NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14375 |
1wlp   |
cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 10}
(( segid " " and resid 257 and name HE1 ))
(( segid " " and resid 224 and name HD3 ))
3.600 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.95028E-03 ppm1 7.780 ppm2 3.508 CV 1
ASSI { 11}
(( segid " " and resid 257 and name HE1 ))
(( segid " " and resid 259 and name HB2 ))
4.500 2.600 1.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.71985E-03 ppm1 7.782 ppm2 1.691 CV 1
ASSI { 16}
(( segid " " and resid 257 and name HE1 ))
(( segid " " and resid 223 and name HA ))
4.100 2.100 1.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.78333E-03 ppm1 7.773 ppm2 4.449 CV 1
ASSI { 17}
(( segid " " and resid 257 and name HE1 ))
(( segid " " and resid 224 and name HA ))
4.000 2.000 2.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.76836E-03 ppm1 7.774 ppm2 4.097 CV 1
ASSI { 18}
(( segid " " and resid 257 and name HE1 ))
(( segid " " and resid 224 and name HD2 ))
3.900 1.900 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.15105E-02 ppm1 7.778 ppm2 3.306 CV 1
ASSI { 19}
(( segid " " and resid 257 and name HE1 ))
( segid " " and resid 259 and name HD1%)
3.600 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.17163E-02 ppm1 7.778 ppm2 1.087 CV 1
ASSI { 20}
(( segid " " and resid 257 and name HE1 ))
( segid " " and resid 259 and name HD2%)
3.000 1.100 1.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.30188E-02 ppm1 7.776 ppm2 0.554 CV 1
ASSI { 47}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 231 and name HA ))
3.200 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.19191E-02 ppm1 7.036 ppm2 5.092 CV 1
ASSI { 49}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 231 and name HB3 ))
2.600 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.49075E-02 ppm1 7.036 ppm2 2.757 CV 1
OR { 49}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 231 and name HB2 ))
ASSI { 51}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 282 and name HG3 ))
3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.91952E-03 ppm1 7.037 ppm2 1.134 CV 1
OR { 51}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 282 and name HG2 ))
OR { 51}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 234 and name HG12))
ASSI { 53}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 264 and name HZ3 ))
3.700 1.700 1.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.91137E-03 ppm1 7.028 ppm2 6.124 CV 1
ASSI { 55}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 230 and name HB3 ))
3.600 1.700 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.16091E-02 ppm1 7.030 ppm2 2.276 CV 1
OR { 55}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 254 and name HG3 ))
OR { 55}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 230 and name HG3 ))
ASSI { 56}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 230 and name HB2 ))
4.000 2.000 2.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.72221E-03 ppm1 7.033 ppm2 2.064 CV 1
OR { 56}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 230 and name HG2 ))
OR { 56}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 253 and name HB ))
OR { 56}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 254 and name HG2 ))
ASSI { 58}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 282 and name HB3 ))
4.300 2.300 1.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.81406E-03 ppm1 7.032 ppm2 1.574 CV 1
OR { 58}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 282 and name HD2 ))
OR { 58}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 282 and name HD3 ))
ASSI { 59}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 280 and name HB2 ))
3.000 3.000 3.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.24523E-02 ppm1 7.032 ppm2 1.421 CV 1
ASSI { 60}
( segid " " and resid 231 and name HD% )
( segid " " and resid 255 and name HG1%)
3.400 1.400 1.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.37282E-02 ppm1 7.033 ppm2 0.610 CV 1
OR { 60}
( segid " " and resid 231 and name HD% )
(( segid " " and resid 280 and name HG ))
ASSI { 74}
( segid " " and resid 161 and name HD% )
( segid " " and resid 210 and name HD1%)
3.500 1.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.27031E-02 ppm1 6.829 ppm2 0.610 CV 1
ASSI { 78}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 194 and name HZ3 ))
3.100 1.200 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.24469E-02 ppm1 6.824 ppm2 5.254 CV 1
OR { 78}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 211 and name HA ))
ASSI { 79}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 161 and name HA ))
2.800 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.34955E-02 ppm1 6.824 ppm2 5.006 CV 1
ASSI { 80}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 212 and name HD3 ))
3.100 3.100 2.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.12843E-02 ppm1 6.826 ppm2 4.027 CV 1
ASSI { 81}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 212 and name HA ))
2.800 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.28497E-02 ppm1 6.823 ppm2 3.631 CV 1
ASSI { 82}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 161 and name HB3 ))
2.600 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.38725E-02 ppm1 6.826 ppm2 2.915 CV 1
ASSI { 83}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 161 and name HB2 ))
2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.41307E-02 ppm1 6.825 ppm2 2.650 CV 1
ASSI { 84}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 207 and name HA ))
4.200 2.200 1.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 6.823 ppm2 2.535 CV 1
ASSI { 86}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 159 and name HB2 ))
3.300 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.29079E-02 ppm1 6.824 ppm2 2.103 CV 1
OR { 86}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 211 and name HB3 ))
ASSI { 87}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 185 and name HB ))
3.800 1.800 1.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16361E-02 ppm1 6.824 ppm2 1.883 CV 1
OR { 87}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 211 and name HB2 ))
ASSI { 88}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 210 and name HB3 ))
2.700 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.22558E-02 ppm1 6.827 ppm2 1.683 CV 1
ASSI { 89}
( segid " " and resid 161 and name HD% )
(( segid " " and resid 210 and name HB2 ))
3.500 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.36798E-02 ppm1 6.825 ppm2 1.363 CV 1
ASSI { 90}
( segid " " and resid 161 and name HD% )
( segid " " and resid 185 and name HG2%)
2.400 0.700 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.64875E-02 ppm1 6.826 ppm2 0.861 CV 1
ASSI { 91}
( segid " " and resid 161 and name HD% )
( segid " " and resid 185 and name HG1%)
4.500 2.600 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.90082E-03 ppm1 6.826 ppm2 0.386 CV 1
ASSI { 106}
( segid " " and resid 237 and name HD% )
( segid " " and resid 279 and name HD% )
3.500 3.500 2.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.17079E-02 ppm1 7.337 ppm2 6.529 CV 1
ASSI { 108}
( segid " " and resid 237 and name HD% )
( segid " " and resid 239 and name HB% )
4.000 2.000 2.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 7.339 ppm2 1.362 CV 1
ASSI { 122}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 274 and name HA ))
2.500 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.56629E-02 ppm1 7.067 ppm2 5.746 CV 1
ASSI { 123}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 244 and name HA ))
3.700 1.700 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.14840E-02 ppm1 7.069 ppm2 5.432 CV 1
ASSI { 125}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 275 and name HA ))
3.500 3.500 2.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.11954E-02 ppm1 7.069 ppm2 4.874 CV 1
OR { 125}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 243 and name HA ))
ASSI { 126}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 263 and name HA ))
3.800 1.800 1.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.13411E-02 ppm1 7.066 ppm2 4.526 CV 1
ASSI { 127}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 265 and name HA ))
3.400 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.15783E-02 ppm1 7.067 ppm2 4.327 CV 1
ASSI { 128}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 243 and name HB3 ))
2.800 1.000 1.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.29071E-02 ppm1 7.067 ppm2 3.392 CV 1
ASSI { 131}
( segid " " and resid 274 and name HD% )
( segid " " and resid 274 and name HE% )
2.000 0.500 0.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.27224E-01 ppm1 7.065 ppm2 6.773 CV 1
ASSI { 132}
( segid " " and resid 274 and name HD% )
(( segid " " and resid 265 and name HA ))
3.400 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.17189E-02 ppm1 7.062 ppm2 4.316 CV 1
ASSI { 134}
( segid " " and resid 274 and name HD% )
( segid " " and resid 259 and name HD1%)
3.000 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.30005E-02 ppm1 7.066 ppm2 1.070 CV 1
ASSI { 135}
( segid " " and resid 274 and name HD% )
( segid " " and resid 265 and name HG1%)
2.900 2.900 3.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.38227E-02 ppm1 7.066 ppm2 0.836 CV 1
ASSI { 157}
( segid " " and resid 237 and name HD% )
( segid " " and resid 275 and name HE% )
3.500 1.500 1.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.12128E-02 ppm1 7.336 ppm2 7.557 CV 1
ASSI { 159}
( segid " " and resid 237 and name HD% )
( segid " " and resid 237 and name HE% )
2.300 0.600 0.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.10635E-01 ppm1 7.338 ppm2 6.982 CV 1
ASSI { 160}
( segid " " and resid 237 and name HD% )
( segid " " and resid 279 and name HE% )
2.800 2.800 3.200 peak 160 spectrum 1 weight 0.10000E+01 volume 0.30895E-02 ppm1 7.338 ppm2 6.762 CV 1
ASSI { 161}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 246 and name HA ))
3.800 1.800 1.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.17520E-02 ppm1 7.340 ppm2 5.505 CV 1
ASSI { 162}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 275 and name HA ))
4.000 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.95437E-03 ppm1 7.340 ppm2 4.887 CV 1
OR { 162}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 247 and name HA ))
ASSI { 163}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 237 and name HA ))
2.700 2.700 3.300 peak 163 spectrum 1 weight 0.10000E+01 volume 0.55639E-02 ppm1 7.338 ppm2 4.690 CV 1
ASSI { 164}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 239 and name HA ))
3.200 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 7.337 ppm2 4.203 CV 1
ASSI { 165}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 237 and name HB3 ))
2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.46845E-02 ppm1 7.338 ppm2 3.219 CV 1
ASSI { 166}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 237 and name HB2 ))
2.600 2.600 3.400 peak 166 spectrum 1 weight 0.10000E+01 volume 0.46170E-02 ppm1 7.335 ppm2 2.999 CV 1
! ASSI { 167}
! ( segid " " and resid 237 and name HD% )
! (( segid " " and resid 235 and name HE2 ))
! 4.300 2.300 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.93753E-03 ppm1 7.339 ppm2 2.828 CV 1
ASSI { 168}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 244 and name HB3 ))
3.900 1.900 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 7.340 ppm2 2.477 CV 1
OR { 168}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 244 and name HB2 ))
ASSI { 172}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 235 and name HB2 ))
4.000 2.000 2.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.85945E-03 ppm1 7.340 ppm2 0.886 CV 1
! OR { 172}
! ( segid " " and resid 237 and name HD% )
! (( segid " " and resid 12 and name HG2 ))
OR { 172}
( segid " " and resid 237 and name HD% )
( segid " " and resid 248 and name HD2%)
OR { 172}
( segid " " and resid 237 and name HD% )
( segid " " and resid 248 and name HD1%)
OR { 172}
( segid " " and resid 237 and name HD% )
( segid " " and resid 245 and name HG2%)
ASSI { 173}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 276 and name HD2 ))
3.400 1.400 1.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.11276E-02 ppm1 7.335 ppm2 0.681 CV 1
ASSI { 174}
( segid " " and resid 237 and name HD% )
(( segid " " and resid 276 and name HG2 ))
3.700 1.700 1.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.78948E-03 ppm1 7.338 ppm2 -0.378 CV 1
ASSI { 197}
( segid " " and resid 226 and name HD% )
( segid " " and resid 226 and name HE% )
1.800 1.800 4.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.46883E-01 ppm1 7.060 ppm2 6.725 CV 1
ASSI { 200}
( segid " " and resid 226 and name HD% )
(( segid " " and resid 226 and name HA ))
2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.10341E-01 ppm1 7.059 ppm2 4.109 CV 1
ASSI { 201}
( segid " " and resid 226 and name HD% )
(( segid " " and resid 226 and name HB3 ))
2.400 2.400 3.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.11362E-01 ppm1 7.060 ppm2 3.183 CV 1
ASSI { 202}
( segid " " and resid 226 and name HD% )
(( segid " " and resid 226 and name HB2 ))
2.200 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.12645E-01 ppm1 7.060 ppm2 2.768 CV 1
ASSI { 206}
( segid " " and resid 226 and name HD% )
(( segid " " and resid 256 and name HB ))
4.000 2.000 2.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.17401E-02 ppm1 7.061 ppm2 1.524 CV 1
ASSI { 208}
( segid " " and resid 226 and name HD% )
( segid " " and resid 256 and name HD1%)
2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.32478E-02 ppm1 7.059 ppm2 0.649 CV 1
ASSI { 209}
( segid " " and resid 226 and name HD% )
( segid " " and resid 256 and name HG2%)
2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.47477E-02 ppm1 7.060 ppm2 0.529 CV 1
ASSI { 216}
( segid " " and resid 167 and name HD% )
( segid " " and resid 167 and name HE% )
2.300 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.97919E-02 ppm1 6.896 ppm2 6.791 CV 1
ASSI { 217}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 167 and name HA ))
2.700 2.700 3.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.36951E-02 ppm1 6.897 ppm2 4.727 CV 1
ASSI { 218}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 176 and name HA ))
3.300 3.300 2.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.23180E-02 ppm1 6.895 ppm2 4.608 CV 1
ASSI { 219}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 169 and name HA ))
3.700 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.69895E-03 ppm1 6.898 ppm2 4.056 CV 1
ASSI { 220}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 209 and name HB2 ))
4.200 2.300 1.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.72312E-03 ppm1 6.896 ppm2 2.836 CV 1
OR { 220}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 166 and name HB3 ))
ASSI { 221}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 167 and name HB2 ))
2.900 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.40235E-02 ppm1 6.898 ppm2 2.651 CV 1
ASSI { 223}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 177 and name HB2 ))
3.700 1.700 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.12358E-02 ppm1 6.897 ppm2 1.626 CV 1
OR { 223}
( segid " " and resid 167 and name HD% )
(( segid " " and resid 168 and name HB2 ))
ASSI { 225}
( segid " " and resid 167 and name HD% )
( segid " " and resid 177 and name HD2%)
3.600 1.600 1.600 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19111E-02 ppm1 6.898 ppm2 0.942 CV 1
OR { 225}
( segid " " and resid 167 and name HD% )
( segid " " and resid 205 and name HD1%)
ASSI { 242}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 208 and name HB2 ))
3.200 3.200 2.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.82360E-03 ppm1 7.304 ppm2 3.760 CV 1
! OR { 242}
! ( segid " " and resid 209 and name HE% )
! (( segid " " and resid 15 and name HA ))
ASSI { 243}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 209 and name HB2 ))
3.000 3.000 3.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.11068E-02 ppm1 7.306 ppm2 2.854 CV 1
ASSI { 245}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 14 and name HG2 ))
3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.15304E-02 ppm1 7.304 ppm2 1.783 CV 1
! OR { 245}
! ( segid " " and resid 209 and name HE% )
! (( segid " " and resid 16 and name HB3 ))
ASSI { 247}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 206 and name HG3 ))
3.100 3.100 2.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.84613E-03 ppm1 7.308 ppm2 0.798 CV 1
ASSI { 251}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 209 and name HA ))
3.800 1.800 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.18531E-02 ppm1 7.303 ppm2 4.230 CV 1
ASSI { 252}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 208 and name HB2 ))
3.100 3.100 2.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.83903E-03 ppm1 7.298 ppm2 3.789 CV 1
ASSI { 253}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 17 and name HD2 ))
3.000 3.000 3.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 7.303 ppm2 2.971 CV 1
ASSI { 254}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 167 and name HB2 ))
3.400 3.400 2.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.11958E-02 ppm1 7.303 ppm2 2.675 CV 1
OR { 254}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 167 and name HB3 ))
ASSI { 255}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 14 and name HG3 ))
3.300 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.21632E-02 ppm1 7.301 ppm2 2.052 CV 1
ASSI { 256}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 18 and name HB% ))
3.200 3.200 2.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.83060E-03 ppm1 7.299 ppm2 1.341 CV 1
ASSI { 257}
( segid " " and resid 209 and name HE% )
( segid " " and resid 165 and name HB% )
3.000 1.200 1.200 peak 257 spectrum 1 weight 0.10000E+01 volume 0.23693E-02 ppm1 7.302 ppm2 1.070 CV 1
ASSI { 263}
( segid " " and resid 209 and name HE% )
(( segid " " and resid 209 and name HB3 ))
3.600 1.600 1.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 7.303 ppm2 3.212 CV 1
ASSI { 274}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 208 and name HA ))
3.100 3.100 2.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.86467E-03 ppm1 7.208 ppm2 4.003 CV 1
OR { 274}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 206 and name HA ))
ASSI { 275}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 14 and name HG3 ))
3.900 1.900 1.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.92119E-03 ppm1 7.209 ppm2 2.041 CV 1
ASSI { 281}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 209 and name HA ))
2.800 1.000 1.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.28801E-02 ppm1 7.207 ppm2 4.219 CV 1
ASSI { 282}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 209 and name HB3 ))
2.700 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.35876E-02 ppm1 7.209 ppm2 3.226 CV 1
ASSI { 283}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 209 and name HB2 ))
2.900 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.31960E-02 ppm1 7.206 ppm2 2.850 CV 1
ASSI { 284}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 167 and name HB3 ))
3.500 3.500 2.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 7.204 ppm2 2.691 CV 1
ASSI { 285}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 206 and name HD2 ))
3.600 3.600 2.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.93408E-03 ppm1 7.206 ppm2 2.355 CV 1
ASSI { 286}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 206 and name HB3 ))
3.400 1.400 1.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.33919E-02 ppm1 7.206 ppm2 1.695 CV 1
ASSI { 287}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 206 and name HB2 ))
3.400 3.400 2.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.14512E-02 ppm1 7.207 ppm2 1.354 CV 1
ASSI { 288}
( segid " " and resid 209 and name HD% )
( segid " " and resid 165 and name HB% )
2.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.31257E-02 ppm1 7.209 ppm2 1.058 CV 1
ASSI { 289}
( segid " " and resid 209 and name HD% )
( segid " " and resid 177 and name HD2%)
3.100 3.100 2.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 7.206 ppm2 0.923 CV 1
ASSI { 290}
( segid " " and resid 209 and name HD% )
( segid " " and resid 164 and name HD1%)
3.800 1.800 1.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.76896E-03 ppm1 7.205 ppm2 0.657 CV 1
ASSI { 291}
( segid " " and resid 209 and name HD% )
(( segid " " and resid 206 and name HG2 ))
3.300 1.400 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.10144E-02 ppm1 7.206 ppm2 0.576 CV 1
ASSI { 301}
( segid " " and resid 195 and name HE% )
( segid " " and resid 195 and name HD% )
2.100 0.600 0.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.14711E-01 ppm1 7.034 ppm2 5.658 CV 1
ASSI { 303}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 195 and name HA ))
3.700 1.700 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.17101E-02 ppm1 7.033 ppm2 4.105 CV 1
ASSI { 304}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 203 and name HA2 ))
4.300 2.300 1.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 7.034 ppm2 3.909 CV 1
OR { 304}
(( segid " " and resid 195 and name HZ ))
(( segid " " and resid 203 and name HA2 ))
ASSI { 305}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 195 and name HB3 ))
3.800 1.800 1.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.19596E-02 ppm1 7.035 ppm2 2.307 CV 1
OR { 305}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 197 and name HB3 ))
ASSI { 306}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 186 and name HB ))
3.400 3.400 2.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.32639E-02 ppm1 7.033 ppm2 1.931 CV 1
OR { 306}
(( segid " " and resid 195 and name HZ ))
(( segid " " and resid 186 and name HB ))
ASSI { 307}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 202 and name HB3 ))
3.700 1.700 1.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.12219E-02 ppm1 7.031 ppm2 1.643 CV 1
OR { 307}
(( segid " " and resid 195 and name HZ ))
(( segid " " and resid 202 and name HB3 ))
ASSI { 308}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 202 and name HB2 ))
3.100 1.200 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.17205E-02 ppm1 7.034 ppm2 1.522 CV 1
OR { 308}
(( segid " " and resid 195 and name HZ ))
(( segid " " and resid 202 and name HB2 ))
OR { 308}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 202 and name HG3 ))
ASSI { 309}
( segid " " and resid 195 and name HE% )
( segid " " and resid 186 and name HG2%)
3.200 1.300 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.24404E-02 ppm1 7.034 ppm2 0.940 CV 1
ASSI { 310}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 195 and name HB2 ))
4.100 2.100 1.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.12573E-02 ppm1 7.034 ppm2 0.571 CV 1
ASSI { 313}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 203 and name HA1 ))
3.200 3.200 2.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 5.660 ppm2 3.707 CV 1
ASSI { 316}
( segid " " and resid 195 and name HD% )
( segid " " and resid 195 and name HE% )
2.000 0.500 0.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.23247E-01 ppm1 5.656 ppm2 7.027 CV 1
ASSI { 318}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 204 and name HA ))
3.400 1.400 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 5.655 ppm2 5.322 CV 1
OR { 318}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 196 and name HA ))
ASSI { 319}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 195 and name HA ))
2.800 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.31250E-02 ppm1 5.654 ppm2 4.104 CV 1
ASSI { 321}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 203 and name HA2 ))
4.000 2.000 2.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 5.652 ppm2 3.906 CV 1
ASSI { 324}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 195 and name HB3 ))
2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.34650E-02 ppm1 5.657 ppm2 2.306 CV 1
ASSI { 325}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 186 and name HB ))
3.000 3.000 3.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.67604E-02 ppm1 5.656 ppm2 1.938 CV 1
ASSI { 326}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 202 and name HB3 ))
3.600 3.600 2.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 5.658 ppm2 1.646 CV 1
ASSI { 327}
( segid " " and resid 195 and name HD% )
( segid " " and resid 186 and name HG2%)
2.700 2.700 3.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.43542E-02 ppm1 5.656 ppm2 0.942 CV 1
ASSI { 328}
( segid " " and resid 195 and name HD% )
( segid " " and resid 186 and name HG1%)
2.700 2.700 3.300 peak 328 spectrum 1 weight 0.10000E+01 volume 0.35561E-02 ppm1 5.657 ppm2 0.744 CV 1
ASSI { 329}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 195 and name HB2 ))
2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.26904E-02 ppm1 5.655 ppm2 0.578 CV 1
ASSI { 333}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 203 and name HA1 ))
2.900 2.900 3.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.20376E-02 ppm1 7.037 ppm2 3.713 CV 1
OR { 333}
(( segid " " and resid 195 and name HZ ))
(( segid " " and resid 203 and name HA1 ))
ASSI { 334}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 204 and name HB3 ))
3.900 3.900 2.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.13379E-02 ppm1 7.037 ppm2 3.111 CV 1
ASSI { 335}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 186 and name HB ))
3.400 3.400 2.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 7.035 ppm2 1.938 CV 1
OR { 335}
(( segid " " and resid 195 and name HZ ))
(( segid " " and resid 186 and name HB ))
ASSI { 338}
( segid " " and resid 195 and name HE% )
(( segid " " and resid 203 and name HA2 ))
4.200 2.200 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.16395E-02 ppm1 7.035 ppm2 3.915 CV 1
OR { 338}
(( segid " " and resid 195 and name HZ ))
(( segid " " and resid 203 and name HA2 ))
ASSI { 340}
( segid " " and resid 195 and name HE% )
( segid " " and resid 186 and name HG1%)
3.200 1.300 1.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 7.032 ppm2 0.744 CV 1
ASSI { 350}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 279 and name HA ))
2.300 0.700 0.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.68403E-02 ppm1 6.532 ppm2 4.964 CV 1
ASSI { 352}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 279 and name HB2 ))
2.800 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.34038E-02 ppm1 6.532 ppm2 2.996 CV 1
OR { 352}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 237 and name HB2 ))
ASSI { 354}
( segid " " and resid 279 and name HD% )
( segid " " and resid 278 and name HE% )
3.100 3.100 2.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 6.535 ppm2 1.904 CV 1
OR { 354}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 12 and name HB3 ))
OR { 354}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 281 and name HB2 ))
ASSI { 356}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 12 and name HG3 ))
3.800 1.800 1.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.75059E-03 ppm1 6.531 ppm2 1.552 CV 1
ASSI { 358}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 278 and name HB2 ))
3.800 1.900 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.94633E-03 ppm1 6.530 ppm2 1.307 CV 1
OR { 358}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 235 and name HD3 ))
ASSI { 359}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 235 and name HG3 ))
3.200 1.200 1.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.16549E-02 ppm1 6.532 ppm2 1.159 CV 1
ASSI { 360}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 235 and name HG2 ))
3.300 1.400 1.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.15936E-02 ppm1 6.534 ppm2 1.038 CV 1
OR { 360}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 235 and name HB3 ))
ASSI { 361}
( segid " " and resid 279 and name HD% )
( segid " " and resid 234 and name HD1%)
3.200 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.32952E-02 ppm1 6.532 ppm2 0.912 CV 1
OR { 361}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 12 and name HG2 ))
ASSI { 362}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 276 and name HB2 ))
3.400 1.500 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.14561E-02 ppm1 6.534 ppm2 0.208 CV 1
OR { 362}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 276 and name HG3 ))
ASSI { 365}
( segid " " and resid 279 and name HD% )
(( segid " " and resid 279 and name HB3 ))
2.900 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.21719E-02 ppm1 6.527 ppm2 3.960 CV 1
ASSI { 369}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 6 and name HB2 ))
3.900 1.900 1.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.81175E-03 ppm1 5.656 ppm2 1.727 CV 1
OR { 369}
( segid " " and resid 195 and name HD% )
(( segid " " and resid 175 and name HB3 ))
ASSI { 377}
( segid " " and resid 275 and name HE% )
( segid " " and resid 237 and name HD% )
3.500 1.500 1.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 7.543 ppm2 7.329 CV 1
ASSI { 378}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 235 and name HB2 ))
3.700 1.700 1.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.65841E-03 ppm1 7.542 ppm2 0.880 CV 1
OR { 378}
( segid " " and resid 275 and name HE% )
( segid " " and resid 245 and name HG2%)
! OR { 378}
! ( segid " " and resid 275 and name HE% )
! (( segid " " and resid 12 and name HG2 ))
ASSI { 382}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 247 and name HB2 ))
3.100 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.12618E-02 ppm1 7.538 ppm2 1.321 CV 1
OR { 382}
( segid " " and resid 275 and name HE% )
( segid " " and resid 239 and name HB% )
ASSI { 401}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 247 and name HB3 ))
4.000 2.000 2.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.16742E-02 ppm1 7.542 ppm2 1.642 CV 1
ASSI { 402}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 247 and name HB2 ))
3.100 1.200 1.200 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 7.542 ppm2 1.323 CV 1
OR { 402}
( segid " " and resid 275 and name HE% )
( segid " " and resid 239 and name HB% )
ASSI { 404}
( segid " " and resid 275 and name HE% )
( segid " " and resid 280 and name HD2%)
3.900 3.900 2.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.10621E-02 ppm1 7.543 ppm2 0.522 CV 1
OR { 404}
( segid " " and resid 275 and name HE% )
( segid " " and resid 280 and name HD1%)
ASSI { 407}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 245 and name HA ))
3.100 3.100 2.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.91196E-03 ppm1 7.534 ppm2 4.436 CV 1
OR { 407}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 236 and name HA ))
ASSI { 408}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 279 and name HB3 ))
3.600 1.600 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 7.537 ppm2 3.960 CV 1
ASSI { 409}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 237 and name HB3 ))
3.100 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.14905E-02 ppm1 7.541 ppm2 3.220 CV 1
ASSI { 410}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 237 and name HB2 ))
3.900 1.900 1.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.23200E-02 ppm1 7.540 ppm2 3.005 CV 1
ASSI { 411}
( segid " " and resid 275 and name HE% )
( segid " " and resid 233 and name HB% )
4.100 2.100 1.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 7.539 ppm2 1.447 CV 1
ASSI { 412}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 247 and name HG ))
3.500 1.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 7.540 ppm2 1.161 CV 1
OR { 412}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 235 and name HG3 ))
ASSI { 413}
( segid " " and resid 275 and name HE% )
( segid " " and resid 245 and name HG2%)
3.400 1.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.66471E-03 ppm1 7.540 ppm2 0.873 CV 1
OR { 413}
( segid " " and resid 275 and name HE% )
(( segid " " and resid 12 and name HG2 ))
OR { 413}
( segid " " and resid 275 and name HE% )
( segid " " and resid 248 and name HD2%)
ASSI { 414}
( segid " " and resid 275 and name HE% )
( segid " " and resid 247 and name HD1%)
3.700 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.11675E-02 ppm1 7.538 ppm2 0.618 CV 1
ASSI { 415}
( segid " " and resid 275 and name HE% )
( segid " " and resid 247 and name HD2%)
3.400 1.500 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.16114E-02 ppm1 7.541 ppm2 -0.296 CV 1
ASSI { 448}
(( segid " " and resid 204 and name HD1 ))
( segid " " and resid 195 and name HE% )
3.700 1.700 1.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.79299E-03 ppm1 7.466 ppm2 7.015 CV 1
OR { 448}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 204 and name HZ2 ))
ASSI { 449}
(( segid " " and resid 204 and name HD1 ))
( segid " " and resid 195 and name HD% )
3.700 1.700 1.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.74805E-03 ppm1 7.466 ppm2 5.667 CV 1
ASSI { 450}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 203 and name HA2 ))
4.300 2.300 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.68187E-03 ppm1 7.465 ppm2 3.898 CV 1
ASSI { 458}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 203 and name HA1 ))
3.700 1.800 1.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.66481E-03 ppm1 7.470 ppm2 3.699 CV 1
ASSI { 464}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 204 and name HA ))
3.900 1.900 1.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.68974E-03 ppm1 7.464 ppm2 5.346 CV 1
ASSI { 465}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 173 and name HA ))
3.600 1.600 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.15411E-02 ppm1 7.464 ppm2 4.807 CV 1
ASSI { 466}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 173 and name HB3 ))
2.700 2.700 3.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.59032E-02 ppm1 7.466 ppm2 4.136 CV 1
ASSI { 467}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 173 and name HB2 ))
2.600 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.45979E-02 ppm1 7.466 ppm2 4.062 CV 1
ASSI { 469}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 204 and name HB3 ))
3.900 1.900 1.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.14340E-02 ppm1 7.464 ppm2 3.099 CV 1
ASSI { 470}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 204 and name HB2 ))
2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.22790E-02 ppm1 7.469 ppm2 2.641 CV 1
ASSI { 472}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 9 and name HB3 ))
3.200 3.200 2.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.79777E-03 ppm1 7.462 ppm2 1.803 CV 1
OR { 472}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 169 and name HB3 ))
ASSI { 473}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 6 and name HG2 ))
4.200 2.200 1.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.70870E-03 ppm1 7.465 ppm2 1.381 CV 1
OR { 473}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 6 and name HG3 ))
OR { 473}
(( segid " " and resid 204 and name HD1 ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 478}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 193 and name HZ2 ))
3.900 1.900 1.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.92592E-03 ppm1 6.852 ppm2 7.184 CV 1
OR { 478}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 193 and name HE3 ))
ASSI { 481}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 191 and name HB3 ))
2.700 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.48095E-02 ppm1 6.853 ppm2 4.043 CV 1
OR { 481}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 191 and name HB2 ))
! ASSI { 482}
! (( segid " " and resid 193 and name HD1 ))
! (( segid " " and resid 12 and name HD3 ))
! 3.700 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15493E-02 ppm1 6.852 ppm2 3.808 CV 1
ASSI { 482}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 191 and name HA ))
3.700 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15493E-02 ppm1 6.852 ppm2 3.808 CV 1
ASSI { 483}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 193 and name HB3 ))
3.600 1.600 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.17514E-02 ppm1 6.854 ppm2 3.382 CV 1
ASSI { 484}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 193 and name HB2 ))
2.700 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22066E-02 ppm1 6.851 ppm2 2.825 CV 1
ASSI { 485}
(( segid " " and resid 193 and name HD1 ))
( segid " " and resid 278 and name HE% )
2.600 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.36093E-02 ppm1 6.852 ppm2 1.905 CV 1
ASSI { 486}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 8 and name HG2 ))
4.100 2.100 1.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.95100E-03 ppm1 6.855 ppm2 1.523 CV 1
OR { 486}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 487}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 13 and name HB3 ))
3.600 3.600 2.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 6.853 ppm2 1.341 CV 1
ASSI { 488}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 8 and name HB3 ))
3.700 1.700 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 6.851 ppm2 1.029 CV 1
ASSI { 489}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 8 and name HB2 ))
3.200 1.300 1.300 peak 489 spectrum 1 weight 0.10000E+01 volume 0.84036E-03 ppm1 6.851 ppm2 0.403 CV 1
ASSI { 502}
(( segid " " and resid 193 and name HD1 ))
(( segid " " and resid 13 and name HD3 ))
3.700 1.700 1.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.74523E-03 ppm1 6.853 ppm2 3.186 CV 1
ASSI { 507}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 264 and name HZ2 ))
2.400 0.700 0.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.99071E-02 ppm1 7.205 ppm2 7.368 CV 1
ASSI { 509}
(( segid " " and resid 264 and name HH2 ))
( segid " " and resid 231 and name HE% )
3.200 3.200 2.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.24874E-02 ppm1 7.205 ppm2 6.864 CV 1
ASSI { 510}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 264 and name HZ3 ))
2.600 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.52442E-02 ppm1 7.205 ppm2 6.126 CV 1
ASSI { 512}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 190 and name HG2 ))
2.900 1.100 1.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.28293E-02 ppm1 7.205 ppm2 2.478 CV 1
ASSI { 513}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 190 and name HB3 ))
3.500 1.500 1.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 7.201 ppm2 2.259 CV 1
ASSI { 514}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 277 and name HB3 ))
3.900 1.900 1.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.96071E-03 ppm1 7.206 ppm2 1.523 CV 1
ASSI { 515}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 277 and name HB2 ))
3.000 1.100 1.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.24511E-02 ppm1 7.205 ppm2 1.175 CV 1
OR { 515}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 258 and name HB3 ))
ASSI { 516}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 258 and name HB2 ))
3.200 3.200 2.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.86297E-03 ppm1 7.208 ppm2 0.867 CV 1
ASSI { 517}
(( segid " " and resid 264 and name HH2 ))
( segid " " and resid 255 and name HG1%)
3.700 1.700 1.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.16304E-02 ppm1 7.207 ppm2 0.621 CV 1
OR { 517}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 280 and name HG ))
ASSI { 531}
(( segid " " and resid 264 and name HH2 ))
(( segid " " and resid 277 and name HB3 ))
4.000 2.000 2.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.84754E-03 ppm1 7.206 ppm2 1.507 CV 1
ASSI { 538}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 263 and name HA ))
3.800 1.800 1.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.10404E-02 ppm1 6.669 ppm2 4.512 CV 1
ASSI { 539}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 15 and name HD2 ))
3.100 3.100 2.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.91752E-03 ppm1 6.671 ppm2 0.767 CV 1
OR { 539}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 548}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 193 and name HZ3 ))
2.800 0.900 0.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.30189E-02 ppm1 7.254 ppm2 6.717 CV 1
ASSI { 549}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 205 and name HA ))
4.500 2.500 1.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.82376E-03 ppm1 7.257 ppm2 4.987 CV 1
ASSI { 550}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 13 and name HA ))
3.200 1.300 1.300 peak 550 spectrum 1 weight 0.10000E+01 volume 0.15640E-02 ppm1 7.254 ppm2 3.947 CV 1
ASSI { 551}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 14 and name HD3 ))
3.500 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.13227E-02 ppm1 7.254 ppm2 3.644 CV 1
ASSI { 553}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 14 and name HG2 ))
3.900 1.900 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.83983E-03 ppm1 7.259 ppm2 1.798 CV 1
OR { 553}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 9 and name HB3 ))
ASSI { 554}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 13 and name HB3 ))
3.600 1.600 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.72495E-03 ppm1 7.251 ppm2 1.385 CV 1
ASSI { 555}
(( segid " " and resid 193 and name HH2 ))
(( segid " " and resid 13 and name HB2 ))
4.500 2.500 1.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.64455E-03 ppm1 7.251 ppm2 -0.093 CV 1
ASSI { 559}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 194 and name HA ))
4.400 2.500 1.600 peak 559 spectrum 1 weight 0.10000E+01 volume 0.66121E-03 ppm1 7.158 ppm2 5.944 CV 1
ASSI { 560}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 8 and name HD3 ))
3.400 1.400 1.400 peak 560 spectrum 1 weight 0.10000E+01 volume 0.95834E-03 ppm1 7.156 ppm2 3.386 CV 1
OR { 560}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 193 and name HB3 ))
ASSI { 561}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 6 and name HB2 ))
3.300 3.300 2.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.64045E-03 ppm1 7.152 ppm2 1.759 CV 1
ASSI { 570}
(( segid " " and resid 194 and name HH2 ))
(( segid " " and resid 194 and name HZ2 ))
2.500 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.76729E-02 ppm1 6.996 ppm2 7.273 CV 1
ASSI { 572}
(( segid " " and resid 194 and name HH2 ))
(( segid " " and resid 194 and name HE3 ))
4.000 2.000 2.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 6.995 ppm2 6.745 CV 1
ASSI { 573}
(( segid " " and resid 194 and name HH2 ))
(( segid " " and resid 194 and name HZ3 ))
2.600 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.49246E-02 ppm1 6.996 ppm2 5.255 CV 1
ASSI { 574}
(( segid " " and resid 194 and name HH2 ))
( segid " " and resid 260 and name HD2%)
3.900 1.900 1.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.16624E-02 ppm1 6.994 ppm2 1.115 CV 1
ASSI { 576}
(( segid " " and resid 194 and name HH2 ))
( segid " " and resid 210 and name HD1%)
3.900 1.900 1.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.11875E-02 ppm1 6.997 ppm2 0.576 CV 1
ASSI { 578}
(( segid " " and resid 194 and name HH2 ))
(( segid " " and resid 260 and name HG ))
4.100 2.100 1.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.79718E-03 ppm1 6.993 ppm2 1.938 CV 1
OR { 578}
(( segid " " and resid 194 and name HH2 ))
(( segid " " and resid 260 and name HB3 ))
ASSI { 584}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 15 and name HB3 ))
2.900 2.900 3.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 6.673 ppm2 1.753 CV 1
! OR { 584}
! (( segid " " and resid 263 and name HD1 ))
! (( segid " " and resid 16 and name HB3 ))
ASSI { 591}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 261 and name HA ))
3.100 3.100 2.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.97337E-03 ppm1 6.671 ppm2 4.138 CV 1
ASSI { 592}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 15 and name HA ))
3.200 1.300 1.300 peak 592 spectrum 1 weight 0.10000E+01 volume 0.15624E-02 ppm1 6.665 ppm2 3.764 CV 1
ASSI { 593}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 16 and name HD3 ))
3.400 1.400 1.400 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10780E-02 ppm1 6.669 ppm2 3.390 CV 1
ASSI { 594}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 263 and name HB3 ))
3.300 1.400 1.400 peak 594 spectrum 1 weight 0.10000E+01 volume 0.31902E-02 ppm1 6.669 ppm2 3.111 CV 1
ASSI { 595}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 263 and name HB2 ))
3.100 1.200 1.200 peak 595 spectrum 1 weight 0.10000E+01 volume 0.20428E-02 ppm1 6.669 ppm2 2.728 CV 1
ASSI { 596}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 15 and name HD2 ))
3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 6.671 ppm2 0.754 CV 1
OR { 596}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 597}
(( segid " " and resid 263 and name HD1 ))
(( segid " " and resid 276 and name HG3 ))
3.600 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.77736E-03 ppm1 6.671 ppm2 0.172 CV 1
ASSI { 602}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 204 and name HE3 ))
4.300 2.300 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.70667E-03 ppm1 7.160 ppm2 7.551 CV 1
ASSI { 609}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 204 and name HZ2 ))
2.400 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.90430E-02 ppm1 7.157 ppm2 7.037 CV 1
ASSI { 610}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 189 and name HB2 ))
3.200 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.14587E-02 ppm1 7.157 ppm2 4.305 CV 1
ASSI { 611}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 8 and name HA ))
3.700 1.700 1.700 peak 611 spectrum 1 weight 0.10000E+01 volume 0.81800E-03 ppm1 7.155 ppm2 2.334 CV 1
ASSI { 612}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 6 and name HB3 ))
3.600 1.600 1.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 7.154 ppm2 1.870 CV 1
! ASSI { 613}
! (( segid " " and resid 204 and name HH2 ))
! (( segid " " and resid 8 and name HG3 ))
! 3.700 1.700 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.73161E-03 ppm1 7.155 ppm2 1.523 CV 1
ASSI { 614}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 6 and name HG2 ))
3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.86114E-03 ppm1 7.156 ppm2 1.349 CV 1
ASSI { 616}
(( segid " " and resid 204 and name HH2 ))
(( segid " " and resid 195 and name HB2 ))
3.500 1.500 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.77466E-03 ppm1 7.155 ppm2 0.553 CV 1
! ASSI { 619}
! (( segid " " and resid 263 and name HH2 ))
! (( segid " " and resid 12 and name HG3 ))
! 3.800 1.800 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.14913E-02 ppm1 7.045 ppm2 1.542 CV 1
ASSI { 622}
(( segid " " and resid 263 and name HH2 ))
(( segid " " and resid 263 and name HZ2 ))
2.400 0.700 0.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.92611E-02 ppm1 7.040 ppm2 7.157 CV 1
ASSI { 624}
(( segid " " and resid 263 and name HH2 ))
(( segid " " and resid 263 and name HZ3 ))
2.700 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.38623E-02 ppm1 7.041 ppm2 6.523 CV 1
ASSI { 626}
(( segid " " and resid 263 and name HH2 ))
(( segid " " and resid 276 and name HD3 ))
3.300 1.400 1.400 peak 626 spectrum 1 weight 0.10000E+01 volume 0.13060E-02 ppm1 7.040 ppm2 2.169 CV 1
ASSI { 627}
(( segid " " and resid 263 and name HH2 ))
(( segid " " and resid 276 and name HD2 ))
3.900 1.900 1.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.11349E-02 ppm1 7.040 ppm2 0.701 CV 1
ASSI { 634}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 277 and name HB3 ))
3.400 1.400 1.400 peak 634 spectrum 1 weight 0.10000E+01 volume 0.10514E-02 ppm1 7.187 ppm2 1.530 CV 1
ASSI { 635}
(( segid " " and resid 264 and name HD1 ))
( segid " " and resid 265 and name HG1%)
4.600 2.700 1.400 peak 635 spectrum 1 weight 0.10000E+01 volume 0.10438E-02 ppm1 7.189 ppm2 0.860 CV 1
OR { 635}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 258 and name HB2 ))
ASSI { 637}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 259 and name HG ))
3.700 1.700 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 7.180 ppm2 1.166 CV 1
OR { 637}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 258 and name HB3 ))
ASSI { 647}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 264 and name HA ))
2.200 0.600 0.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.86075E-02 ppm1 7.183 ppm2 5.188 CV 1
ASSI { 649}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 276 and name HA ))
4.100 2.100 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.68068E-03 ppm1 7.183 ppm2 3.458 CV 1
ASSI { 651}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 258 and name HA ))
3.200 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.32205E-02 ppm1 7.185 ppm2 2.141 CV 1
ASSI { 652}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 259 and name HB2 ))
3.200 3.200 2.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.17699E-02 ppm1 7.183 ppm2 1.698 CV 1
ASSI { 653}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 258 and name HB3 ))
3.500 1.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 7.183 ppm2 1.160 CV 1
OR { 653}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 277 and name HB2 ))
ASSI { 654}
(( segid " " and resid 264 and name HD1 ))
( segid " " and resid 265 and name HG1%)
4.800 2.900 1.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.98297E-03 ppm1 7.184 ppm2 0.845 CV 1
ASSI { 655}
(( segid " " and resid 264 and name HD1 ))
( segid " " and resid 259 and name HD2%)
4.100 2.100 1.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 7.185 ppm2 0.556 CV 1
ASSI { 656}
(( segid " " and resid 264 and name HD1 ))
( segid " " and resid 255 and name HG2%)
4.100 2.100 1.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.81094E-03 ppm1 7.188 ppm2 0.370 CV 1
OR { 656}
(( segid " " and resid 264 and name HD1 ))
(( segid " " and resid 276 and name HB3 ))
ASSI { 665}
(( segid " " and resid 204 and name HZ3 ))
(( segid " " and resid 204 and name HA ))
3.200 3.200 2.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.76038E-03 ppm1 7.202 ppm2 5.337 CV 1
ASSI { 666}
(( segid " " and resid 204 and name HZ3 ))
(( segid " " and resid 189 and name HB3 ))
3.500 1.600 1.600 peak 666 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 7.203 ppm2 4.764 CV 1
ASSI { 667}
(( segid " " and resid 204 and name HZ3 ))
(( segid " " and resid 189 and name HB2 ))
2.900 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.18633E-02 ppm1 7.202 ppm2 4.308 CV 1
ASSI { 668}
(( segid " " and resid 204 and name HZ3 ))
(( segid " " and resid 193 and name HB3 ))
3.800 1.800 1.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.65599E-03 ppm1 7.201 ppm2 3.383 CV 1
ASSI { 670}
(( segid " " and resid 204 and name HZ3 ))
(( segid " " and resid 204 and name HE3 ))
2.900 1.000 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.20942E-02 ppm1 7.198 ppm2 7.523 CV 1
ASSI { 677}
(( segid " " and resid 204 and name HZ3 ))
(( segid " " and resid 8 and name HA ))
4.100 2.100 1.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.70514E-03 ppm1 7.196 ppm2 2.307 CV 1
OR { 677}
(( segid " " and resid 204 and name HZ3 ))
(( segid " " and resid 195 and name HB3 ))
ASSI { 682}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 189 and name HB2 ))
4.000 2.000 2.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.79064E-03 ppm1 7.418 ppm2 4.310 CV 1
ASSI { 693}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 194 and name HA ))
2.200 0.600 0.600 peak 693 spectrum 1 weight 0.10000E+01 volume 0.74583E-02 ppm1 7.421 ppm2 5.918 CV 1
ASSI { 694}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 193 and name HA ))
3.700 1.700 1.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.90119E-03 ppm1 7.422 ppm2 5.090 CV 1
ASSI { 695}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 189 and name HB3 ))
3.600 1.600 1.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.11121E-02 ppm1 7.423 ppm2 4.761 CV 1
ASSI { 696}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 188 and name HA ))
3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.52780E-02 ppm1 7.421 ppm2 4.171 CV 1
ASSI { 697}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 194 and name HB3 ))
3.200 1.300 1.300 peak 697 spectrum 1 weight 0.10000E+01 volume 0.24176E-02 ppm1 7.422 ppm2 2.929 CV 1
OR { 697}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 194 and name HB2 ))
ASSI { 698}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 188 and name HB3 ))
3.900 1.900 1.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.10487E-02 ppm1 7.419 ppm2 1.423 CV 1
ASSI { 699}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 188 and name HB2 ))
3.600 1.700 1.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.14943E-02 ppm1 7.422 ppm2 1.155 CV 1
! ASSI { 700}
! (( segid " " and resid 194 and name HD1 ))
! (( segid " " and resid 8 and name HB2 ))
! 4.300 2.300 1.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.10238E-02 ppm1 7.423 ppm2 0.405 CV 1
ASSI { 701}
(( segid " " and resid 194 and name HD1 ))
( segid " " and resid 207 and name HB% )
3.300 1.300 1.300 peak 701 spectrum 1 weight 0.10000E+01 volume 0.14840E-02 ppm1 7.424 ppm2 -0.357 CV 1
ASSI { 706}
(( segid " " and resid 194 and name HD1 ))
(( segid " " and resid 188 and name HG3 ))
4.400 2.400 1.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.83364E-03 ppm1 7.415 ppm2 0.445 CV 1
ASSI { 711}
(( segid " " and resid 264 and name HE3 ))
( segid " " and resid 255 and name HG2%)
3.200 1.300 1.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.15692E-02 ppm1 6.799 ppm2 0.372 CV 1
ASSI { 720}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 194 and name HZ3 ))
2.900 1.100 1.100 peak 720 spectrum 1 weight 0.10000E+01 volume 0.27952E-02 ppm1 6.728 ppm2 5.256 CV 1
ASSI { 721}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 207 and name HA ))
3.700 1.700 1.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.70305E-03 ppm1 6.728 ppm2 2.539 CV 1
ASSI { 722}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 205 and name HB ))
4.000 2.000 2.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.95051E-03 ppm1 6.728 ppm2 1.736 CV 1
OR { 722}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 260 and name HB2 ))
ASSI { 723}
(( segid " " and resid 194 and name HE3 ))
( segid " " and resid 185 and name HG2%)
2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.34928E-02 ppm1 6.730 ppm2 0.869 CV 1
ASSI { 724}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 194 and name HB3 ))
3.100 1.200 1.200 peak 724 spectrum 1 weight 0.10000E+01 volume 0.20287E-02 ppm1 6.725 ppm2 2.920 CV 1
OR { 724}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 194 and name HB2 ))
ASSI { 725}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 159 and name HB2 ))
3.400 3.400 2.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.64978E-03 ppm1 6.721 ppm2 2.117 CV 1
OR { 725}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 211 and name HB3 ))
ASSI { 727}
(( segid " " and resid 194 and name HE3 ))
( segid " " and resid 210 and name HD1%)
2.800 1.000 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.30222E-02 ppm1 6.724 ppm2 0.584 CV 1
ASSI { 734}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 204 and name HZ3 ))
2.800 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.31064E-02 ppm1 7.532 ppm2 7.190 CV 1
OR { 734}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 193 and name HE3 ))
ASSI { 735}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 194 and name HA ))
3.300 1.400 1.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 7.532 ppm2 5.916 CV 1
ASSI { 736}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 204 and name HA ))
3.000 1.200 1.200 peak 736 spectrum 1 weight 0.10000E+01 volume 0.16885E-02 ppm1 7.533 ppm2 5.328 CV 1
ASSI { 737}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 193 and name HA ))
4.000 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.96818E-03 ppm1 7.535 ppm2 5.082 CV 1
ASSI { 738}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 195 and name HA ))
3.400 1.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 7.532 ppm2 4.094 CV 1
ASSI { 739}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 204 and name HB3 ))
3.100 1.200 1.200 peak 739 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 7.534 ppm2 3.079 CV 1
ASSI { 740}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 193 and name HB2 ))
4.200 2.200 1.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 7.533 ppm2 2.833 CV 1
ASSI { 741}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 8 and name HA ))
4.000 2.000 2.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.75025E-03 ppm1 7.533 ppm2 2.303 CV 1
OR { 741}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 195 and name HB3 ))
ASSI { 745}
(( segid " " and resid 204 and name HE3 ))
(( segid " " and resid 193 and name HB3 ))
2.700 0.900 0.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.18728E-02 ppm1 7.530 ppm2 3.378 CV 1
ASSI { 757}
(( segid " " and resid 264 and name HE3 ))
(( segid " " and resid 264 and name HZ2 ))
4.000 2.000 2.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.71889E-03 ppm1 6.799 ppm2 7.359 CV 1
ASSI { 760}
(( segid " " and resid 264 and name HE3 ))
(( segid " " and resid 264 and name HH2 ))
3.800 1.800 1.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.15559E-02 ppm1 6.793 ppm2 7.200 CV 1
ASSI { 761}
(( segid " " and resid 264 and name HE3 ))
(( segid " " and resid 264 and name HZ3 ))
2.800 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.28665E-02 ppm1 6.795 ppm2 6.133 CV 1
ASSI { 763}
(( segid " " and resid 264 and name HE3 ))
( segid " " and resid 266 and name HG2%)
4.400 2.400 1.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.89649E-03 ppm1 6.793 ppm2 0.904 CV 1
ASSI { 764}
(( segid " " and resid 264 and name HE3 ))
( segid " " and resid 255 and name HG1%)
2.900 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.41635E-02 ppm1 6.794 ppm2 0.615 CV 1
OR { 764}
(( segid " " and resid 264 and name HE3 ))
(( segid " " and resid 280 and name HG ))
ASSI { 765}
(( segid " " and resid 264 and name HE3 ))
( segid " " and resid 255 and name HG2%)
3.200 1.300 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 6.794 ppm2 0.370 CV 1
ASSI { 769}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 260 and name HB3 ))
4.000 2.000 2.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.75244E-03 ppm1 6.727 ppm2 1.932 CV 1
OR { 769}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 260 and name HG ))
OR { 769}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 183 and name HB ))
ASSI { 770}
(( segid " " and resid 194 and name HE3 ))
(( segid " " and resid 210 and name HB2 ))
4.000 2.000 2.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.66889E-03 ppm1 6.726 ppm2 1.381 CV 1
ASSI { 776}
(( segid " " and resid 193 and name HZ3 ))
(( segid " " and resid 193 and name HE3 ))
2.600 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.40547E-02 ppm1 6.710 ppm2 7.200 CV 1
ASSI { 778}
(( segid " " and resid 193 and name HZ3 ))
(( segid " " and resid 205 and name HA ))
2.800 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.22562E-02 ppm1 6.710 ppm2 4.978 CV 1
ASSI { 779}
(( segid " " and resid 193 and name HZ3 ))
(( segid " " and resid 206 and name HD3 ))
2.800 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.24605E-02 ppm1 6.712 ppm2 2.732 CV 1
ASSI { 780}
(( segid " " and resid 193 and name HZ3 ))
(( segid " " and resid 175 and name HG3 ))
3.600 3.600 2.400 peak 780 spectrum 1 weight 0.10000E+01 volume 0.20529E-02 ppm1 6.712 ppm2 2.370 CV 1
ASSI { 781}
(( segid " " and resid 193 and name HZ3 ))
(( segid " " and resid 205 and name HB ))
4.100 2.100 1.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.11815E-02 ppm1 6.712 ppm2 1.709 CV 1
OR { 781}
(( segid " " and resid 193 and name HZ3 ))
(( segid " " and resid 206 and name HB3 ))
ASSI { 790}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 264 and name HH2 ))
2.900 1.100 1.100 peak 790 spectrum 1 weight 0.10000E+01 volume 0.27098E-02 ppm1 6.128 ppm2 7.200 CV 1
ASSI { 791}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 264 and name HE3 ))
2.800 1.000 1.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.30193E-02 ppm1 6.127 ppm2 6.802 CV 1
ASSI { 793}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 190 and name HG2 ))
3.600 1.600 1.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.93976E-03 ppm1 6.128 ppm2 2.473 CV 1
OR { 793}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 258 and name HE2 ))
ASSI { 794}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 258 and name HB3 ))
3.400 1.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.83867E-03 ppm1 6.129 ppm2 1.187 CV 1
ASSI { 795}
(( segid " " and resid 264 and name HZ3 ))
( segid " " and resid 255 and name HG1%)
3.100 1.200 1.200 peak 795 spectrum 1 weight 0.10000E+01 volume 0.34728E-02 ppm1 6.126 ppm2 0.617 CV 1
OR { 795}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 280 and name HG ))
ASSI { 796}
(( segid " " and resid 264 and name HZ3 ))
( segid " " and resid 255 and name HG2%)
3.300 1.300 1.300 peak 796 spectrum 1 weight 0.10000E+01 volume 0.17218E-02 ppm1 6.129 ppm2 0.372 CV 1
ASSI { 799}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 190 and name HG2 ))
3.700 1.700 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.82963E-03 ppm1 6.124 ppm2 2.460 CV 1
OR { 799}
(( segid " " and resid 264 and name HZ3 ))
(( segid " " and resid 258 and name HE2 ))
ASSI { 808}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 263 and name HE3 ))
2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.51155E-02 ppm1 6.518 ppm2 6.998 CV 1
ASSI { 810}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 240 and name HB ))
2.800 2.800 3.200 peak 810 spectrum 1 weight 0.10000E+01 volume 0.18720E-02 ppm1 6.522 ppm2 2.312 CV 1
ASSI { 811}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 276 and name HD3 ))
2.900 1.100 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.21374E-02 ppm1 6.523 ppm2 2.190 CV 1
ASSI { 812}
(( segid " " and resid 263 and name HZ3 ))
( segid " " and resid 239 and name HB% )
4.500 2.500 1.500 peak 812 spectrum 1 weight 0.10000E+01 volume 0.70636E-03 ppm1 6.522 ppm2 1.360 CV 1
ASSI { 813}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 276 and name HD2 ))
3.800 1.800 1.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.13739E-02 ppm1 6.522 ppm2 0.689 CV 1
ASSI { 815}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 244 and name HA ))
4.400 2.400 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 6.515 ppm2 5.444 CV 1
ASSI { 816}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 275 and name HA ))
3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 6.517 ppm2 4.880 CV 1
ASSI { 817}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 274 and name HB3 ))
4.400 2.500 1.600 peak 817 spectrum 1 weight 0.10000E+01 volume 0.72123E-03 ppm1 6.514 ppm2 3.190 CV 1
ASSI { 818}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 274 and name HB2 ))
4.400 2.400 1.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.76975E-03 ppm1 6.514 ppm2 2.724 CV 1
OR { 818}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 263 and name HB2 ))
ASSI { 819}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 244 and name HB3 ))
3.400 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10523E-02 ppm1 6.516 ppm2 2.479 CV 1
OR { 819}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 244 and name HB2 ))
ASSI { 820}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 276 and name HG3 ))
4.100 2.100 1.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.80512E-03 ppm1 6.516 ppm2 0.178 CV 1
ASSI { 821}
(( segid " " and resid 263 and name HZ3 ))
(( segid " " and resid 276 and name HG2 ))
4.400 2.400 1.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.71960E-03 ppm1 6.515 ppm2 -0.371 CV 1
ASSI { 847}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 193 and name HB3 ))
3.100 1.200 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.13154E-02 ppm1 7.180 ppm2 3.367 CV 1
ASSI { 848}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 204 and name HB3 ))
3.000 1.100 1.100 peak 848 spectrum 1 weight 0.10000E+01 volume 0.12919E-02 ppm1 7.181 ppm2 3.093 CV 1
ASSI { 851}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 204 and name HE3 ))
3.600 1.600 1.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.90424E-03 ppm1 7.178 ppm2 7.513 CV 1
ASSI { 853}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 193 and name HZ3 ))
2.800 1.000 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.25205E-02 ppm1 7.179 ppm2 6.713 CV 1
ASSI { 854}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 193 and name HA ))
2.900 1.000 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.25314E-02 ppm1 7.178 ppm2 5.053 CV 1
ASSI { 855}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 206 and name HA ))
3.300 1.300 1.300 peak 855 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 7.178 ppm2 4.000 CV 1
ASSI { 856}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 204 and name HB3 ))
2.900 1.100 1.100 peak 856 spectrum 1 weight 0.10000E+01 volume 0.13468E-02 ppm1 7.177 ppm2 3.075 CV 1
ASSI { 857}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 206 and name HD3 ))
3.600 1.600 1.600 peak 857 spectrum 1 weight 0.10000E+01 volume 0.15570E-02 ppm1 7.178 ppm2 2.730 CV 1
ASSI { 858}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 206 and name HD2 ))
4.300 2.400 1.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.10240E-02 ppm1 7.177 ppm2 2.357 CV 1
ASSI { 859}
(( segid " " and resid 193 and name HE3 ))
( segid " " and resid 278 and name HE% )
3.400 3.400 2.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.70284E-03 ppm1 7.178 ppm2 1.876 CV 1
OR { 859}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 6 and name HB3 ))
OR { 859}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 187 and name HB2 ))
! OR { 859}
! (( segid " " and resid 193 and name HE3 ))
! (( segid " " and resid 12 and name HB3 ))
ASSI { 860}
(( segid " " and resid 193 and name HE3 ))
(( segid " " and resid 8 and name HB3 ))
4.400 2.500 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.89873E-03 ppm1 7.174 ppm2 1.028 CV 1
OR { 860}
(( segid " " and resid 193 and name HE3 ))
( segid " " and resid 205 and name HG2%)
ASSI { 875}
( segid " " and resid 274 and name HE% )
(( segid " " and resid 274 and name HA ))
2.700 2.700 3.300 peak 875 spectrum 1 weight 0.10000E+01 volume 0.19068E-02 ppm1 6.787 ppm2 5.749 CV 1
ASSI { 877}
( segid " " and resid 274 and name HE% )
(( segid " " and resid 265 and name HA ))
3.000 3.000 3.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.11257E-02 ppm1 6.788 ppm2 4.326 CV 1
ASSI { 883}
( segid " " and resid 274 and name HE% )
(( segid " " and resid 265 and name HA ))
3.200 3.200 2.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.12043E-02 ppm1 6.784 ppm2 4.315 CV 1
OR { 883}
( segid " " and resid 167 and name HE% )
(( segid " " and resid 168 and name HA ))
ASSI { 886}
( segid " " and resid 274 and name HE% )
(( segid " " and resid 274 and name HB3 ))
3.500 1.600 1.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.25342E-02 ppm1 6.782 ppm2 3.200 CV 1
ASSI { 887}
( segid " " and resid 167 and name HE% )
(( segid " " and resid 206 and name HD3 ))
2.700 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.56426E-02 ppm1 6.782 ppm2 2.692 CV 1
OR { 887}
( segid " " and resid 167 and name HE% )
(( segid " " and resid 167 and name HB3 ))
ASSI { 888}
( segid " " and resid 274 and name HE% )
( segid " " and resid 259 and name HD1%)
2.300 0.700 0.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.11227E-01 ppm1 6.786 ppm2 1.070 CV 1
ASSI { 889}
( segid " " and resid 274 and name HE% )
( segid " " and resid 265 and name HG1%)
2.300 2.300 3.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10468E-01 ppm1 6.784 ppm2 0.837 CV 1
ASSI { 890}
( segid " " and resid 274 and name HE% )
( segid " " and resid 259 and name HD2%)
3.000 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.29300E-02 ppm1 6.783 ppm2 0.556 CV 1
ASSI { 912}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 263 and name HZ3 ))
2.700 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.40474E-02 ppm1 6.976 ppm2 6.523 CV 1
ASSI { 913}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 274 and name HA ))
3.600 1.700 1.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.15661E-02 ppm1 6.978 ppm2 5.746 CV 1
ASSI { 914}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 244 and name HA ))
3.600 1.600 1.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.14672E-02 ppm1 6.976 ppm2 5.432 CV 1
ASSI { 915}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 275 and name HA ))
2.900 1.100 1.100 peak 915 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 6.976 ppm2 4.887 CV 1
ASSI { 916}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 263 and name HA ))
3.400 1.400 1.400 peak 916 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 6.973 ppm2 4.523 CV 1
ASSI { 917}
( segid " " and resid 237 and name HE% )
(( segid " " and resid 240 and name HA ))
3.900 1.900 1.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.11473E-02 ppm1 6.974 ppm2 4.058 CV 1
OR { 917}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 273 and name HA2 ))
ASSI { 918}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 274 and name HB3 ))
2.600 0.900 0.900 peak 918 spectrum 1 weight 0.10000E+01 volume 0.37954E-02 ppm1 6.978 ppm2 3.207 CV 1
ASSI { 919}
( segid " " and resid 237 and name HE% )
(( segid " " and resid 240 and name HB ))
3.300 3.300 2.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.31240E-02 ppm1 6.978 ppm2 2.321 CV 1
ASSI { 920}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 276 and name HD3 ))
2.900 1.000 1.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.24353E-02 ppm1 6.973 ppm2 2.204 CV 1
ASSI { 922}
(( segid " " and resid 263 and name HE3 ))
( segid " " and resid 266 and name HG2%)
3.700 1.700 1.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.13225E-02 ppm1 6.973 ppm2 0.892 CV 1
OR { 922}
( segid " " and resid 237 and name HE% )
(( segid " " and resid 12 and name HG2 ))
OR { 922}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 12 and name HG2 ))
OR { 922}
(( segid " " and resid 263 and name HE3 ))
( segid " " and resid 245 and name HG2%)
ASSI { 924}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 276 and name HG3 ))
3.900 1.900 1.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.11817E-02 ppm1 6.977 ppm2 0.201 CV 1
OR { 924}
( segid " " and resid 237 and name HE% )
(( segid " " and resid 276 and name HG3 ))
OR { 924}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 276 and name HB2 ))
ASSI { 925}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 274 and name HB3 ))
2.600 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.37933E-02 ppm1 6.973 ppm2 3.195 CV 1
ASSI { 926}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 274 and name HB2 ))
3.200 1.300 1.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.43157E-02 ppm1 6.972 ppm2 2.732 CV 1
OR { 926}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 263 and name HB2 ))
ASSI { 942}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 194 and name HZ3 ))
2.900 1.100 1.100 peak 942 spectrum 1 weight 0.10000E+01 volume 0.34945E-02 ppm1 6.856 ppm2 5.255 CV 1
OR { 942}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 211 and name HA ))
ASSI { 944}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 212 and name HD3 ))
2.800 2.800 3.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.25235E-02 ppm1 6.853 ppm2 4.041 CV 1
ASSI { 945}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 212 and name HD2 ))
4.400 2.400 1.600 peak 945 spectrum 1 weight 0.10000E+01 volume 0.17100E-02 ppm1 6.851 ppm2 3.831 CV 1
ASSI { 946}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 212 and name HA ))
3.000 1.100 1.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 6.855 ppm2 3.636 CV 1
ASSI { 947}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 161 and name HB3 ))
3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.18933E-02 ppm1 6.858 ppm2 2.917 CV 1
ASSI { 948}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 161 and name HB2 ))
3.700 1.700 1.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.21931E-02 ppm1 6.852 ppm2 2.651 CV 1
ASSI { 950}
( segid " " and resid 161 and name HE% )
(( segid " " and resid 159 and name HB2 ))
3.000 3.000 3.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.90558E-02 ppm1 6.855 ppm2 2.114 CV 1
ASSI { 951}
( segid " " and resid 161 and name HE% )
( segid " " and resid 160 and name HG2%)
3.800 3.800 2.200 peak 951 spectrum 1 weight 0.10000E+01 volume 0.15554E-02 ppm1 6.852 ppm2 1.243 CV 1
ASSI { 952}
( segid " " and resid 161 and name HE% )
( segid " " and resid 185 and name HG2%)
2.700 0.900 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.54926E-02 ppm1 6.854 ppm2 0.866 CV 1
ASSI { 964}
( segid " " and resid 167 and name HE% )
(( segid " " and resid 14 and name HG2 ))
3.300 3.300 2.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.38371E-02 ppm1 6.778 ppm2 1.793 CV 1
ASSI { 970}
( segid " " and resid 279 and name HE% )
( segid " " and resid 278 and name HE% )
2.400 2.400 3.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.39145E-02 ppm1 6.767 ppm2 1.903 CV 1
OR { 970}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 12 and name HB3 ))
OR { 970}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 12 and name HB2 ))
ASSI { 973}
( segid " " and resid 279 and name HE% )
( segid " " and resid 279 and name HD% )
2.000 0.500 0.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.20080E-01 ppm1 6.761 ppm2 6.533 CV 1
ASSI { 974}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 11 and name HA ))
3.700 1.700 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 6.763 ppm2 5.185 CV 1
ASSI { 975}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 279 and name HA ))
3.400 1.400 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.55570E-02 ppm1 6.762 ppm2 4.968 CV 1
! ASSI { 978}
! ( segid " " and resid 279 and name HE% )
! (( segid " " and resid 10 and name HA ))
! 2.900 2.900 3.100 peak 978 spectrum 1 weight 0.10000E+01 volume 0.12652E-02 ppm1 6.760 ppm2 4.159 CV 1
ASSI { 979}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 12 and name HD3 ))
2.900 1.100 1.100 peak 979 spectrum 1 weight 0.10000E+01 volume 0.24068E-02 ppm1 6.762 ppm2 3.837 CV 1
ASSI { 981}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 237 and name HB2 ))
2.600 2.600 3.400 peak 981 spectrum 1 weight 0.10000E+01 volume 0.49786E-02 ppm1 6.762 ppm2 3.001 CV 1
ASSI { 983}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 12 and name HG3 ))
2.900 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.30632E-02 ppm1 6.761 ppm2 1.542 CV 1
ASSI { 985}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 235 and name HD2 ))
2.400 2.400 3.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.45329E-02 ppm1 6.765 ppm2 1.207 CV 1
ASSI { 986}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 12 and name HG2 ))
2.700 2.700 3.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.57881E-02 ppm1 6.765 ppm2 0.914 CV 1
ASSI { 988}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 276 and name HB3 ))
3.000 3.000 3.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 6.760 ppm2 0.365 CV 1
ASSI { 989}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 276 and name HB2 ))
3.100 3.100 2.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.21153E-02 ppm1 6.761 ppm2 0.209 CV 1
ASSI { 990}
( segid " " and resid 279 and name HE% )
(( segid " " and resid 276 and name HG2 ))
3.200 3.200 2.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 6.764 ppm2 -0.375 CV 1
ASSI { 995}
( segid " " and resid 226 and name HE% )
(( segid " " and resid 226 and name HA ))
3.500 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.37694E-02 ppm1 6.720 ppm2 4.102 CV 1
ASSI { 997}
( segid " " and resid 226 and name HE% )
(( segid " " and resid 267 and name HD3 ))
3.500 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 6.719 ppm2 3.294 CV 1
ASSI { 998}
( segid " " and resid 226 and name HE% )
(( segid " " and resid 226 and name HB3 ))
2.700 2.700 3.300 peak 998 spectrum 1 weight 0.10000E+01 volume 0.24219E-02 ppm1 6.720 ppm2 3.183 CV 1
ASSI { 999}
( segid " " and resid 226 and name HE% )
(( segid " " and resid 226 and name HB2 ))
3.600 1.600 1.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.28522E-02 ppm1 6.720 ppm2 2.773 CV 1
ASSI { 1007}
( segid " " and resid 226 and name HE% )
( segid " " and resid 256 and name HD1%)
3.100 3.100 2.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.28872E-02 ppm1 6.721 ppm2 0.649 CV 1
ASSI { 1008}
( segid " " and resid 226 and name HE% )
( segid " " and resid 256 and name HG2%)
3.000 1.100 1.100 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.36502E-02 ppm1 6.718 ppm2 0.527 CV 1
ASSI { 1020}
( segid " " and resid 237 and name HE% )
(( segid " " and resid 237 and name HA ))
3.900 1.900 1.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.14788E-02 ppm1 6.980 ppm2 4.684 CV 1
ASSI { 1021}
( segid " " and resid 237 and name HE% )
(( segid " " and resid 239 and name HA ))
2.400 0.700 0.700 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.77968E-02 ppm1 6.977 ppm2 4.197 CV 1
ASSI { 1022}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 244 and name HB3 ))
2.900 1.000 1.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.48782E-02 ppm1 6.977 ppm2 2.479 CV 1
OR { 1022}
(( segid " " and resid 263 and name HE3 ))
(( segid " " and resid 244 and name HB2 ))
OR { 1022}
( segid " " and resid 237 and name HE% )
(( segid " " and resid 244 and name HB2 ))
ASSI { 1023}
( segid " " and resid 237 and name HE% )
( segid " " and resid 239 and name HB% )
3.400 1.400 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.38261E-02 ppm1 6.975 ppm2 1.353 CV 1
ASSI { 1024}
( segid " " and resid 237 and name HE% )
( segid " " and resid 240 and name HG2%)
3.300 1.300 1.300 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.17969E-02 ppm1 6.976 ppm2 1.083 CV 1
ASSI { 1045}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 264 and name HZ3 ))
3.200 1.300 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 6.870 ppm2 6.133 CV 1
ASSI { 1047}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 230 and name HA ))
3.800 1.800 1.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 6.870 ppm2 5.015 CV 1
OR { 1047}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 254 and name HA ))
ASSI { 1051}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 230 and name HB3 ))
3.000 3.000 3.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.51748E-02 ppm1 6.871 ppm2 2.272 CV 1
OR { 1051}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 230 and name HG3 ))
OR { 1051}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 254 and name HG3 ))
ASSI { 1053}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 280 and name HB3 ))
3.300 1.300 1.300 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.33663E-02 ppm1 6.872 ppm2 1.829 CV 1
OR { 1053}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 255 and name HB ))
ASSI { 1054}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 282 and name HB3 ))
3.700 1.700 1.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 6.870 ppm2 1.542 CV 1
OR { 1054}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 282 and name HD2 ))
OR { 1054}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 282 and name HD3 ))
ASSI { 1055}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 282 and name HG3 ))
3.000 1.100 1.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.25877E-02 ppm1 6.871 ppm2 1.145 CV 1
OR { 1055}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 282 and name HG2 ))
ASSI { 1056}
( segid " " and resid 231 and name HE% )
( segid " " and resid 255 and name HG1%)
3.200 1.300 1.300 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.33328E-02 ppm1 6.870 ppm2 0.615 CV 1
OR { 1056}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 280 and name HG ))
ASSI { 1057}
( segid " " and resid 231 and name HE% )
( segid " " and resid 280 and name HD1%)
3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 6.871 ppm2 0.504 CV 1
OR { 1057}
( segid " " and resid 231 and name HE% )
( segid " " and resid 280 and name HD2%)
ASSI { 1059}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 258 and name HE3 ))
3.100 3.100 2.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.26118E-02 ppm1 6.867 ppm2 2.458 CV 1
OR { 1059}
( segid " " and resid 231 and name HE% )
(( segid " " and resid 258 and name HE2 ))
ASSI { 1076}
(( segid " " and resid 193 and name HZ2 ))
(( segid " " and resid 13 and name HA ))
2.800 1.000 1.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.30665E-02 ppm1 7.173 ppm2 3.954 CV 1
ASSI { 1077}
(( segid " " and resid 193 and name HZ2 ))
(( segid " " and resid 14 and name HD2 ))
3.900 1.900 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.13695E-02 ppm1 7.175 ppm2 2.781 CV 1
ASSI { 1078}
(( segid " " and resid 193 and name HZ2 ))
(( segid " " and resid 13 and name HB3 ))
3.700 1.700 1.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.77440E-03 ppm1 7.178 ppm2 1.366 CV 1
ASSI { 1079}
(( segid " " and resid 193 and name HZ2 ))
(( segid " " and resid 9 and name HB2 ))
3.300 1.300 1.300 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 7.171 ppm2 0.701 CV 1
ASSI { 1080}
(( segid " " and resid 193 and name HZ2 ))
(( segid " " and resid 13 and name HB2 ))
4.700 2.800 1.300 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.71651E-03 ppm1 7.172 ppm2 -0.098 CV 1
ASSI { 1092}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 7 and name HA ))
3.300 1.400 1.400 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.12819E-02 ppm1 7.026 ppm2 4.581 CV 1
ASSI { 1094}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 8 and name HB3 ))
3.700 1.800 1.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.70710E-03 ppm1 7.027 ppm2 1.006 CV 1
ASSI { 1095}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 204 and name HH2 ))
2.300 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.10280E-01 ppm1 7.022 ppm2 7.147 CV 1
ASSI { 1098}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 6 and name HA ))
4.100 2.100 1.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.78925E-03 ppm1 7.022 ppm2 4.382 CV 1
ASSI { 1100}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 8 and name HD3 ))
3.200 1.300 1.300 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.15768E-02 ppm1 7.023 ppm2 3.383 CV 1
OR { 1100}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 193 and name HB3 ))
ASSI { 1101}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 8 and name HA ))
3.400 1.500 1.500 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 7.021 ppm2 2.326 CV 1
OR { 1101}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 195 and name HB3 ))
ASSI { 1102}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 6 and name HB3 ))
2.800 1.000 1.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.24597E-02 ppm1 7.022 ppm2 1.871 CV 1
ASSI { 1103}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 6 and name HG2 ))
3.400 1.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 7.023 ppm2 1.349 CV 1
OR { 1103}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 6 and name HG3 ))
OR { 1103}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 1104}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 8 and name HB3 ))
3.800 3.800 2.200 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.73611E-03 ppm1 7.019 ppm2 1.029 CV 1
ASSI { 1105}
(( segid " " and resid 204 and name HZ2 ))
(( segid " " and resid 195 and name HB2 ))
3.600 1.700 1.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.64879E-03 ppm1 7.018 ppm2 0.551 CV 1
ASSI { 1112}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 258 and name HD2 ))
3.700 1.700 1.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.17464E-02 ppm1 6.413 ppm2 1.175 CV 1
OR { 1112}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 258 and name HD3 ))
OR { 1112}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 259 and name HG ))
ASSI { 1113}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 258 and name HB2 ))
4.200 2.200 1.800 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.68848E-03 ppm1 6.413 ppm2 0.894 CV 1
ASSI { 1126}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 257 and name HB3 ))
3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.10536E-02 ppm1 6.417 ppm2 3.191 CV 1
ASSI { 1128}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 259 and name HB3 ))
3.900 1.900 1.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.75707E-03 ppm1 6.415 ppm2 2.067 CV 1
ASSI { 1129}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 258 and name HD2 ))
3.700 1.800 1.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.16443E-02 ppm1 6.416 ppm2 1.188 CV 1
OR { 1129}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 258 and name HD3 ))
OR { 1129}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 259 and name HG ))
ASSI { 1134}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 257 and name HA ))
2.500 0.800 0.800 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.69568E-02 ppm1 6.413 ppm2 4.983 CV 1
ASSI { 1135}
(( segid " " and resid 257 and name HD2 ))
(( segid " " and resid 224 and name HA ))
2.800 1.000 1.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.34971E-02 ppm1 6.413 ppm2 4.098 CV 1
ASSI { 1137}
(( segid " " and resid 257 and name HD2 ))
( segid " " and resid 265 and name HG1%)
4.000 2.000 2.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.98421E-03 ppm1 6.414 ppm2 0.834 CV 1
ASSI { 1138}
(( segid " " and resid 257 and name HD2 ))
( segid " " and resid 259 and name HD2%)
3.600 1.600 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 6.412 ppm2 0.553 CV 1
ASSI { 1143}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 264 and name HZ3 ))
4.000 2.000 2.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.13807E-02 ppm1 7.386 ppm2 6.127 CV 1
ASSI { 1144}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 190 and name HB3 ))
3.300 1.300 1.300 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.23863E-02 ppm1 7.387 ppm2 2.270 CV 1
ASSI { 1146}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 264 and name HH2 ))
2.500 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.83139E-02 ppm1 7.384 ppm2 7.215 CV 1
ASSI { 1148}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 190 and name HA ))
4.400 2.400 1.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.65342E-03 ppm1 7.381 ppm2 4.330 CV 1
ASSI { 1149}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 190 and name HG2 ))
2.800 1.000 1.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.30684E-02 ppm1 7.381 ppm2 2.512 CV 1
ASSI { 1151}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 277 and name HB3 ))
3.600 1.600 1.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 7.379 ppm2 1.533 CV 1
ASSI { 1152}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 258 and name HB3 ))
2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.33459E-02 ppm1 7.385 ppm2 1.167 CV 1
OR { 1152}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 277 and name HB2 ))
ASSI { 1153}
(( segid " " and resid 264 and name HZ2 ))
(( segid " " and resid 258 and name HB2 ))
3.700 1.800 1.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.12515E-02 ppm1 7.384 ppm2 0.866 CV 1
ASSI { 1158}
(( segid " " and resid 194 and name HZ2 ))
(( segid " " and resid 260 and name HA ))
4.900 3.000 1.100 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.75269E-03 ppm1 7.269 ppm2 4.223 CV 1
ASSI { 1160}
(( segid " " and resid 263 and name HZ2 ))
(( segid " " and resid 263 and name HZ3 ))
4.000 2.000 2.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.14817E-02 ppm1 7.181 ppm2 6.532 CV 1
ASSI { 1161}
(( segid " " and resid 263 and name HZ2 ))
(( segid " " and resid 276 and name HG3 ))
3.300 1.400 1.400 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.12508E-02 ppm1 7.181 ppm2 0.199 CV 1
ASSI { 1162}
(( segid " " and resid 263 and name HZ2 ))
(( segid " " and resid 276 and name HG2 ))
4.100 2.100 1.900 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.66543E-03 ppm1 7.185 ppm2 -0.381 CV 1
ASSI { 1164}
(( segid " " and resid 263 and name HZ2 ))
(( segid " " and resid 263 and name HH2 ))
2.500 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.83242E-02 ppm1 7.178 ppm2 7.057 CV 1
ASSI { 1168}
(( segid " " and resid 263 and name HZ2 ))
(( segid " " and resid 12 and name HG3 ))
3.200 3.200 2.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.36648E-02 ppm1 7.177 ppm2 1.538 CV 1
ASSI { 1175}
(( segid " " and resid 194 and name HZ2 ))
(( segid " " and resid 194 and name HZ3 ))
4.100 2.100 1.900 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.12862E-02 ppm1 7.269 ppm2 5.253 CV 1
ASSI { 1176}
(( segid " " and resid 194 and name HZ2 ))
(( segid " " and resid 260 and name HA ))
5.000 3.100 1.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.66581E-03 ppm1 7.267 ppm2 4.249 CV 1
ASSI { 1177}
(( segid " " and resid 194 and name HZ2 ))
(( segid " " and resid 188 and name HE3 ))
3.100 3.100 2.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.95045E-03 ppm1 7.272 ppm2 2.197 CV 1
ASSI { 1178}
(( segid " " and resid 194 and name HZ2 ))
(( segid " " and resid 260 and name HG ))
2.900 1.100 1.100 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.23210E-02 ppm1 7.270 ppm2 1.948 CV 1
ASSI { 1179}
(( segid " " and resid 194 and name HZ2 ))
(( segid " " and resid 260 and name HB2 ))
3.600 1.600 1.600 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.21179E-02 ppm1 7.269 ppm2 1.738 CV 1
ASSI { 1182}
(( segid " " and resid 194 and name HZ2 ))
( segid " " and resid 207 and name HB% )
3.400 1.400 1.400 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.17265E-02 ppm1 7.270 ppm2 -0.351 CV 1
!
!
! run811 aliphatic restraints
!
assign ( resid 16 and name HA ) ( resid 208 and name HB% ) 2.00 1.00 3.00
assign ( resid 206 and name HA ) ( resid 13 and name HB% ) 2.00 1.00 3.00
assign ( resid 8 and name HA ) ( resid 193 and name HB% ) 2.00 1.00 3.00
assign ( resid 11 and name HA ) ( resid 278 and name HE% ) 2.00 1.00 3.00
assign ( resid 9 and name HB% ) ( resid 193 and name HE3 ) 2.00 1.00 3.00
assign ( resid 276 and name HB% ) ( resid 12 and name HG% ) 2.00 1.00 3.00
assign ( resid 278 and name HG% ) ( resid 12 and name HD% ) 2.00 1.00 3.00
assign ( resid 206 and name HG% ) ( resid 14 and name HD% ) 2.00 1.00 3.00
assign ( resid 206 and name HG% ) ( resid 14 and name HG% ) 2.00 1.00 3.00
assign ( resid 14 and name HG% ) ( resid 206 and name HB% ) 2.00 1.00 3.00
assign ( resid 14 and name HG% ) ( resid 209 and name HZ ) 2.00 1.00 3.00
assign ( resid 12 and name HG% ) ( resid 276 and name HG% ) 2.00 1.00 3.00
assign ( resid 165 and name HB% ) ( resid 17 and name HA ) 2.00 1.00 3.00
assign ( resid 278 and name HE% ) ( resid 12 and name HA ) 2.00 1.00 3.00
assign ( resid 278 and name HE% ) ( resid 10 and name HA ) 2.00 1.00 3.00
assign ( resid 278 and name HE% ) ( resid 12 and name HD% ) 2.00 1.00 3.00
assign ( resid 278 and name HE% ) ( resid 13 and name HD% ) 2.00 1.00 3.00
assign ( resid 278 and name HE% ) ( resid 8 and name HB% ) 2.00 1.00 4.00
assign ( resid 278 and name HE% ) ( resid 9 and name HB% ) 2.00 1.00 4.00
assign ( resid 164 and name HD1% ) ( resid 17 and name HA ) 2.00 1.00 4.00
assign ( resid 164 and name HD1% ) ( resid 17 and name HD% ) 2.00 1.00 4.00
!
assign ( resid 16 and name HA ) ( resid 209 and name HA ) 2.00 1.00 3.00
assign ( resid 16 and name HB% ) ( resid 208 and name HB% ) 2.00 1.00 1.00
assign ( resid 17 and name HB% ) ( resid 165 and name HB% ) 2.00 1.00 1.00
ASSI { 238}
(( segid " " and resid 272 and name HB ))
(( segid " " and resid 265 and name HB ))
4.300 2.300 1.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.63621E-03 ppm1 3.913 ppm2 1.838 CV 1
OR { 238}
(( segid " " and resid 272 and name HB ))
(( segid " " and resid 267 and name HB3 ))
ASSI { 828}
(( segid " " and resid 230 and name HA ))
(( segid " " and resid 230 and name HB2 ))
2.900 1.000 1.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.41269E-02 ppm1 5.001 ppm2 2.065 CV 1
OR { 828}
(( segid " " and resid 230 and name HA ))
(( segid " " and resid 230 and name HG2 ))
OR { 828}
(( segid " " and resid 230 and name HA ))
(( segid " " and resid 254 and name HG2 ))
ASSI { 1214}
(( segid " " and resid 271 and name HA ))
( segid " " and resid 271 and name HG1%)
2.500 0.800 0.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.85985E-02 ppm1 4.367 ppm2 1.039 CV 1
OR { 1214}
(( segid " " and resid 271 and name HA ))
( segid " " and resid 272 and name HG2%)
ASSI { 1314}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 208 and name HB2 ))
3.300 1.400 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.80088E-03 ppm1 4.267 ppm2 3.760 CV 1
OR { 1314}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HA ))
ASSI { 1326}
(( segid " " and resid 206 and name HA ))
(( segid " " and resid 206 and name HB2 ))
3.100 1.200 1.200 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 3.993 ppm2 1.381 CV 1
OR { 1326}
(( segid " " and resid 206 and name HA ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 1492}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD3 ))
3.900 1.900 1.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.52324E-03 ppm1 2.316 ppm2 3.358 CV 1
OR { 1492}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD2 ))
OR { 1492}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 193 and name HB3 ))
ASSI { 1520}
(( segid " " and resid 160 and name HA ))
(( segid " " and resid 184 and name HB2 ))
4.100 2.100 1.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.75420E-03 ppm1 5.633 ppm2 1.854 CV 1
OR { 1520}
(( segid " " and resid 160 and name HA ))
(( segid " " and resid 185 and name HB ))
ASSI { 1522}
(( segid " " and resid 160 and name HA ))
( segid " " and resid 183 and name HG2%)
3.400 1.400 1.400 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.17138E-02 ppm1 5.628 ppm2 0.853 CV 1
OR { 1522}
(( segid " " and resid 160 and name HA ))
( segid " " and resid 185 and name HG2%)
OR { 1522}
(( segid " " and resid 160 and name HA ))
( segid " " and resid 213 and name HD2%)
ASSI { 1666}
(( segid " " and resid 274 and name HA ))
( segid " " and resid 245 and name HG1%)
3.100 1.200 1.200 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.91706E-03 ppm1 5.750 ppm2 0.770 CV 1
OR { 1666}
(( segid " " and resid 274 and name HA ))
( segid " " and resid 265 and name HG2%)
ASSI { 1673}
(( segid " " and resid 232 and name HA ))
( segid " " and resid 252 and name HB% )
3.400 1.500 1.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.27641E-02 ppm1 5.156 ppm2 1.468 CV 1
OR { 1673}
(( segid " " and resid 232 and name HA ))
( segid " " and resid 233 and name HB% )
ASSI { 1675}
(( segid " " and resid 232 and name HA ))
( segid " " and resid 253 and name HG2%)
3.500 1.500 1.500 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.92452E-03 ppm1 5.153 ppm2 0.503 CV 1
OR { 1675}
(( segid " " and resid 232 and name HA ))
( segid " " and resid 280 and name HD2%)
ASSI { 1822}
(( segid " " and resid 249 and name HA ))
(( segid " " and resid 236 and name HA ))
3.100 1.200 1.200 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.14606E-02 ppm1 3.287 ppm2 4.437 CV 1
OR { 1822}
(( segid " " and resid 249 and name HA ))
(( segid " " and resid 234 and name HA ))
ASSI { 1873}
(( segid " " and resid 183 and name HA ))
(( segid " " and resid 198 and name HG2 ))
3.000 1.100 1.100 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 4.991 ppm2 2.501 CV 1
OR { 1873}
(( segid " " and resid 183 and name HA ))
(( segid " " and resid 196 and name HB2 ))
ASSI { 1874}
(( segid " " and resid 183 and name HA ))
( segid " " and resid 198 and name HE% )
4.000 2.000 2.000 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.54124E-03 ppm1 4.987 ppm2 2.164 CV 1
OR { 1874}
(( segid " " and resid 205 and name HA ))
(( segid " " and resid 175 and name HG2 ))
ASSI { 1898}
(( segid " " and resid 167 and name HA ))
(( segid " " and resid 177 and name HB2 ))
4.500 2.500 1.500 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.57362E-03 ppm1 4.749 ppm2 1.631 CV 1
OR { 1898}
(( segid " " and resid 167 and name HA ))
(( segid " " and resid 168 and name HB2 ))
ASSI { 1899}
(( segid " " and resid 167 and name HA ))
( segid " " and resid 177 and name HD1%)
4.400 2.400 1.600 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.53328E-03 ppm1 4.749 ppm2 0.994 CV 1
OR { 1899}
(( segid " " and resid 167 and name HA ))
( segid " " and resid 205 and name HG2%)
ASSI { 1945}
(( segid " " and resid 195 and name HA ))
(( segid " " and resid 204 and name HA ))
2.800 1.000 1.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.21259E-02 ppm1 4.086 ppm2 5.319 CV 1
OR { 1945}
(( segid " " and resid 195 and name HA ))
(( segid " " and resid 196 and name HA ))
ASSI { 1999}
(( segid " " and resid 246 and name HA ))
( segid " " and resid 239 and name HB% )
3.900 1.900 1.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.67190E-03 ppm1 5.519 ppm2 1.349 CV 1
OR { 1999}
(( segid " " and resid 246 and name HA ))
(( segid " " and resid 247 and name HB2 ))
ASSI { 2001}
(( segid " " and resid 246 and name HA ))
( segid " " and resid 245 and name HG2%)
4.100 2.100 1.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.51696E-03 ppm1 5.517 ppm2 0.866 CV 1
OR { 2001}
(( segid " " and resid 246 and name HA ))
( segid " " and resid 248 and name HD2%)
ASSI { 2051}
(( segid " " and resid 204 and name HA ))
(( segid " " and resid 193 and name HE3 ))
4.200 2.200 1.800 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.52926E-03 ppm1 5.326 ppm2 7.174 CV 1
OR { 2051}
(( segid " " and resid 204 and name HA ))
(( segid " " and resid 204 and name HZ3 ))
ASSI { 2060}
(( segid " " and resid 204 and name HA ))
(( segid " " and resid 204 and name HB2 ))
2.800 1.000 1.000 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 5.323 ppm2 2.625 CV 1
OR { 2060}
(( segid " " and resid 196 and name HA ))
(( segid " " and resid 196 and name HB3 ))
ASSI { 2062}
(( segid " " and resid 204 and name HA ))
(( segid " " and resid 175 and name HG2 ))
3.700 1.700 1.700 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.57837E-03 ppm1 5.317 ppm2 2.170 CV 1
OR { 2062}
(( segid " " and resid 196 and name HA ))
( segid " " and resid 198 and name HE% )
ASSI { 2063}
(( segid " " and resid 196 and name HA ))
(( segid " " and resid 186 and name HB ))
3.700 1.700 1.700 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.15404E-02 ppm1 5.323 ppm2 1.929 CV 1
OR { 2063}
(( segid " " and resid 196 and name HA ))
(( segid " " and resid 183 and name HB ))
ASSI { 2064}
(( segid " " and resid 196 and name HA ))
(( segid " " and resid 202 and name HB3 ))
3.600 1.600 1.600 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.87966E-03 ppm1 5.323 ppm2 1.676 CV 1
OR { 2064}
(( segid " " and resid 196 and name HA ))
( segid " " and resid 175 and name HE% )
OR { 2064}
(( segid " " and resid 204 and name HA ))
( segid " " and resid 175 and name HE% )
ASSI { 2152}
(( segid " " and resid 161 and name HA ))
(( segid " " and resid 159 and name HB2 ))
3.700 3.700 2.300 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.67714E-03 ppm1 5.004 ppm2 2.095 CV 1
OR { 2152}
(( segid " " and resid 161 and name HA ))
(( segid " " and resid 211 and name HB3 ))
ASSI { 2274}
(( segid " " and resid 187 and name HA ))
( segid " " and resid 186 and name HG2%)
3.400 1.500 1.500 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.17021E-02 ppm1 4.488 ppm2 0.942 CV 1
OR { 2274}
(( segid " " and resid 181 and name HA ))
( segid " " and resid 182 and name HG2%)
ASSI { 2493}
(( segid " " and resid 235 and name HA ))
(( segid " " and resid 236 and name HA ))
3.600 1.600 1.600 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.99715E-03 ppm1 4.167 ppm2 4.452 CV 1
OR { 2493}
(( segid " " and resid 235 and name HA ))
(( segid " " and resid 234 and name HA ))
ASSI { 2552}
(( segid " " and resid 267 and name HA ))
(( segid " " and resid 253 and name HB ))
4.000 2.000 2.000 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.49769E-03 ppm1 5.364 ppm2 2.070 CV 1
OR { 2552}
(( segid " " and resid 267 and name HA ))
(( segid " " and resid 254 and name HB3 ))
ASSI { 2663}
(( segid " " and resid 267 and name HA ))
( segid " " and resid 272 and name HG2%)
3.200 1.300 1.300 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.20920E-02 ppm1 5.366 ppm2 1.047 CV 1
OR { 2663}
(( segid " " and resid 267 and name HA ))
( segid " " and resid 271 and name HG1%)
ASSI { 2684}
(( segid " " and resid 184 and name HA ))
(( segid " " and resid 160 and name HB ))
3.000 3.000 3.000 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.99231E-03 ppm1 5.109 ppm2 4.002 CV 1
OR { 2684}
(( segid " " and resid 184 and name HA ))
(( segid " " and resid 186 and name HA ))
ASSI { 2696}
(( segid " " and resid 254 and name HA ))
( segid " " and resid 255 and name HG1%)
4.000 2.000 2.000 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 5.016 ppm2 0.585 CV 1
OR { 2696}
(( segid " " and resid 254 and name HA ))
( segid " " and resid 266 and name HD1%)
ASSI { 2825}
(( segid " " and resid 210 and name HA ))
(( segid " " and resid 210 and name HB3 ))
3.100 1.200 1.200 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.12019E-02 ppm1 5.421 ppm2 1.675 CV 1
OR { 2825}
(( segid " " and resid 210 and name HA ))
( segid " " and resid 163 and name HB% )
ASSI { 2826}
(( segid " " and resid 210 and name HA ))
( segid " " and resid 177 and name HD2%)
3.600 1.600 1.600 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.80716E-03 ppm1 5.423 ppm2 0.917 CV 1
OR { 2826}
(( segid " " and resid 210 and name HA ))
( segid " " and resid 205 and name HD1%)
ASSI { 2938}
(( segid " " and resid 279 and name HA ))
( segid " " and resid 234 and name HD1%)
2.700 0.900 0.900 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.28169E-02 ppm1 4.973 ppm2 0.909 CV 1
OR { 2938}
(( segid " " and resid 279 and name HA ))
(( segid " " and resid 235 and name HB2 ))
ASSI { 3031}
(( segid " " and resid 248 and name HA ))
(( segid " " and resid 248 and name HB3 ))
2.300 0.700 0.700 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.76678E-02 ppm1 4.470 ppm2 1.514 CV 1
OR { 3031}
(( segid " " and resid 248 and name HA ))
(( segid " " and resid 248 and name HB2 ))
OR { 3031}
(( segid " " and resid 248 and name HA ))
( segid " " and resid 236 and name HB% )
ASSI { 3070}
(( segid " " and resid 233 and name HA ))
(( segid " " and resid 232 and name HB ))
3.800 1.800 1.800 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.72336E-03 ppm1 5.162 ppm2 1.801 CV 1
OR { 3070}
(( segid " " and resid 233 and name HA ))
(( segid " " and resid 280 and name HB3 ))
ASSI { 3074}
(( segid " " and resid 233 and name HA ))
( segid " " and resid 234 and name HG2%)
3.700 1.700 1.700 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.92153E-03 ppm1 5.159 ppm2 0.883 CV 1
OR { 3074}
(( segid " " and resid 233 and name HA ))
(( segid " " and resid 235 and name HB2 ))
ASSI { 3143}
(( segid " " and resid 176 and name HA ))
( segid " " and resid 175 and name HE% )
3.700 1.700 1.700 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 4.609 ppm2 1.670 CV 1
OR { 3143}
(( segid " " and resid 176 and name HA ))
( segid " " and resid 163 and name HB% )
ASSI { 3145}
(( segid " " and resid 176 and name HA ))
( segid " " and resid 205 and name HG2%)
4.000 2.000 2.000 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.56630E-03 ppm1 4.609 ppm2 1.002 CV 1
OR { 3145}
(( segid " " and resid 176 and name HA ))
( segid " " and resid 177 and name HD1%)
ASSI { 3228}
(( segid " " and resid 230 and name HD3 ))
(( segid " " and resid 230 and name HA ))
2.900 1.100 1.100 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.25725E-02 ppm1 3.910 ppm2 5.007 CV 1
OR { 3228}
(( segid " " and resid 230 and name HD3 ))
(( segid " " and resid 254 and name HA ))
ASSI { 3231}
(( segid " " and resid 230 and name HD2 ))
(( segid " " and resid 230 and name HA ))
3.000 1.100 1.100 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.29104E-02 ppm1 3.833 ppm2 5.011 CV 1
OR { 3231}
(( segid " " and resid 230 and name HD2 ))
(( segid " " and resid 254 and name HA ))
ASSI { 3271}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 278 and name HE% )
4.500 2.500 1.500 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.46694E-03 ppm1 5.191 ppm2 1.902 CV 1
OR { 3271}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HB3 ))
OR { 3271}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 3451}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HB3 ))
3.400 1.400 1.400 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.18776E-02 ppm1 3.393 ppm2 1.761 CV 1
OR { 3451}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 3487}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HB3 ))
2.900 1.000 1.000 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.18094E-02 ppm1 3.123 ppm2 1.756 CV 1
OR { 3487}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 3636}
(( segid " " and resid 276 and name HD2 ))
( segid " " and resid 279 and name HD% )
4.000 2.000 2.000 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.51881E-03 ppm1 0.675 ppm2 6.524 CV 1
OR { 3636}
(( segid " " and resid 276 and name HD2 ))
(( segid " " and resid 263 and name HZ3 ))
ASSI { 5647}
(( segid " " and resid 190 and name HG2 ))
(( segid " " and resid 277 and name HB2 ))
3.800 1.800 1.800 peak 5647 spectrum 1 weight 0.10000E+01 volume 0.73521E-03 ppm1 2.490 ppm2 1.142 CV 1
OR { 5647}
(( segid " " and resid 190 and name HG2 ))
( segid " " and resid 260 and name HD2%)
OR { 5647}
(( segid " " and resid 190 and name HG2 ))
(( segid " " and resid 258 and name HB3 ))
ASSI { 5649}
(( segid " " and resid 190 and name HG2 ))
(( segid " " and resid 277 and name HB2 ))
3.800 1.800 1.800 peak 5649 spectrum 1 weight 0.10000E+01 volume 0.63517E-03 ppm1 2.483 ppm2 1.159 CV 1
OR { 5649}
(( segid " " and resid 190 and name HG2 ))
(( segid " " and resid 258 and name HB3 ))
ASSI { 5821}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 20 and name HA ))
3.900 1.900 1.900 peak 5821 spectrum 1 weight 0.10000E+01 volume 0.70690E-03 ppm1 2.366 ppm2 4.276 CV 1
OR { 5821}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 17 and name HA ))
ASSI { 5851}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 20 and name HA ))
3.400 1.400 1.400 peak 5851 spectrum 1 weight 0.10000E+01 volume 0.13590E-02 ppm1 2.248 ppm2 4.282 CV 1
OR { 5851}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 17 and name HA ))
ASSI { 5863}
(( segid " " and resid 253 and name HB ))
(( segid " " and resid 254 and name HA ))
3.000 1.100 1.100 peak 5863 spectrum 1 weight 0.10000E+01 volume 0.31888E-02 ppm1 2.071 ppm2 5.013 CV 1
OR { 5863}
(( segid " " and resid 253 and name HB ))
(( segid " " and resid 252 and name HA ))
ASSI { 5976}
(( segid " " and resid 232 and name HB ))
( segid " " and resid 252 and name HB% )
3.400 1.500 1.500 peak 5976 spectrum 1 weight 0.10000E+01 volume 0.27103E-02 ppm1 1.783 ppm2 1.465 CV 1
OR { 5976}
(( segid " " and resid 232 and name HB ))
( segid " " and resid 233 and name HB% )
ASSI { 5978}
(( segid " " and resid 232 and name HB ))
( segid " " and resid 253 and name HG2%)
4.000 2.000 2.000 peak 5978 spectrum 1 weight 0.10000E+01 volume 0.67271E-03 ppm1 1.783 ppm2 0.509 CV 1
OR { 5978}
(( segid " " and resid 232 and name HB ))
( segid " " and resid 280 and name HD2%)
ASSI { 5993}
(( segid " " and resid 235 and name HB3 ))
(( segid " " and resid 236 and name HA ))
3.900 1.900 1.900 peak 5993 spectrum 1 weight 0.10000E+01 volume 0.51528E-03 ppm1 1.045 ppm2 4.438 CV 1
OR { 5993}
(( segid " " and resid 235 and name HB3 ))
(( segid " " and resid 234 and name HA ))
ASSI { 6046}
(( segid " " and resid 257 and name HB3 ))
(( segid " " and resid 259 and name HG ))
3.900 1.900 1.900 peak 6046 spectrum 1 weight 0.10000E+01 volume 0.48444E-03 ppm1 3.203 ppm2 1.171 CV 1
OR { 6046}
(( segid " " and resid 257 and name HB3 ))
(( segid " " and resid 258 and name HD2 ))
OR { 6046}
(( segid " " and resid 257 and name HB3 ))
(( segid " " and resid 258 and name HD3 ))
ASSI { 6067}
(( segid " " and resid 257 and name HB2 ))
( segid " " and resid 259 and name HD1%)
4.400 2.400 1.600 peak 6067 spectrum 1 weight 0.10000E+01 volume 0.66168E-03 ppm1 2.475 ppm2 1.081 CV 1
OR { 6067}
(( segid " " and resid 257 and name HB2 ))
(( segid " " and resid 256 and name HG12))
ASSI { 6069}
(( segid " " and resid 257 and name HB2 ))
( segid " " and resid 256 and name HG2%)
3.500 1.500 1.500 peak 6069 spectrum 1 weight 0.10000E+01 volume 0.69048E-03 ppm1 2.481 ppm2 0.528 CV 1
OR { 6069}
(( segid " " and resid 257 and name HB2 ))
( segid " " and resid 259 and name HD2%)
ASSI { 6517}
(( segid " " and resid 278 and name HB3 ))
(( segid " " and resid 278 and name HA ))
2.500 0.800 0.800 peak 6517 spectrum 1 weight 0.10000E+01 volume 0.47933E-02 ppm1 1.945 ppm2 4.024 CV 1
OR { 6517}
(( segid " " and resid 278 and name HB3 ))
(( segid " " and resid 191 and name HB3 ))
ASSI { 6522}
(( segid " " and resid 202 and name HB3 ))
(( segid " " and resid 202 and name HA ))
2.400 0.700 0.700 peak 6522 spectrum 1 weight 0.10000E+01 volume 0.29595E-02 ppm1 1.656 ppm2 5.194 CV 1
OR { 6522}
(( segid " " and resid 202 and name HB3 ))
(( segid " " and resid 197 and name HA ))
ASSI { 6533}
(( segid " " and resid 202 and name HB2 ))
(( segid " " and resid 197 and name HA ))
3.000 1.100 1.100 peak 6533 spectrum 1 weight 0.10000E+01 volume 0.29894E-02 ppm1 1.549 ppm2 5.194 CV 1
OR { 6533}
(( segid " " and resid 202 and name HB2 ))
(( segid " " and resid 202 and name HA ))
ASSI { 6539}
(( segid " " and resid 278 and name HB2 ))
(( segid " " and resid 278 and name HA ))
2.700 0.900 0.900 peak 6539 spectrum 1 weight 0.10000E+01 volume 0.36968E-02 ppm1 1.311 ppm2 4.031 CV 1
OR { 6539}
(( segid " " and resid 278 and name HB2 ))
(( segid " " and resid 191 and name HB3 ))
ASSI { 6593}
(( segid " " and resid 244 and name HB3 ))
( segid " " and resid 237 and name HE% )
3.600 1.600 1.600 peak 6593 spectrum 1 weight 0.10000E+01 volume 0.60207E-03 ppm1 2.502 ppm2 6.972 CV 1
OR { 6593}
(( segid " " and resid 244 and name HB3 ))
(( segid " " and resid 263 and name HE3 ))
ASSI { 6596}
(( segid " " and resid 244 and name HB2 ))
(( segid " " and resid 263 and name HE3 ))
3.900 1.900 1.900 peak 6596 spectrum 1 weight 0.10000E+01 volume 0.60528E-03 ppm1 2.479 ppm2 6.976 CV 1
OR { 6596}
(( segid " " and resid 244 and name HB2 ))
( segid " " and resid 237 and name HE% )
ASSI { 6610}
(( segid " " and resid 197 and name HB3 ))
(( segid " " and resid 202 and name HG3 ))
3.900 1.900 1.900 peak 6610 spectrum 1 weight 0.10000E+01 volume 0.13936E-02 ppm1 2.285 ppm2 1.508 CV 1
OR { 6610}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 8 and name HG2 ))
OR { 6610}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 8 and name HG2 ))
OR { 6610}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 6612}
(( segid " " and resid 197 and name HB2 ))
(( segid " " and resid 197 and name HA ))
2.800 1.000 1.000 peak 6612 spectrum 1 weight 0.10000E+01 volume 0.14770E-02 ppm1 2.198 ppm2 5.192 CV 1
OR { 6612}
(( segid " " and resid 197 and name HB2 ))
(( segid " " and resid 202 and name HA ))
ASSI { 6613}
(( segid " " and resid 197 and name HB2 ))
(( segid " " and resid 198 and name HB2 ))
3.000 3.000 3.000 peak 6613 spectrum 1 weight 0.10000E+01 volume 0.48223E-02 ppm1 2.204 ppm2 1.879 CV 1
OR { 6613}
(( segid " " and resid 197 and name HB2 ))
(( segid " " and resid 201 and name HB2 ))
ASSI { 7026}
(( segid " " and resid 198 and name HG3 ))
(( segid " " and resid 175 and name HB3 ))
3.800 1.800 1.800 peak 7026 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 2.553 ppm2 1.763 CV 1
OR { 7026}
(( segid " " and resid 198 and name HG3 ))
(( segid " " and resid 199 and name HD3 ))
OR { 7026}
(( segid " " and resid 198 and name HG3 ))
(( segid " " and resid 199 and name HD2 ))
ASSI { 7028}
(( segid " " and resid 198 and name HG3 ))
(( segid " " and resid 175 and name HB2 ))
3.600 1.600 1.600 peak 7028 spectrum 1 weight 0.10000E+01 volume 0.11633E-02 ppm1 2.553 ppm2 1.476 CV 1
OR { 7028}
(( segid " " and resid 198 and name HG3 ))
( segid " " and resid 200 and name HB% )
ASSI { 7030}
(( segid " " and resid 198 and name HG3 ))
(( segid " " and resid 199 and name HG3 ))
4.000 2.000 2.000 peak 7030 spectrum 1 weight 0.10000E+01 volume 0.11042E-02 ppm1 2.546 ppm2 1.530 CV 1
OR { 7030}
(( segid " " and resid 198 and name HG3 ))
(( segid " " and resid 202 and name HB2 ))
ASSI { 7038}
(( segid " " and resid 198 and name HG2 ))
( segid " " and resid 200 and name HB% )
3.900 1.900 1.900 peak 7038 spectrum 1 weight 0.10000E+01 volume 0.12009E-02 ppm1 2.476 ppm2 1.481 CV 1
OR { 7038}
(( segid " " and resid 198 and name HG2 ))
(( segid " " and resid 175 and name HB2 ))
ASSI { 7095}
(( segid " " and resid 206 and name HB3 ))
( segid " " and resid 165 and name HB% )
4.500 2.500 1.500 peak 7095 spectrum 1 weight 0.10000E+01 volume 0.48896E-03 ppm1 1.681 ppm2 1.062 CV 1
OR { 7095}
(( segid " " and resid 206 and name HB3 ))
( segid " " and resid 260 and name HD1%)
ASSI { 7401}
(( segid " " and resid 190 and name HB2 ))
( segid " " and resid 260 and name HD2%)
3.700 1.700 1.700 peak 7401 spectrum 1 weight 0.10000E+01 volume 0.97802E-03 ppm1 2.263 ppm2 1.129 CV 1
OR { 7401}
(( segid " " and resid 190 and name HB3 ))
( segid " " and resid 260 and name HD2%)
OR { 7401}
(( segid " " and resid 190 and name HB3 ))
(( segid " " and resid 277 and name HB2 ))
ASSI { 7531}
(( segid " " and resid 278 and name HG3 ))
(( segid " " and resid 278 and name HA ))
3.300 1.400 1.400 peak 7531 spectrum 1 weight 0.10000E+01 volume 0.24128E-02 ppm1 2.090 ppm2 4.029 CV 1
OR { 7531}
(( segid " " and resid 278 and name HG3 ))
(( segid " " and resid 191 and name HB3 ))
ASSI { 7534}
(( segid " " and resid 278 and name HG3 ))
(( segid " " and resid 12 and name HG2 ))
4.000 2.000 2.000 peak 7534 spectrum 1 weight 0.10000E+01 volume 0.69026E-03 ppm1 2.090 ppm2 0.902 CV 1
OR { 7534}
(( segid " " and resid 278 and name HG3 ))
( segid " " and resid 234 and name HD1%)
OR { 7534}
(( segid " " and resid 278 and name HG3 ))
(( segid " " and resid 235 and name HB2 ))
ASSI { 7584}
(( segid " " and resid 278 and name HG2 ))
(( segid " " and resid 278 and name HA ))
3.300 1.300 1.300 peak 7584 spectrum 1 weight 0.10000E+01 volume 0.22522E-02 ppm1 1.604 ppm2 4.028 CV 1
OR { 7584}
(( segid " " and resid 278 and name HG2 ))
(( segid " " and resid 191 and name HB3 ))
ASSI { 7880}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 206 and name HB2 ))
4.400 2.400 1.600 peak 7880 spectrum 1 weight 0.10000E+01 volume 0.87509E-03 ppm1 2.057 ppm2 1.372 CV 1
OR { 7880}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 8181}
(( segid " " and resid 202 and name HG3 ))
(( segid " " and resid 197 and name HA ))
3.200 1.300 1.300 peak 8181 spectrum 1 weight 0.10000E+01 volume 0.30960E-02 ppm1 1.508 ppm2 5.196 CV 1
OR { 8181}
(( segid " " and resid 202 and name HG3 ))
(( segid " " and resid 202 and name HA ))
ASSI { 8186}
(( segid " " and resid 202 and name HG2 ))
(( segid " " and resid 202 and name HA ))
2.800 1.000 1.000 peak 8186 spectrum 1 weight 0.10000E+01 volume 0.29272E-02 ppm1 1.466 ppm2 5.197 CV 1
OR { 8186}
(( segid " " and resid 202 and name HG2 ))
(( segid " " and resid 197 and name HA ))
ASSI { 8259}
(( segid " " and resid 280 and name HG ))
(( segid " " and resid 278 and name HG3 ))
3.600 3.600 2.400 peak 8259 spectrum 1 weight 0.10000E+01 volume 0.53731E-03 ppm1 0.631 ppm2 2.085 CV 1
OR { 8259}
(( segid " " and resid 280 and name HG ))
(( segid " " and resid 234 and name HB ))
ASSI { 8318}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HA ))
3.800 1.800 1.800 peak 8318 spectrum 1 weight 0.10000E+01 volume 0.12263E-02 ppm1 1.511 ppm2 2.297 CV 1
OR { 8318}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HA ))
OR { 8318}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 7 and name HG2 ))
ASSI { 8389}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 161 and name HA ))
2.700 2.700 3.300 peak 8389 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 0.597 ppm2 5.003 CV 1
OR { 8389}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 205 and name HA ))
ASSI { 8390}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 185 and name HA ))
3.100 3.100 2.900 peak 8390 spectrum 1 weight 0.10000E+01 volume 0.50298E-03 ppm1 0.598 ppm2 4.209 CV 1
OR { 8390}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 209 and name HA ))
OR { 8390}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 188 and name HA ))
ASSI { 8392}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 161 and name HB3 ))
2.800 1.000 1.000 peak 8392 spectrum 1 weight 0.10000E+01 volume 0.26424E-02 ppm1 0.596 ppm2 2.914 CV 1
OR { 8392}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 194 and name HB3 ))
ASSI { 8394}
( segid " " and resid 210 and name HD1%)
( segid " " and resid 198 and name HE% )
3.700 1.700 1.700 peak 8394 spectrum 1 weight 0.10000E+01 volume 0.52560E-03 ppm1 0.598 ppm2 2.120 CV 1
OR { 8394}
( segid " " and resid 210 and name HD1%)
(( segid " " and resid 211 and name HB3 ))
ASSI { 8407}
(( segid " " and resid 276 and name HG3 ))
(( segid " " and resid 275 and name HB3 ))
4.000 2.000 2.000 peak 8407 spectrum 1 weight 0.10000E+01 volume 0.69071E-03 ppm1 0.192 ppm2 3.032 CV 1
OR { 8407}
(( segid " " and resid 276 and name HG3 ))
(( segid " " and resid 13 and name HD2 ))
ASSI { 8412}
(( segid " " and resid 276 and name HG3 ))
(( segid " " and resid 263 and name HZ3 ))
4.000 2.000 2.000 peak 8412 spectrum 1 weight 0.10000E+01 volume 0.91516E-03 ppm1 0.189 ppm2 6.533 CV 1
OR { 8412}
(( segid " " and resid 276 and name HG3 ))
( segid " " and resid 279 and name HD% )
ASSI { 8419}
(( segid " " and resid 276 and name HG2 ))
( segid " " and resid 279 and name HD% )
3.300 1.400 1.400 peak 8419 spectrum 1 weight 0.10000E+01 volume 0.86690E-03 ppm1 -0.384 ppm2 6.531 CV 1
OR { 8419}
(( segid " " and resid 276 and name HG2 ))
(( segid " " and resid 263 and name HZ3 ))
ASSI { 8422}
(( segid " " and resid 276 and name HG2 ))
(( segid " " and resid 237 and name HB2 ))
4.100 2.100 1.900 peak 8422 spectrum 1 weight 0.10000E+01 volume 0.59565E-03 ppm1 -0.388 ppm2 3.029 CV 1
OR { 8422}
(( segid " " and resid 276 and name HG2 ))
(( segid " " and resid 275 and name HB3 ))
OR { 8422}
(( segid " " and resid 276 and name HG2 ))
(( segid " " and resid 13 and name HD2 ))
ASSI { 8597}
( segid " " and resid 177 and name HD2%)
(( segid " " and resid 167 and name HB3 ))
2.700 0.900 0.900 peak 8597 spectrum 1 weight 0.10000E+01 volume 0.31293E-02 ppm1 0.913 ppm2 2.709 CV 1
OR { 8597}
( segid " " and resid 177 and name HD2%)
(( segid " " and resid 206 and name HD3 ))
ASSI { 8636}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 247 and name HA ))
3.200 1.300 1.300 peak 8636 spectrum 1 weight 0.10000E+01 volume 0.25404E-02 ppm1 -0.306 ppm2 4.872 CV 1
OR { 8636}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 253 and name HA ))
ASSI { 8639}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 253 and name HB ))
3.400 1.400 1.400 peak 8639 spectrum 1 weight 0.10000E+01 volume 0.18817E-02 ppm1 -0.304 ppm2 2.085 CV 1
OR { 8639}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 251 and name HB3 ))
ASSI { 8641}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 280 and name HB3 ))
3.600 1.600 1.600 peak 8641 spectrum 1 weight 0.10000E+01 volume 0.13347E-02 ppm1 -0.305 ppm2 1.820 CV 1
OR { 8641}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 267 and name HB3 ))
OR { 8641}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 249 and name HB2 ))
ASSI { 8648}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 246 and name HA ))
4.100 2.100 1.900 peak 8648 spectrum 1 weight 0.10000E+01 volume 0.56598E-03 ppm1 -0.308 ppm2 5.513 CV 1
OR { 8648}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 280 and name HA ))
ASSI { 8649}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 275 and name HB3 ))
3.900 1.900 1.900 peak 8649 spectrum 1 weight 0.10000E+01 volume 0.73887E-03 ppm1 -0.311 ppm2 3.026 CV 1
OR { 8649}
( segid " " and resid 247 and name HD2%)
(( segid " " and resid 279 and name HB2 ))
ASSI { 8840}
(( segid " " and resid 169 and name HG3 ))
(( segid " " and resid 176 and name HA ))
2.800 1.000 1.000 peak 8840 spectrum 1 weight 0.10000E+01 volume 0.23495E-02 ppm1 1.288 ppm2 4.615 CV 1
OR { 8840}
(( segid " " and resid 169 and name HG3 ))
(( segid " " and resid 175 and name HA ))
OR { 8840}
(( segid " " and resid 169 and name HG2 ))
(( segid " " and resid 175 and name HA ))
OR { 8840}
(( segid " " and resid 169 and name HG2 ))
(( segid " " and resid 176 and name HA ))
ASSI { 8858}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 176 and name HA ))
3.200 3.200 2.800 peak 8858 spectrum 1 weight 0.10000E+01 volume 0.71622E-03 ppm1 0.985 ppm2 4.613 CV 1
OR { 8858}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 175 and name HA ))
ASSI { 8862}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 167 and name HB3 ))
2.900 1.000 1.000 peak 8862 spectrum 1 weight 0.10000E+01 volume 0.34165E-02 ppm1 0.984 ppm2 2.715 CV 1
OR { 8862}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 181 and name HB2 ))
OR { 8862}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 181 and name HB3 ))
ASSI { 8863}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 206 and name HD2 ))
3.200 1.300 1.300 peak 8863 spectrum 1 weight 0.10000E+01 volume 0.13773E-02 ppm1 0.984 ppm2 2.358 CV 1
OR { 8863}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 175 and name HG3 ))
ASSI { 8865}
( segid " " and resid 177 and name HD1%)
( segid " " and resid 163 and name HB% )
2.500 0.800 0.800 peak 8865 spectrum 1 weight 0.10000E+01 volume 0.11512E-01 ppm1 0.985 ppm2 1.666 CV 1
OR { 8865}
( segid " " and resid 177 and name HD1%)
( segid " " and resid 175 and name HE% )
ASSI { 8866}
( segid " " and resid 177 and name HD1%)
( segid " " and resid 176 and name HB% )
3.000 3.000 3.000 peak 8866 spectrum 1 weight 0.10000E+01 volume 0.16741E-02 ppm1 0.985 ppm2 1.445 CV 1
OR { 8866}
( segid " " and resid 177 and name HD1%)
(( segid " " and resid 175 and name HB2 ))
ASSI { 8871}
( segid " " and resid 213 and name HD2%)
(( segid " " and resid 162 and name HA ))
2.400 2.400 3.600 peak 8871 spectrum 1 weight 0.10000E+01 volume 0.22677E-02 ppm1 0.834 ppm2 5.635 CV 1
OR { 8871}
( segid " " and resid 213 and name HD2%)
(( segid " " and resid 160 and name HA ))
ASSI { 8898}
( segid " " and resid 247 and name HD1%)
(( segid " " and resid 251 and name HA ))
4.000 2.000 2.000 peak 8898 spectrum 1 weight 0.10000E+01 volume 0.90747E-03 ppm1 0.637 ppm2 4.150 CV 1
OR { 8898}
( segid " " and resid 247 and name HD1%)
(( segid " " and resid 269 and name HA ))
ASSI { 8901}
( segid " " and resid 247 and name HD1%)
(( segid " " and resid 251 and name HB3 ))
3.100 1.200 1.200 peak 8901 spectrum 1 weight 0.10000E+01 volume 0.32668E-02 ppm1 0.635 ppm2 2.091 CV 1
OR { 8901}
( segid " " and resid 247 and name HD1%)
(( segid " " and resid 253 and name HB ))
ASSI { 8904}
( segid " " and resid 247 and name HD1%)
( segid " " and resid 252 and name HB% )
2.900 2.900 3.100 peak 8904 spectrum 1 weight 0.10000E+01 volume 0.47345E-02 ppm1 0.635 ppm2 1.480 CV 1
OR { 8904}
( segid " " and resid 247 and name HD1%)
(( segid " " and resid 267 and name HG2 ))
ASSI { 8911}
( segid " " and resid 247 and name HD1%)
(( segid " " and resid 245 and name HA ))
4.100 2.100 1.900 peak 8911 spectrum 1 weight 0.10000E+01 volume 0.69600E-03 ppm1 0.632 ppm2 4.429 CV 1
OR { 8911}
( segid " " and resid 247 and name HD1%)
(( segid " " and resid 236 and name HA ))
ASSI { 8985}
( segid " " and resid 253 and name HG1%)
(( segid " " and resid 232 and name HA ))
3.600 1.600 1.600 peak 8985 spectrum 1 weight 0.10000E+01 volume 0.11685E-02 ppm1 0.724 ppm2 5.147 CV 1
OR { 8985}
( segid " " and resid 253 and name HG1%)
(( segid " " and resid 233 and name HA ))
ASSI { 9007}
( segid " " and resid 255 and name HG1%)
(( segid " " and resid 258 and name HE2 ))
3.800 1.800 1.800 peak 9007 spectrum 1 weight 0.10000E+01 volume 0.11667E-02 ppm1 0.605 ppm2 2.462 CV 1
OR { 9007}
( segid " " and resid 255 and name HG1%)
(( segid " " and resid 258 and name HE3 ))
OR { 9007}
( segid " " and resid 255 and name HG1%)
(( segid " " and resid 257 and name HB2 ))
ASSI { 9017}
( segid " " and resid 255 and name HG1%)
(( segid " " and resid 257 and name HA ))
3.800 1.800 1.800 peak 9017 spectrum 1 weight 0.10000E+01 volume 0.10152E-02 ppm1 0.602 ppm2 5.016 CV 1
OR { 9017}
( segid " " and resid 255 and name HG1%)
(( segid " " and resid 254 and name HA ))
ASSI { 9085}
( segid " " and resid 160 and name HG2%)
(( segid " " and resid 213 and name HA ))
4.500 2.500 1.500 peak 9085 spectrum 1 weight 0.10000E+01 volume 0.52008E-03 ppm1 1.221 ppm2 4.204 CV 1
OR { 9085}
( segid " " and resid 160 and name HG2%)
(( segid " " and resid 185 and name HA ))
ASSI { 9109}
( segid " " and resid 185 and name HG2%)
(( segid " " and resid 161 and name HB3 ))
3.100 1.200 1.200 peak 9109 spectrum 1 weight 0.10000E+01 volume 0.27882E-02 ppm1 0.868 ppm2 2.917 CV 1
OR { 9109}
( segid " " and resid 185 and name HG2%)
(( segid " " and resid 194 and name HB2 ))
OR { 9109}
( segid " " and resid 185 and name HG2%)
(( segid " " and resid 194 and name HB3 ))
ASSI { 9229}
( segid " " and resid 255 and name HG2%)
(( segid " " and resid 254 and name HA ))
4.100 2.100 1.900 peak 9229 spectrum 1 weight 0.10000E+01 volume 0.67181E-03 ppm1 0.363 ppm2 4.995 CV 1
OR { 9229}
( segid " " and resid 255 and name HG2%)
(( segid " " and resid 230 and name HA ))
ASSI { 9287}
( segid " " and resid 210 and name HD2%)
(( segid " " and resid 209 and name HB3 ))
3.100 3.100 2.900 peak 9287 spectrum 1 weight 0.10000E+01 volume 0.65801E-03 ppm1 0.663 ppm2 3.226 CV 1
OR { 9287}
( segid " " and resid 210 and name HD2%)
(( segid " " and resid 162 and name HD3 ))
ASSI { 9293}
( segid " " and resid 210 and name HD2%)
(( segid " " and resid 210 and name HB3 ))
2.400 0.700 0.700 peak 9293 spectrum 1 weight 0.10000E+01 volume 0.61111E-02 ppm1 0.661 ppm2 1.670 CV 1
OR { 9293}
( segid " " and resid 210 and name HD2%)
( segid " " and resid 163 and name HB% )
ASSI { 9364}
( segid " " and resid 170 and name HG2%)
(( segid " " and resid 11 and name HB2 ))
3.100 3.100 2.900 peak 9364 spectrum 1 weight 0.10000E+01 volume 0.46884E-03 ppm1 1.251 ppm2 2.717 CV 1
OR { 9364}
( segid " " and resid 170 and name HG2%)
(( segid " " and resid 167 and name HB3 ))
OR { 9364}
( segid " " and resid 170 and name HG2%)
(( segid " " and resid 206 and name HD3 ))
ASSI { 9365}
( segid " " and resid 170 and name HG2%)
(( segid " " and resid 14 and name HG3 ))
2.700 2.700 3.300 peak 9365 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 1.252 ppm2 2.082 CV 1
OR { 9365}
( segid " " and resid 170 and name HG2%)
(( segid " " and resid 169 and name HD2 ))
OR { 9365}
( segid " " and resid 170 and name HG2%)
(( segid " " and resid 169 and name HD3 ))
OR { 9365}
( segid " " and resid 170 and name HG2%)
(( segid " " and resid 168 and name HG3 ))
ASSI { 9383}
( segid " " and resid 165 and name HB% )
(( segid " " and resid 166 and name HA ))
3.900 1.900 1.900 peak 9383 spectrum 1 weight 0.10000E+01 volume 0.70554E-03 ppm1 1.061 ppm2 4.779 CV 1
OR { 9383}
( segid " " and resid 165 and name HB% )
(( segid " " and resid 167 and name HA ))
ASSI { 9385}
( segid " " and resid 165 and name HB% )
(( segid " " and resid 17 and name HA ))
3.200 1.300 1.300 peak 9385 spectrum 1 weight 0.10000E+01 volume 0.26925E-02 ppm1 1.060 ppm2 4.242 CV 1
OR { 9385}
( segid " " and resid 165 and name HB% )
(( segid " " and resid 16 and name HA ))
ASSI { 9437}
( segid " " and resid 183 and name HG1%)
(( segid " " and resid 202 and name HA ))
3.600 1.600 1.600 peak 9437 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 0.783 ppm2 5.227 CV 1
OR { 9437}
( segid " " and resid 183 and name HG1%)
(( segid " " and resid 163 and name HA ))
ASSI { 9440}
( segid " " and resid 183 and name HG1%)
(( segid " " and resid 161 and name HB3 ))
4.000 2.000 2.000 peak 9440 spectrum 1 weight 0.10000E+01 volume 0.70269E-03 ppm1 0.785 ppm2 2.899 CV 1
OR { 9440}
( segid " " and resid 183 and name HG1%)
(( segid " " and resid 194 and name HB3 ))
ASSI { 9455}
( segid " " and resid 265 and name HG2%)
( segid " " and resid 272 and name HG2%)
2.600 0.900 0.900 peak 9455 spectrum 1 weight 0.10000E+01 volume 0.10107E-01 ppm1 0.742 ppm2 1.050 CV 1
OR { 9455}
( segid " " and resid 265 and name HG2%)
( segid " " and resid 259 and name HD1%)
ASSI { 9466}
( segid " " and resid 185 and name HG1%)
( segid " " and resid 175 and name HE% )
4.100 2.100 1.900 peak 9466 spectrum 1 weight 0.10000E+01 volume 0.61831E-03 ppm1 0.378 ppm2 1.686 CV 1
OR { 9466}
( segid " " and resid 185 and name HG1%)
(( segid " " and resid 210 and name HB3 ))
OR { 9466}
( segid " " and resid 185 and name HG1%)
(( segid " " and resid 205 and name HB ))
ASSI { 9477}
( segid " " and resid 185 and name HG1%)
(( segid " " and resid 188 and name HE3 ))
3.000 3.000 3.000 peak 9477 spectrum 1 weight 0.10000E+01 volume 0.39895E-02 ppm1 0.375 ppm2 2.194 CV 1
OR { 9477}
( segid " " and resid 185 and name HG1%)
(( segid " " and resid 187 and name HG2 ))
OR { 9477}
( segid " " and resid 185 and name HG1%)
(( segid " " and resid 187 and name HG3 ))
ASSI { 9557}
( segid " " and resid 238 and name HG2%)
( segid " " and resid 236 and name HB% )
4.100 2.100 1.900 peak 9557 spectrum 1 weight 0.10000E+01 volume 0.48887E-03 ppm1 1.138 ppm2 1.507 CV 1
OR { 9557}
( segid " " and resid 238 and name HG2%)
(( segid " " and resid 248 and name HB2 ))
OR { 9557}
( segid " " and resid 238 and name HG2%)
(( segid " " and resid 248 and name HB3 ))
ASSI { 9581}
( segid " " and resid 205 and name HG2%)
(( segid " " and resid 207 and name HA ))
3.700 1.700 1.700 peak 9581 spectrum 1 weight 0.10000E+01 volume 0.13060E-02 ppm1 1.022 ppm2 2.505 CV 1
OR { 9581}
( segid " " and resid 205 and name HG2%)
(( segid " " and resid 196 and name HB2 ))
ASSI { 9582}
( segid " " and resid 205 and name HG2%)
(( segid " " and resid 206 and name HD2 ))
2.500 0.800 0.800 peak 9582 spectrum 1 weight 0.10000E+01 volume 0.36954E-02 ppm1 1.019 ppm2 2.338 CV 1
OR { 9582}
( segid " " and resid 205 and name HG2%)
(( segid " " and resid 175 and name HG3 ))
ASSI { 9595}
( segid " " and resid 186 and name HG2%)
(( segid " " and resid 197 and name HA ))
4.500 2.600 1.500 peak 9595 spectrum 1 weight 0.10000E+01 volume 0.52768E-03 ppm1 0.946 ppm2 5.189 CV 1
OR { 9595}
( segid " " and resid 186 and name HG2%)
(( segid " " and resid 202 and name HA ))
ASSI { 9609}
( segid " " and resid 182 and name HG2%)
(( segid " " and resid 213 and name HB3 ))
3.100 1.200 1.200 peak 9609 spectrum 1 weight 0.10000E+01 volume 0.25671E-02 ppm1 0.942 ppm2 1.533 CV 1
OR { 9609}
( segid " " and resid 182 and name HG2%)
(( segid " " and resid 162 and name HB2 ))
OR { 9609}
( segid " " and resid 186 and name HG2%)
(( segid " " and resid 202 and name HB2 ))
ASSI { 9610}
( segid " " and resid 182 and name HG2%)
(( segid " " and resid 213 and name HB3 ))
3.200 1.300 1.300 peak 9610 spectrum 1 weight 0.10000E+01 volume 0.24910E-02 ppm1 0.940 ppm2 1.520 CV 1
OR { 9610}
( segid " " and resid 186 and name HG2%)
(( segid " " and resid 202 and name HB2 ))
OR { 9610}
( segid " " and resid 186 and name HG2%)
(( segid " " and resid 202 and name HG3 ))
ASSI { 9624}
( segid " " and resid 245 and name HG2%)
(( segid " " and resid 271 and name HB ))
3.300 1.400 1.400 peak 9624 spectrum 1 weight 0.10000E+01 volume 0.14932E-02 ppm1 0.873 ppm2 2.207 CV 1
OR { 9624}
( segid " " and resid 245 and name HG2%)
(( segid " " and resid 276 and name HD3 ))
ASSI { 9672}
( segid " " and resid 239 and name HB% )
( segid " " and resid 247 and name HD1%)
4.100 2.100 1.900 peak 9672 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 1.346 ppm2 0.653 CV 1
OR { 9672}
( segid " " and resid 239 and name HB% )
(( segid " " and resid 276 and name HD2 ))
ASSI { 9689}
( segid " " and resid 232 and name HG2%)
(( segid " " and resid 281 and name HA ))
3.600 1.600 1.600 peak 9689 spectrum 1 weight 0.10000E+01 volume 0.18743E-02 ppm1 0.795 ppm2 4.847 CV 1
OR { 9689}
( segid " " and resid 232 and name HG1%)
(( segid " " and resid 253 and name HA ))
ASSI { 9713}
( segid " " and resid 186 and name HG1%)
(( segid " " and resid 197 and name HA ))
3.400 1.400 1.400 peak 9713 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 0.744 ppm2 5.203 CV 1
OR { 9713}
( segid " " and resid 186 and name HG1%)
(( segid " " and resid 202 and name HA ))
ASSI { 9762}
( segid " " and resid 163 and name HB% )
(( segid " " and resid 177 and name HA ))
3.500 1.600 1.600 peak 9762 spectrum 1 weight 0.10000E+01 volume 0.14925E-02 ppm1 1.654 ppm2 4.913 CV 1
OR { 9762}
( segid " " and resid 163 and name HB% )
(( segid " " and resid 182 and name HA ))
ASSI { 9764}
( segid " " and resid 163 and name HB% )
(( segid " " and resid 180 and name HA2 ))
3.600 1.600 1.600 peak 9764 spectrum 1 weight 0.10000E+01 volume 0.19313E-02 ppm1 1.654 ppm2 4.482 CV 1
OR { 9764}
( segid " " and resid 163 and name HB% )
(( segid " " and resid 181 and name HA ))
ASSI { 9766}
( segid " " and resid 163 and name HB% )
(( segid " " and resid 179 and name HB ))
3.900 1.900 1.900 peak 9766 spectrum 1 weight 0.10000E+01 volume 0.85076E-03 ppm1 1.654 ppm2 3.778 CV 1
OR { 9766}
( segid " " and resid 163 and name HB% )
(( segid " " and resid 178 and name HB3 ))
ASSI { 9770}
( segid " " and resid 163 and name HB% )
( segid " " and resid 198 and name HE% )
4.000 2.000 2.000 peak 9770 spectrum 1 weight 0.10000E+01 volume 0.77695E-03 ppm1 1.652 ppm2 2.133 CV 1
OR { 9770}
( segid " " and resid 163 and name HB% )
(( segid " " and resid 211 and name HB3 ))
ASSI { 9772}
( segid " " and resid 163 and name HB% )
( segid " " and resid 205 and name HD1%)
2.600 2.600 3.400 peak 9772 spectrum 1 weight 0.10000E+01 volume 0.83244E-02 ppm1 1.655 ppm2 0.947 CV 1
OR { 9772}
( segid " " and resid 163 and name HB% )
( segid " " and resid 182 and name HG2%)
ASSI { 9785}
( segid " " and resid 176 and name HB% )
(( segid " " and resid 168 and name HB3 ))
2.300 2.300 3.700 peak 9785 spectrum 1 weight 0.10000E+01 volume 0.46115E-02 ppm1 1.453 ppm2 1.752 CV 1
OR { 9785}
( segid " " and resid 176 and name HB% )
(( segid " " and resid 177 and name HG ))
ASSI { 9787}
( segid " " and resid 176 and name HB% )
( segid " " and resid 205 and name HG2%)
3.600 1.600 1.600 peak 9787 spectrum 1 weight 0.10000E+01 volume 0.11556E-02 ppm1 1.455 ppm2 0.999 CV 1
OR { 9787}
( segid " " and resid 176 and name HB% )
( segid " " and resid 177 and name HD1%)
ASSI { 9803}
( segid " " and resid 183 and name HG2%)
(( segid " " and resid 160 and name HA ))
3.600 1.600 1.600 peak 9803 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 0.832 ppm2 5.626 CV 1
OR { 9803}
( segid " " and resid 183 and name HG2%)
(( segid " " and resid 162 and name HA ))
ASSI { 9814}
( segid " " and resid 183 and name HG2%)
(( segid " " and resid 196 and name HB3 ))
2.600 0.900 0.900 peak 9814 spectrum 1 weight 0.10000E+01 volume 0.37636E-02 ppm1 0.829 ppm2 2.630 CV 1
OR { 9814}
( segid " " and resid 183 and name HG2%)
(( segid " " and resid 161 and name HB2 ))
ASSI { 9816}
( segid " " and resid 183 and name HG2%)
( segid " " and resid 175 and name HE% )
3.100 1.200 1.200 peak 9816 spectrum 1 weight 0.10000E+01 volume 0.25077E-02 ppm1 0.830 ppm2 1.674 CV 1
OR { 9816}
( segid " " and resid 183 and name HG2%)
(( segid " " and resid 210 and name HB3 ))
ASSI { 9876}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 19 and name HG3 ))
3.000 3.000 3.000 peak 9876 spectrum 1 weight 0.10000E+01 volume 0.69469E-03 ppm1 1.270 ppm2 2.361 CV 1
OR { 9876}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 261 and name HB2 ))
ASSI { 9877}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 17 and name HB3 ))
3.700 1.700 1.700 peak 9877 spectrum 1 weight 0.10000E+01 volume 0.14534E-02 ppm1 1.271 ppm2 1.970 CV 1
OR { 9877}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 19 and name HB3 ))
ASSI { 9899}
( segid " " and resid 266 and name HG2%)
(( segid " " and resid 255 and name HA ))
3.000 1.100 1.100 peak 9899 spectrum 1 weight 0.10000E+01 volume 0.33398E-02 ppm1 0.914 ppm2 4.062 CV 1
OR { 9899}
( segid " " and resid 266 and name HG2%)
(( segid " " and resid 273 and name HA2 ))
ASSI { 9901}
( segid " " and resid 266 and name HG2%)
(( segid " " and resid 231 and name HB3 ))
3.800 1.800 1.800 peak 9901 spectrum 1 weight 0.10000E+01 volume 0.84777E-03 ppm1 0.918 ppm2 2.757 CV 1
OR { 9901}
( segid " " and resid 266 and name HG2%)
(( segid " " and resid 274 and name HB2 ))
OR { 9901}
( segid " " and resid 266 and name HG2%)
(( segid " " and resid 231 and name HB2 ))
ASSI { 9929}
( segid " " and resid 234 and name HG2%)
( segid " " and resid 233 and name HB% )
3.700 1.700 1.700 peak 9929 spectrum 1 weight 0.10000E+01 volume 0.12432E-02 ppm1 0.882 ppm2 1.428 CV 1
OR { 9929}
( segid " " and resid 234 and name HG2%)
(( segid " " and resid 280 and name HB2 ))
ASSI {10007}
( segid " " and resid 164 and name HG2%)
(( segid " " and resid 163 and name HA ))
3.300 1.400 1.400 peak 10007 spectrum 1 weight 0.10000E+01 volume 0.16656E-02 ppm1 0.808 ppm2 5.251 CV 1
OR {10007}
( segid " " and resid 164 and name HG2%)
(( segid " " and resid 211 and name HA ))
ASSI {10009}
( segid " " and resid 164 and name HG2%)
(( segid " " and resid 212 and name HD3 ))
3.900 1.900 1.900 peak 10009 spectrum 1 weight 0.10000E+01 volume 0.66032E-03 ppm1 0.809 ppm2 4.029 CV 1
OR {10009}
( segid " " and resid 164 and name HG2%)
(( segid " " and resid 208 and name HA ))
ASSI {10011}
( segid " " and resid 164 and name HG2%)
(( segid " " and resid 162 and name HD3 ))
3.400 1.500 1.500 peak 10011 spectrum 1 weight 0.10000E+01 volume 0.11070E-02 ppm1 0.806 ppm2 3.200 CV 1
OR {10011}
( segid " " and resid 164 and name HG2%)
(( segid " " and resid 209 and name HB3 ))
ASSI {10100}
( segid " " and resid 233 and name HB% )
(( segid " " and resid 234 and name HA ))
3.200 1.300 1.300 peak 10100 spectrum 1 weight 0.10000E+01 volume 0.17489E-02 ppm1 1.443 ppm2 4.438 CV 1
OR {10100}
( segid " " and resid 233 and name HB% )
(( segid " " and resid 236 and name HA ))
ASSI {10102}
( segid " " and resid 233 and name HB% )
(( segid " " and resid 279 and name HB2 ))
4.100 2.100 1.900 peak 10102 spectrum 1 weight 0.10000E+01 volume 0.74299E-03 ppm1 1.445 ppm2 2.991 CV 1
OR {10102}
( segid " " and resid 233 and name HB% )
(( segid " " and resid 237 and name HB2 ))
ASSI {10105}
( segid " " and resid 233 and name HB% )
( segid " " and resid 280 and name HD2%)
2.800 1.000 1.000 peak 10105 spectrum 1 weight 0.10000E+01 volume 0.47635E-02 ppm1 1.441 ppm2 0.520 CV 1
OR {10105}
( segid " " and resid 233 and name HB% )
( segid " " and resid 253 and name HG2%)
ASSI {10110}
( segid " " and resid 233 and name HB% )
( segid " " and resid 234 and name HG2%)
3.400 1.400 1.400 peak 10110 spectrum 1 weight 0.10000E+01 volume 0.21757E-02 ppm1 1.439 ppm2 0.871 CV 1
OR {10110}
( segid " " and resid 233 and name HB% )
( segid " " and resid 248 and name HD2%)
OR {10110}
( segid " " and resid 233 and name HB% )
( segid " " and resid 248 and name HD1%)
ASSI {10114}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 21 and name HD2 ))
3.600 1.600 1.600 peak 10114 spectrum 1 weight 0.10000E+01 volume 0.17687E-02 ppm1 1.319 ppm2 2.970 CV 1
OR {10114}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 17 and name HD2 ))
ASSI {10115}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 19 and name HB3 ))
4.600 2.700 1.400 peak 10115 spectrum 1 weight 0.10000E+01 volume 0.57923E-03 ppm1 1.319 ppm2 1.986 CV 1
OR {10115}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 17 and name HB3 ))
ASSI {10150}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 232 and name HA ))
3.100 1.200 1.200 peak 10150 spectrum 1 weight 0.10000E+01 volume 0.18198E-02 ppm1 0.492 ppm2 5.147 CV 1
OR {10150}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 233 and name HA ))
ASSI {10151}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 252 and name HA ))
3.100 1.200 1.200 peak 10151 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 0.491 ppm2 5.018 CV 1
OR {10151}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 254 and name HA ))
ASSI {10156}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 230 and name HB3 ))
4.100 2.100 1.900 peak 10156 spectrum 1 weight 0.10000E+01 volume 0.60130E-03 ppm1 0.492 ppm2 2.264 CV 1
OR {10156}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 254 and name HG3 ))
ASSI {10158}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 280 and name HB3 ))
3.200 1.300 1.300 peak 10158 spectrum 1 weight 0.10000E+01 volume 0.16841E-02 ppm1 0.492 ppm2 1.787 CV 1
OR {10158}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 232 and name HB ))
ASSI {10159}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 266 and name HB ))
3.000 1.100 1.100 peak 10159 spectrum 1 weight 0.10000E+01 volume 0.23590E-02 ppm1 0.492 ppm2 1.670 CV 1
OR {10159}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 247 and name HB3 ))
ASSI {10160}
( segid " " and resid 253 and name HG2%)
( segid " " and resid 233 and name HB% )
3.000 1.100 1.100 peak 10160 spectrum 1 weight 0.10000E+01 volume 0.22902E-02 ppm1 0.493 ppm2 1.454 CV 1
OR {10160}
( segid " " and resid 253 and name HG2%)
(( segid " " and resid 280 and name HB2 ))
ASSI {10247}
( segid " " and resid 198 and name HE% )
(( segid " " and resid 202 and name HA ))
3.200 3.200 2.800 peak 10247 spectrum 1 weight 0.10000E+01 volume 0.75737E-03 ppm1 2.149 ppm2 5.201 CV 1
OR {10247}
( segid " " and resid 198 and name HE% )
(( segid " " and resid 163 and name HA ))
ASSI {10249}
( segid " " and resid 198 and name HE% )
(( segid " " and resid 198 and name HA ))
2.300 2.300 3.700 peak 10249 spectrum 1 weight 0.10000E+01 volume 0.31738E-02 ppm1 2.149 ppm2 4.648 CV 1
OR {10249}
( segid " " and resid 198 and name HE% )
(( segid " " and resid 175 and name HA ))
ASSI {10268}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 196 and name HA ))
3.000 3.000 3.000 peak 10268 spectrum 1 weight 0.10000E+01 volume 0.28032E-02 ppm1 1.671 ppm2 5.296 CV 1
OR {10268}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 204 and name HA ))
ASSI {10269}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 202 and name HA ))
2.300 0.700 0.700 peak 10269 spectrum 1 weight 0.10000E+01 volume 0.79500E-02 ppm1 1.671 ppm2 5.196 CV 1
OR {10269}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 197 and name HA ))
ASSI {10270}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 183 and name HA ))
3.300 1.300 1.300 peak 10270 spectrum 1 weight 0.10000E+01 volume 0.26434E-02 ppm1 1.671 ppm2 4.979 CV 1
OR {10270}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 205 and name HA ))
ASSI {10271}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 175 and name HA ))
3.400 1.500 1.500 peak 10271 spectrum 1 weight 0.10000E+01 volume 0.32922E-02 ppm1 1.670 ppm2 4.638 CV 1
OR {10271}
( segid " " and resid 175 and name HE% )
(( segid " " and resid 198 and name HA ))
ASSI {10339}
( segid " " and resid 278 and name HE% )
(( segid " " and resid 193 and name HZ2 ))
2.700 2.700 3.300 peak 10339 spectrum 1 weight 0.10000E+01 volume 0.97743E-03 ppm1 1.898 ppm2 7.169 CV 1
OR {10339}
( segid " " and resid 278 and name HE% )
(( segid " " and resid 193 and name HE3 ))
OR {10339}
( segid " " and resid 278 and name HE% )
(( segid " " and resid 263 and name HZ2 ))
ASSI {10361}
( segid " " and resid 278 and name HE% )
(( segid " " and resid 276 and name HB3 ))
3.000 1.200 1.200 peak 10361 spectrum 1 weight 0.10000E+01 volume 0.12348E-02 ppm1 1.899 ppm2 0.388 CV 1
OR {10361}
( segid " " and resid 278 and name HE% )
(( segid " " and resid 8 and name HB2 ))
ASSI {10403}
( segid " " and resid 266 and name HD1%)
(( segid " " and resid 253 and name HA ))
3.900 1.900 1.900 peak 10403 spectrum 1 weight 0.10000E+01 volume 0.20225E-02 ppm1 0.562 ppm2 4.871 CV 1
OR {10403}
( segid " " and resid 266 and name HD1%)
(( segid " " and resid 247 and name HA ))
ASSI {10410}
( segid " " and resid 266 and name HD1%)
( segid " " and resid 266 and name HG2%)
2.200 0.600 0.600 peak 10410 spectrum 1 weight 0.10000E+01 volume 0.94686E-02 ppm1 0.563 ppm2 0.892 CV 1
OR {10410}
( segid " " and resid 266 and name HD1%)
( segid " " and resid 245 and name HG2%)
ASSI {10430}
( segid " " and resid 256 and name HG2%)
(( segid " " and resid 226 and name HB3 ))
3.600 1.600 1.600 peak 10430 spectrum 1 weight 0.10000E+01 volume 0.19918E-02 ppm1 0.513 ppm2 3.199 CV 1
OR {10430}
( segid " " and resid 256 and name HG2%)
(( segid " " and resid 257 and name HB3 ))
ASSI {10435}
( segid " " and resid 256 and name HG2%)
(( segid " " and resid 267 and name HB3 ))
3.800 1.900 1.900 peak 10435 spectrum 1 weight 0.10000E+01 volume 0.21198E-02 ppm1 0.512 ppm2 1.833 CV 1
OR {10435}
( segid " " and resid 256 and name HG2%)
(( segid " " and resid 265 and name HB ))
ASSI {10478}
( segid " " and resid 207 and name HB% )
(( segid " " and resid 209 and name HB3 ))
4.300 2.300 1.700 peak 10478 spectrum 1 weight 0.10000E+01 volume 0.50366E-03 ppm1 -0.355 ppm2 3.199 CV 1
OR {10478}
( segid " " and resid 207 and name HB% )
(( segid " " and resid 13 and name HD3 ))
ASSI {10482}
( segid " " and resid 207 and name HB% )
(( segid " " and resid 260 and name HB2 ))
3.900 1.900 1.900 peak 10482 spectrum 1 weight 0.10000E+01 volume 0.13701E-02 ppm1 -0.356 ppm2 1.708 CV 1
OR {10482}
( segid " " and resid 207 and name HB% )
(( segid " " and resid 210 and name HB3 ))
OR {10482}
( segid " " and resid 207 and name HB% )
(( segid " " and resid 206 and name HB3 ))
ASSI {10483}
( segid " " and resid 207 and name HB% )
(( segid " " and resid 210 and name HB2 ))
4.000 2.000 2.000 peak 10483 spectrum 1 weight 0.10000E+01 volume 0.90100E-03 ppm1 -0.357 ppm2 1.368 CV 1
OR {10483}
( segid " " and resid 207 and name HB% )
(( segid " " and resid 206 and name HB2 ))
ASSI {10539}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 204 and name HA ))
2.600 2.600 3.400 peak 10539 spectrum 1 weight 0.10000E+01 volume 0.13544E-02 ppm1 0.941 ppm2 5.317 CV 1
OR {10539}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 196 and name HA ))
ASSI {10540}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 194 and name HZ3 ))
3.800 1.800 1.800 peak 10540 spectrum 1 weight 0.10000E+01 volume 0.97508E-03 ppm1 0.942 ppm2 5.241 CV 1
OR {10540}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 163 and name HA ))
ASSI {10543}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 185 and name HA ))
3.100 3.100 2.900 peak 10543 spectrum 1 weight 0.10000E+01 volume 0.59153E-03 ppm1 0.941 ppm2 4.229 CV 1
OR {10543}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 209 and name HA ))
ASSI {10549}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 198 and name HB2 ))
2.700 2.700 3.300 peak 10549 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 0.941 ppm2 1.904 CV 1
OR {10549}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 186 and name HB ))
OR {10549}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 211 and name HB2 ))
ASSI {10550}
( segid " " and resid 205 and name HD1%)
(( segid " " and resid 205 and name HB ))
2.300 0.700 0.700 peak 10550 spectrum 1 weight 0.10000E+01 volume 0.79074E-02 ppm1 0.940 ppm2 1.686 CV 1
OR {10550}
( segid " " and resid 205 and name HD1%)
( segid " " and resid 175 and name HE% )
ASSI {10725}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 17 and name HA ))
2.900 2.900 3.100 peak 10725 spectrum 1 weight 0.10000E+01 volume 0.59416E-02 ppm1 0.669 ppm2 4.253 CV 1
OR {10725}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 16 and name HA ))
ASSI {10726}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 19 and name HA ))
3.000 3.000 3.000 peak 10726 spectrum 1 weight 0.10000E+01 volume 0.88730E-03 ppm1 0.669 ppm2 4.009 CV 1
OR {10726}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 208 and name HA ))
ASSI {10727}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 208 and name HB2 ))
4.100 2.100 1.900 peak 10727 spectrum 1 weight 0.10000E+01 volume 0.56856E-03 ppm1 0.672 ppm2 3.792 CV 1
OR {10727}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 179 and name HB ))
ASSI {10728}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 17 and name HD3 ))
3.400 1.400 1.400 peak 10728 spectrum 1 weight 0.10000E+01 volume 0.15869E-02 ppm1 0.670 ppm2 3.201 CV 1
OR {10728}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 209 and name HB3 ))
ASSI {10730}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 19 and name HG3 ))
3.200 1.300 1.300 peak 10730 spectrum 1 weight 0.10000E+01 volume 0.11416E-02 ppm1 0.668 ppm2 2.383 CV 1
OR {10730}
( segid " " and resid 164 and name HD1%)
(( segid " " and resid 211 and name HG3 ))
ASSI {10944}
( segid " " and resid 256 and name HD1%)
(( segid " " and resid 226 and name HA ))
3.000 1.100 1.100 peak 10944 spectrum 1 weight 0.10000E+01 volume 0.29677E-02 ppm1 0.653 ppm2 4.088 CV 1
OR {10944}
( segid " " and resid 256 and name HD1%)
(( segid " " and resid 255 and name HA ))
ASSI {10949}
( segid " " and resid 256 and name HD1%)
(( segid " " and resid 226 and name HB2 ))
3.200 3.200 2.800 peak 10949 spectrum 1 weight 0.10000E+01 volume 0.56037E-03 ppm1 0.651 ppm2 2.751 CV 1
OR {10949}
( segid " " and resid 256 and name HD1%)
(( segid " " and resid 231 and name HB3 ))
OR {10949}
( segid " " and resid 256 and name HD1%)
(( segid " " and resid 231 and name HB2 ))
ASSI {10950}
( segid " " and resid 256 and name HD1%)
(( segid " " and resid 257 and name HB2 ))
3.000 3.000 3.000 peak 10950 spectrum 1 weight 0.10000E+01 volume 0.58240E-03 ppm1 0.651 ppm2 2.484 CV 1
OR {10950}
( segid " " and resid 256 and name HD1%)
(( segid " " and resid 258 and name HE3 ))
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