400 2.400 1.600 peak 1437 spectrum 3 weight 0.11000E+01 volume 0.49786E-03 ppm1 8.225 ppm2 1.895 CV 1
ASSI { 1438}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 17 and name HN ))
4.200 2.200 1.800 peak 1438 spectrum 3 weight 0.11000E+01 volume 0.33142E-03 ppm1 8.224 ppm2 8.860 CV 1
ASSI { 1439}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 13 and name HD2%)
5.200 3.400 0.800 peak 1439 spectrum 3 weight 0.11000E+01 volume 0.19570E-03 ppm1 8.227 ppm2 0.892 CV 1
ASSI { 1441}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HD22))
5.900 4.400 0.100 peak 1441 spectrum 3 weight 0.11000E+01 volume 0.21573E-03 ppm1 8.104 ppm2 7.364 CV 1
ASSI { 1442}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HD21))
5.200 3.400 0.800 peak 1442 spectrum 3 weight 0.11000E+01 volume 0.22056E-03 ppm1 8.103 ppm2 7.548 CV 1
ASSI { 1}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 13 and name HB2 ))
3.100 1.200 1.200 peak 1 spectrum 4 weight 0.11000E+01 volume 0.57861E-02 ppm1 7.182 ppm2 1.762 CV 1
ASSI { 7}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 13 and name HB1 ))
3.100 1.200 1.200 peak 7 spectrum 4 weight 0.11000E+01 volume 0.98774E-03 ppm1 7.179 ppm2 1.885 CV 1
ASSI { 9}
(( segid " " and resid 17 and name HD1 ))
( segid " " and resid 13 and name HD1%)
2.800 2.800 3.200 peak 9 spectrum 4 weight 0.11000E+01 volume 0.32050E-02 ppm1 7.183 ppm2 0.967 CV 1
ASSI { 10}
(( segid " " and resid 17 and name HD1 ))
( segid " " and resid 13 and name HD2%)
2.600 0.800 0.800 peak 10 spectrum 4 weight 0.11000E+01 volume 0.49700E-02 ppm1 7.181 ppm2 0.887 CV 1
ASSI { 11}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 17 and name HZ3 ))
3.600 1.600 1.600 peak 11 spectrum 4 weight 0.11000E+01 volume 0.15982E-02 ppm1 6.982 ppm2 6.394 CV 1
ASSI { 14}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 68 and name HD1 ))
3.800 1.800 1.800 peak 14 spectrum 4 weight 0.11000E+01 volume 0.67636E-03 ppm1 6.989 ppm2 3.135 CV 1
ASSI { 15}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 67 and name HA ))
3.000 1.100 1.100 peak 15 spectrum 4 weight 0.11000E+01 volume 0.15822E-02 ppm1 6.970 ppm2 2.802 CV 1
ASSI { 27}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 75 and name HE1 ))
3.800 1.800 1.800 peak 27 spectrum 4 weight 0.11000E+01 volume 0.59479E-03 ppm1 6.385 ppm2 3.115 CV 1
ASSI { 33}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 86 and name HB1 ))
3.600 1.600 1.600 peak 33 spectrum 4 weight 0.11000E+01 volume 0.19855E-02 ppm1 6.742 ppm2 2.799 CV 1
ASSI { 35}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 86 and name HB2 ))
3.700 1.700 1.700 peak 35 spectrum 4 weight 0.11000E+01 volume 0.15009E-02 ppm1 6.749 ppm2 2.263 CV 1
ASSI { 36}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 90 and name HG11))
3.500 1.500 1.500 peak 36 spectrum 4 weight 0.11000E+01 volume 0.10460E-02 ppm1 6.748 ppm2 1.383 CV 1
ASSI { 37}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 90 and name HG12))
3.400 1.500 1.500 peak 37 spectrum 4 weight 0.11000E+01 volume 0.12472E-02 ppm1 6.740 ppm2 1.196 CV 1
ASSI { 39}
( segid " " and resid 86 and name HE% )
( segid " " and resid 50 and name HD1%)
2.300 2.300 3.700 peak 39 spectrum 4 weight 0.11000E+01 volume 0.28557E-02 ppm1 6.746 ppm2 0.448 CV 1
ASSI { 40}
( segid " " and resid 86 and name HE% )
( segid " " and resid 53 and name HG2%)
2.100 2.100 3.900 peak 40 spectrum 4 weight 0.11000E+01 volume 0.43520E-02 ppm1 6.744 ppm2 0.946 CV 1
ASSI { 44}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 50 and name HA ))
3.800 1.800 1.800 peak 44 spectrum 4 weight 0.11000E+01 volume 0.41961E-03 ppm1 6.751 ppm2 3.270 CV 1
ASSI { 45}
(( segid " " and resid 17 and name HH2 ))
( segid " " and resid 21 and name HD% )
4.500 4.500 1.500 peak 45 spectrum 4 weight 0.11000E+01 volume 0.44759E-03 ppm1 6.899 ppm2 7.545 CV 1
ASSI { 46}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 17 and name HE3 ))
4.100 2.100 1.900 peak 46 spectrum 4 weight 0.11000E+01 volume 0.76397E-03 ppm1 6.918 ppm2 7.340 CV 1
ASSI { 49}
(( segid " " and resid 17 and name HH2 ))
( segid " " and resid 20 and name HD% )
4.700 4.700 1.300 peak 49 spectrum 4 weight 0.11000E+01 volume 0.52684E-03 ppm1 6.917 ppm2 6.635 CV 1
ASSI { 50}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 68 and name HD1 ))
2.900 1.000 1.000 peak 50 spectrum 4 weight 0.11000E+01 volume 0.25117E-02 ppm1 6.923 ppm2 3.130 CV 1
ASSI { 52}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 68 and name HD2 ))
3.000 1.100 1.100 peak 52 spectrum 4 weight 0.11000E+01 volume 0.13514E-02 ppm1 6.928 ppm2 1.747 CV 1
ASSI { 58}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 20 and name HA ))
2.600 0.800 0.800 peak 58 spectrum 4 weight 0.11000E+01 volume 0.43133E-02 ppm1 6.643 ppm2 4.290 CV 1
ASSI { 60}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 20 and name HB2 ))
2.700 0.900 0.900 peak 60 spectrum 4 weight 0.11000E+01 volume 0.32840E-02 ppm1 6.651 ppm2 2.923 CV 1
ASSI { 65}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 20 and name HA ))
4.600 2.600 1.400 peak 65 spectrum 4 weight 0.11000E+01 volume 0.43860E-03 ppm1 6.886 ppm2 4.282 CV 1
ASSI { 70}
( segid " " and resid 21 and name HD% )
( segid " " and resid 54 and name HD1%)
3.700 1.800 1.800 peak 70 spectrum 4 weight 0.11000E+01 volume 0.71000E-03 ppm1 7.515 ppm2 0.219 CV 1
ASSI { 71}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 54 and name HB1 ))
3.400 1.400 1.400 peak 71 spectrum 4 weight 0.11000E+01 volume 0.94511E-03 ppm1 7.512 ppm2 0.689 CV 1
ASSI { 84}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 24 and name HA ))
3.300 1.400 1.400 peak 84 spectrum 4 weight 0.11000E+01 volume 0.30309E-02 ppm1 7.006 ppm2 5.199 CV 1
ASSI { 86}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 24 and name HB2 ))
2.500 0.800 0.800 peak 86 spectrum 4 weight 0.11000E+01 volume 0.47858E-02 ppm1 6.998 ppm2 2.899 CV 1
ASSI { 88}
( segid " " and resid 24 and name HD% )
( segid " " and resid 71 and name HD1%)
4.400 2.400 1.600 peak 88 spectrum 4 weight 0.11000E+01 volume 0.42260E-03 ppm1 6.995 ppm2 0.039 CV 1
ASSI { 94}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 21 and name HA ))
3.000 1.100 1.100 peak 94 spectrum 4 weight 0.11000E+01 volume 0.19635E-02 ppm1 6.628 ppm2 4.137 CV 1
ASSI { 95}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 35 and name HA ))
3.500 3.500 2.500 peak 95 spectrum 4 weight 0.11000E+01 volume 0.25103E-02 ppm1 7.138 ppm2 3.712 CV 1
ASSI { 103}
( segid " " and resid 82 and name HD% )
(( segid " " and resid 82 and name HB2 ))
2.500 0.800 0.800 peak 103 spectrum 4 weight 0.11000E+01 volume 0.56865E-02 ppm1 7.081 ppm2 3.269 CV 1
ASSI { 117}
( segid " " and resid 86 and name HD% )
(( segid " " and resid 86 and name HB2 ))
2.700 0.900 0.900 peak 117 spectrum 4 weight 0.11000E+01 volume 0.44643E-02 ppm1 6.784 ppm2 2.261 CV 1
ASSI { 118}
( segid " " and resid 86 and name HD% )
( segid " " and resid 53 and name HG2%)
2.400 2.400 3.600 peak 118 spectrum 4 weight 0.11000E+01 volume 0.19196E-02 ppm1 6.787 ppm2 0.944 CV 1
ASSI { 120}
( segid " " and resid 86 and name HD% )
( segid " " and resid 50 and name HD1%)
2.400 2.400 3.600 peak 120 spectrum 4 weight 0.11000E+01 volume 0.17327E-02 ppm1 6.784 ppm2 0.463 CV 1
OR { 120}
( segid " " and resid 86 and name HE% )
( segid " " and resid 50 and name HD1%)
ASSI { 122}
( segid " " and resid 86 and name HD% )
(( segid " " and resid 50 and name HA ))
3.400 1.400 1.400 peak 122 spectrum 4 weight 0.11000E+01 volume 0.10714E-02 ppm1 6.783 ppm2 3.269 CV 1
ASSI { 127}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 40 and name HB1 ))
2.800 1.000 1.000 peak 127 spectrum 4 weight 0.11000E+01 volume 0.50204E-02 ppm1 7.067 ppm2 3.310 CV 1
ASSI { 128}
(( segid " " and resid 77 and name HD2 ))
(( segid " " and resid 77 and name HB1 ))
3.100 1.200 1.200 peak 128 spectrum 4 weight 0.11000E+01 volume 0.18896E-02 ppm1 7.088 ppm2 3.192 CV 1
ASSI { 132}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HA ))
3.200 1.300 1.300 peak 132 spectrum 4 weight 0.11000E+01 volume 0.23558E-02 ppm1 7.077 ppm2 4.396 CV 1
ASSI { 133}
(( segid " " and resid 15 and name HD2 ))
(( segid " " and resid 15 and name HB1 ))
2.600 0.900 0.900 peak 133 spectrum 4 weight 0.11000E+01 volume 0.34938E-02 ppm1 7.075 ppm2 3.297 CV 1
ASSI { 141}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 38 and name HB2 ))
3.500 3.500 2.500 peak 141 spectrum 4 weight 0.11000E+01 volume 0.18410E-02 ppm1 7.128 ppm2 3.047 CV 1
ASSI { 143}
( segid " " and resid 21 and name HE% )
( segid " " and resid 55 and name HG2%)
3.800 1.800 1.800 peak 143 spectrum 4 weight 0.11000E+01 volume 0.12069E-02 ppm1 7.332 ppm2 1.371 CV 1
ASSI { 149}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 38 and name HB1 ))
3.100 3.100 2.900 peak 149 spectrum 4 weight 0.11000E+01 volume 0.37367E-02 ppm1 7.130 ppm2 3.200 CV 1
ASSI { 150}
( segid " " and resid 24 and name HE% )
( segid " " and resid 71 and name HD1%)
6.000 5.700 0.000 peak 150 spectrum 4 weight 0.11000E+01 volume 0.32303E-04 ppm1 6.618 ppm2 0.023 CV 1
ASSI { 152}
( segid " " and resid 20 and name HE% )
( segid " " and resid 71 and name HD2%)
3.400 3.400 2.600 peak 152 spectrum 4 weight 0.11000E+01 volume 0.14190E-02 ppm1 6.880 ppm2 0.409 CV 1
ASSI { 154}
(( segid " " and resid 24 and name HZ ))
( segid " " and resid 71 and name HD1%)
4.300 4.300 1.700 peak 154 spectrum 4 weight 0.11000E+01 volume 0.40529E-03 ppm1 7.158 ppm2 0.011 CV 1
ASSI { 155}
( segid " " and resid 20 and name HE% )
( segid " " and resid 71 and name HD1%)
4.600 4.600 1.400 peak 155 spectrum 4 weight 0.11000E+01 volume 0.35967E-03 ppm1 6.878 ppm2 0.011 CV 1
ASSI { 157}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 51 and name HA ))
3.200 1.300 1.300 peak 157 spectrum 4 weight 0.11000E+01 volume 0.85187E-03 ppm1 7.499 ppm2 3.153 CV 1
ASSI { 162}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 50 and name HB ))
3.600 1.600 1.600 peak 162 spectrum 4 weight 0.11000E+01 volume 0.48854E-03 ppm1 6.743 ppm2 1.613 CV 1
ASSI { 169}
( segid " " and resid 82 and name HD% )
( segid " " and resid 54 and name HD1%)
3.200 3.200 2.800 peak 169 spectrum 4 weight 0.11000E+01 volume 0.10850E-02 ppm1 7.078 ppm2 0.194 CV 1
ASSI { 175}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 67 and name HA ))
3.600 1.700 1.700 peak 175 spectrum 4 weight 0.11000E+01 volume 0.86355E-03 ppm1 6.384 ppm2 2.782 CV 1
ASSI { 178}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 20 and name HB1 ))
4.200 2.200 1.800 peak 178 spectrum 4 weight 0.11000E+01 volume 0.79828E-03 ppm1 6.873 ppm2 3.152 CV 1
ASSI { 184}
( segid " " and resid 82 and name HD% )
(( segid " " and resid 79 and name HA ))
2.800 2.800 3.200 peak 184 spectrum 4 weight 0.11000E+01 volume 0.27931E-02 ppm1 7.085 ppm2 3.697 CV 1
ASSI { 185}
( segid " " and resid 21 and name HD% )
( segid " " and resid 79 and name HG2%)
4.600 4.600 1.400 peak 185 spectrum 4 weight 0.11000E+01 volume 0.51121E-03 ppm1 7.546 ppm2 0.996 CV 1
ASSI { 186}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 79 and name HA ))
5.500 3.800 0.500 peak 186 spectrum 4 weight 0.11000E+01 volume 0.27475E-03 ppm1 6.613 ppm2 3.713 CV 1
ASSI { 187}
(( segid " " and resid 24 and name HZ ))
(( segid " " and resid 79 and name HA ))
4.600 2.700 1.400 peak 187 spectrum 4 weight 0.11000E+01 volume 0.89782E-03 ppm1 7.170 ppm2 3.705 CV 1
ASSI { 188}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 65 and name HG1 ))
3.400 1.400 1.400 peak 188 spectrum 4 weight 0.11000E+01 volume 0.13867E-02 ppm1 6.974 ppm2 1.812 CV 1
ASSI { 191}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 75 and name HE1 ))
3.400 1.500 1.500 peak 191 spectrum 4 weight 0.11000E+01 volume 0.11793E-02 ppm1 6.873 ppm2 3.113 CV 1
ASSI { 1}
(( segid " " and resid 21 and name HZ ))
( segid " " and resid 21 and name HE% )
2.000 0.500 0.500 peak 1 spectrum 5 weight 0.11000E+01 volume 0.95570E-02 ppm1 7.554 ppm2 7.321 CV 1
ASSI { 1}
( segid " " and resid 21 and name HD% )
( segid " " and resid 21 and name HE% )
2.100 0.500 0.500 peak 1 spectrum 5 weight 0.11000E+01 volume 0.95693E-02 ppm1 7.515 ppm2 7.321 CV 1
ASSI { 4}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HZ3 ))
2.400 0.700 0.700 peak 4 spectrum 5 weight 0.11000E+01 volume 0.44498E-02 ppm1 7.346 ppm2 6.393 CV 1
ASSI { 6}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 17 and name HE3 ))
2.600 0.800 0.800 peak 6 spectrum 5 weight 0.11000E+01 volume 0.37948E-02 ppm1 6.650 ppm2 7.343 CV 1
ASSI { 8}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 17 and name HH2 ))
2.300 0.700 0.700 peak 8 spectrum 5 weight 0.11000E+01 volume 0.57256E-02 ppm1 6.395 ppm2 6.914 CV 1
ASSI { 11}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 17 and name HH2 ))
2.200 0.600 0.600 peak 11 spectrum 5 weight 0.11000E+01 volume 0.10330E-01 ppm1 6.976 ppm2 6.916 CV 1
ASSI { 15}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HB1 ))
2.900 1.100 1.100 peak 15 spectrum 5 weight 0.11000E+01 volume 0.12519E-02 ppm1 7.346 ppm2 3.686 CV 1
ASSI { 20}
( segid " " and resid 82 and name HE% )
(( segid " " and resid 82 and name HZ ))
2.100 2.100 3.900 peak 20 spectrum 5 weight 0.11000E+01 volume 0.10976E-01 ppm1 7.132 ppm2 7.316 CV 1
ASSI { 22}
(( segid " " and resid 82 and name HZ ))
( segid " " and resid 82 and name HD% )
3.300 1.300 1.300 peak 22 spectrum 5 weight 0.11000E+01 volume 0.27924E-02 ppm1 7.319 ppm2 7.084 CV 1
ASSI { 24}
(( segid " " and resid 82 and name HZ ))
( segid " " and resid 86 and name HD% )
2.800 1.000 1.000 peak 24 spectrum 5 weight 0.11000E+01 volume 0.27682E-02 ppm1 7.320 ppm2 6.785 CV 1
ASSI { 26}
( segid " " and resid 86 and name HD% )
(( segid " " and resid 86 and name HB1 ))
2.400 0.700 0.700 peak 26 spectrum 5 weight 0.11000E+01 volume 0.42812E-02 ppm1 6.788 ppm2 2.768 CV 1
ASSI { 27}
( segid " " and resid 86 and name HD% )
(( segid " " and resid 86 and name HA ))
2.500 0.800 0.800 peak 27 spectrum 5 weight 0.11000E+01 volume 0.42499E-02 ppm1 6.788 ppm2 3.716 CV 1
ASSI { 28}
(( segid " " and resid 82 and name HZ ))
( segid " " and resid 86 and name HE% )
3.400 1.400 1.400 peak 28 spectrum 5 weight 0.11000E+01 volume 0.11325E-02 ppm1 7.320 ppm2 6.741 CV 1
ASSI { 29}
( segid " " and resid 82 and name HE% )
( segid " " and resid 86 and name HD% )
2.900 2.900 3.100 peak 29 spectrum 5 weight 0.11000E+01 volume 0.21890E-02 ppm1 7.132 ppm2 6.786 CV 1
ASSI { 30}
( segid " " and resid 82 and name HE% )
( segid " " and resid 86 and name HE% )
3.600 3.600 2.400 peak 30 spectrum 5 weight 0.11000E+01 volume 0.10619E-02 ppm1 7.133 ppm2 6.741 CV 1
ASSI { 33}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HB2 ))
2.600 0.800 0.800 peak 33 spectrum 5 weight 0.11000E+01 volume 0.24255E-02 ppm1 7.182 ppm2 3.423 CV 1
ASSI { 34}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HB1 ))
3.600 1.600 1.600 peak 34 spectrum 5 weight 0.11000E+01 volume 0.16883E-02 ppm1 7.181 ppm2 3.691 CV 1
ASSI { 37}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 21 and name HB2 ))
2.400 0.700 0.700 peak 37 spectrum 5 weight 0.11000E+01 volume 0.31494E-02 ppm1 7.516 ppm2 2.953 CV 1
ASSI { 38}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 21 and name HB1 ))
2.700 0.900 0.900 peak 38 spectrum 5 weight 0.11000E+01 volume 0.34096E-02 ppm1 7.516 ppm2 3.078 CV 1
ASSI { 40}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 21 and name HB1 ))
4.500 2.500 1.500 peak 40 spectrum 5 weight 0.11000E+01 volume 0.40749E-03 ppm1 7.323 ppm2 3.077 CV 1
ASSI { 41}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 21 and name HB2 ))
4.600 2.600 1.400 peak 41 spectrum 5 weight 0.11000E+01 volume 0.38665E-03 ppm1 7.323 ppm2 2.953 CV 1
ASSI { 44}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 24 and name HB1 ))
2.400 0.700 0.700 peak 44 spectrum 5 weight 0.11000E+01 volume 0.52654E-02 ppm1 7.014 ppm2 3.097 CV 1
ASSI { 45}
( segid " " and resid 24 and name HD% )
( segid " " and resid 24 and name HE% )
2.000 0.500 0.500 peak 45 spectrum 5 weight 0.11000E+01 volume 0.14468E-01 ppm1 7.013 ppm2 6.628 CV 1
ASSI { 48}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 24 and name HZ ))
2.100 0.500 0.500 peak 48 spectrum 5 weight 0.11000E+01 volume 0.96980E-02 ppm1 6.631 ppm2 7.161 CV 1
ASSI { 50}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 20 and name HB1 ))
2.500 0.800 0.800 peak 50 spectrum 5 weight 0.11000E+01 volume 0.37631E-02 ppm1 6.650 ppm2 3.170 CV 1
ASSI { 51}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 20 and name HB1 ))
3.300 3.300 2.700 peak 51 spectrum 5 weight 0.11000E+01 volume 0.14302E-02 ppm1 7.516 ppm2 3.160 CV 1
ASSI { 53}
( segid " " and resid 20 and name HD% )
( segid " " and resid 20 and name HE% )
2.000 0.500 0.500 peak 53 spectrum 5 weight 0.11000E+01 volume 0.14841E-01 ppm1 6.649 ppm2 6.873 CV 1
ASSI { 54}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 20 and name HZ ))
3.600 1.600 1.600 peak 54 spectrum 5 weight 0.11000E+01 volume 0.13747E-02 ppm1 6.648 ppm2 7.051 CV 1
ASSI { 55}
(( segid " " and resid 20 and name HZ ))
( segid " " and resid 20 and name HE% )
2.100 0.500 0.500 peak 55 spectrum 5 weight 0.11000E+01 volume 0.10326E-01 ppm1 7.054 ppm2 6.874 CV 1
ASSI { 59}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 17 and name HZ3 ))
2.700 0.900 0.900 peak 59 spectrum 5 weight 0.11000E+01 volume 0.23159E-02 ppm1 6.650 ppm2 6.392 CV 1
ASSI { 60}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 17 and name HZ3 ))
2.800 1.000 1.000 peak 60 spectrum 5 weight 0.11000E+01 volume 0.19968E-02 ppm1 6.876 ppm2 6.392 CV 1
ASSI { 62}
(( segid " " and resid 21 and name HZ ))
(( segid " " and resid 17 and name HZ3 ))
2.900 1.000 1.000 peak 62 spectrum 5 weight 0.11000E+01 volume 0.14307E-02 ppm1 7.556 ppm2 6.392 CV 1
ASSI { 64}
( segid " " and resid 20 and name HD% )
( segid " " and resid 21 and name HD% )
2.900 2.900 3.100 peak 64 spectrum 5 weight 0.11000E+01 volume 0.26430E-02 ppm1 6.649 ppm2 7.512 CV 1
ASSI { 66}
(( segid " " and resid 24 and name HZ ))
( segid " " and resid 21 and name HD% )
2.500 0.800 0.800 peak 66 spectrum 5 weight 0.11000E+01 volume 0.27612E-02 ppm1 7.163 ppm2 7.513 CV 1
ASSI { 67}
( segid " " and resid 20 and name HE% )
( segid " " and resid 21 and name HD% )
3.600 1.600 1.600 peak 67 spectrum 5 weight 0.11000E+01 volume 0.10969E-02 ppm1 6.877 ppm2 7.511 CV 1
ASSI { 70}
( segid " " and resid 21 and name HD% )
( segid " " and resid 24 and name HD% )
4.000 2.000 2.000 peak 70 spectrum 5 weight 0.11000E+01 volume 0.89107E-03 ppm1 7.516 ppm2 7.011 CV 1
ASSI { 72}
( segid " " and resid 21 and name HD% )
( segid " " and resid 24 and name HE% )
2.800 1.000 1.000 peak 72 spectrum 5 weight 0.11000E+01 volume 0.31722E-02 ppm1 7.516 ppm2 6.629 CV 1
ASSI { 77}
( segid " " and resid 38 and name HD% )
(( segid " " and resid 38 and name HB2 ))
2.500 0.800 0.800 peak 77 spectrum 5 weight 0.11000E+01 volume 0.24111E-02 ppm1 7.127 ppm2 3.043 CV 1
ASSI { 78}
( segid " " and resid 38 and name HD% )
(( segid " " and resid 38 and name HB1 ))
3.000 1.100 1.100 peak 78 spectrum 5 weight 0.11000E+01 volume 0.16446E-02 ppm1 7.128 ppm2 3.194 CV 1
ASSI { 79}
( segid " " and resid 21 and name HE% )
( segid " " and resid 20 and name HE% )
2.800 2.800 3.200 peak 79 spectrum 5 weight 0.11000E+01 volume 0.17231E-02 ppm1 7.324 ppm2 6.873 CV 1
ASSI { 80}
(( segid " " and resid 24 and name HZ ))
( segid " " and resid 20 and name HE% )
2.900 1.000 1.000 peak 80 spectrum 5 weight 0.11000E+01 volume 0.13617E-02 ppm1 7.164 ppm2 6.874 CV 1
ASSI { 83}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 24 and name HZ ))
3.400 1.400 1.400 peak 83 spectrum 5 weight 0.11000E+01 volume 0.18252E-02 ppm1 7.015 ppm2 7.159 CV 1
ASSI { 84}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 21 and name HZ ))
3.500 1.500 1.500 peak 84 spectrum 5 weight 0.11000E+01 volume 0.68259E-03 ppm1 6.876 ppm2 7.550 CV 1
ASSI { 88}
( segid " " and resid 82 and name HE% )
(( segid " " and resid 50 and name HG12))
3.800 3.800 2.200 peak 88 spectrum 5 weight 0.11000E+01 volume 0.29545E-02 ppm1 7.131 ppm2 0.007 CV 1
ASSI { 90}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 50 and name HG12))
3.100 3.100 2.900 peak 90 spectrum 5 weight 0.11000E+01 volume 0.26129E-02 ppm1 7.013 ppm2 0.024 CV 1
ASSI { 91}
(( segid " " and resid 82 and name HZ ))
( segid " " and resid 54 and name HD2%)
2.500 2.500 3.500 peak 91 spectrum 5 weight 0.11000E+01 volume 0.16789E-02 ppm1 7.321 ppm2 0.010 CV 1
ASSI { 92}
( segid " " and resid 21 and name HE% )
( segid " " and resid 54 and name HD1%)
3.000 1.100 1.100 peak 92 spectrum 5 weight 0.11000E+01 volume 0.17966E-02 ppm1 7.323 ppm2 0.226 CV 1
ASSI { 93}
( segid " " and resid 82 and name HE% )
( segid " " and resid 54 and name HD1%)
3.600 3.600 2.400 peak 93 spectrum 5 weight 0.11000E+01 volume 0.72712E-03 ppm1 7.129 ppm2 0.226 CV 1
ASSI { 95}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 54 and name HB2 ))
4.200 2.200 1.800 peak 95 spectrum 5 weight 0.11000E+01 volume 0.90867E-03 ppm1 7.323 ppm2 -0.096 CV 1
ASSI { 97}
( segid " " and resid 82 and name HE% )
( segid " " and resid 50 and name HD1%)
3.900 3.900 2.100 peak 97 spectrum 5 weight 0.11000E+01 volume 0.87209E-03 ppm1 7.131 ppm2 0.470 CV 1
ASSI { 100}
( segid " " and resid 82 and name HE% )
( segid " " and resid 50 and name HG2%)
3.600 3.600 2.400 peak 100 spectrum 5 weight 0.11000E+01 volume 0.41092E-02 ppm1 7.131 ppm2 0.670 CV 1
ASSI { 102}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 54 and name HB1 ))
2.800 1.000 1.000 peak 102 spectrum 5 weight 0.11000E+01 volume 0.12540E-02 ppm1 7.321 ppm2 0.697 CV 1
ASSI { 104}
(( segid " " and resid 38 and name HZ ))
(( segid " " and resid 43 and name HG11))
3.800 3.800 2.200 peak 104 spectrum 5 weight 0.11000E+01 volume 0.10353E-02 ppm1 7.093 ppm2 1.609 CV 1
ASSI { 108}
( segid " " and resid 86 and name HD% )
( segid " " and resid 82 and name HD% )
2.800 2.800 3.200 peak 108 spectrum 5 weight 0.11000E+01 volume 0.76173E-03 ppm1 6.789 ppm2 7.083 CV 1
ASSI { 111}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 67 and name HB1 ))
4.000 2.000 2.000 peak 111 spectrum 5 weight 0.11000E+01 volume 0.24593E-03 ppm1 6.395 ppm2 0.644 CV 1
ASSI { 112}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 67 and name HB1 ))
3.300 1.400 1.400 peak 112 spectrum 5 weight 0.11000E+01 volume 0.10321E-02 ppm1 6.650 ppm2 0.646 CV 1
ASSI { 113}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 67 and name HB2 ))
3.500 1.600 1.600 peak 113 spectrum 5 weight 0.11000E+01 volume 0.99542E-03 ppm1 6.649 ppm2 0.000 CV 1
ASSI { 114}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 67 and name HB1 ))
4.300 2.300 1.700 peak 114 spectrum 5 weight 0.11000E+01 volume 0.35742E-03 ppm1 6.876 ppm2 0.646 CV 1
ASSI { 115}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 67 and name HB1 ))
4.800 2.800 1.200 peak 115 spectrum 5 weight 0.11000E+01 volume 0.17664E-03 ppm1 6.916 ppm2 0.641 CV 1
ASSI { 116}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 67 and name HB1 ))
3.700 1.700 1.700 peak 116 spectrum 5 weight 0.11000E+01 volume 0.30960E-03 ppm1 7.346 ppm2 0.644 CV 1
ASSI { 117}
(( segid " " and resid 21 and name HZ ))
(( segid " " and resid 54 and name HB2 ))
4.600 2.600 1.400 peak 117 spectrum 5 weight 0.11000E+01 volume 0.68296E-03 ppm1 7.555 ppm2 -0.095 CV 1
ASSI { 119}
(( segid " " and resid 21 and name HZ ))
( segid " " and resid 54 and name HD2%)
3.300 1.300 1.300 peak 119 spectrum 5 weight 0.11000E+01 volume 0.63425E-03 ppm1 7.555 ppm2 0.006 CV 1
ASSI { 120}
( segid " " and resid 21 and name HD% )
( segid " " and resid 54 and name HD2%)
4.500 2.600 1.500 peak 120 spectrum 5 weight 0.11000E+01 volume 0.64309E-03 ppm1 7.516 ppm2 0.007 CV 1
ASSI { 122}
(( segid " " and resid 21 and name HZ ))
( segid " " and resid 54 and name HD1%)
3.700 1.700 1.700 peak 122 spectrum 5 weight 0.11000E+01 volume 0.49398E-03 ppm1 7.555 ppm2 0.225 CV 1
ASSI { 123}
(( segid " " and resid 21 and name HZ ))
(( segid " " and resid 54 and name HB1 ))
3.700 1.700 1.700 peak 123 spectrum 5 weight 0.11000E+01 volume 0.39716E-03 ppm1 7.556 ppm2 0.706 CV 1
ASSI { 125}
( segid " " and resid 86 and name HD% )
(( segid " " and resid 50 and name HG12))
2.800 2.800 3.200 peak 125 spectrum 5 weight 0.11000E+01 volume 0.78564E-03 ppm1 6.788 ppm2 0.009 CV 1
ASSI { 127}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 50 and name HG12))
3.200 3.200 2.800 peak 127 spectrum 5 weight 0.11000E+01 volume 0.12936E-02 ppm1 6.631 ppm2 0.024 CV 1
ASSI { 128}
( segid " " and resid 21 and name HD% )
( segid " " and resid 71 and name HD2%)
5.100 3.200 0.900 peak 128 spectrum 5 weight 0.11000E+01 volume 0.24140E-03 ppm1 7.515 ppm2 0.421 CV 1
ASSI { 129}
( segid " " and resid 21 and name HE% )
( segid " " and resid 50 and name HD1%)
4.500 4.500 1.500 peak 129 spectrum 5 weight 0.11000E+01 volume 0.34261E-03 ppm1 7.323 ppm2 0.418 CV 1
ASSI { 131}
(( segid " " and resid 20 and name HZ ))
( segid " " and resid 71 and name HD2%)
2.700 2.700 3.300 peak 131 spectrum 5 weight 0.11000E+01 volume 0.39041E-02 ppm1 7.055 ppm2 0.419 CV 1
ASSI { 132}
( segid " " and resid 24 and name HD% )
( segid " " and resid 50 and name HD1%)
3.500 3.500 2.500 peak 132 spectrum 5 weight 0.11000E+01 volume 0.10671E-02 ppm1 7.013 ppm2 0.419 CV 1
ASSI { 134}
( segid " " and resid 24 and name HE% )
( segid " " and resid 71 and name HD2%)
3.000 1.100 1.100 peak 134 spectrum 5 weight 0.11000E+01 volume 0.20557E-02 ppm1 6.631 ppm2 0.419 CV 1
ASSI { 137}
( segid " " and resid 71 and name HD1%)
( segid " " and resid 71 and name HD2%)
2.300 0.700 0.700 peak 137 spectrum 5 weight 0.11000E+01 volume 0.98006E-02 ppm1 0.026 ppm2 0.419 CV 1
ASSI { 138}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 71 and name HD2%)
2.800 0.900 0.900 peak 138 spectrum 5 weight 0.11000E+01 volume 0.24319E-02 ppm1 0.797 ppm2 0.419 CV 1
ASSI { 146}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 67 and name HG2 ))
4.900 3.000 1.100 peak 146 spectrum 5 weight 0.11000E+01 volume 0.32355E-03 ppm1 6.651 ppm2 0.195 CV 1
ASSI { 148}
(( segid " " and resid 24 and name HZ ))
( segid " " and resid 54 and name HD1%)
4.900 3.000 1.100 peak 148 spectrum 5 weight 0.11000E+01 volume 0.30726E-03 ppm1 7.164 ppm2 0.225 CV 1
ASSI { 149}
(( segid " " and resid 24 and name HZ ))
(( segid " " and resid 50 and name HG12))
4.400 4.400 1.600 peak 149 spectrum 5 weight 0.11000E+01 volume 0.34978E-03 ppm1 7.163 ppm2 0.024 CV 1
ASSI { 156}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 43 and name HG11))
3.200 3.200 2.800 peak 156 spectrum 5 weight 0.11000E+01 volume 0.36193E-02 ppm1 7.182 ppm2 1.606 CV 1
ASSI { 157}
(( segid " " and resid 38 and name HZ ))
(( segid " " and resid 43 and name HG12))
3.500 1.500 1.500 peak 157 spectrum 5 weight 0.11000E+01 volume 0.13109E-02 ppm1 7.092 ppm2 1.200 CV 1
ASSI { 159}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 43 and name HG12))
3.400 1.500 1.500 peak 159 spectrum 5 weight 0.11000E+01 volume 0.10334E-02 ppm1 7.180 ppm2 1.199 CV 1
ASSI { 160}
(( segid " " and resid 38 and name HZ ))
( segid " " and resid 43 and name HD1%)
3.800 3.800 2.200 peak 160 spectrum 5 weight 0.11000E+01 volume 0.17608E-02 ppm1 7.095 ppm2 0.718 CV 1
ASSI { 161}
( segid " " and resid 38 and name HE% )
( segid " " and resid 43 and name HD1%)
4.200 4.200 1.800 peak 161 spectrum 5 weight 0.11000E+01 volume 0.13616E-02 ppm1 7.179 ppm2 0.718 CV 1
ASSI { 162}
(( segid " " and resid 38 and name HZ ))
( segid " " and resid 38 and name HE% )
2.200 0.600 0.600 peak 162 spectrum 5 weight 0.11000E+01 volume 0.69993E-02 ppm1 7.097 ppm2 7.173 CV 1
ASSI { 163}
( segid " " and resid 86 and name HD% )
( segid " " and resid 90 and name HD1%)
3.100 3.100 2.900 peak 163 spectrum 5 weight 0.11000E+01 volume 0.24106E-02 ppm1 6.787 ppm2 0.718 CV 1
ASSI { 165}
( segid " " and resid 86 and name HD% )
( segid " " and resid 90 and name HG2%)
4.200 4.200 1.800 peak 165 spectrum 5 weight 0.11000E+01 volume 0.11693E-02 ppm1 6.788 ppm2 0.795 CV 1
ASSI { 166}
( segid " " and resid 86 and name HE% )
( segid " " and resid 90 and name HG2%)
4.100 4.100 1.900 peak 166 spectrum 5 weight 0.11000E+01 volume 0.18996E-02 ppm1 6.741 ppm2 0.798 CV 1
ASSI { 171}
( segid " " and resid 86 and name HD% )
(( segid " " and resid 87 and name HG2 ))
3.800 3.800 2.200 peak 171 spectrum 5 weight 0.11000E+01 volume 0.86638E-03 ppm1 6.788 ppm2 2.509 CV 1
ASSI { 173}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 34 and name HG1 ))
4.400 2.500 1.600 peak 173 spectrum 5 weight 0.11000E+01 volume 0.26154E-03 ppm1 7.178 ppm2 2.503 CV 1
ASSI { 181}
(( segid " " and resid 38 and name HZ ))
(( segid " " and resid 43 and name HA ))
3.600 1.600 1.600 peak 181 spectrum 5 weight 0.11000E+01 volume 0.89383E-03 ppm1 7.095 ppm2 3.697 CV 1
ASSI { 184}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB1 ))
2.800 0.900 0.900 peak 184 spectrum 5 weight 0.11000E+01 volume 0.16893E-02 ppm1 4.156 ppm2 3.079 CV 1
ASSI { 185}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
3.000 1.100 1.100 peak 185 spectrum 5 weight 0.11000E+01 volume 0.23706E-02 ppm1 4.156 ppm2 2.953 CV 1
ASSI { 188}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HE% )
4.500 2.500 1.500 peak 188 spectrum 5 weight 0.11000E+01 volume 0.78597E-03 ppm1 4.156 ppm2 7.321 CV 1
ASSI { 190}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 24 and name HD% )
3.300 3.300 2.700 peak 190 spectrum 5 weight 0.11000E+01 volume 0.12674E-02 ppm1 4.155 ppm2 7.010 CV 1
ASSI { 191}
(( segid " " and resid 24 and name HZ ))
(( segid " " and resid 21 and name HA ))
3.500 1.500 1.500 peak 191 spectrum 5 weight 0.11000E+01 volume 0.90383E-03 ppm1 7.164 ppm2 4.153 CV 1
ASSI { 193}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 28 and name HB1 ))
3.400 1.400 1.400 peak 193 spectrum 5 weight 0.11000E+01 volume 0.24803E-02 ppm1 7.014 ppm2 2.057 CV 1
ASSI { 194}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 28 and name HB2 ))
3.300 3.300 2.700 peak 194 spectrum 5 weight 0.11000E+01 volume 0.90800E-03 ppm1 7.013 ppm2 1.384 CV 1
ASSI { 195}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 76 and name HA ))
4.000 2.000 2.000 peak 195 spectrum 5 weight 0.11000E+01 volume 0.14942E-02 ppm1 6.631 ppm2 3.687 CV 1
ASSI { 196}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HE3 ))
2.500 0.800 0.800 peak 196 spectrum 5 weight 0.11000E+01 volume 0.37549E-02 ppm1 4.307 ppm2 7.343 CV 1
ASSI { 199}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 199 spectrum 5 weight 0.11000E+01 volume 0.24481E-02 ppm1 4.306 ppm2 3.684 CV 1
ASSI { 200}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.900 1.100 1.100 peak 200 spectrum 5 weight 0.11000E+01 volume 0.19643E-02 ppm1 4.306 ppm2 3.423 CV 1
ASSI { 202}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.700 0.900 0.900 peak 202 spectrum 5 weight 0.11000E+01 volume 0.54922E-02 ppm1 4.307 ppm2 3.938 CV 1
ASSI { 204}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB1 ))
2.600 0.900 0.900 peak 204 spectrum 5 weight 0.11000E+01 volume 0.65917E-02 ppm1 4.306 ppm2 3.074 CV 1
ASSI { 206}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB2 ))
2.500 0.800 0.800 peak 206 spectrum 5 weight 0.11000E+01 volume 0.39101E-02 ppm1 4.305 ppm2 2.736 CV 1
ASSI { 207}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 67 and name HG2 ))
3.200 1.300 1.300 peak 207 spectrum 5 weight 0.11000E+01 volume 0.23280E-02 ppm1 4.307 ppm2 0.198 CV 1
ASSI { 208}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 67 and name HB2 ))
3.900 1.900 1.900 peak 208 spectrum 5 weight 0.11000E+01 volume 0.10056E-02 ppm1 4.305 ppm2 -0.002 CV 1
ASSI { 210}
( segid " " and resid 20 and name HE% )
( segid " " and resid 54 and name HD1%)
5.200 3.400 0.800 peak 210 spectrum 5 weight 0.11000E+01 volume 0.16488E-03 ppm1 6.879 ppm2 0.228 CV 1
ASSI { 211}
( segid " " and resid 24 and name HE% )
( segid " " and resid 54 and name HD1%)
4.500 2.500 1.500 peak 211 spectrum 5 weight 0.11000E+01 volume 0.36707E-03 ppm1 6.631 ppm2 0.226 CV 1
ASSI { 212}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HG2 ))
5.100 3.300 0.900 peak 212 spectrum 5 weight 0.11000E+01 volume 0.46299E-03 ppm1 4.260 ppm2 0.197 CV 1
ASSI { 216}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 54 and name HD2%)
3.600 1.600 1.600 peak 216 spectrum 5 weight 0.11000E+01 volume 0.12441E-02 ppm1 3.722 ppm2 0.006 CV 1
ASSI { 219}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB2 ))
3.000 1.100 1.100 peak 219 spectrum 5 weight 0.11000E+01 volume 0.24852E-02 ppm1 2.799 ppm2 -0.001 CV 1
ASSI { 220}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB1 ))
2.700 0.900 0.900 peak 220 spectrum 5 weight 0.11000E+01 volume 0.17043E-02 ppm1 2.799 ppm2 0.645 CV 1
ASSI { 221}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 68 and name HD2 ))
2.400 0.700 0.700 peak 221 spectrum 5 weight 0.11000E+01 volume 0.33632E-02 ppm1 2.799 ppm2 1.766 CV 1
ASSI { 222}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 68 and name HD1 ))
2.600 0.900 0.900 peak 222 spectrum 5 weight 0.11000E+01 volume 0.36086E-02 ppm1 2.799 ppm2 3.129 CV 1
ASSI { 223}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 17 and name HH2 ))
3.000 1.100 1.100 peak 223 spectrum 5 weight 0.11000E+01 volume 0.19139E-02 ppm1 2.799 ppm2 6.914 CV 1
ASSI { 226}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 17 and name HE3 ))
4.400 2.400 1.600 peak 226 spectrum 5 weight 0.11000E+01 volume 0.36110E-03 ppm1 2.800 ppm2 7.343 CV 1
ASSI { 227}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
4.800 2.900 1.200 peak 227 spectrum 5 weight 0.11000E+01 volume 0.31625E-03 ppm1 2.805 ppm2 7.179 CV 1
ASSI { 228}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 20 and name HE% )
4.600 2.700 1.400 peak 228 spectrum 5 weight 0.11000E+01 volume 0.39079E-03 ppm1 2.799 ppm2 6.874 CV 1
ASSI { 229}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 20 and name HD% )
4.600 2.700 1.400 peak 229 spectrum 5 weight 0.11000E+01 volume 0.33653E-03 ppm1 2.801 ppm2 6.646 CV 1
ASSI { 231}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HA ))
2.400 0.700 0.700 peak 231 spectrum 5 weight 0.11000E+01 volume 0.48250E-02 ppm1 2.801 ppm2 4.209 CV 1
ASSI { 233}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB1 ))
2.600 0.800 0.800 peak 233 spectrum 5 weight 0.11000E+01 volume 0.32889E-02 ppm1 4.460 ppm2 2.803 CV 1
ASSI { 237}
(( segid " " and resid 16 and name HB1 ))
( segid " " and resid 13 and name HD1%)
4.300 4.300 1.700 peak 237 spectrum 5 weight 0.11000E+01 volume 0.59681E-03 ppm1 2.803 ppm2 0.972 CV 1
ASSI { 238}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 13 and name HD1%)
4.300 2.300 1.700 peak 238 spectrum 5 weight 0.11000E+01 volume 0.25765E-03 ppm1 2.541 ppm2 0.971 CV 1
ASSI { 244}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 244 spectrum 5 weight 0.11000E+01 volume 0.13159E-02 ppm1 4.211 ppm2 2.533 CV 1
ASSI { 249}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.500 0.800 0.800 peak 249 spectrum 5 weight 0.11000E+01 volume 0.47119E-02 ppm1 4.207 ppm2 1.771 CV 1
OR { 249}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HG ))
ASSI { 251}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HB1 ))
2.800 1.000 1.000 peak 251 spectrum 5 weight 0.11000E+01 volume 0.48212E-02 ppm1 4.213 ppm2 2.938 CV 1
ASSI { 252}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 13 and name HD2%)
3.500 1.500 1.500 peak 252 spectrum 5 weight 0.11000E+01 volume 0.16186E-02 ppm1 4.308 ppm2 0.901 CV 1
ASSI { 253}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 13 and name HD1%)
3.300 3.300 2.700 peak 253 spectrum 5 weight 0.11000E+01 volume 0.26979E-02 ppm1 4.307 ppm2 0.973 CV 1
ASSI { 255}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 13 and name HD1%)
2.500 0.800 0.800 peak 255 spectrum 5 weight 0.11000E+01 volume 0.58129E-02 ppm1 4.618 ppm2 0.973 CV 1
ASSI { 256}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB2 ))
2.300 0.700 0.700 peak 256 spectrum 5 weight 0.11000E+01 volume 0.90427E-02 ppm1 4.618 ppm2 3.818 CV 1
ASSI { 257}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB1 ))
2.400 0.700 0.700 peak 257 spectrum 5 weight 0.11000E+01 volume 0.71310E-02 ppm1 4.618 ppm2 3.919 CV 1
ASSI { 258}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 13 and name HG ))
4.300 2.300 1.700 peak 258 spectrum 5 weight 0.11000E+01 volume 0.25296E-03 ppm1 4.618 ppm2 1.771 CV 1
ASSI { 259}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HA ))
3.600 1.600 1.600 peak 259 spectrum 5 weight 0.11000E+01 volume 0.10242E-02 ppm1 4.620 ppm2 4.304 CV 1
ASSI { 262}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
2.700 0.900 0.900 peak 262 spectrum 5 weight 0.11000E+01 volume 0.41492E-02 ppm1 4.275 ppm2 3.201 CV 1
ASSI { 263}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 79 and name HB ))
2.800 1.000 1.000 peak 263 spectrum 5 weight 0.11000E+01 volume 0.22931E-02 ppm1 6.630 ppm2 2.377 CV 1
ASSI { 269}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 79 and name HB ))
3.800 1.800 1.800 peak 269 spectrum 5 weight 0.11000E+01 volume 0.22294E-02 ppm1 3.689 ppm2 2.376 CV 1
ASSI { 270}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB1 ))
3.000 1.100 1.100 peak 270 spectrum 5 weight 0.11000E+01 volume 0.22913E-02 ppm1 3.690 ppm2 1.946 CV 1
ASSI { 271}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 71 and name HD2%)
2.500 0.800 0.800 peak 271 spectrum 5 weight 0.11000E+01 volume 0.30427E-02 ppm1 3.689 ppm2 0.419 CV 1
ASSI { 272}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 71 and name HD1%)
2.700 0.900 0.900 peak 272 spectrum 5 weight 0.11000E+01 volume 0.20932E-02 ppm1 3.689 ppm2 0.024 CV 1
ASSI { 273}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 71 and name HD1%)
4.500 4.500 1.500 peak 273 spectrum 5 weight 0.11000E+01 volume 0.57510E-03 ppm1 5.204 ppm2 0.024 CV 1
ASSI { 274}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 54 and name HD1%)
3.300 1.400 1.400 peak 274 spectrum 5 weight 0.11000E+01 volume 0.79205E-03 ppm1 3.722 ppm2 0.226 CV 1
ASSI { 276}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 82 and name HB1 ))
2.800 1.000 1.000 peak 276 spectrum 5 weight 0.11000E+01 volume 0.16144E-02 ppm1 3.723 ppm2 3.324 CV 1
ASSI { 277}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB ))
2.900 1.000 1.000 peak 277 spectrum 5 weight 0.11000E+01 volume 0.17978E-02 ppm1 3.723 ppm2 2.379 CV 1
ASSI { 280}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 76 and name HA ))
4.700 2.800 1.300 peak 280 spectrum 5 weight 0.11000E+01 volume 0.45527E-03 ppm1 7.013 ppm2 3.687 CV 1
ASSI { 282}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HB2 ))
2.100 0.500 0.500 peak 282 spectrum 5 weight 0.11000E+01 volume 0.43162E-02 ppm1 3.687 ppm2 3.422 CV 1
ASSI { 285}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 38 and name HE% )
3.900 1.900 1.900 peak 285 spectrum 5 weight 0.11000E+01 volume 0.99304E-03 ppm1 4.307 ppm2 7.178 CV 1
ASSI { 287}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HZ3 ))
4.400 2.400 1.600 peak 287 spectrum 5 weight 0.11000E+01 volume 0.49991E-03 ppm1 4.305 ppm2 6.394 CV 1
ASSI { 291}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB2 ))
2.500 0.800 0.800 peak 291 spectrum 5 weight 0.11000E+01 volume 0.74241E-02 ppm1 4.297 ppm2 2.065 CV 1
ASSI { 292}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB1 ))
2.300 0.700 0.700 peak 292 spectrum 5 weight 0.11000E+01 volume 0.58375E-02 ppm1 4.296 ppm2 2.125 CV 1
ASSI { 293}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.500 0.800 0.800 peak 293 spectrum 5 weight 0.11000E+01 volume 0.39869E-02 ppm1 4.297 ppm2 2.926 CV 1
ASSI { 294}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 29 and name HD1%)
4.200 2.200 1.800 peak 294 spectrum 5 weight 0.11000E+01 volume 0.52967E-03 ppm1 4.306 ppm2 0.694 CV 1
ASSI { 297}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 66 and name HB% )
4.500 2.600 1.500 peak 297 spectrum 5 weight 0.11000E+01 volume 0.91240E-03 ppm1 4.305 ppm2 1.195 CV 1
ASSI { 299}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 29 and name HG2%)
4.400 4.400 1.600 peak 299 spectrum 5 weight 0.11000E+01 volume 0.59311E-03 ppm1 4.307 ppm2 0.819 CV 1
ASSI { 300}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB2 ))
2.700 0.900 0.900 peak 300 spectrum 5 weight 0.11000E+01 volume 0.47261E-02 ppm1 4.284 ppm2 2.453 CV 1
ASSI { 303}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB1 ))
3.100 1.200 1.200 peak 303 spectrum 5 weight 0.11000E+01 volume 0.30317E-02 ppm1 4.301 ppm2 3.170 CV 1
ASSI { 307}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 7 and name HG2%)
3.900 3.900 2.100 peak 307 spectrum 5 weight 0.11000E+01 volume 0.10151E-02 ppm1 4.343 ppm2 0.911 CV 1
ASSI { 308}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 308 spectrum 5 weight 0.11000E+01 volume 0.91423E-02 ppm1 4.240 ppm2 3.923 CV 1
ASSI { 310}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HA ))
3.800 1.800 1.800 peak 310 spectrum 5 weight 0.11000E+01 volume 0.56678E-03 ppm1 4.241 ppm2 5.202 CV 1
ASSI { 312}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB2 ))
2.300 0.600 0.600 peak 312 spectrum 5 weight 0.11000E+01 volume 0.66226E-02 ppm1 4.305 ppm2 1.751 CV 1
ASSI { 317}
(( segid " " and resid 68 and name HD1 ))
(( segid " " and resid 68 and name HB2 ))
3.900 1.900 1.900 peak 317 spectrum 5 weight 0.11000E+01 volume 0.12778E-02 ppm1 3.144 ppm2 2.050 CV 1
ASSI { 318}
(( segid " " and resid 68 and name HD1 ))
( segid " " and resid 54 and name HD2%)
3.800 3.800 2.200 peak 318 spectrum 5 weight 0.11000E+01 volume 0.12753E-02 ppm1 3.142 ppm2 0.023 CV 1
ASSI { 320}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 67 and name HB2 ))
3.600 1.600 1.600 peak 320 spectrum 5 weight 0.11000E+01 volume 0.79283E-03 ppm1 1.769 ppm2 0.000 CV 1
ASSI { 322}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB1 ))
2.400 0.700 0.700 peak 322 spectrum 5 weight 0.11000E+01 volume 0.57141E-02 ppm1 5.205 ppm2 3.097 CV 1
ASSI { 323}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
2.400 0.700 0.700 peak 323 spectrum 5 weight 0.11000E+01 volume 0.72037E-02 ppm1 5.204 ppm2 2.913 CV 1
ASSI { 325}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 23 and name HB2 ))
4.700 2.700 1.300 peak 325 spectrum 5 weight 0.11000E+01 volume 0.21375E-03 ppm1 5.204 ppm2 3.921 CV 1
ASSI { 326}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 23 and name HB1 ))
4.600 4.600 1.400 peak 326 spectrum 5 weight 0.11000E+01 volume 0.21252E-03 ppm1 5.205 ppm2 3.970 CV 1
ASSI { 328}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HD2 ))
3.700 1.700 1.700 peak 328 spectrum 5 weight 0.11000E+01 volume 0.39791E-03 ppm1 5.204 ppm2 3.347 CV 1
ASSI { 329}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 25 and name HG2%)
5.200 5.200 0.800 peak 329 spectrum 5 weight 0.11000E+01 volume 0.20419E-03 ppm1 5.204 ppm2 0.691 CV 1
ASSI { 332}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 25 and name HG1%)
5.500 5.500 0.500 peak 332 spectrum 5 weight 0.11000E+01 volume 0.14713E-03 ppm1 5.206 ppm2 0.781 CV 1
ASSI { 333}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 71 and name HD2%)
6.000 6.000 0.000 peak 333 spectrum 5 weight 0.11000E+01 volume 0.10334E-03 ppm1 5.204 ppm2 0.419 CV 1
ASSI { 337}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HA ))
2.900 1.000 1.000 peak 337 spectrum 5 weight 0.11000E+01 volume 0.23144E-02 ppm1 1.878 ppm2 3.560 CV 1
ASSI { 345}
(( segid " " and resid 55 and name HB ))
( segid " " and resid 55 and name HG2%)
2.300 0.600 0.600 peak 345 spectrum 5 weight 0.11000E+01 volume 0.62858E-02 ppm1 3.602 ppm2 1.381 CV 1
ASSI { 346}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 25 and name HA ))
2.800 1.000 1.000 peak 346 spectrum 5 weight 0.11000E+01 volume 0.25447E-02 ppm1 1.875 ppm2 3.588 CV 1
ASSI { 347}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HD2 ))
3.400 1.500 1.500 peak 347 spectrum 5 weight 0.11000E+01 volume 0.22922E-02 ppm1 2.261 ppm2 3.347 CV 1
ASSI { 349}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HD1 ))
3.200 1.300 1.300 peak 349 spectrum 5 weight 0.11000E+01 volume 0.17310E-02 ppm1 1.749 ppm2 3.576 CV 1
ASSI { 353}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB1 ))
2.900 1.000 1.000 peak 353 spectrum 5 weight 0.11000E+01 volume 0.18802E-02 ppm1 4.932 ppm2 3.069 CV 1
ASSI { 359}
(( segid " " and resid 33 and name HD2 ))
(( segid " " and resid 32 and name HA ))
2.700 0.900 0.900 peak 359 spectrum 5 weight 0.11000E+01 volume 0.62340E-02 ppm1 3.800 ppm2 4.929 CV 1
ASSI { 360}
(( segid " " and resid 33 and name HD2 ))
(( segid " " and resid 33 and name HG1 ))
2.800 0.900 0.900 peak 360 spectrum 5 weight 0.11000E+01 volume 0.63384E-02 ppm1 3.804 ppm2 2.068 CV 1
ASSI { 361}
(( segid " " and resid 33 and name HD2 ))
(( segid " " and resid 33 and name HG2 ))
2.200 0.600 0.600 peak 361 spectrum 5 weight 0.11000E+01 volume 0.50924E-02 ppm1 3.806 ppm2 1.995 CV 1
ASSI { 363}
(( segid " " and resid 33 and name HD1 ))
(( segid " " and resid 33 and name HG1 ))
1.900 0.500 0.500 peak 363 spectrum 5 weight 0.11000E+01 volume 0.13460E-01 ppm1 4.028 ppm2 2.081 CV 1
ASSI { 364}
(( segid " " and resid 33 and name HD1 ))
(( segid " " and resid 33 and name HG2 ))
2.600 0.800 0.800 peak 364 spectrum 5 weight 0.11000E+01 volume 0.62705E-02 ppm1 4.028 ppm2 2.010 CV 1
ASSI { 365}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HG2 ))
5.500 3.800 0.500 peak 365 spectrum 5 weight 0.11000E+01 volume 0.36369E-03 ppm1 4.933 ppm2 2.007 CV 1
ASSI { 374}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HD2 ))
4.300 2.300 1.700 peak 374 spectrum 5 weight 0.11000E+01 volume 0.79488E-03 ppm1 2.413 ppm2 3.796 CV 1
ASSI { 379}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 43 and name HB ))
5.300 3.600 0.700 peak 379 spectrum 5 weight 0.11000E+01 volume 0.34039E-03 ppm1 4.798 ppm2 2.044 CV 1
ASSI { 382}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB1 ))
2.200 0.600 0.600 peak 382 spectrum 5 weight 0.11000E+01 volume 0.89834E-02 ppm1 4.785 ppm2 2.447 CV 1
OR { 382}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB2 ))
ASSI { 383}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 71 and name HD1%)
5.400 5.400 0.600 peak 383 spectrum 5 weight 0.11000E+01 volume 0.17693E-03 ppm1 4.786 ppm2 0.027 CV 1
ASSI { 384}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 71 and name HD2%)
5.300 5.300 0.700 peak 384 spectrum 5 weight 0.11000E+01 volume 0.17827E-03 ppm1 4.784 ppm2 0.420 CV 1
ASSI { 385}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HB2 ))
4.800 2.800 1.200 peak 385 spectrum 5 weight 0.11000E+01 volume 0.34165E-03 ppm1 4.786 ppm2 0.796 CV 1
ASSI { 386}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 43 and name HD1%)
5.300 5.300 0.700 peak 386 spectrum 5 weight 0.11000E+01 volume 0.53258E-03 ppm1 4.797 ppm2 0.753 CV 1
ASSI { 387}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 43 and name HG12))
6.000 4.900 0.000 peak 387 spectrum 5 weight 0.11000E+01 volume 0.26838E-03 ppm1 4.797 ppm2 1.205 CV 1
ASSI { 388}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HB1 ))
5.600 3.900 0.400 peak 388 spectrum 5 weight 0.11000E+01 volume 0.24940E-03 ppm1 4.784 ppm2 1.490 CV 1
ASSI { 389}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 37 and name HB1 ))
4.200 2.200 1.800 peak 389 spectrum 5 weight 0.11000E+01 volume 0.24137E-03 ppm1 4.800 ppm2 1.846 CV 1
OR { 389}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 37 and name HB2 ))
ASSI { 395}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB2 ))
2.500 0.800 0.800 peak 395 spectrum 5 weight 0.11000E+01 volume 0.32855E-02 ppm1 4.579 ppm2 0.796 CV 1
ASSI { 396}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HG ))
3.400 1.400 1.400 peak 396 spectrum 5 weight 0.11000E+01 volume 0.14341E-02 ppm1 4.579 ppm2 1.158 CV 1
ASSI { 397}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB1 ))
3.000 1.100 1.100 peak 397 spectrum 5 weight 0.11000E+01 volume 0.19866E-02 ppm1 4.579 ppm2 1.489 CV 1
ASSI { 400}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HG1 ))
3.800 1.800 1.800 peak 400 spectrum 5 weight 0.11000E+01 volume 0.93631E-03 ppm1 4.565 ppm2 2.459 CV 1
OR { 400}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 402}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 45 and name HB1 ))
2.900 2.900 3.100 peak 402 spectrum 5 weight 0.11000E+01 volume 0.24745E-02 ppm1 4.564 ppm2 2.222 CV 1
ASSI { 411}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 24 and name HZ ))
5.300 3.600 0.700 peak 411 spectrum 5 weight 0.11000E+01 volume 0.71425E-03 ppm1 4.784 ppm2 7.163 CV 1
ASSI { 412}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 20 and name HZ ))
5.100 3.200 0.900 peak 412 spectrum 5 weight 0.11000E+01 volume 0.35019E-03 ppm1 4.786 ppm2 7.052 CV 1
ASSI { 413}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 20 and name HE% )
3.000 1.100 1.100 peak 413 spectrum 5 weight 0.11000E+01 volume 0.10046E-02 ppm1 4.785 ppm2 6.874 CV 1
ASSI { 415}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 20 and name HZ ))
2.700 0.900 0.900 peak 415 spectrum 5 weight 0.11000E+01 volume 0.24730E-02 ppm1 4.579 ppm2 7.052 CV 1
ASSI { 416}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 20 and name HE% )
3.300 1.300 1.300 peak 416 spectrum 5 weight 0.11000E+01 volume 0.12740E-02 ppm1 4.579 ppm2 6.874 CV 1
ASSI { 417}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 24 and name HE% )
4.300 2.300 1.700 peak 417 spectrum 5 weight 0.11000E+01 volume 0.23767E-03 ppm1 4.578 ppm2 6.636 CV 1
ASSI { 418}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 38 and name HE% )
5.300 3.500 0.700 peak 418 spectrum 5 weight 0.11000E+01 volume 0.24889E-03 ppm1 4.800 ppm2 7.177 CV 1
ASSI { 419}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HE% )
5.000 5.000 1.000 peak 419 spectrum 5 weight 0.11000E+01 volume 0.34341E-03 ppm1 5.205 ppm2 6.626 CV 1
ASSI { 421}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 38 and name HD% )
4.800 2.900 1.200 peak 421 spectrum 5 weight 0.11000E+01 volume 0.31248E-03 ppm1 4.566 ppm2 7.125 CV 1
ASSI { 424}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 21 and name HD% )
3.000 1.200 1.200 peak 424 spectrum 5 weight 0.11000E+01 volume 0.14927E-02 ppm1 4.403 ppm2 7.513 CV 1
ASSI { 425}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HB1 ))
2.700 0.900 0.900 peak 425 spectrum 5 weight 0.11000E+01 volume 0.33682E-02 ppm1 2.461 ppm2 2.220 CV 1
OR { 425}
(( segid " " and resid 45 and name HG1 ))
(( segid " " and resid 45 and name HB1 ))
ASSI { 426}
(( segid " " and resid 45 and name HG1 ))
(( segid " " and resid 45 and name HB2 ))
2.600 0.900 0.900 peak 426 spectrum 5 weight 0.11000E+01 volume 0.40962E-02 ppm1 2.461 ppm2 2.186 CV 1
OR { 426}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 429}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 42 and name HA ))
4.300 2.300 1.700 peak 429 spectrum 5 weight 0.11000E+01 volume 0.63388E-03 ppm1 3.930 ppm2 4.563 CV 1
ASSI { 431}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB1 ))
2.600 2.600 3.400 peak 431 spectrum 5 weight 0.11000E+01 volume 0.50879E-02 ppm1 3.933 ppm2 2.223 CV 1
ASSI { 433}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 61 and name HA ))
3.400 1.500 1.500 peak 433 spectrum 5 weight 0.11000E+01 volume 0.96331E-03 ppm1 4.536 ppm2 4.037 CV 1
ASSI { 435}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
2.700 0.900 0.900 peak 435 spectrum 5 weight 0.11000E+01 volume 0.40757E-02 ppm1 4.535 ppm2 2.638 CV 1
ASSI { 437}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
2.600 0.800 0.800 peak 437 spectrum 5 weight 0.11000E+01 volume 0.50118E-02 ppm1 4.727 ppm2 2.763 CV 1
ASSI { 443}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB1 ))
2.200 0.600 0.600 peak 443 spectrum 5 weight 0.11000E+01 volume 0.85851E-02 ppm1 4.486 ppm2 4.081 CV 1
ASSI { 444}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 59 and name HA ))
2.500 0.800 0.800 peak 444 spectrum 5 weight 0.11000E+01 volume 0.59196E-02 ppm1 4.486 ppm2 4.050 CV 1
ASSI { 445}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.300 0.700 0.700 peak 445 spectrum 5 weight 0.11000E+01 volume 0.77818E-02 ppm1 4.485 ppm2 3.989 CV 1
ASSI { 451}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HB1 ))
1.800 0.400 0.400 peak 451 spectrum 5 weight 0.11000E+01 volume 0.16268E-01 ppm1 3.992 ppm2 4.081 CV 1
ASSI { 452}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HA ))
4.000 2.000 2.000 peak 452 spectrum 5 weight 0.11000E+01 volume 0.44762E-03 ppm1 4.565 ppm2 3.664 CV 1
ASSI { 453}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HB1 ))
2.500 0.800 0.800 peak 453 spectrum 5 weight 0.11000E+01 volume 0.33613E-02 ppm1 3.668 ppm2 3.074 CV 1
ASSI { 455}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB ))
2.700 0.900 0.900 peak 455 spectrum 5 weight 0.11000E+01 volume 0.31529E-02 ppm1 3.668 ppm2 2.043 CV 1
ASSI { 456}
( segid " " and resid 38 and name HD% )
(( segid " " and resid 43 and name HB ))
4.700 2.800 1.300 peak 456 spectrum 5 weight 0.11000E+01 volume 0.43826E-03 ppm1 7.127 ppm2 2.048 CV 1
ASSI { 459}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HD1%)
3.300 1.300 1.300 peak 459 spectrum 5 weight 0.11000E+01 volume 0.47187E-02 ppm1 3.668 ppm2 0.753 CV 1
ASSI { 460}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HG12))
2.400 0.700 0.700 peak 460 spectrum 5 weight 0.11000E+01 volume 0.24974E-02 ppm1 3.667 ppm2 1.207 CV 1
ASSI { 462}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 59 and name HD1%)
2.500 0.800 0.800 peak 462 spectrum 5 weight 0.11000E+01 volume 0.46683E-02 ppm1 4.485 ppm2 0.893 CV 1
ASSI { 463}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 59 and name HD2%)
4.100 2.100 1.900 peak 463 spectrum 5 weight 0.11000E+01 volume 0.85646E-03 ppm1 4.485 ppm2 0.822 CV 1
ASSI { 464}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 59 and name HB2 ))
3.900 1.900 1.900 peak 464 spectrum 5 weight 0.11000E+01 volume 0.12692E-02 ppm1 4.485 ppm2 1.386 CV 1
ASSI { 465}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 59 and name HB1 ))
3.900 1.900 1.900 peak 465 spectrum 5 weight 0.11000E+01 volume 0.81816E-03 ppm1 4.486 ppm2 1.651 CV 1
ASSI { 466}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 59 and name HG ))
3.600 1.600 1.600 peak 466 spectrum 5 weight 0.11000E+01 volume 0.42939E-03 ppm1 4.486 ppm2 1.555 CV 1
ASSI { 468}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
2.500 0.800 0.800 peak 468 spectrum 5 weight 0.11000E+01 volume 0.38735E-02 ppm1 4.044 ppm2 1.372 CV 1
ASSI { 474}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HB2 ))
1.600 0.300 0.600 peak 474 spectrum 5 weight 0.11000E+01 volume 0.27816E-01 ppm1 4.067 ppm2 3.894 CV 1
ASSI { 479}
(( segid " " and resid 8 and name HA ))
( segid " " and resid 7 and name HG2%)
2.700 2.700 3.300 peak 479 spectrum 5 weight 0.11000E+01 volume 0.10617E-02 ppm1 4.455 ppm2 0.914 CV 1
ASSI { 486}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB1 ))
2.500 0.800 0.800 peak 486 spectrum 5 weight 0.11000E+01 volume 0.68173E-02 ppm1 4.411 ppm2 3.321 CV 1
ASSI { 487}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB ))
2.700 0.900 0.900 peak 487 spectrum 5 weight 0.11000E+01 volume 0.23994E-02 ppm1 4.389 ppm2 3.601 CV 1
ASSI { 495}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.700 0.900 0.900 peak 495 spectrum 5 weight 0.11000E+01 volume 0.50353E-02 ppm1 4.406 ppm2 2.896 CV 1
ASSI { 496}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB1 ))
2.300 0.600 0.600 peak 496 spectrum 5 weight 0.11000E+01 volume 0.53848E-02 ppm1 4.408 ppm2 3.128 CV 1
ASSI { 504}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HD2 ))
3.700 1.700 1.700 peak 504 spectrum 5 weight 0.11000E+01 volume 0.98405E-03 ppm1 4.412 ppm2 3.798 CV 1
ASSI { 505}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HD1 ))
3.300 1.400 1.400 peak 505 spectrum 5 weight 0.11000E+01 volume 0.12079E-02 ppm1 4.413 ppm2 4.033 CV 1
ASSI { 506}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HG2 ))
3.600 1.600 1.600 peak 506 spectrum 5 weight 0.11000E+01 volume 0.26140E-02 ppm1 4.415 ppm2 2.004 CV 1
ASSI { 512}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB2 ))
2.600 0.800 0.800 peak 512 spectrum 5 weight 0.11000E+01 volume 0.49145E-02 ppm1 4.393 ppm2 2.668 CV 1
ASSI { 513}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HB1 ))
2.100 0.500 0.500 peak 513 spectrum 5 weight 0.11000E+01 volume 0.68781E-02 ppm1 2.681 ppm2 2.841 CV 1
ASSI { 518}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB1 ))
2.400 0.700 0.700 peak 518 spectrum 5 weight 0.11000E+01 volume 0.47791E-02 ppm1 4.353 ppm2 2.157 CV 1
ASSI { 527}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HB1 ))
1.900 0.500 0.500 peak 527 spectrum 5 weight 0.11000E+01 volume 0.81514E-02 ppm1 1.945 ppm2 2.156 CV 1
ASSI { 529}
(( segid " " and resid 34 and name HG1 ))
(( segid " " and resid 34 and name HG2 ))
1.700 0.300 0.500 peak 529 spectrum 5 weight 0.11000E+01 volume 0.10210E-01 ppm1 2.501 ppm2 2.269 CV 1
ASSI { 536}
(( segid " " and resid 34 and name HG2 ))
( segid " " and resid 38 and name HD% )
3.800 3.800 2.200 peak 536 spectrum 5 weight 0.11000E+01 volume 0.77419E-03 ppm1 2.271 ppm2 7.127 CV 1
ASSI { 537}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 38 and name HE% )
5.100 5.100 0.900 peak 537 spectrum 5 weight 0.11000E+01 volume 0.23521E-03 ppm1 4.353 ppm2 7.176 CV 1
ASSI { 540}
( segid " " and resid 38 and name HE% )
(( segid " " and resid 34 and name HB1 ))
4.600 2.600 1.400 peak 540 spectrum 5 weight 0.11000E+01 volume 0.58513E-03 ppm1 7.132 ppm2 2.158 CV 1
ASSI { 545}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 86 and name HD% )
4.700 2.800 1.300 peak 545 spectrum 5 weight 0.11000E+01 volume 0.32624E-03 ppm1 4.304 ppm2 6.783 CV 1
ASSI { 547}
(( segid " " and resid 46 and name HB1 ))
( segid " " and resid 86 and name HD% )
5.300 5.300 0.700 peak 547 spectrum 5 weight 0.11000E+01 volume 0.18057E-03 ppm1 3.080 ppm2 6.784 CV 1
ASSI { 552}
(( segid " " and resid 46 and name HB1 ))
( segid " " and resid 38 and name HE% )
3.500 1.600 1.600 peak 552 spectrum 5 weight 0.11000E+01 volume 0.80909E-03 ppm1 3.082 ppm2 7.176 CV 1
ASSI { 556}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HA ))
3.700 1.700 1.700 peak 556 spectrum 5 weight 0.11000E+01 volume 0.83606E-03 ppm1 1.119 ppm2 2.799 CV 1
ASSI { 560}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HA ))
4.100 2.100 1.900 peak 560 spectrum 5 weight 0.11000E+01 volume 0.80052E-03 ppm1 0.201 ppm2 2.799 CV 1
ASSI { 562}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HG2 ))
2.100 0.500 0.500 peak 562 spectrum 5 weight 0.11000E+01 volume 0.87503E-02 ppm1 0.003 ppm2 0.195 CV 1
ASSI { 566}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HD2 ))
3.900 1.900 1.900 peak 566 spectrum 5 weight 0.11000E+01 volume 0.54877E-03 ppm1 0.003 ppm2 2.099 CV 1
ASSI { 568}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 17 and name HA ))
3.400 1.400 1.400 peak 568 spectrum 5 weight 0.11000E+01 volume 0.61717E-03 ppm1 0.648 ppm2 4.300 CV 1
ASSI { 571}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 17 and name HZ3 ))
4.600 2.600 1.400 peak 571 spectrum 5 weight 0.11000E+01 volume 0.41533E-03 ppm1 0.004 ppm2 6.391 CV 1
ASSI { 573}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 17 and name HD1 ))
4.900 3.000 1.100 peak 573 spectrum 5 weight 0.11000E+01 volume 0.27149E-03 ppm1 0.202 ppm2 7.178 CV 1
ASSI { 574}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 17 and name HE3 ))
3.500 1.600 1.600 peak 574 spectrum 5 weight 0.11000E+01 volume 0.18876E-03 ppm1 0.201 ppm2 7.343 CV 1
ASSI { 576}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
4.400 2.400 1.600 peak 576 spectrum 5 weight 0.11000E+01 volume 0.69732E-03 ppm1 0.001 ppm2 7.341 CV 1
ASSI { 581}
(( segid " " and resid 67 and name HB2 ))
( segid " " and resid 20 and name HE% )
4.400 2.400 1.600 peak 581 spectrum 5 weight 0.11000E+01 volume 0.30836E-03 ppm1 -0.001 ppm2 6.876 CV 1
ASSI { 582}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 17 and name HH2 ))
5.100 3.300 0.900 peak 582 spectrum 5 weight 0.11000E+01 volume 0.30783E-03 ppm1 0.004 ppm2 6.914 CV 1
ASSI { 583}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 17 and name HZ2 ))
5.400 3.600 0.600 peak 583 spectrum 5 weight 0.11000E+01 volume 0.23459E-03 ppm1 0.004 ppm2 6.973 CV 1
ASSI { 584}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 17 and name HZ2 ))
4.900 3.000 1.100 peak 584 spectrum 5 weight 0.11000E+01 volume 0.15688E-03 ppm1 0.650 ppm2 6.972 CV 1
ASSI { 586}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 17 and name HA ))
2.900 1.100 1.100 peak 586 spectrum 5 weight 0.11000E+01 volume 0.11586E-02 ppm1 1.119 ppm2 4.304 CV 1
ASSI { 587}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 17 and name HZ3 ))
3.500 1.500 1.500 peak 587 spectrum 5 weight 0.11000E+01 volume 0.49395E-03 ppm1 1.769 ppm2 6.392 CV 1
ASSI { 588}
(( segid " " and resid 68 and name HD2 ))
( segid " " and resid 20 and name HD% )
3.900 3.900 2.100 peak 588 spectrum 5 weight 0.11000E+01 volume 0.36281E-03 ppm1 1.770 ppm2 6.647 CV 1
ASSI { 589}
(( segid " " and resid 68 and name HD2 ))
( segid " " and resid 20 and name HE% )
3.500 3.500 2.500 peak 589 spectrum 5 weight 0.11000E+01 volume 0.64235E-03 ppm1 1.768 ppm2 6.874 CV 1
ASSI { 591}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 17 and name HD1 ))
3.100 1.200 1.200 peak 591 spectrum 5 weight 0.11000E+01 volume 0.32067E-02 ppm1 1.772 ppm2 7.179 CV 1
OR { 591}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 592}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 17 and name HZ2 ))
4.300 2.300 1.700 peak 592 spectrum 5 weight 0.11000E+01 volume 0.56231E-03 ppm1 1.762 ppm2 6.974 CV 1
ASSI { 595}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 24 and name HA ))
4.200 2.200 1.800 peak 595 spectrum 5 weight 0.11000E+01 volume 0.45217E-03 ppm1 3.582 ppm2 5.202 CV 1
ASSI { 596}
(( segid " " and resid 55 and name HB ))
(( segid " " and resid 21 and name HZ ))
4.200 2.200 1.800 peak 596 spectrum 5 weight 0.11000E+01 volume 0.67073E-03 ppm1 3.603 ppm2 7.551 CV 1
ASSI { 597}
(( segid " " and resid 55 and name HB ))
( segid " " and resid 21 and name HD% )
2.700 0.900 0.900 peak 597 spectrum 5 weight 0.11000E+01 volume 0.18623E-02 ppm1 3.602 ppm2 7.513 CV 1
ASSI { 598}
(( segid " " and resid 55 and name HB ))
( segid " " and resid 21 and name HE% )
2.300 0.600 0.600 peak 598 spectrum 5 weight 0.11000E+01 volume 0.61553E-02 ppm1 3.603 ppm2 7.320 CV 1
ASSI { 599}
(( segid " " and resid 55 and name HA ))
( segid " " and resid 21 and name HE% )
3.800 1.800 1.800 peak 599 spectrum 5 weight 0.11000E+01 volume 0.30143E-03 ppm1 4.391 ppm2 7.324 CV 1
ASSI { 603}
( segid " " and resid 55 and name HG2%)
( segid " " and resid 21 and name HD% )
2.400 2.400 3.600 peak 603 spectrum 5 weight 0.11000E+01 volume 0.19666E-02 ppm1 1.381 ppm2 7.512 CV 1
ASSI { 604}
( segid " " and resid 55 and name HG2%)
(( segid " " and resid 21 and name HZ ))
4.400 4.400 1.600 peak 604 spectrum 5 weight 0.11000E+01 volume 0.84121E-03 ppm1 1.382 ppm2 7.553 CV 1
ASSI { 605}
( segid " " and resid 79 and name HG1%)
( segid " " and resid 24 and name HE% )
2.800 1.000 1.000 peak 605 spectrum 5 weight 0.11000E+01 volume 0.24897E-02 ppm1 1.382 ppm2 6.626 CV 1
ASSI { 607}
( segid " " and resid 79 and name HG1%)
( segid " " and resid 54 and name HD1%)
2.600 0.900 0.900 peak 607 spectrum 5 weight 0.11000E+01 volume 0.29475E-02 ppm1 1.381 ppm2 0.226 CV 1
ASSI { 619}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 79 and name HA ))
2.800 1.000 1.000 peak 619 spectrum 5 weight 0.11000E+01 volume 0.56622E-02 ppm1 1.033 ppm2 3.720 CV 1
ASSI { 622}
( segid " " and resid 79 and name HG2%)
(( segid " " and resid 24 and name HZ ))
3.500 1.600 1.600 peak 622 spectrum 5 weight 0.11000E+01 volume 0.12920E-02 ppm1 1.034 ppm2 7.161 CV 1
ASSI { 628}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 24 and name HZ ))
4.300 2.300 1.700 peak 628 spectrum 5 weight 0.11000E+01 volume 0.50648E-03 ppm1 2.378 ppm2 7.162 CV 1
ASSI { 631}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 54 and name HD2%)
3.400 1.500 1.500 peak 631 spectrum 5 weight 0.11000E+01 volume 0.27975E-02 ppm1 -0.092 ppm2 0.006 CV 1
ASSI { 635}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HB1 ))
2.000 0.500 0.500 peak 635 spectrum 5 weight 0.11000E+01 volume 0.42674E-02 ppm1 -0.092 ppm2 0.709 CV 1
ASSI { 639}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HA ))
2.900 1.000 1.000 peak 639 spectrum 5 weight 0.11000E+01 volume 0.19555E-02 ppm1 -0.092 ppm2 3.337 CV 1
ASSI { 640}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 55 and name HB ))
5.500 3.800 0.500 peak 640 spectrum 5 weight 0.11000E+01 volume 0.16139E-03 ppm1 -0.090 ppm2 3.601 CV 1
ASSI { 642}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 21 and name HD% )
4.300 2.300 1.700 peak 642 spectrum 5 weight 0.11000E+01 volume 0.47683E-03 ppm1 -0.091 ppm2 7.512 CV 1
ASSI { 656}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 76 and name HB1 ))
4.000 2.000 2.000 peak 656 spectrum 5 weight 0.11000E+01 volume 0.16703E-02 ppm1 0.422 ppm2 1.933 CV 1
ASSI { 661}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HA ))
3.000 1.100 1.100 peak 661 spectrum 5 weight 0.11000E+01 volume 0.17503E-02 ppm1 0.027 ppm2 4.576 CV 1
ASSI { 667}
( segid " " and resid 71 and name HD2%)
( segid " " and resid 24 and name HD% )
3.400 1.500 1.500 peak 667 spectrum 5 weight 0.11000E+01 volume 0.10347E-02 ppm1 0.421 ppm2 7.011 CV 1
ASSI { 669}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 24 and name HZ ))
3.400 1.400 1.400 peak 669 spectrum 5 weight 0.11000E+01 volume 0.64566E-03 ppm1 0.422 ppm2 7.161 CV 1
ASSI { 673}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 20 and name HZ ))
4.300 4.300 1.700 peak 673 spectrum 5 weight 0.11000E+01 volume 0.39500E-03 ppm1 0.025 ppm2 7.051 CV 1
ASSI { 683}
(( segid " " and resid 71 and name HB1 ))
(( segid " " and resid 71 and name HG ))
2.400 0.700 0.700 peak 683 spectrum 5 weight 0.11000E+01 volume 0.52994E-02 ppm1 1.496 ppm2 1.156 CV 1
ASSI { 686}
(( segid " " and resid 71 and name HG ))
(( segid " " and resid 71 and name HB2 ))
2.700 0.900 0.900 peak 686 spectrum 5 weight 0.11000E+01 volume 0.21441E-02 ppm1 1.160 ppm2 0.795 CV 1
ASSI { 689}
(( segid " " and resid 71 and name HB1 ))
( segid " " and resid 24 and name HD% )
5.300 3.500 0.700 peak 689 spectrum 5 weight 0.11000E+01 volume 0.24927E-03 ppm1 1.494 ppm2 7.011 CV 1
ASSI { 690}
(( segid " " and resid 71 and name HB1 ))
( segid " " and resid 20 and name HE% )
5.500 3.800 0.500 peak 690 spectrum 5 weight 0.11000E+01 volume 0.22797E-03 ppm1 1.493 ppm2 6.875 CV 1
ASSI { 691}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 20 and name HE% )
4.300 4.300 1.700 peak 691 spectrum 5 weight 0.11000E+01 volume 0.42081E-03 ppm1 0.799 ppm2 6.875 CV 1
ASSI { 692}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 24 and name HD% )
3.400 1.500 1.500 peak 692 spectrum 5 weight 0.11000E+01 volume 0.45661E-03 ppm1 0.791 ppm2 7.011 CV 1
ASSI { 693}
(( segid " " and resid 71 and name HB1 ))
(( segid " " and resid 20 and name HZ ))
5.100 3.200 0.900 peak 693 spectrum 5 weight 0.11000E+01 volume 0.24901E-03 ppm1 1.492 ppm2 7.050 CV 1
ASSI { 694}
(( segid " " and resid 71 and name HB1 ))
( segid " " and resid 20 and name HD% )
3.800 3.800 2.200 peak 694 spectrum 5 weight 0.11000E+01 volume 0.12955E-03 ppm1 1.496 ppm2 6.641 CV 1
ASSI { 695}
(( segid " " and resid 71 and name HB1 ))
( segid " " and resid 24 and name HE% )
5.800 4.200 0.200 peak 695 spectrum 5 weight 0.11000E+01 volume 0.16143E-03 ppm1 1.495 ppm2 6.625 CV 1
ASSI { 697}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 21 and name HZ ))
4.900 4.900 1.100 peak 697 spectrum 5 weight 0.11000E+01 volume 0.24958E-03 ppm1 0.420 ppm2 7.513 CV 1
ASSI { 698}
( segid " " and resid 71 and name HD2%)
( segid " " and resid 21 and name HE% )
4.900 3.000 1.100 peak 698 spectrum 5 weight 0.11000E+01 volume 0.23429E-03 ppm1 0.419 ppm2 7.319 CV 1
ASSI { 700}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 76 and name HD2 ))
4.600 4.600 1.400 peak 700 spectrum 5 weight 0.11000E+01 volume 0.42290E-03 ppm1 0.421 ppm2 3.145 CV 1
ASSI { 706}
( segid " " and resid 54 and name HD2%)
(( segid " " and resid 79 and name HB ))
5.500 5.500 0.500 peak 706 spectrum 5 weight 0.11000E+01 volume 0.15500E-03 ppm1 0.019 ppm2 2.372 CV 1
ASSI { 709}
(( segid " " and resid 76 and name HB1 ))
(( segid " " and resid 76 and name HB2 ))
1.900 0.400 0.400 peak 709 spectrum 5 weight 0.11000E+01 volume 0.71973E-02 ppm1 1.945 ppm2 1.612 CV 1
ASSI { 710}
(( segid " " and resid 76 and name HB1 ))
(( segid " " and resid 76 and name HG1 ))
2.700 0.900 0.900 peak 710 spectrum 5 weight 0.11000E+01 volume 0.55235E-02 ppm1 1.943 ppm2 1.556 CV 1
ASSI { 713}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB2 ))
2.300 0.600 0.600 peak 713 spectrum 5 weight 0.11000E+01 volume 0.46504E-02 ppm1 3.696 ppm2 1.612 CV 1
ASSI { 714}
(( segid " " and resid 76 and name HB1 ))
(( segid " " and resid 76 and name HG2 ))
2.400 0.700 0.700 peak 714 spectrum 5 weight 0.11000E+01 volume 0.36701E-02 ppm1 1.946 ppm2 1.397 CV 1
ASSI { 717}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 38 and name HA ))
4.300 2.300 1.700 peak 717 spectrum 5 weight 0.11000E+01 volume 0.54519E-03 ppm1 2.618 ppm2 4.793 CV 1
ASSI { 719}
(( segid " " and resid 43 and name HG11))
(( segid " " and resid 38 and name HA ))
5.100 3.200 0.900 peak 719 spectrum 5 weight 0.11000E+01 volume 0.30994E-03 ppm1 1.605 ppm2 4.789 CV 1
ASSI { 721}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 38 and name HA ))
4.300 2.300 1.700 peak 721 spectrum 5 weight 0.11000E+01 volume 0.17788E-03 ppm1 1.859 ppm2 4.793 CV 1
ASSI { 725}
(( segid " " and resid 83 and name HG11))
( segid " " and resid 38 and name HE% )
3.900 1.900 1.900 peak 725 spectrum 5 weight 0.11000E+01 volume 0.97942E-03 ppm1 2.104 ppm2 7.178 CV 1
ASSI { 726}
(( segid " " and resid 83 and name HG11))
( segid " " and resid 38 and name HD% )
4.400 4.400 1.600 peak 726 spectrum 5 weight 0.11000E+01 volume 0.70825E-03 ppm1 2.091 ppm2 7.122 CV 1
ASSI { 727}
(( segid " " and resid 83 and name HG11))
(( segid " " and resid 38 and name HZ ))
3.700 1.700 1.700 peak 727 spectrum 5 weight 0.11000E+01 volume 0.91143E-03 ppm1 2.106 ppm2 7.081 CV 1
ASSI { 729}
(( segid " " and resid 43 and name HG12))
( segid " " and resid 38 and name HD% )
2.900 1.100 1.100 peak 729 spectrum 5 weight 0.11000E+01 volume 0.99285E-03 ppm1 1.202 ppm2 7.126 CV 1
ASSI { 731}
(( segid " " and resid 90 and name HB ))
(( segid " " and resid 38 and name HZ ))
3.700 1.700 1.700 peak 731 spectrum 5 weight 0.11000E+01 volume 0.12883E-02 ppm1 1.987 ppm2 7.092 CV 1
ASSI { 732}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 38 and name HE% )
3.700 1.800 1.800 peak 732 spectrum 5 weight 0.11000E+01 volume 0.31536E-03 ppm1 1.986 ppm2 7.174 CV 1
ASSI { 738}
( segid " " and resid 50 and name HD1%)
( segid " " and resid 25 and name HG2%)
2.600 2.600 3.400 peak 738 spectrum 5 weight 0.11000E+01 volume 0.29367E-02 ppm1 0.473 ppm2 0.692 CV 1
ASSI { 739}
( segid " " and resid 54 and name HD1%)
( segid " " and resid 50 and name HG2%)
2.700 2.700 3.300 peak 739 spectrum 5 weight 0.11000E+01 volume 0.83065E-02 ppm1 0.229 ppm2 0.671 CV 1
ASSI { 742}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 50 and name HB ))
3.000 1.100 1.100 peak 742 spectrum 5 weight 0.11000E+01 volume 0.21783E-02 ppm1 0.025 ppm2 1.608 CV 1
ASSI { 743}
(( segid " " and resid 43 and name HG12))
(( segid " " and resid 43 and name HG11))
1.500 1.500 4.500 peak 743 spectrum 5 weight 0.11000E+01 volume 0.12859E-01 ppm1 1.206 ppm2 1.610 CV 1
ASSI { 753}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HA ))
3.300 1.400 1.400 peak 753 spectrum 5 weight 0.11000E+01 volume 0.34356E-02 ppm1 0.473 ppm2 3.277 CV 1
ASSI { 754}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 50 and name HA ))
3.200 1.200 1.200 peak 754 spectrum 5 weight 0.11000E+01 volume 0.28024E-02 ppm1 0.013 ppm2 3.274 CV 1
ASSI { 757}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 50 and name HA ))
2.900 1.000 1.000 peak 757 spectrum 5 weight 0.11000E+01 volume 0.16318E-02 ppm1 1.605 ppm2 3.273 CV 1
ASSI { 779}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 82 and name HZ ))
4.800 2.900 1.200 peak 779 spectrum 5 weight 0.11000E+01 volume 0.12920E-02 ppm1 0.009 ppm2 7.319 CV 1
ASSI { 780}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 82 and name HZ ))
5.800 4.300 0.200 peak 780 spectrum 5 weight 0.11000E+01 volume 0.15261E-03 ppm1 0.472 ppm2 7.314 CV 1
ASSI { 782}
(( segid " " and resid 50 and name HG11))
( segid " " and resid 82 and name HE% )
3.100 3.100 2.900 peak 782 spectrum 5 weight 0.11000E+01 volume 0.63011E-03 ppm1 1.259 ppm2 7.128 CV 1
ASSI { 783}
(( segid " " and resid 50 and name HG11))
( segid " " and resid 86 and name HE% )
4.100 4.100 1.900 peak 783 spectrum 5 weight 0.11000E+01 volume 0.53859E-03 ppm1 1.259 ppm2 6.784 CV 1
ASSI { 785}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 86 and name HD% )
4.100 4.100 1.900 peak 785 spectrum 5 weight 0.11000E+01 volume 0.23649E-03 ppm1 1.606 ppm2 6.739 CV 1
ASSI { 787}
( segid " " and resid 50 and name HG2%)
( segid " " and resid 86 and name HD% )
5.100 5.100 0.900 peak 787 spectrum 5 weight 0.11000E+01 volume 0.21557E-03 ppm1 0.673 ppm2 6.739 CV 1
ASSI { 788}
( segid " " and resid 50 and name HG2%)
( segid " " and resid 86 and name HE% )
4.400 4.400 1.600 peak 788 spectrum 5 weight 0.11000E+01 volume 0.41991E-03 ppm1 0.673 ppm2 6.785 CV 1
ASSI { 791}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 82 and name HZ ))
4.800 4.800 1.200 peak 791 spectrum 5 weight 0.11000E+01 volume 0.50875E-03 ppm1 0.676 ppm2 7.315 CV 1
ASSI { 795}
(( segid " " and resid 54 and name HG ))
(( segid " " and resid 54 and name HB2 ))
2.900 1.000 1.000 peak 795 spectrum 5 weight 0.11000E+01 volume 0.13422E-02 ppm1 1.195 ppm2 -0.095 CV 1
ASSI { 800}
( segid " " and resid 54 and name HD1%)
(( segid " " and resid 54 and name HG ))
2.400 0.700 0.700 peak 800 spectrum 5 weight 0.11000E+01 volume 0.44997E-02 ppm1 0.229 ppm2 1.193 CV 1
ASSI { 803}
(( segid " " and resid 54 and name HG ))
( segid " " and resid 54 and name HD2%)
2.400 0.700 0.700 peak 803 spectrum 5 weight 0.11000E+01 volume 0.49842E-02 ppm1 1.195 ppm2 0.007 CV 1
ASSI { 807}
( segid " " and resid 54 and name HD2%)
( segid " " and resid 79 and name HG2%)
4.100 4.100 1.900 peak 807 spectrum 5 weight 0.11000E+01 volume 0.13748E-02 ppm1 0.011 ppm2 1.031 CV 1
ASSI { 811}
(( segid " " and resid 79 and name HB ))
( segid " " and resid 54 and name HD1%)
4.200 2.200 1.800 peak 811 spectrum 5 weight 0.11000E+01 volume 0.27668E-03 ppm1 2.380 ppm2 0.227 CV 1
ASSI { 812}
(( segid " " and resid 79 and name HB ))
( segid " " and resid 71 and name HD2%)
4.700 2.800 1.300 peak 812 spectrum 5 weight 0.11000E+01 volume 0.43196E-03 ppm1 2.379 ppm2 0.418 CV 1
ASSI { 813}
(( segid " " and resid 79 and name HB ))
(( segid " " and resid 54 and name HB1 ))
3.400 3.400 2.600 peak 813 spectrum 5 weight 0.11000E+01 volume 0.25032E-03 ppm1 2.383 ppm2 0.692 CV 1
ASSI { 816}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HB2 ))
3.600 1.600 1.600 peak 816 spectrum 5 weight 0.11000E+01 volume 0.99729E-03 ppm1 1.119 ppm2 -0.002 CV 1
ASSI { 825}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HD2 ))
3.400 1.500 1.500 peak 825 spectrum 5 weight 0.11000E+01 volume 0.11095E-02 ppm1 2.799 ppm2 2.097 CV 1
ASSI { 841}
(( segid " " and resid 85 and name HB1 ))
(( segid " " and resid 85 and name HA ))
2.400 0.700 0.700 peak 841 spectrum 5 weight 0.11000E+01 volume 0.76206E-02 ppm1 3.856 ppm2 4.225 CV 1
ASSI { 843}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HB2 ))
2.300 0.700 0.700 peak 843 spectrum 5 weight 0.11000E+01 volume 0.84042E-02 ppm1 4.228 ppm2 3.853 CV 1
ASSI { 846}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HE1 ))
4.100 2.100 1.900 peak 846 spectrum 5 weight 0.11000E+01 volume 0.71500E-03 ppm1 4.097 ppm2 2.960 CV 1
ASSI { 847}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 86 and name HD% )
3.000 3.000 3.000 peak 847 spectrum 5 weight 0.11000E+01 volume 0.19817E-02 ppm1 4.102 ppm2 6.784 CV 1
ASSI { 848}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 86 and name HE% )
3.900 3.900 2.100 peak 848 spectrum 5 weight 0.11000E+01 volume 0.64809E-03 ppm1 4.101 ppm2 6.739 CV 1
ASSI { 851}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB1 ))
2.800 1.000 1.000 peak 851 spectrum 5 weight 0.11000E+01 volume 0.55645E-02 ppm1 4.203 ppm2 3.324 CV 1
ASSI { 853}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 82 and name HD% )
2.700 0.900 0.900 peak 853 spectrum 5 weight 0.11000E+01 volume 0.43047E-02 ppm1 4.203 ppm2 7.081 CV 1
ASSI { 854}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 82 and name HE% )
4.200 4.200 1.800 peak 854 spectrum 5 weight 0.11000E+01 volume 0.83513E-03 ppm1 4.203 ppm2 7.127 CV 1
ASSI { 856}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 88 and name HB1 ))
2.600 0.800 0.800 peak 856 spectrum 5 weight 0.11000E+01 volume 0.40831E-02 ppm1 4.227 ppm2 2.833 CV 1
ASSI { 869}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG12))
2.600 0.900 0.900 peak 869 spectrum 5 weight 0.11000E+01 volume 0.28187E-02 ppm1 3.559 ppm2 0.872 CV 1
ASSI { 877}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HB2 ))
2.900 1.100 1.100 peak 877 spectrum 5 weight 0.11000E+01 volume 0.12218E-02 ppm1 3.560 ppm2 2.707 CV 1
ASSI { 880}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 28 and name HB1 ))
3.400 1.400 1.400 peak 880 spectrum 5 weight 0.11000E+01 volume 0.28092E-02 ppm1 3.596 ppm2 2.062 CV 1
ASSI { 885}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HB2 ))
3.600 1.600 1.600 peak 885 spectrum 5 weight 0.11000E+01 volume 0.10112E-02 ppm1 3.350 ppm2 1.833 CV 1
ASSI { 886}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HB1 ))
2.600 0.800 0.800 peak 886 spectrum 5 weight 0.11000E+01 volume 0.75908E-02 ppm1 1.747 ppm2 2.259 CV 1
ASSI { 895}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HD1 ))
3.400 1.500 1.500 peak 895 spectrum 5 weight 0.11000E+01 volume 0.90353E-03 ppm1 3.991 ppm2 3.571 CV 1
ASSI { 896}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HD2 ))
3.800 1.800 1.800 peak 896 spectrum 5 weight 0.11000E+01 volume 0.79291E-03 ppm1 3.990 ppm2 3.347 CV 1
ASSI { 897}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB1 ))
2.400 0.700 0.700 peak 897 spectrum 5 weight 0.11000E+01 volume 0.43252E-02 ppm1 3.990 ppm2 2.266 CV 1
ASSI { 906}
( segid " " and resid 83 and name HD1%)
( segid " " and resid 83 and name HG2%)
2.400 2.400 3.600 peak 906 spectrum 5 weight 0.11000E+01 volume 0.16109E-01 ppm1 0.787 ppm2 0.923 CV 1
ASSI { 908}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 43 and name HG12))
2.300 0.600 0.600 peak 908 spectrum 5 weight 0.11000E+01 volume 0.51625E-02 ppm1 0.762 ppm2 1.203 CV 1
ASSI { 911}
(( segid " " and resid 43 and name HG12))
( segid " " and resid 43 and name HG2%)
2.500 0.800 0.800 peak 911 spectrum 5 weight 0.11000E+01 volume 0.49809E-02 ppm1 1.203 ppm2 0.887 CV 1
ASSI { 914}
(( segid " " and resid 43 and name HG11))
( segid " " and resid 43 and name HG2%)
3.000 3.000 3.000 peak 914 spectrum 5 weight 0.11000E+01 volume 0.39705E-02 ppm1 1.614 ppm2 0.879 CV 1
ASSI { 915}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HG11))
3.000 1.100 1.100 peak 915 spectrum 5 weight 0.11000E+01 volume 0.19619E-02 ppm1 3.667 ppm2 1.605 CV 1
ASSI { 918}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HG11))
3.300 1.300 1.300 peak 918 spectrum 5 weight 0.11000E+01 volume 0.34189E-02 ppm1 3.740 ppm2 1.398 CV 1
ASSI { 923}
( segid " " and resid 47 and name HB% )
(( segid " " and resid 45 and name HA ))
2.800 2.800 3.200 peak 923 spectrum 5 weight 0.11000E+01 volume 0.56305E-02 ppm1 1.350 ppm2 3.929 CV 1
ASSI { 926}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB2 ))
2.500 0.800 0.800 peak 926 spectrum 5 weight 0.11000E+01 volume 0.39422E-02 ppm1 3.718 ppm2 2.270 CV 1
ASSI { 928}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 86 and name HE% )
4.300 2.400 1.700 peak 928 spectrum 5 weight 0.11000E+01 volume 0.94455E-03 ppm1 3.718 ppm2 6.740 CV 1
ASSI { 929}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB1 ))
3.100 1.200 1.200 peak 929 spectrum 5 weight 0.11000E+01 volume 0.22941E-02 ppm1 3.715 ppm2 2.768 CV 1
ASSI { 933}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HB1 ))
2.000 0.500 0.500 peak 933 spectrum 5 weight 0.11000E+01 volume 0.55500E-02 ppm1 2.274 ppm2 2.768 CV 1
ASSI { 939}
(( segid " " and resid 86 and name HB1 ))
(( segid " " and resid 83 and name HA ))
2.500 0.800 0.800 peak 939 spectrum 5 weight 0.11000E+01 volume 0.22082E-02 ppm1 2.770 ppm2 3.279 CV 1
ASSI { 940}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 83 and name HA ))
3.500 1.500 1.500 peak 940 spectrum 5 weight 0.11000E+01 volume 0.15506E-02 ppm1 2.273 ppm2 3.279 CV 1
ASSI { 943}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HG11))
2.600 0.800 0.800 peak 943 spectrum 5 weight 0.11000E+01 volume 0.24335E-02 ppm1 3.282 ppm2 2.104 CV 1
ASSI { 944}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB ))
2.600 0.800 0.800 peak 944 spectrum 5 weight 0.11000E+01 volume 0.27166E-02 ppm1 3.283 ppm2 2.002 CV 1
ASSI { 949}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HG12))
3.100 1.200 1.200 peak 949 spectrum 5 weight 0.11000E+01 volume 0.29121E-02 ppm1 3.281 ppm2 0.975 CV 1
ASSI { 954}
(( segid " " and resid 83 and name HB ))
( segid " " and resid 83 and name HD1%)
2.500 0.800 0.800 peak 954 spectrum 5 weight 0.11000E+01 volume 0.42648E-02 ppm1 2.001 ppm2 0.782 CV 1
ASSI { 955}
(( segid " " and resid 83 and name HG11))
( segid " " and resid 83 and name HD1%)
2.700 0.900 0.900 peak 955 spectrum 5 weight 0.11000E+01 volume 0.23186E-02 ppm1 2.106 ppm2 0.785 CV 1
ASSI { 956}
(( segid " " and resid 83 and name HG11))
(( segid " " and resid 83 and name HG12))
2.000 0.500 0.500 peak 956 spectrum 5 weight 0.11000E+01 volume 0.47959E-02 ppm1 2.106 ppm2 0.972 CV 1
ASSI { 957}
(( segid " " and resid 83 and name HG11))
( segid " " and resid 83 and name HG2%)
2.500 0.800 0.800 peak 957 spectrum 5 weight 0.11000E+01 volume 0.52714E-02 ppm1 2.108 ppm2 0.924 CV 1
ASSI { 958}
(( segid " " and resid 83 and name HB ))
( segid " " and resid 83 and name HG2%)
2.400 0.700 0.700 peak 958 spectrum 5 weight 0.11000E+01 volume 0.42346E-02 ppm1 1.996 ppm2 0.925 CV 1
ASSI { 959}
(( segid " " and resid 83 and name HB ))
(( segid " " and resid 83 and name HG12))
2.800 1.000 1.000 peak 959 spectrum 5 weight 0.11000E+01 volume 0.15362E-02 ppm1 1.997 ppm2 0.973 CV 1
ASSI { 965}
(( segid " " and resid 29 and name HG11))
( segid " " and resid 25 and name HG1%)
2.800 2.800 3.200 peak 965 spectrum 5 weight 0.11000E+01 volume 0.28489E-02 ppm1 1.760 ppm2 0.785 CV 1
ASSI { 967}
(( segid " " and resid 29 and name HG11))
(( segid " " and resid 29 and name HG12))
1.900 0.500 0.500 peak 967 spectrum 5 weight 0.11000E+01 volume 0.62288E-02 ppm1 1.759 ppm2 0.873 CV 1
ASSI { 969}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HG12))
2.900 1.100 1.100 peak 969 spectrum 5 weight 0.11000E+01 volume 0.27061E-02 ppm1 1.880 ppm2 0.868 CV 1
ASSI { 987}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 25 and name HA ))
2.200 0.600 0.600 peak 987 spectrum 5 weight 0.11000E+01 volume 0.81767E-02 ppm1 0.695 ppm2 3.593 CV 1
ASSI { 988}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 29 and name HA ))
3.600 1.600 1.600 peak 988 spectrum 5 weight 0.11000E+01 volume 0.21768E-02 ppm1 0.697 ppm2 3.560 CV 1
ASSI { 994}
(( segid " " and resid 29 and name HG11))
(( segid " " and resid 29 and name HA ))
2.900 1.000 1.000 peak 994 spectrum 5 weight 0.11000E+01 volume 0.21870E-02 ppm1 1.759 ppm2 3.559 CV 1
ASSI { 996}
(( segid " " and resid 90 and name HG12))
( segid " " and resid 90 and name HD1%)
2.400 0.700 0.700 peak 996 spectrum 5 weight 0.11000E+01 volume 0.46788E-02 ppm1 1.204 ppm2 0.717 CV 1
ASSI { 998}
(( segid " " and resid 90 and name HG12))
( segid " " and resid 90 and name HG2%)
3.200 1.300 1.300 peak 998 spectrum 5 weight 0.11000E+01 volume 0.41574E-02 ppm1 1.211 ppm2 0.799 CV 1
ASSI { 1027}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 90 and name HG11))
2.700 0.900 0.900 peak 1027 spectrum 5 weight 0.11000E+01 volume 0.27941E-02 ppm1 0.801 ppm2 1.405 CV 1
ASSI { 1041}
(( segid " " and resid 90 and name HG11))
( segid " " and resid 86 and name HD% )
3.800 3.800 2.200 peak 1041 spectrum 5 weight 0.11000E+01 volume 0.78925E-03 ppm1 1.408 ppm2 6.738 CV 1
ASSI { 1044}
(( segid " " and resid 90 and name HG12))
( segid " " and resid 86 and name HD% )
3.500 1.500 1.500 peak 1044 spectrum 5 weight 0.11000E+01 volume 0.50760E-03 ppm1 1.212 ppm2 6.784 CV 1
ASSI { 1045}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 86 and name HD% )
4.800 4.800 1.200 peak 1045 spectrum 5 weight 0.11000E+01 volume 0.32716E-03 ppm1 1.987 ppm2 6.736 CV 1
ASSI { 1046}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 86 and name HE% )
5.500 5.500 0.500 peak 1046 spectrum 5 weight 0.11000E+01 volume 0.22489E-03 ppm1 1.990 ppm2 6.785 CV 1
ASSI { 1053}
( segid " " and resid 90 and name HD1%)
(( segid " " and resid 38 and name HZ ))
2.500 2.500 3.500 peak 1053 spectrum 5 weight 0.11000E+01 volume 0.15361E-02 ppm1 0.721 ppm2 7.094 CV 1
ASSI { 1054}
( segid " " and resid 90 and name HD1%)
( segid " " and resid 38 and name HD% )
3.200 3.200 2.800 peak 1054 spectrum 5 weight 0.11000E+01 volume 0.34107E-03 ppm1 0.718 ppm2 7.125 CV 1
ASSI { 1055}
( segid " " and resid 90 and name HD1%)
( segid " " and resid 38 and name HE% )
2.800 2.800 3.200 peak 1055 spectrum 5 weight 0.11000E+01 volume 0.70053E-03 ppm1 0.721 ppm2 7.175 CV 1
ASSI { 1056}
( segid " " and resid 90 and name HG2%)
( segid " " and resid 38 and name HE% )
3.400 1.400 1.400 peak 1056 spectrum 5 weight 0.11000E+01 volume 0.12430E-02 ppm1 0.804 ppm2 7.174 CV 1
ASSI { 1057}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 38 and name HZ ))
2.400 2.400 3.600 peak 1057 spectrum 5 weight 0.11000E+01 volume 0.18072E-02 ppm1 0.802 ppm2 7.093 CV 1
ASSI { 1059}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 38 and name HD% )
3.100 3.100 2.900 peak 1059 spectrum 5 weight 0.11000E+01 volume 0.11011E-02 ppm1 2.616 ppm2 7.125 CV 1
ASSI { 1060}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 38 and name HE% )
4.600 2.600 1.400 peak 1060 spectrum 5 weight 0.11000E+01 volume 0.18300E-03 ppm1 2.611 ppm2 7.173 CV 1
ASSI { 1065}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 43 and name HD1%)
3.700 1.700 1.700 peak 1065 spectrum 5 weight 0.11000E+01 volume 0.12348E-02 ppm1 3.046 ppm2 0.753 CV 1
ASSI { 1067}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 43 and name HG12))
4.100 2.100 1.900 peak 1067 spectrum 5 weight 0.11000E+01 volume 0.93769E-03 ppm1 3.046 ppm2 1.208 CV 1
ASSI { 1070}
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 43 and name HA ))
5.100 3.300 0.900 peak 1070 spectrum 5 weight 0.11000E+01 volume 0.33544E-03 ppm1 3.192 ppm2 3.668 CV 1
ASSI { 1071}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 43 and name HA ))
5.200 3.300 0.800 peak 1071 spectrum 5 weight 0.11000E+01 volume 0.52266E-03 ppm1 3.045 ppm2 3.665 CV 1
ASSI { 1082}
(( segid " " and resid 79 and name HB ))
( segid " " and resid 24 and name HD% )
4.700 2.800 1.300 peak 1082 spectrum 5 weight 0.11000E+01 volume 0.28277E-03 ppm1 2.383 ppm2 7.011 CV 1
ASSI { 1094}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HG1 ))
2.900 1.100 1.100 peak 1094 spectrum 5 weight 0.11000E+01 volume 0.56443E-02 ppm1 3.742 ppm2 1.664 CV 1
ASSI { 1095}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB1 ))
2.500 0.800 0.800 peak 1095 spectrum 5 weight 0.11000E+01 volume 0.42823E-02 ppm1 3.745 ppm2 1.634 CV 1
ASSI { 1096}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 60 and name HB1 ))
2.400 0.700 0.700 peak 1096 spectrum 5 weight 0.11000E+01 volume 0.46213E-02 ppm1 3.746 ppm2 1.760 CV 1
ASSI { 1097}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HB1 ))
2.400 0.700 0.700 peak 1097 spectrum 5 weight 0.11000E+01 volume 0.10694E-01 ppm1 4.000 ppm2 1.760 CV 1
ASSI { 1103}
(( segid " " and resid 57 and name HD1 ))
(( segid " " and resid 57 and name HE2 ))
3.600 3.600 2.400 peak 1103 spectrum 5 weight 0.11000E+01 volume 0.54780E-03 ppm1 1.267 ppm2 2.740 CV 1
ASSI { 1105}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HG1 ))
3.100 3.100 2.900 peak 1105 spectrum 5 weight 0.11000E+01 volume 0.16718E-02 ppm1 3.789 ppm2 1.872 CV 1
ASSI { 1106}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HD2 ))
3.400 1.500 1.500 peak 1106 spectrum 5 weight 0.11000E+01 volume 0.21856E-02 ppm1 3.788 ppm2 3.346 CV 1
ASSI { 1107}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HD1 ))
2.900 1.000 1.000 peak 1107 spectrum 5 weight 0.11000E+01 volume 0.13073E-02 ppm1 3.789 ppm2 3.575 CV 1
ASSI { 1108}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HB1 ))
4.300 2.300 1.700 peak 1108 spectrum 5 weight 0.11000E+01 volume 0.67766E-03 ppm1 3.791 ppm2 2.259 CV 1
ASSI { 1112}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG2%)
2.300 0.700 0.700 peak 1112 spectrum 5 weight 0.11000E+01 volume 0.72477E-02 ppm1 3.164 ppm2 0.918 CV 1
ASSI { 1120}
(( segid " " and resid 26 and name HD2 ))
( segid " " and resid 22 and name HB% )
2.900 2.900 3.100 peak 1120 spectrum 5 weight 0.11000E+01 volume 0.60994E-03 ppm1 3.349 ppm2 1.494 CV 1
ASSI { 1122}
(( segid " " and resid 26 and name HB1 ))
( segid " " and resid 22 and name HB% )
3.900 3.900 2.100 peak 1122 spectrum 5 weight 0.11000E+01 volume 0.83468E-03 ppm1 2.264 ppm2 1.496 CV 1
ASSI { 1130}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 21 and name HB1 ))
3.500 1.500 1.500 peak 1130 spectrum 5 weight 0.11000E+01 volume 0.21242E-02 ppm1 1.159 ppm2 3.075 CV 1
ASSI { 1132}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 21 and name HB2 ))
2.800 1.000 1.000 peak 1132 spectrum 5 weight 0.11000E+01 volume 0.26292E-02 ppm1 0.924 ppm2 2.955 CV 1
ASSI { 1133}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 18 and name HB2 ))
3.700 1.700 1.700 peak 1133 spectrum 5 weight 0.11000E+01 volume 0.31594E-02 ppm1 1.156 ppm2 2.885 CV 1
ASSI { 1140}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 21 and name HD% )
4.200 2.200 1.800 peak 1140 spectrum 5 weight 0.11000E+01 volume 0.97980E-03 ppm1 0.921 ppm2 7.512 CV 1
ASSI { 1142}
(( segid " " and resid 58 and name HG1 ))
( segid " " and resid 21 and name HD% )
3.400 3.400 2.600 peak 1142 spectrum 5 weight 0.11000E+01 volume 0.24470E-03 ppm1 1.677 ppm2 7.510 CV 1
ASSI { 1143}
(( segid " " and resid 58 and name HG1 ))
(( segid " " and resid 21 and name HZ ))
3.300 1.400 1.400 peak 1143 spectrum 5 weight 0.11000E+01 volume 0.10740E-02 ppm1 1.678 ppm2 7.552 CV 1
ASSI { 1146}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 51 and name HG2%)
3.900 1.900 1.900 peak 1146 spectrum 5 weight 0.11000E+01 volume 0.11931E-02 ppm1 4.402 ppm2 0.920 CV 1
ASSI { 1151}
(( segid " " and resid 18 and name HB1 ))
( segid " " and resid 51 and name HG1%)
3.200 1.300 1.300 peak 1151 spectrum 5 weight 0.11000E+01 volume 0.93534E-03 ppm1 3.129 ppm2 1.157 CV 1
ASSI { 1152}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 21 and name HZ ))
4.200 4.200 1.800 peak 1152 spectrum 5 weight 0.11000E+01 volume 0.50655E-03 ppm1 0.009 ppm2 7.513 CV 1
ASSI { 1153}
(( segid " " and resid 50 and name HG12))
( segid " " and resid 21 and name HD% )
3.700 3.700 2.300 peak 1153 spectrum 5 weight 0.11000E+01 volume 0.43464E-03 ppm1 0.008 ppm2 7.553 CV 1
ASSI { 1158}
( segid " " and resid 54 and name HD1%)
(( segid " " and resid 55 and name HB ))
5.100 5.100 0.900 peak 1158 spectrum 5 weight 0.11000E+01 volume 0.36618E-03 ppm1 0.229 ppm2 3.596 CV 1
ASSI { 1161}
( segid " " and resid 54 and name HD1%)
(( segid " " and resid 21 and name HA ))
3.300 3.300 2.700 peak 1161 spectrum 5 weight 0.11000E+01 volume 0.29048E-03 ppm1 0.229 ppm2 4.151 CV 1
ASSI { 1167}
( segid " " and resid 54 and name HD2%)
(( segid " " and resid 55 and name HB ))
5.200 5.200 0.800 peak 1167 spectrum 5 weight 0.11000E+01 volume 0.16898E-03 ppm1 0.008 ppm2 3.599 CV 1
ASSI { 1171}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 73 and name HA ))
4.800 2.900 1.200 peak 1171 spectrum 5 weight 0.11000E+01 volume 0.26642E-03 ppm1 0.026 ppm2 3.911 CV 1
ASSI { 1172}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 72 and name HA ))
4.500 2.500 1.500 peak 1172 spectrum 5 weight 0.11000E+01 volume 0.19886E-03 ppm1 0.027 ppm2 4.390 CV 1
ASSI { 1173}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 73 and name HA ))
5.200 5.200 0.800 peak 1173 spectrum 5 weight 0.11000E+01 volume 0.19128E-03 ppm1 0.424 ppm2 3.914 CV 1
ASSI { 1174}
( segid " " and resid 71 and name HD2%)
(( segid " " and resid 72 and name HA ))
4.900 4.900 1.100 peak 1174 spectrum 5 weight 0.11000E+01 volume 0.24071E-03 ppm1 0.420 ppm2 4.390 CV 1
ASSI { 1179}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB1 ))
3.000 1.100 1.100 peak 1179 spectrum 5 weight 0.11000E+01 volume 0.19883E-02 ppm1 3.341 ppm2 0.707 CV 1
ASSI { 1180}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HG ))
2.900 1.000 1.000 peak 1180 spectrum 5 weight 0.11000E+01 volume 0.17129E-02 ppm1 3.340 ppm2 1.192 CV 1
ASSI { 1185}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 50 and name HD1%)
5.100 3.300 0.900 peak 1185 spectrum 5 weight 0.11000E+01 volume 0.32153E-03 ppm1 1.881 ppm2 0.470 CV 1
ASSI { 1188}
( segid " " and resid 83 and name HD1%)
( segid " " and resid 50 and name HD1%)
2.500 2.500 3.500 peak 1188 spectrum 5 weight 0.11000E+01 volume 0.33840E-02 ppm1 0.787 ppm2 0.470 CV 1
ASSI { 1192}
( segid " " and resid 83 and name HG2%)
( segid " " and resid 50 and name HD1%)
3.400 3.400 2.600 peak 1192 spectrum 5 weight 0.11000E+01 volume 0.22032E-02 ppm1 0.928 ppm2 0.471 CV 1
ASSI { 1193}
(( segid " " and resid 83 and name HG12))
( segid " " and resid 50 and name HD1%)
3.200 1.200 1.200 peak 1193 spectrum 5 weight 0.11000E+01 volume 0.14737E-02 ppm1 0.972 ppm2 0.469 CV 1
ASSI { 1197}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 29 and name HG11))
4.200 2.200 1.800 peak 1197 spectrum 5 weight 0.11000E+01 volume 0.40205E-03 ppm1 0.472 ppm2 1.756 CV 1
ASSI { 1206}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 24 and name HD% )
4.800 2.900 1.200 peak 1206 spectrum 5 weight 0.11000E+01 volume 0.32217E-03 ppm1 4.240 ppm2 7.011 CV 1
ASSI { 1212}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.400 0.700 0.700 peak 1212 spectrum 5 weight 0.11000E+01 volume 0.71586E-02 ppm1 4.101 ppm2 1.906 CV 1
ASSI { 1215}
(( segid " " and resid 70 and name HB1 ))
( segid " " and resid 20 and name HE% )
5.900 4.400 0.100 peak 1215 spectrum 5 weight 0.11000E+01 volume 0.18706E-03 ppm1 2.449 ppm2 6.875 CV 1
OR { 1215}
(( segid " " and resid 70 and name HB2 ))
( segid " " and resid 20 and name HE% )
ASSI { 1216}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 20 and name HZ ))
6.000 4.600 0.000 peak 1216 spectrum 5 weight 0.11000E+01 volume 0.12510E-03 ppm1 2.451 ppm2 7.047 CV 1
OR { 1216}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 20 and name HZ ))
ASSI { 1217}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
2.800 1.000 1.000 peak 1217 spectrum 5 weight 0.11000E+01 volume 0.26551E-02 ppm1 2.712 ppm2 4.928 CV 1
ASSI { 1219}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HA ))
3.900 1.900 1.900 peak 1219 spectrum 5 weight 0.11000E+01 volume 0.64003E-03 ppm1 4.414 ppm2 4.932 CV 1
ASSI { 1226}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 29 and name HG2%)
3.400 3.400 2.600 peak 1226 spectrum 5 weight 0.11000E+01 volume 0.15622E-02 ppm1 3.991 ppm2 0.814 CV 1
ASSI { 1232}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 57 and name HB1 ))
3.500 1.500 1.500 peak 1232 spectrum 5 weight 0.11000E+01 volume 0.19111E-02 ppm1 3.340 ppm2 1.635 CV 1
ASSI { 1236}
( segid " " and resid 47 and name HB% )
(( segid " " and resid 26 and name HG2 ))
2.400 2.400 3.600 peak 1236 spectrum 5 weight 0.11000E+01 volume 0.19665E-02 ppm1 1.350 ppm2 1.746 CV 1
ASSI { 1238}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB1 ))
2.400 0.700 0.700 peak 1238 spectrum 5 weight 0.11000E+01 volume 0.46206E-02 ppm1 4.102 ppm2 2.129 CV 1
ASSI { 1241}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 90 and name HD1%)
3.800 3.800 2.200 peak 1241 spectrum 5 weight 0.11000E+01 volume 0.15865E-02 ppm1 4.102 ppm2 0.718 CV 1
ASSI { 1242}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 90 and name HG2%)
3.800 3.800 2.200 peak 1242 spectrum 5 weight 0.11000E+01 volume 0.14840E-02 ppm1 4.102 ppm2 0.798 CV 1
ASSI { 1243}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 90 and name HG12))
2.800 1.000 1.000 peak 1243 spectrum 5 weight 0.11000E+01 volume 0.17814E-02 ppm1 4.102 ppm2 1.209 CV 1
ASSI { 1244}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HG2 ))
2.800 1.000 1.000 peak 1244 spectrum 5 weight 0.11000E+01 volume 0.23681E-02 ppm1 4.102 ppm2 2.508 CV 1
ASSI { 1245}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HG1 ))
3.100 1.200 1.200 peak 1245 spectrum 5 weight 0.11000E+01 volume 0.15644E-02 ppm1 4.102 ppm2 2.683 CV 1
ASSI { 1250}
(( segid " " and resid 87 and name HG1 ))
(( segid " " and resid 87 and name HB1 ))
3.200 1.300 1.300 peak 1250 spectrum 5 weight 0.11000E+01 volume 0.17727E-02 ppm1 2.689 ppm2 2.142 CV 1
ASSI { 1261}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HA ))
2.600 0.900 0.900 peak 1261 spectrum 5 weight 0.11000E+01 volume 0.69236E-02 ppm1 1.893 ppm2 4.096 CV 1
ASSI { 1267}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 38 and name HZ ))
3.000 1.100 1.100 peak 1267 spectrum 5 weight 0.11000E+01 volume 0.15530E-02 ppm1 4.102 ppm2 7.093 CV 1
ASSI { 1268}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 38 and name HD% )
3.600 3.600 2.400 peak 1268 spectrum 5 weight 0.11000E+01 volume 0.11054E-02 ppm1 4.102 ppm2 7.120 CV 1
ASSI { 1269}
( segid " " and resid 87 and name HE% )
( segid " " and resid 38 and name HD% )
3.200 3.200 2.800 peak 1269 spectrum 5 weight 0.11000E+01 volume 0.16855E-02 ppm1 1.559 ppm2 7.125 CV 1
ASSI { 1270}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 38 and name HZ ))
3.700 1.700 1.700 peak 1270 spectrum 5 weight 0.11000E+01 volume 0.13161E-02 ppm1 1.559 ppm2 7.095 CV 1
ASSI { 1271}
( segid " " and resid 87 and name HE% )
( segid " " and resid 38 and name HE% )
2.600 2.600 3.400 peak 1271 spectrum 5 weight 0.11000E+01 volume 0.26224E-02 ppm1 1.559 ppm2 7.177 CV 1
ASSI { 1272}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 38 and name HE% )
3.900 1.900 1.900 peak 1272 spectrum 5 weight 0.11000E+01 volume 0.36483E-03 ppm1 4.100 ppm2 7.175 CV 1
ASSI { 1273}
( segid " " and resid 87 and name HE% )
( segid " " and resid 86 and name HE% )
3.400 3.400 2.600 peak 1273 spectrum 5 weight 0.11000E+01 volume 0.26001E-03 ppm1 1.559 ppm2 6.738 CV 1
ASSI { 1274}
( segid " " and resid 87 and name HE% )
( segid " " and resid 86 and name HD% )
3.100 3.100 2.900 peak 1274 spectrum 5 weight 0.11000E+01 volume 0.42502E-03 ppm1 1.558 ppm2 6.786 CV 1
ASSI { 1275}
(( segid " " and resid 87 and name HG1 ))
( segid " " and resid 86 and name HD% )
3.700 3.700 2.300 peak 1275 spectrum 5 weight 0.11000E+01 volume 0.67841E-03 ppm1 2.682 ppm2 6.736 CV 1
ASSI { 1279}
(( segid " " and resid 87 and name HG2 ))
(( segid " " and resid 38 and name HZ ))
3.500 1.500 1.500 peak 1279 spectrum 5 weight 0.11000E+01 volume 0.45221E-03 ppm1 2.509 ppm2 7.093 CV 1
ASSI { 1280}
(( segid " " and resid 87 and name HG2 ))
( segid " " and resid 38 and name HE% )
3.800 1.800 1.800 peak 1280 spectrum 5 weight 0.11000E+01 volume 0.22703E-03 ppm1 2.510 ppm2 7.174 CV 1
ASSI { 1281}
(( segid " " and resid 87 and name HG1 ))
( segid " " and resid 38 and name HD% )
5.000 3.100 1.000 peak 1281 spectrum 5 weight 0.11000E+01 volume 0.31459E-03 ppm1 2.682 ppm2 7.131 CV 1
ASSI { 1282}
(( segid " " and resid 87 and name HG1 ))
(( segid " " and resid 38 and name HZ ))
4.700 2.800 1.300 peak 1282 spectrum 5 weight 0.11000E+01 volume 0.24604E-03 ppm1 2.684 ppm2 7.088 CV 1
ASSI { 1283}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 38 and name HZ ))
4.900 3.100 1.100 peak 1283 spectrum 5 weight 0.11000E+01 volume 0.41298E-03 ppm1 1.892 ppm2 7.094 CV 1
ASSI { 1284}
(( segid " " and resid 87 and name HB1 ))
(( segid " " and resid 38 and name HZ ))
4.400 2.400 1.600 peak 1284 spectrum 5 weight 0.11000E+01 volume 0.29354E-03 ppm1 2.154 ppm2 7.094 CV 1
ASSI { 1297}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 20 and name HE% )
4.600 2.600 1.400 peak 1297 spectrum 5 weight 0.11000E+01 volume 0.45736E-03 ppm1 2.933 ppm2 6.874 CV 1
ASSI { 1298}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
3.400 1.400 1.400 peak 1298 spectrum 5 weight 0.11000E+01 volume 0.68289E-03 ppm1 3.171 ppm2 7.342 CV 1
ASSI { 1299}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
4.900 3.000 1.100 peak 1299 spectrum 5 weight 0.11000E+01 volume 0.44695E-03 ppm1 2.933 ppm2 7.342 CV 1
ASSI { 1302}
(( segid " " and resid 24 and name HB1 ))
( segid " " and resid 24 and name HE% )
4.700 2.700 1.300 peak 1302 spectrum 5 weight 0.11000E+01 volume 0.46068E-03 ppm1 3.096 ppm2 6.629 CV 1
ASSI { 1303}
(( segid " " and resid 68 and name HD1 ))
(( segid " " and resid 17 and name HZ3 ))
4.100 2.100 1.900 peak 1303 spectrum 5 weight 0.11000E+01 volume 0.99968E-03 ppm1 3.142 ppm2 6.392 CV 1
ASSI { 1310}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
4.300 2.300 1.700 peak 1310 spectrum 5 weight 0.11000E+01 volume 0.67841E-03 ppm1 3.426 ppm2 7.342 CV 1
ASSI { 1311}
(( segid " " and resid 17 and name HB1 ))
( segid " " and resid 21 and name HE% )
3.800 1.800 1.800 peak 1311 spectrum 5 weight 0.11000E+01 volume 0.67986E-03 ppm1 3.688 ppm2 7.321 CV 1
ASSI { 1312}
(( segid " " and resid 17 and name HB1 ))
( segid " " and resid 21 and name HD% )
3.300 1.300 1.300 peak 1312 spectrum 5 weight 0.11000E+01 volume 0.81998E-03 ppm1 3.689 ppm2 7.514 CV 1
ASSI { 1313}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 21 and name HD% )
4.800 2.900 1.200 peak 1313 spectrum 5 weight 0.11000E+01 volume 0.38735E-03 ppm1 3.426 ppm2 7.513 CV 1
ASSI { 1314}
(( segid " " and resid 68 and name HD1 ))
(( segid " " and resid 21 and name HZ ))
4.600 2.600 1.400 peak 1314 spectrum 5 weight 0.11000E+01 volume 0.45829E-03 ppm1 3.148 ppm2 7.551 CV 1
ASSI { 1321}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HD2 ))
3.500 3.500 2.500 peak 1321 spectrum 5 weight 0.11000E+01 volume 0.75610E-03 ppm1 3.203 ppm2 7.183 CV 1
ASSI { 1327}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HD2 ))
3.500 3.500 2.500 peak 1327 spectrum 5 weight 0.11000E+01 volume 0.10116E-02 ppm1 4.265 ppm2 7.179 CV 1
ASSI { 1333}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 17 and name HD1 ))
3.300 1.400 1.400 peak 1333 spectrum 5 weight 0.11000E+01 volume 0.15007E-02 ppm1 4.211 ppm2 7.179 CV 1
ASSI { 1334}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HD1 ))
3.000 1.200 1.200 peak 1334 spectrum 5 weight 0.11000E+01 volume 0.18337E-02 ppm1 3.943 ppm2 7.179 CV 1
ASSI { 1335}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG2 ))
2.300 0.700 0.700 peak 1335 spectrum 5 weight 0.11000E+01 volume 0.59192E-02 ppm1 3.942 ppm2 2.120 CV 1
ASSI { 1336}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG1 ))
3.000 1.100 1.100 peak 1336 spectrum 5 weight 0.11000E+01 volume 0.29578E-02 ppm1 3.942 ppm2 2.294 CV 1
ASSI { 1341}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HG1 ))
2.300 0.600 0.600 peak 1341 spectrum 5 weight 0.11000E+01 volume 0.33758E-02 ppm1 2.125 ppm2 2.294 CV 1
ASSI { 1360}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 21 and name HE% )
4.700 2.700 1.300 peak 1360 spectrum 5 weight 0.11000E+01 volume 0.44658E-03 ppm1 3.339 ppm2 7.319 CV 1
ASSI { 1361}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 21 and name HD% )
5.100 5.100 0.900 peak 1361 spectrum 5 weight 0.11000E+01 volume 0.23276E-03 ppm1 3.340 ppm2 7.513 CV 1
ASSI { 1362}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 21 and name HZ ))
6.000 5.100 0.000 peak 1362 spectrum 5 weight 0.11000E+01 volume 0.13258E-03 ppm1 3.341 ppm2 7.554 CV 1
ASSI { 1363}
( segid " " and resid 25 and name HG2%)
( segid " " and resid 21 and name HD% )
2.700 2.700 3.300 peak 1363 spectrum 5 weight 0.11000E+01 volume 0.30063E-02 ppm1 0.695 ppm2 7.513 CV 1
ASSI { 1364}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 21 and name HZ ))
4.500 4.500 1.500 peak 1364 spectrum 5 weight 0.11000E+01 volume 0.37073E-03 ppm1 0.698 ppm2 7.547 CV 1
ASSI { 1365}
( segid " " and resid 25 and name HG2%)
( segid " " and resid 21 and name HE% )
4.100 4.100 1.900 peak 1365 spectrum 5 weight 0.11000E+01 volume 0.64645E-03 ppm1 0.698 ppm2 7.320 CV 1
ASSI { 1366}
( segid " " and resid 25 and name HG2%)
(( segid " " and resid 24 and name HZ ))
4.300 2.300 1.700 peak 1366 spectrum 5 weight 0.11000E+01 volume 0.41898E-03 ppm1 0.694 ppm2 7.160 CV 1
ASSI { 1367}
( segid " " and resid 25 and name HG2%)
( segid " " and resid 24 and name HE% )
3.200 3.200 2.800 peak 1367 spectrum 5 weight 0.11000E+01 volume 0.10082E-02 ppm1 0.695 ppm2 6.627 CV 1
ASSI { 1368}
( segid " " and resid 25 and name HG2%)
( segid " " and resid 24 and name HD% )
3.300 3.300 2.700 peak 1368 spectrum 5 weight 0.11000E+01 volume 0.10611E-02 ppm1 0.695 ppm2 7.010 CV 1
ASSI { 1369}
( segid " " and resid 83 and name HG2%)
( segid " " and resid 24 and name HE% )
2.800 2.800 3.200 peak 1369 spectrum 5 weight 0.11000E+01 volume 0.70362E-03 ppm1 0.930 ppm2 6.627 CV 1
ASSI { 1370}
( segid " " and resid 83 and name HG2%)
( segid " " and resid 24 and name HD% )
2.400 2.400 3.600 peak 1370 spectrum 5 weight 0.11000E+01 volume 0.17449E-02 ppm1 0.930 ppm2 7.011 CV 1
ASSI { 1371}
(( segid " " and resid 68 and name HG2 ))
( segid " " and resid 20 and name HE% )
3.100 1.200 1.200 peak 1371 spectrum 5 weight 0.11000E+01 volume 0.12125E-02 ppm1 1.610 ppm2 6.874 CV 1
ASSI { 1372}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 20 and name HZ ))
2.900 1.000 1.000 peak 1372 spectrum 5 weight 0.11000E+01 volume 0.11618E-02 ppm1 1.609 ppm2 7.052 CV 1
ASSI { 1374}
(( segid " " and resid 43 and name HG11))
( segid " " and resid 38 and name HD% )
3.600 1.600 1.600 peak 1374 spectrum 5 weight 0.11000E+01 volume 0.65585E-03 ppm1 1.610 ppm2 7.124 CV 1
ASSI { 1378}
(( segid " " and resid 68 and name HG2 ))
( segid " " and resid 20 and name HD% )
4.400 2.400 1.600 peak 1378 spectrum 5 weight 0.11000E+01 volume 0.25291E-03 ppm1 1.618 ppm2 6.644 CV 1
ASSI { 1381}
(( segid " " and resid 58 and name HG1 ))
( segid " " and resid 21 and name HE% )
3.000 1.200 1.200 peak 1381 spectrum 5 weight 0.11000E+01 volume 0.15420E-02 ppm1 1.665 ppm2 7.317 CV 1
ASSI { 1386}
(( segid " " and resid 58 and name HG2 ))
( segid " " and resid 21 and name HE% )
3.300 1.300 1.300 peak 1386 spectrum 5 weight 0.11000E+01 volume 0.13972E-02 ppm1 0.867 ppm2 7.319 CV 1
ASSI { 1387}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 21 and name HZ ))
3.400 1.500 1.500 peak 1387 spectrum 5 weight 0.11000E+01 volume 0.13676E-02 ppm1 0.866 ppm2 7.551 CV 1
ASSI { 1389}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 17 and name HE3 ))
2.900 2.900 3.100 peak 1389 spectrum 5 weight 0.11000E+01 volume 0.64813E-03 ppm1 0.863 ppm2 7.340 CV 1
ASSI { 1390}
(( segid " " and resid 58 and name HB1 ))
(( segid " " and resid 21 and name HZ ))
4.600 2.600 1.400 peak 1390 spectrum 5 weight 0.11000E+01 volume 0.39511E-03 ppm1 1.028 ppm2 7.553 CV 1
ASSI { 1391}
(( segid " " and resid 58 and name HB1 ))
( segid " " and resid 21 and name HE% )
3.800 3.800 2.200 peak 1391 spectrum 5 weight 0.11000E+01 volume 0.10394E-02 ppm1 1.030 ppm2 7.320 CV 1
ASSI { 51}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HA ))
2.700 0.900 0.900 peak 51 spectrum 1 weight 0.11000E+01 volume 0.23790E-02 ppm1 3.115 ppm2 4.384 CV 1
OR { 51}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 15 and name HA ))
ASSI { 52}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.600 0.900 0.900 peak 52 spectrum 1 weight 0.11000E+01 volume 0.43677E-02 ppm1 2.873 ppm2 4.380 CV 1
OR { 52}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
ASSI { 130}
(( segid " " and resid 43 and name HG12))
(( segid " " and resid 43 and name HA ))
2.300 0.700 0.700 peak 130 spectrum 1 weight 0.11000E+01 volume 0.33345E-02 ppm1 1.191 ppm2 3.665 CV 1
OR { 130}
(( segid " " and resid 91 and name HG12))
(( segid " " and resid 91 and name HA ))
ASSI { 136}
(( segid " " and resid 91 and name HG12))
(( segid " " and resid 91 and name HB ))
2.900 1.100 1.100 peak 136 spectrum 1 weight 0.11000E+01 volume 0.27052E-02 ppm1 1.199 ppm2 1.997 CV 1
OR { 136}
(( segid " " and resid 43 and name HG12))
(( segid " " and resid 43 and name HB ))
ASSI { 141}
(( segid " " and resid 43 and name HG11))
(( segid " " and resid 43 and name HA ))
2.800 1.000 1.000 peak 141 spectrum 1 weight 0.11000E+01 volume 0.33482E-02 ppm1 1.576 ppm2 3.675 CV 1
OR { 141}
(( segid " " and resid 91 and name HG11))
(( segid " " and resid 91 and name HA ))
ASSI { 142}
(( segid " " and resid 43 and name HG11))
(( segid " " and resid 43 and name HB ))
2.100 0.600 0.600 peak 142 spectrum 1 weight 0.11000E+01 volume 0.76960E-02 ppm1 1.576 ppm2 2.005 CV 1
OR { 142}
(( segid " " and resid 91 and name HG11))
(( segid " " and resid 91 and name HB ))
ASSI { 144}
(( segid " " and resid 43 and name HG11))
(( segid " " and resid 43 and name HG12))
1.800 0.400 0.400 peak 144 spectrum 1 weight 0.11000E+01 volume 0.94921E-02 ppm1 1.576 ppm2 1.186 CV 1
OR { 144}
(( segid " " and resid 91 and name HG11))
(( segid " " and resid 91 and name HG12))
ASSI { 145}
(( segid " " and resid 91 and name HG11))
( segid " " and resid 91 and name HG2%)
2.900 1.100 1.100 peak 145 spectrum 1 weight 0.11000E+01 volume 0.52043E-02 ppm1 1.576 ppm2 0.865 CV 1
OR { 145}
(( segid " " and resid 43 and name HG11))
( segid " " and resid 43 and name HG2%)
ASSI { 146}
(( segid " " and resid 43 and name HG11))
( segid " " and resid 43 and name HD1%)
2.300 0.700 0.700 peak 146 spectrum 1 weight 0.11000E+01 volume 0.67587E-02 ppm1 1.576 ppm2 0.721 CV 1
OR { 146}
(( segid " " and resid 91 and name HG11))
( segid " " and resid 91 and name HD1%)
ASSI { 150}
(( segid " " and resid 43 and name HG12))
( segid " " and resid 43 and name HD1%)
2.400 0.700 0.700 peak 150 spectrum 1 weight 0.11000E+01 volume 0.58569E-02 ppm1 1.184 ppm2 0.746 CV 1
OR { 150}
(( segid " " and resid 91 and name HG12))
( segid " " and resid 91 and name HD1%)
ASSI { 151}
( segid " " and resid 91 and name HG2%)
(( segid " " and resid 91 and name HA ))
2.600 0.900 0.900 peak 151 spectrum 1 weight 0.11000E+01 volume 0.58290E-02 ppm1 0.864 ppm2 3.673 CV 1
OR { 151}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HA ))
ASSI { 152}
( segid " " and resid 91 and name HG2%)
(( segid " " and resid 91 and name HB ))
2.400 0.700 0.700 peak 152 spectrum 1 weight 0.11000E+01 volume 0.68650E-02 ppm1 0.864 ppm2 2.021 CV 1
OR { 152}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HB ))
ASSI { 154}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HG12))
2.600 0.800 0.800 peak 154 spectrum 1 weight 0.11000E+01 volume 0.47105E-02 ppm1 0.864 ppm2 1.188 CV 1
OR { 154}
( segid " " and resid 91 and name HG2%)
(( segid " " and resid 91 and name HG12))
ASSI { 156}
( segid " " and resid 43 and name HG2%)
( segid " " and resid 43 and name HD1%)
1.900 1.900 4.100 peak 156 spectrum 1 weight 0.11000E+01 volume 0.32139E-01 ppm1 0.864 ppm2 0.748 CV 1
OR { 156}
( segid " " and resid 91 and name HG2%)
( segid " " and resid 91 and name HD1%)
ASSI { 157}
( segid " " and resid 90 and name HD1%)
(( segid " " and resid 90 and name HA ))
2.700 2.700 3.300 peak 157 spectrum 1 weight 0.11000E+01 volume 0.42107E-02 ppm1 0.753 ppm2 3.667 CV 1
OR { 157}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 43 and name HA ))
ASSI { 160}
( segid " " and resid 43 and name HD1%)
(( segid " " and resid 43 and name HG12))
2.100 2.100 3.900 peak 160 spectrum 1 weight 0.11000E+01 volume 0.10806E-01 ppm1 0.753 ppm2 1.179 CV 1
OR { 160}
( segid " " and resid 90 and name HD1%)
(( segid " " and resid 90 and name HG12))
ASSI { 420}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 25 and name HB ))
3.500 1.500 1.500 peak 420 spectrum 1 weight 0.11000E+01 volume 0.18764E-02 ppm1 3.331 ppm2 1.851 CV 1
OR { 420}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 462}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 18 and name HB1 ))
2.400 0.700 0.700 peak 462 spectrum 1 weight 0.11000E+01 volume 0.55056E-02 ppm1 1.148 ppm2 3.132 CV 1
OR { 462}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 51 and name HA ))
ASSI { 701}
( segid " " and resid 47 and name HB% )
(( segid " " and resid 26 and name HB2 ))
2.300 2.300 3.700 peak 701 spectrum 1 weight 0.11000E+01 volume 0.24684E-02 ppm1 1.340 ppm2 1.851 CV 1
OR { 701}
( segid " " and resid 47 and name HB% )
(( segid " " and resid 29 and name HB ))
ASSI { 764}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 29 and name HD1%)
3.200 3.200 2.800 peak 764 spectrum 1 weight 0.11000E+01 volume 0.24121E-02 ppm1 3.978 ppm2 0.668 CV 1
OR { 764}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 25 and name HG2%)
ASSI { 1092}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 26 and name HD1 ))
2.400 0.700 0.700 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.21886E-02 ppm1 1.857 ppm2 3.571 CV 1
OR { 1092}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 25 and name HA ))
ASSI { 1202}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 67 and name HA ))
3.500 1.500 1.500 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.95999E-03 ppm1 3.085 ppm2 2.783 CV 1
OR { 1202}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 1203}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 67 and name HA ))
3.700 1.700 1.700 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.77601E-03 ppm1 2.095 ppm2 2.781 CV 1
OR { 1203}
(( segid " " and resid 67 and name HD2 ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 1294}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 34 and name HG1 ))
2.600 0.800 0.800 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.23440E-02 ppm1 1.545 ppm2 2.474 CV 1
OR { 1294}
( segid " " and resid 87 and name HE% )
(( segid " " and resid 87 and name HG2 ))
ASSI { 1335}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 68 and name HD1 ))
4.100 2.100 1.900 peak 1335 spectrum 1 weight 0.11000E+01 volume 0.76393E-03 ppm1 0.636 ppm2 3.124 CV 1
OR { 1335}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 67 and name HD1 ))
ASSI { 1459}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 59 and name HD1%)
3.200 1.300 1.300 peak 1459 spectrum 1 weight 0.11000E+01 volume 0.18041E-02 ppm1 4.606 ppm2 0.870 CV 1
OR { 1459}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 13 and name HD2%)
ASSI { 1471}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 68 and name HD1 ))
4.600 4.600 1.400 peak 1471 spectrum 1 weight 0.11000E+01 volume 0.55034E-03 ppm1 -0.007 ppm2 3.123 CV 1
OR { 1471}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HD1 ))
ASSI { 1557}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 16 and name HB1 ))
3.500 1.500 1.500 peak 1557 spectrum 1 weight 0.11000E+01 volume 0.11411E-02 ppm1 1.104 ppm2 2.779 CV 1
OR { 1557}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HA ))
ASSI { 2004}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 10 and name HB1 ))
4.600 2.600 1.400 peak 2004 spectrum 1 weight 0.11000E+01 volume 0.36222E-03 ppm1 0.951 ppm2 3.918 CV 1
OR { 2004}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 64 and name HB1 ))
ASSI { 2131}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 10 and name HB1 ))
3.900 3.900 2.100 peak 2131 spectrum 1 weight 0.11000E+01 volume 0.11933E-02 ppm1 0.878 ppm2 3.922 CV 1
OR { 2131}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 64 and name HB1 ))
ASSI { 63}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 42 and name HN ))
3.200 1.300 1.300 peak 63 spectrum 2 weight 0.11000E+01 volume 0.16765E-02 ppm1 3.050 ppm2 8.546 CV 1
OR { 63}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 43 and name HN ))
ASSI { 64}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
2.600 0.900 0.900 peak 64 spectrum 2 weight 0.11000E+01 volume 0.30873E-02 ppm1 2.608 ppm2 8.542 CV 1
OR { 64}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 43 and name HN ))
ASSI { 65}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 43 and name HN ))
2.300 0.600 0.600 peak 65 spectrum 2 weight 0.11000E+01 volume 0.79164E-02 ppm1 2.024 ppm2 8.550 CV 1
OR { 65}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 42 and name HN ))
ASSI { 6}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 17 and name HE3 ))
3.900 1.900 1.900 peak 6 spectrum 3 weight 0.11000E+01 volume 0.55944E-03 ppm1 8.716 ppm2 7.325 CV 1
OR { 6}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
ASSI { 15}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.600 0.900 0.900 peak 15 spectrum 3 weight 0.11000E+01 volume 0.24120E-02 ppm1 8.718 ppm2 2.951 CV 1
OR { 15}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 66}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.900 1.000 1.000 peak 66 spectrum 3 weight 0.11000E+01 volume 0.23734E-02 ppm1 8.535 ppm2 4.416 CV 1
OR { 66}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
ASSI { 130}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HA ))
2.900 1.000 1.000 peak 130 spectrum 3 weight 0.11000E+01 volume 0.24773E-02 ppm1 8.019 ppm2 3.685 CV 1
OR { 130}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HA ))
ASSI { 132}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HB ))
2.400 2.400 3.600 peak 132 spectrum 3 weight 0.11000E+01 volume 0.58715E-02 ppm1 8.022 ppm2 2.018 CV 1
OR { 132}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB ))
ASSI { 136}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HG12))
3.500 1.500 1.500 peak 136 spectrum 3 weight 0.11000E+01 volume 0.19613E-02 ppm1 8.018 ppm2 1.218 CV 1
OR { 136}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HG12))
ASSI { 137}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 91 and name HG2%)
3.300 1.300 1.300 peak 137 spectrum 3 weight 0.11000E+01 volume 0.27615E-02 ppm1 8.020 ppm2 0.818 CV 1
OR { 137}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 90 and name HG2%)
ASSI { 152}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HN ))
1.800 0.400 0.400 peak 152 spectrum 3 weight 0.11000E+01 volume 0.39336E-01 ppm1 8.118 ppm2 8.109 CV 1
OR { 152}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 99 and name HN ))
ASSI { 158}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 95 and name HA ))
2.500 2.500 3.500 peak 158 spectrum 3 weight 0.11000E+01 volume 0.67416E-02 ppm1 8.117 ppm2 4.177 CV 1
OR { 158}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 96 and name HA ))
ASSI { 164}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HA ))
3.200 3.200 2.800 peak 164 spectrum 3 weight 0.11000E+01 volume 0.17347E-02 ppm1 8.002 ppm2 3.703 CV 1
OR { 164}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 90 and name HA ))
ASSI { 235}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 102 and name HN ))
2.700 2.700 3.300 peak 235 spectrum 3 weight 0.11000E+01 volume 0.36894E-02 ppm1 8.211 ppm2 8.047 CV 1
OR { 235}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HN ))
ASSI { 377}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 26 and name HD1 ))
4.300 2.400 1.700 peak 377 spectrum 3 weight 0.11000E+01 volume 0.92807E-03 ppm1 7.168 ppm2 3.599 CV 1
OR { 377}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HA ))
ASSI { 394}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB2 ))
2.700 2.700 3.300 peak 394 spectrum 3 weight 0.11000E+01 volume 0.41630E-02 ppm1 7.549 ppm2 2.417 CV 1
OR { 394}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB2 ))
ASSI { 416}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.600 2.600 3.400 peak 416 spectrum 3 weight 0.11000E+01 volume 0.40742E-02 ppm1 7.707 ppm2 4.264 CV 1
OR { 416}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
ASSI { 463}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.800 0.900 0.900 peak 463 spectrum 3 weight 0.11000E+01 volume 0.31305E-02 ppm1 8.237 ppm2 4.353 CV 1
OR { 463}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
ASSI { 472}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HE21))
3.700 1.700 1.700 peak 472 spectrum 3 weight 0.11000E+01 volume 0.67278E-03 ppm1 8.866 ppm2 7.353 CV 1
OR { 472}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HN ))
ASSI { 475}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
2.700 0.900 0.900 peak 475 spectrum 3 weight 0.11000E+01 volume 0.30094E-02 ppm1 8.868 ppm2 4.355 CV 1
OR { 475}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
ASSI { 478}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HD2 ))
3.400 1.500 1.500 peak 478 spectrum 3 weight 0.11000E+01 volume 0.96510E-03 ppm1 8.868 ppm2 3.779 CV 1
OR { 478}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 492}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
3.000 1.200 1.200 peak 492 spectrum 3 weight 0.11000E+01 volume 0.27982E-02 ppm1 7.809 ppm2 4.036 CV 1
OR { 492}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 60 and name HA ))
ASSI { 531}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
2.300 0.700 0.700 peak 531 spectrum 3 weight 0.11000E+01 volume 0.91460E-02 ppm1 8.181 ppm2 4.279 CV 1
OR { 531}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
ASSI { 560}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
2.700 2.700 3.300 peak 560 spectrum 3 weight 0.11000E+01 volume 0.39343E-02 ppm1 7.692 ppm2 4.035 CV 1
OR { 560}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
ASSI { 564}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.500 1.500 1.500 peak 564 spectrum 3 weight 0.11000E+01 volume 0.22280E-02 ppm1 7.693 ppm2 1.372 CV 1
OR { 564}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HD1 ))
ASSI { 568}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB2 ))
3.000 1.100 1.100 peak 568 spectrum 3 weight 0.11000E+01 volume 0.15011E-02 ppm1 7.694 ppm2 1.587 CV 1
OR { 568}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB1 ))
ASSI { 573}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 16 and name HA ))
3.000 3.000 3.000 peak 573 spectrum 3 weight 0.11000E+01 volume 0.15870E-02 ppm1 8.102 ppm2 4.439 CV 1
OR { 573}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
ASSI { 589}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HB1 ))
2.400 0.700 0.700 peak 589 spectrum 3 weight 0.11000E+01 volume 0.73887E-02 ppm1 8.145 ppm2 2.049 CV 1
OR { 589}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HG2 ))
ASSI { 599}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 599 spectrum 3 weight 0.11000E+01 volume 0.33428E-02 ppm1 7.796 ppm2 4.311 CV 1
OR { 599}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HA ))
ASSI { 614}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HB1 ))
2.900 1.100 1.100 peak 614 spectrum 3 weight 0.11000E+01 volume 0.20115E-02 ppm1 8.871 ppm2 3.279 CV 1
OR { 614}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HA ))
OR { 614}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HB2 ))
ASSI { 667}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 58 and name HA ))
3.600 1.600 1.600 peak 667 spectrum 3 weight 0.11000E+01 volume 0.95041E-03 ppm1 7.261 ppm2 3.731 CV 1
OR { 667}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 57 and name HA ))
ASSI { 669}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB1 ))
2.400 0.700 0.700 peak 669 spectrum 3 weight 0.11000E+01 volume 0.57283E-02 ppm1 7.263 ppm2 1.817 CV 1
OR { 669}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB1 ))
ASSI { 670}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HD1 ))
3.700 3.700 2.300 peak 670 spectrum 3 weight 0.11000E+01 volume 0.15094E-02 ppm1 7.261 ppm2 1.470 CV 1
OR { 670}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HD1 ))
ASSI { 754}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HN ))
2.800 1.000 1.000 peak 754 spectrum 3 weight 0.11000E+01 volume 0.19601E-02 ppm1 8.429 ppm2 8.225 CV 1
OR { 754}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HN ))
ASSI { 755}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 48 and name HN ))
4.000 4.000 2.000 peak 755 spectrum 3 weight 0.11000E+01 volume 0.57137E-03 ppm1 8.431 ppm2 7.565 CV 1
OR { 755}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 52 and name HN ))
ASSI { 772}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 73 and name HA ))
3.500 1.500 1.500 peak 772 spectrum 3 weight 0.11000E+01 volume 0.13531E-02 ppm1 8.545 ppm2 3.915 CV 1
OR { 772}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 74 and name HA1 ))
ASSI { 845}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HN ))
2.800 1.000 1.000 peak 845 spectrum 3 weight 0.11000E+01 volume 0.25920E-02 ppm1 8.389 ppm2 8.539 CV 1
OR { 845}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
ASSI { 915}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HN ))
2.800 2.800 3.200 peak 915 spectrum 3 weight 0.11000E+01 volume 0.18849E-02 ppm1 8.827 ppm2 8.529 CV 1
OR { 915}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HN ))
ASSI { 921}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HG1 ))
4.000 4.000 2.000 peak 921 spectrum 3 weight 0.11000E+01 volume 0.13349E-02 ppm1 8.823 ppm2 1.400 CV 1
OR { 921}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 79 and name HG1%)
ASSI { 959}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 53 and name HA ))
3.300 3.300 2.700 peak 959 spectrum 3 weight 0.11000E+01 volume 0.15961E-02 ppm1 8.027 ppm2 3.599 CV 1
OR { 959}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB ))
ASSI { 972}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HA ))
3.500 1.500 1.500 peak 972 spectrum 3 weight 0.11000E+01 volume 0.10908E-02 ppm1 8.486 ppm2 4.203 CV 1
OR { 972}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 84 and name HA ))
ASSI { 994}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.600 1.600 1.600 peak 994 spectrum 3 weight 0.11000E+01 volume 0.76382E-03 ppm1 8.856 ppm2 4.439 CV 1
OR { 994}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
ASSI { 1009}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HA ))
2.500 0.800 0.800 peak 1009 spectrum 3 weight 0.11000E+01 volume 0.66088E-02 ppm1 8.139 ppm2 4.236 CV 1
OR { 1009}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HA ))
ASSI { 1065}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
3.100 1.200 1.200 peak 1065 spectrum 3 weight 0.11000E+01 volume 0.16489E-02 ppm1 8.253 ppm2 4.129 CV 1
OR { 1065}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB ))
ASSI { 1097}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
3.000 1.100 1.100 peak 1097 spectrum 3 weight 0.11000E+01 volume 0.17974E-02 ppm1 8.113 ppm2 3.599 CV 1
OR { 1097}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HD1 ))
ASSI { 1167}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB1 ))
2.600 0.800 0.800 peak 1167 spectrum 3 weight 0.11000E+01 volume 0.54295E-02 ppm1 7.629 ppm2 1.861 CV 1
OR { 1167}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB ))
ASSI { 1242}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HA ))
2.700 0.900 0.900 peak 1242 spectrum 3 weight 0.11000E+01 volume 0.41189E-02 ppm1 7.775 ppm2 4.208 CV 1
OR { 1242}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HA ))
ASSI { 1265}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
2.600 0.900 0.900 peak 1265 spectrum 3 weight 0.11000E+01 volume 0.31407E-02 ppm1 8.215 ppm2 7.627 CV 1
OR { 1265}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HN ))
ASSI { 1298}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HA ))
3.100 3.100 2.900 peak 1298 spectrum 3 weight 0.11000E+01 volume 0.20768E-02 ppm1 8.156 ppm2 4.153 CV 1
OR { 1298}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
ASSI { 1307}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HA ))
2.500 2.500 3.500 peak 1307 spectrum 3 weight 0.11000E+01 volume 0.61993E-02 ppm1 8.086 ppm2 4.153 CV 1
OR { 1307}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HA ))
ASSI { 16}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 65 and name HG2 ))
3.200 1.300 1.300 peak 16 spectrum 4 weight 0.11000E+01 volume 0.22283E-02 ppm1 6.981 ppm2 1.749 CV 1
OR { 16}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 68 and name HD2 ))
OR { 16}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 65 and name HB2 ))
ASSI { 87}
( segid " " and resid 24 and name HD% )
( segid " " and resid 28 and name HD2%)
2.600 2.600 3.400 peak 87 spectrum 4 weight 0.11000E+01 volume 0.50349E-02 ppm1 7.010 ppm2 0.984 CV 1
OR { 87}
( segid " " and resid 24 and name HD% )
( segid " " and resid 79 and name HG2%)
ASSI { 146}
( segid " " and resid 82 and name HD% )
(( segid " " and resid 50 and name HG11))
3.700 1.700 1.700 peak 146 spectrum 4 weight 0.11000E+01 volume 0.63108E-03 ppm1 7.084 ppm2 1.179 CV 1
OR { 146}
( segid " " and resid 82 and name HD% )
(( segid " " and resid 54 and name HG ))
ASSI { 218}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HG2 ))
3.400 1.400 1.400 peak 218 spectrum 5 weight 0.11000E+01 volume 0.98308E-03 ppm1 2.801 ppm2 0.197 CV 1
OR { 218}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 67 and name HG2 ))
ASSI { 327}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HA ))
4.000 2.000 2.000 peak 327 spectrum 5 weight 0.11000E+01 volume 0.79869E-03 ppm1 5.204 ppm2 3.585 CV 1
OR { 327}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HD1 ))
ASSI { 335}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 25 and name HG2%)
2.200 0.600 0.600 peak 335 spectrum 5 weight 0.11000E+01 volume 0.72372E-02 ppm1 1.877 ppm2 0.694 CV 1
OR { 335}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HD1%)
ASSI { 338}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HD2 ))
3.300 3.300 2.700 peak 338 spectrum 5 weight 0.11000E+01 volume 0.20588E-02 ppm1 1.876 ppm2 3.347 CV 1
OR { 338}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 26 and name HD2 ))
ASSI { 414}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 20 and name HD% )
4.300 2.300 1.700 peak 414 spectrum 5 weight 0.11000E+01 volume 0.27728E-03 ppm1 4.785 ppm2 6.632 CV 1
OR { 414}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 24 and name HE% )
ASSI { 432}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB1 ))
2.600 2.600 3.400 peak 432 spectrum 5 weight 0.11000E+01 volume 0.31373E-02 ppm1 3.936 ppm2 2.184 CV 1
OR { 432}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 500}
(( segid " " and resid 82 and name HB1 ))
( segid " " and resid 82 and name HD% )
2.800 2.800 3.200 peak 500 spectrum 5 weight 0.11000E+01 volume 0.19241E-02 ppm1 3.325 ppm2 7.134 CV 1
OR { 500}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HD2 ))
ASSI { 511}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HB1 ))
2.300 0.700 0.700 peak 511 spectrum 5 weight 0.11000E+01 volume 0.11947E-01 ppm1 4.394 ppm2 2.835 CV 1
OR { 511}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB1 ))
ASSI { 531}
(( segid " " and resid 87 and name HB1 ))
( segid " " and resid 38 and name HE% )
3.900 1.900 1.900 peak 531 spectrum 5 weight 0.11000E+01 volume 0.56085E-03 ppm1 2.155 ppm2 7.175 CV 1
OR { 531}
(( segid " " and resid 34 and name HB1 ))
( segid " " and resid 38 and name HE% )
ASSI { 532}
(( segid " " and resid 34 and name HB1 ))
( segid " " and resid 38 and name HD% )
4.100 2.100 1.900 peak 532 spectrum 5 weight 0.11000E+01 volume 0.48291E-03 ppm1 2.157 ppm2 7.126 CV 1
OR { 532}
(( segid " " and resid 87 and name HB1 ))
( segid " " and resid 38 and name HD% )
ASSI { 553}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HE% )
4.100 2.100 1.900 peak 553 spectrum 5 weight 0.11000E+01 volume 0.87190E-03 ppm1 4.292 ppm2 6.873 CV 1
OR { 553}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 20 and name HE% )
ASSI { 728}
(( segid " " and resid 43 and name HG12))
( segid " " and resid 38 and name HE% )
3.700 1.700 1.700 peak 728 spectrum 5 weight 0.11000E+01 volume 0.79962E-03 ppm1 1.201 ppm2 7.177 CV 1
OR { 728}
(( segid " " and resid 90 and name HG12))
( segid " " and resid 38 and name HE% )
ASSI { 730}
(( segid " " and resid 90 and name HG12))
(( segid " " and resid 38 and name HZ ))
3.700 1.700 1.700 peak 730 spectrum 5 weight 0.11000E+01 volume 0.88551E-03 ppm1 1.202 ppm2 7.090 CV 1
OR { 730}
(( segid " " and resid 43 and name HG12))
(( segid " " and resid 38 and name HZ ))
ASSI { 1061}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 38 and name HD% )
2.700 0.900 0.900 peak 1061 spectrum 5 weight 0.11000E+01 volume 0.19634E-02 ppm1 3.046 ppm2 7.125 CV 1
OR { 1061}
(( segid " " and resid 42 and name HB1 ))
( segid " " and resid 38 and name HD% )
ASSI { 1062}
(( segid " " and resid 42 and name HB1 ))
( segid " " and resid 38 and name HE% )
3.800 1.800 1.800 peak 1062 spectrum 5 weight 0.11000E+01 volume 0.38444E-03 ppm1 3.049 ppm2 7.174 CV 1
OR { 1062}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 38 and name HE% )
ASSI { 1285}
(( segid " " and resid 87 and name HB2 ))
( segid " " and resid 38 and name HE% )
3.200 1.300 1.300 peak 1285 spectrum 5 weight 0.11000E+01 volume 0.13018E-02 ppm1 1.898 ppm2 7.178 CV 1
OR { 1285}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
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