NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
23239 |
2jug   |
15442 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 32 and name HN ))
3.300 1.400 1.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.17914E-02 ppm1 1.490 ppm2 9.123 CV 1
ASSI { 15}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 30 and name HB2 ))
2.300 0.700 0.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11066E-01 ppm1 6.745 ppm2 2.796 CV 1
OR { 15}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 30 and name HB3 ))
ASSI { 24}
( segid "A " and resid 30 and name HD% )
( segid "A " and resid 30 and name HE% )
2.200 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.11438E-01 ppm1 6.744 ppm2 7.229 CV 1
ASSI { 34}
( segid "A " and resid 53 and name HD1%)
(( segid "A " and resid 53 and name HN ))
3.100 1.200 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.86395E-02 ppm1 0.796 ppm2 8.527 CV 1
ASSI { 41}
( segid "A " and resid 53 and name HD1%)
(( segid "A " and resid 53 and name HA ))
3.600 1.600 1.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.60863E-02 ppm1 0.796 ppm2 3.504 CV 1
ASSI { 43}
( segid "A " and resid 53 and name HD1%)
(( segid "A " and resid 53 and name HG12))
1.900 0.500 0.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.36105E-01 ppm1 0.796 ppm2 1.886 CV 1
ASSI { 45}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 53 and name HG12))
2.000 0.500 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.29243E-01 ppm1 0.885 ppm2 1.891 CV 1
ASSI { 47}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 53 and name HA ))
2.500 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.91519E-02 ppm1 0.885 ppm2 3.503 CV 1
ASSI { 52}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 53 and name HN ))
3.600 1.600 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.51158E-02 ppm1 0.885 ppm2 8.543 CV 1
ASSI { 56}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HB3 ))
2.700 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.44219E-02 ppm1 1.099 ppm2 -0.464 CV 1
OR { 56}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HB3 ))
OR { 56}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HB2 ))
OR { 56}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HB2 ))
ASSI { 62}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HN ))
3.000 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.20363E-02 ppm1 0.252 ppm2 8.708 CV 1
OR { 62}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HN ))
ASSI { 65}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HA ))
2.900 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.31248E-02 ppm1 0.253 ppm2 4.346 CV 1
OR { 65}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HA ))
ASSI { 67}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 22 and name HH2 ))
2.400 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11596E-01 ppm1 7.268 ppm2 6.908 CV 1
ASSI { 68}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 22 and name HE1 ))
2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.54287E-02 ppm1 7.269 ppm2 10.655 CV 1
ASSI { 70}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 22 and name HZ3 ))
2.100 0.600 0.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.21175E-01 ppm1 6.904 ppm2 6.743 CV 1
ASSI { 71}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 22 and name HE3 ))
2.500 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.75103E-02 ppm1 6.740 ppm2 7.091 CV 1
ASSI { 76}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 22 and name HN ))
3.000 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.31294E-02 ppm1 7.089 ppm2 8.592 CV 1
ASSI { 83}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 22 and name HB3 ))
2.900 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.34241E-02 ppm1 7.088 ppm2 3.426 CV 1
OR { 83}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 22 and name HB2 ))
ASSI { 89}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 22 and name HA ))
4.100 2.100 1.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.11701E-02 ppm1 7.088 ppm2 4.903 CV 1
ASSI { 93}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 22 and name HE1 ))
2.500 0.800 0.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.10282E-01 ppm1 6.975 ppm2 10.655 CV 1
ASSI { 118}
(( segid "A " and resid 30 and name HZ ))
( segid "A " and resid 30 and name HD% )
3.800 1.800 1.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.20726E-02 ppm1 7.278 ppm2 6.751 CV 1
ASSI { 125}
(( segid "A " and resid 13 and name HE1 ))
(( segid "A " and resid 13 and name HN ))
4.400 2.500 1.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.88893E-03 ppm1 6.587 ppm2 8.357 CV 1
ASSI { 127}
(( segid "A " and resid 13 and name HE1 ))
(( segid "A " and resid 13 and name HB2 ))
3.200 1.300 1.300 peak 127 spectrum 1 weight 0.10000E+01 volume 0.51248E-02 ppm1 6.588 ppm2 3.310 CV 1
OR { 127}
(( segid "A " and resid 13 and name HE1 ))
(( segid "A " and resid 13 and name HB3 ))
ASSI { 145}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HN ))
3.100 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.18821E-02 ppm1 5.851 ppm2 7.371 CV 1
ASSI { 147}
(( segid "A " and resid 30 and name HA ))
( segid "A " and resid 30 and name HD% )
2.900 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.45171E-02 ppm1 5.852 ppm2 6.746 CV 1
ASSI { 150}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HB2 ))
2.200 0.600 0.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.15302E-01 ppm1 5.852 ppm2 2.798 CV 1
OR { 150}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 161}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 21 and name HN ))
3.000 1.200 1.200 peak 161 spectrum 1 weight 0.10000E+01 volume 0.21633E-02 ppm1 5.584 ppm2 8.070 CV 1
ASSI { 166}
(( segid "A " and resid 21 and name HA ))
( segid "A " and resid 21 and name HD2%)
2.800 1.000 1.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12790E-01 ppm1 5.585 ppm2 0.858 CV 1
OR { 166}
(( segid "A " and resid 21 and name HA ))
( segid "A " and resid 21 and name HD1%)
ASSI { 168}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HB3 ))
2.600 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.64401E-02 ppm1 5.066 ppm2 2.035 CV 1
OR { 168}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HB2 ))
ASSI { 170}
(( segid "A " and resid 48 and name HA ))
( segid "A " and resid 48 and name HB% )
2.000 0.500 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.31053E-01 ppm1 4.943 ppm2 1.395 CV 1
ASSI { 180}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HN ))
2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.11950E-01 ppm1 4.943 ppm2 7.288 CV 1
ASSI { 181}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HB2 ))
2.300 0.700 0.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.13211E-01 ppm1 4.899 ppm2 3.420 CV 1
OR { 181}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HB3 ))
ASSI { 188}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HD1 ))
3.900 1.900 1.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.27665E-02 ppm1 4.899 ppm2 6.999 CV 1
ASSI { 190}
(( segid "A " and resid 32 and name HA ))
( segid "A " and resid 32 and name HB% )
2.200 0.600 0.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.14540E-01 ppm1 5.217 ppm2 1.490 CV 1
ASSI { 200}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 19 and name HN ))
2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.41226E-02 ppm1 4.247 ppm2 7.841 CV 1
ASSI { 203}
(( segid "A " and resid 19 and name HA ))
( segid "A " and resid 19 and name HG1%)
2.100 0.500 0.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.20871E-01 ppm1 4.247 ppm2 0.865 CV 1
OR { 203}
(( segid "A " and resid 19 and name HA ))
( segid "A " and resid 19 and name HG2%)
ASSI { 206}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HD2 ))
3.700 1.700 1.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.12472E-02 ppm1 4.886 ppm2 3.241 CV 1
ASSI { 207}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HB3 ))
2.400 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10390E-01 ppm1 4.885 ppm2 2.635 CV 1
OR { 207}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HB2 ))
ASSI { 208}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HD3 ))
2.400 2.400 3.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.14630E-01 ppm1 4.885 ppm2 3.951 CV 1
ASSI { 211}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HG3 ))
2.800 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.10254E-01 ppm1 4.885 ppm2 2.179 CV 1
OR { 211}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 214}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HD3 ))
3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.28572E-02 ppm1 4.402 ppm2 3.736 CV 1
ASSI { 215}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HB3 ))
2.400 0.700 0.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.10078E-01 ppm1 4.389 ppm2 2.387 CV 1
OR { 215}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HB2 ))
ASSI { 216}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HG3 ))
3.200 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.69707E-02 ppm1 4.390 ppm2 2.135 CV 1
OR { 216}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 34 and name HG2 ))
ASSI { 223}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 50 and name HB3 ))
2.200 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.17293E-01 ppm1 4.316 ppm2 3.190 CV 1
OR { 223}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 50 and name HB2 ))
ASSI { 227}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 50 and name HN ))
2.600 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.49162E-02 ppm1 4.316 ppm2 8.542 CV 1
ASSI { 233}
(( segid "A " and resid 50 and name HB2 ))
(( segid "A " and resid 50 and name HE1 ))
3.600 1.600 1.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.37416E-02 ppm1 3.190 ppm2 7.222 CV 1
OR { 233}
(( segid "A " and resid 50 and name HB3 ))
(( segid "A " and resid 50 and name HE1 ))
ASSI { 234}
(( segid "A " and resid 50 and name HB3 ))
(( segid "A " and resid 50 and name HN ))
2.800 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.48074E-02 ppm1 3.189 ppm2 8.545 CV 1
OR { 234}
(( segid "A " and resid 50 and name HB2 ))
(( segid "A " and resid 50 and name HN ))
ASSI { 243}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 22 and name HD1 ))
2.700 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.63720E-02 ppm1 3.421 ppm2 7.013 CV 1
OR { 243}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 22 and name HD1 ))
ASSI { 254}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HN ))
3.100 1.200 1.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 4.239 ppm2 8.806 CV 1
ASSI { 257}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HG3 ))
2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.16086E-01 ppm1 4.238 ppm2 2.307 CV 1
OR { 257}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HG2 ))
ASSI { 258}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HB2 ))
2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.84537E-02 ppm1 4.237 ppm2 1.917 CV 1
OR { 258}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HB3 ))
ASSI { 267}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
2.200 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.19316E-01 ppm1 3.899 ppm2 1.695 CV 1
OR { 267}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HB3 ))
ASSI { 269}
(( segid "A " and resid 11 and name HA ))
( segid "A " and resid 11 and name HD2%)
2.000 0.500 0.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.34876E-01 ppm1 3.899 ppm2 0.909 CV 1
ASSI { 271}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 45 and name HN ))
2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.62359E-02 ppm1 3.860 ppm2 8.416 CV 1
ASSI { 274}
(( segid "A " and resid 45 and name HA ))
( segid "A " and resid 45 and name HD2%)
2.300 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.13035E-01 ppm1 3.858 ppm2 0.623 CV 1
ASSI { 275}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 45 and name HB3 ))
2.200 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.17166E-01 ppm1 3.862 ppm2 1.737 CV 1
OR { 275}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 45 and name HB2 ))
ASSI { 277}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 36 and name HN ))
2.600 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.63720E-02 ppm1 3.932 ppm2 7.430 CV 1
ASSI { 280}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 36 and name HB ))
2.600 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.68663E-02 ppm1 3.932 ppm2 1.980 CV 1
ASSI { 283}
(( segid "A " and resid 36 and name HA ))
( segid "A " and resid 36 and name HG1%)
1.800 0.400 0.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.74550E-01 ppm1 3.932 ppm2 0.962 CV 1
ASSI { 285}
(( segid "A " and resid 38 and name HB ))
( segid "A " and resid 38 and name HG2%)
2.800 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.38595E-02 ppm1 4.767 ppm2 1.375 CV 1
ASSI { 287}
(( segid "A " and resid 21 and name HG ))
(( segid "A " and resid 21 and name HA ))
2.600 0.800 0.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.38323E-02 ppm1 1.690 ppm2 5.588 CV 1
ASSI { 290}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 21 and name HA ))
2.100 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17701E-01 ppm1 1.603 ppm2 5.586 CV 1
OR { 290}
(( segid "A " and resid 21 and name HB2 ))
(( segid "A " and resid 21 and name HA ))
ASSI { 292}
(( segid "A " and resid 21 and name HB3 ))
( segid "A " and resid 21 and name HD2%)
2.100 0.600 0.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.19116E-01 ppm1 1.508 ppm2 0.849 CV 1
OR { 292}
(( segid "A " and resid 21 and name HB2 ))
( segid "A " and resid 21 and name HD1%)
OR { 292}
(( segid "A " and resid 21 and name HB2 ))
( segid "A " and resid 21 and name HD2%)
ASSI { 294}
(( segid "A " and resid 21 and name HB2 ))
(( segid "A " and resid 21 and name HN ))
2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.49071E-02 ppm1 1.602 ppm2 8.064 CV 1
OR { 294}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 21 and name HN ))
ASSI { 298}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 21 and name HA ))
2.900 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.75875E-02 ppm1 0.862 ppm2 5.586 CV 1
ASSI { 304}
( segid "A " and resid 21 and name HD2%)
(( segid "A " and resid 21 and name HN ))
3.800 1.800 1.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.36237E-02 ppm1 0.856 ppm2 8.075 CV 1
ASSI { 305}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 10 and name HN ))
4.100 2.100 1.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.28073E-02 ppm1 0.809 ppm2 7.947 CV 1
ASSI { 306}
( segid "A " and resid 41 and name HD2%)
(( segid "A " and resid 41 and name HN ))
3.900 1.900 1.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.26804E-02 ppm1 0.922 ppm2 7.846 CV 1
ASSI { 314}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HD3 ))
3.300 1.300 1.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.23221E-02 ppm1 0.251 ppm2 2.862 CV 1
OR { 314}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 29 and name HD2 ))
OR { 314}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HD3 ))
OR { 314}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 29 and name HD2 ))
ASSI { 327}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HD3 ))
2.600 0.900 0.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.53199E-02 ppm1 1.099 ppm2 2.873 CV 1
OR { 327}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HD2 ))
OR { 327}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HD3 ))
OR { 327}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HD2 ))
ASSI { 336}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HA ))
3.500 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.36237E-02 ppm1 2.894 ppm2 4.353 CV 1
ASSI { 337}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 29 and name HA ))
2.600 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.40363E-02 ppm1 2.844 ppm2 4.353 CV 1
ASSI { 344}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HG2 ))
2.400 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.82451E-02 ppm1 2.894 ppm2 0.968 CV 1
OR { 344}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HG3 ))
ASSI { 345}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 29 and name HG3 ))
2.500 0.800 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.83948E-02 ppm1 2.846 ppm2 0.971 CV 1
OR { 345}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 29 and name HG2 ))
ASSI { 346}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HB2 ))
3.100 1.200 1.200 peak 346 spectrum 1 weight 0.10000E+01 volume 0.24128E-02 ppm1 2.895 ppm2 0.257 CV 1
OR { 346}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 347}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 29 and name HB2 ))
3.400 1.400 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.26214E-02 ppm1 2.844 ppm2 0.255 CV 1
OR { 347}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 355}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 29 and name HN ))
3.500 1.500 1.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.10386E-02 ppm1 2.892 ppm2 8.690 CV 1
ASSI { 356}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 29 and name HN ))
3.400 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11973E-02 ppm1 2.845 ppm2 8.696 CV 1
ASSI { 359}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HD2 ))
3.100 1.200 1.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 4.332 ppm2 2.865 CV 1
OR { 359}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HD3 ))
ASSI { 360}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 29 and name HN ))
3.700 1.700 1.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.65761E-03 ppm1 4.336 ppm2 8.719 CV 1
ASSI { 362}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 45 and name HB2 ))
2.200 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.17402E-01 ppm1 0.403 ppm2 1.749 CV 1
OR { 362}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 45 and name HB3 ))
ASSI { 369}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 45 and name HA ))
4.000 2.000 2.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.24808E-02 ppm1 0.403 ppm2 3.863 CV 1
ASSI { 374}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 45 and name HN ))
3.600 1.700 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.25669E-02 ppm1 0.403 ppm2 8.420 CV 1
ASSI { 377}
( segid "A " and resid 45 and name HD1%)
( segid "A " and resid 45 and name HD2%)
2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.83948E-02 ppm1 0.403 ppm2 0.637 CV 1
ASSI { 380}
( segid "A " and resid 45 and name HD2%)
(( segid "A " and resid 45 and name HB3 ))
2.200 0.600 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.23334E-01 ppm1 0.622 ppm2 1.756 CV 1
OR { 380}
( segid "A " and resid 45 and name HD2%)
(( segid "A " and resid 45 and name HB2 ))
ASSI { 389}
( segid "A " and resid 45 and name HD2%)
(( segid "A " and resid 45 and name HN ))
3.500 1.500 1.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.38912E-02 ppm1 0.622 ppm2 8.417 CV 1
ASSI { 394}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 22 and name HN ))
4.900 3.000 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.42178E-03 ppm1 6.739 ppm2 8.611 CV 1
ASSI { 396}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 22 and name HB3 ))
3.900 1.900 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28572E-03 ppm1 6.742 ppm2 3.443 CV 1
ASSI { 401}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 17 and name HA ))
3.900 1.900 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.39457E-02 ppm1 0.631 ppm2 4.356 CV 1
ASSI { 408}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 17 and name HB2 ))
2.400 0.700 0.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.11801E-01 ppm1 0.631 ppm2 1.748 CV 1
OR { 408}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 17 and name HB3 ))
ASSI { 409}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 17 and name HG ))
2.000 0.500 0.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.26549E-01 ppm1 0.631 ppm2 1.554 CV 1
ASSI { 411}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 17 and name HN ))
3.700 1.700 1.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.37325E-02 ppm1 0.630 ppm2 7.318 CV 1
ASSI { 416}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 17 and name HG ))
2.100 0.500 0.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.21996E-01 ppm1 0.803 ppm2 1.561 CV 1
ASSI { 420}
( segid "A " and resid 17 and name HD2%)
( segid "A " and resid 17 and name HD1%)
3.000 1.100 1.100 peak 420 spectrum 1 weight 0.10000E+01 volume 0.38595E-02 ppm1 0.803 ppm2 0.585 CV 1
ASSI { 423}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 17 and name HN ))
3.600 1.600 1.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.35285E-02 ppm1 0.803 ppm2 7.318 CV 1
ASSI { 429}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HA ))
3.000 1.100 1.100 peak 429 spectrum 1 weight 0.10000E+01 volume 0.34967E-02 ppm1 0.959 ppm2 4.363 CV 1
OR { 429}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HA ))
ASSI { 431}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 29 and name HN ))
3.200 1.300 1.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.46985E-02 ppm1 0.957 ppm2 8.693 CV 1
OR { 431}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 29 and name HN ))
ASSI { 453}
(( segid "A " and resid 33 and name HD3 ))
(( segid "A " and resid 33 and name HD2 ))
1.700 0.400 0.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.14871E-01 ppm1 3.989 ppm2 3.250 CV 1
ASSI { 456}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 33 and name HG2 ))
2.300 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.89884E-02 ppm1 3.248 ppm2 2.261 CV 1
OR { 456}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 33 and name HG3 ))
ASSI { 466}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 33 and name HD3 ))
3.300 1.300 1.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.53516E-02 ppm1 2.633 ppm2 3.961 CV 1
OR { 466}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 33 and name HD3 ))
ASSI { 468}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 33 and name HD2 ))
3.500 1.500 1.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.18640E-02 ppm1 2.634 ppm2 3.248 CV 1
OR { 468}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 33 and name HD2 ))
ASSI { 473}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 33 and name HG2 ))
2.200 0.600 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.14408E-01 ppm1 2.633 ppm2 2.201 CV 1
OR { 473}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 33 and name HG3 ))
OR { 473}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 33 and name HG3 ))
OR { 473}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 484}
(( segid "A " and resid 33 and name HG3 ))
(( segid "A " and resid 33 and name HD3 ))
2.000 0.500 0.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18993E-01 ppm1 2.281 ppm2 3.971 CV 1
OR { 484}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 33 and name HD3 ))
ASSI { 516}
(( segid "A " and resid 34 and name HD3 ))
(( segid "A " and resid 34 and name HG3 ))
2.300 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.13710E-01 ppm1 3.700 ppm2 2.234 CV 1
OR { 516}
(( segid "A " and resid 34 and name HD3 ))
(( segid "A " and resid 34 and name HG2 ))
ASSI { 517}
(( segid "A " and resid 34 and name HD3 ))
(( segid "A " and resid 34 and name HB3 ))
2.400 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.18431E-01 ppm1 3.695 ppm2 1.957 CV 1
OR { 517}
(( segid "A " and resid 34 and name HD3 ))
(( segid "A " and resid 34 and name HB2 ))
ASSI { 518}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 34 and name HG2 ))
2.100 0.500 0.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.22495E-01 ppm1 3.936 ppm2 2.236 CV 1
OR { 518}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 34 and name HG3 ))
ASSI { 534}
( segid "A " and resid 36 and name HG1%)
(( segid "A " and resid 36 and name HN ))
2.500 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.99642E-02 ppm1 0.990 ppm2 7.430 CV 1
ASSI { 535}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HB2 ))
2.500 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.72292E-02 ppm1 4.635 ppm2 2.200 CV 1
OR { 535}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HB3 ))
ASSI { 537}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HG3 ))
3.200 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.21225E-02 ppm1 4.637 ppm2 2.512 CV 1
OR { 537}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HG2 ))
ASSI { 538}
(( segid "A " and resid 37 and name HA ))
( segid "A " and resid 37 and name HE% )
2.900 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.27438E-02 ppm1 4.632 ppm2 1.281 CV 1
ASSI { 543}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 37 and name HN ))
2.800 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.31475E-02 ppm1 4.633 ppm2 8.643 CV 1
ASSI { 547}
(( segid "A " and resid 38 and name HB ))
(( segid "A " and resid 38 and name HN ))
4.700 2.700 1.300 peak 547 spectrum 1 weight 0.10000E+01 volume 0.44445E-03 ppm1 4.765 ppm2 7.320 CV 1
ASSI { 548}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 38 and name HN ))
3.600 1.700 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.83449E-03 ppm1 4.756 ppm2 7.319 CV 1
ASSI { 554}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 38 and name HN ))
2.600 0.800 0.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.76010E-02 ppm1 1.372 ppm2 7.323 CV 1
ASSI { 555}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 38 and name HA ))
2.200 0.600 0.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.22295E-01 ppm1 1.372 ppm2 4.747 CV 1
ASSI { 563}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 39 and name HA ))
2.300 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.25080E-01 ppm1 2.054 ppm2 4.297 CV 1
OR { 563}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 39 and name HA ))
ASSI { 566}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 39 and name HA ))
2.300 0.700 0.700 peak 566 spectrum 1 weight 0.10000E+01 volume 0.13324E-01 ppm1 2.418 ppm2 4.294 CV 1
OR { 566}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 39 and name HA ))
ASSI { 574}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 39 and name HD3 ))
3.500 1.500 1.500 peak 574 spectrum 1 weight 0.10000E+01 volume 0.19411E-02 ppm1 4.287 ppm2 3.933 CV 1
OR { 574}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 39 and name HD2 ))
ASSI { 581}
( segid "A " and resid 23 and name HG2%)
(( segid "A " and resid 23 and name HA ))
2.500 0.800 0.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.95653E-02 ppm1 0.858 ppm2 4.721 CV 1
ASSI { 582}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 43 and name HN ))
2.200 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.17121E-01 ppm1 4.023 ppm2 8.251 CV 1
OR { 582}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 43 and name HN ))
ASSI { 592}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HN ))
2.300 0.700 0.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.15755E-01 ppm1 4.284 ppm2 8.253 CV 1
ASSI { 599}
( segid "A " and resid 48 and name HB% )
(( segid "A " and resid 48 and name HN ))
2.300 0.700 0.700 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16005E-01 ppm1 1.393 ppm2 7.306 CV 1
ASSI { 602}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name HN ))
4.000 2.000 2.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 3.309 ppm2 7.205 CV 1
OR { 602}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HN ))
ASSI { 604}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 52 and name HB3 ))
2.600 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.56509E-02 ppm1 4.043 ppm2 1.209 CV 1
OR { 604}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 52 and name HB2 ))
ASSI { 610}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 52 and name HN ))
2.300 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.11230E-01 ppm1 4.032 ppm2 8.661 CV 1
ASSI { 614}
( segid "A " and resid 52 and name HD1%)
(( segid "A " and resid 52 and name HN ))
3.500 1.500 1.500 peak 614 spectrum 1 weight 0.10000E+01 volume 0.53380E-02 ppm1 0.856 ppm2 8.652 CV 1
ASSI { 615}
( segid "A " and resid 10 and name HD1%)
(( segid "A " and resid 10 and name HN ))
3.800 1.800 1.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.37870E-02 ppm1 0.852 ppm2 7.944 CV 1
ASSI { 619}
( segid "A " and resid 52 and name HD2%)
(( segid "A " and resid 52 and name HN ))
3.300 1.400 1.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.61906E-02 ppm1 0.864 ppm2 8.645 CV 1
ASSI { 620}
( segid "A " and resid 52 and name HD2%)
(( segid "A " and resid 52 and name HA ))
2.700 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.43901E-02 ppm1 0.864 ppm2 4.051 CV 1
ASSI { 629}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 53 and name HN ))
2.600 0.900 0.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.63403E-02 ppm1 3.501 ppm2 8.551 CV 1
ASSI { 632}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 10 and name HN ))
2.600 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.69798E-02 ppm1 4.187 ppm2 7.936 CV 1
ASSI { 636}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
1.900 0.400 0.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.41148E-01 ppm1 4.183 ppm2 1.749 CV 1
OR { 636}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 10 and name HB3 ))
ASSI { 639}
( segid "A " and resid 9 and name HB% )
(( segid "A " and resid 9 and name HA ))
1.600 0.300 0.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.16219E+00 ppm1 1.495 ppm2 4.198 CV 1
ASSI { 640}
( segid "A " and resid 54 and name HB% )
(( segid "A " and resid 54 and name HN ))
2.200 0.600 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.21434E-01 ppm1 1.502 ppm2 7.354 CV 1
ASSI { 641}
( segid "A " and resid 9 and name HB% )
(( segid "A " and resid 9 and name HN ))
2.200 0.600 0.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.23252E-01 ppm1 1.495 ppm2 7.763 CV 1
ASSI { 643}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HN ))
2.400 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.11143E-01 ppm1 4.101 ppm2 8.328 CV 1
ASSI { 647}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HN ))
2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.94331E-02 ppm1 2.178 ppm2 8.646 CV 1
OR { 647}
(( segid "A " and resid 37 and name HB3 ))
(( segid "A " and resid 37 and name HN ))
ASSI { 648}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HE22))
3.600 1.600 1.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.37597E-02 ppm1 1.989 ppm2 7.497 CV 1
OR { 648}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HE22))
ASSI { 649}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 60 and name HA ))
2.700 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.50115E-02 ppm1 1.990 ppm2 4.701 CV 1
OR { 649}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 60 and name HA ))
ASSI { 651}
(( segid "A " and resid 64 and name HG3 ))
(( segid "A " and resid 64 and name HE22))
4.700 2.700 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.75739E-03 ppm1 2.372 ppm2 7.499 CV 1
OR { 651}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HE22))
ASSI { 652}
(( segid "A " and resid 64 and name HG3 ))
(( segid "A " and resid 64 and name HE21))
3.800 1.800 1.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.62133E-03 ppm1 2.371 ppm2 6.841 CV 1
OR { 652}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 64 and name HE21))
ASSI { 653}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 60 and name HE22))
4.800 2.800 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.64854E-03 ppm1 1.990 ppm2 6.948 CV 1
OR { 653}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 60 and name HE22))
ASSI { 656}
(( segid "A " and resid 51 and name HB3 ))
(( segid "A " and resid 51 and name HN ))
2.800 1.000 1.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.35647E-02 ppm1 2.023 ppm2 8.244 CV 1
OR { 656}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 51 and name HN ))
ASSI { 657}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HG3 ))
3.000 1.100 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.56418E-02 ppm1 4.401 ppm2 2.376 CV 1
OR { 657}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HG2 ))
ASSI { 658}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HB3 ))
2.600 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.69480E-02 ppm1 4.402 ppm2 2.187 CV 1
OR { 658}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HB2 ))
ASSI { 662}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 67 and name HB2 ))
2.700 0.900 0.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.68754E-02 ppm1 4.531 ppm2 3.759 CV 1
OR { 662}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 67 and name HB3 ))
ASSI { 672}
( segid "A " and resid 70 and name HB% )
(( segid "A " and resid 70 and name HN ))
2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.75829E-02 ppm1 1.367 ppm2 8.161 CV 1
ASSI { 673}
( segid "A " and resid 70 and name HB% )
(( segid "A " and resid 70 and name HA ))
2.300 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.12586E-01 ppm1 1.366 ppm2 4.605 CV 1
ASSI { 677}
(( segid "A " and resid 41 and name HB2 ))
( segid "A " and resid 41 and name HD1%)
2.200 0.600 0.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.15810E-01 ppm1 1.625 ppm2 0.945 CV 1
OR { 677}
(( segid "A " and resid 41 and name HB3 ))
( segid "A " and resid 41 and name HD2%)
OR { 677}
(( segid "A " and resid 41 and name HB3 ))
( segid "A " and resid 41 and name HD1%)
ASSI { 687}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 41 and name HN ))
2.600 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.47575E-02 ppm1 1.980 ppm2 7.842 CV 1
OR { 687}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 41 and name HN ))
ASSI { 691}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 41 and name HG ))
2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.85311E-02 ppm1 1.979 ppm2 1.469 CV 1
OR { 691}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 41 and name HG ))
ASSI { 696}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 52 and name HG ))
2.400 0.700 0.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.10254E-01 ppm1 1.205 ppm2 1.818 CV 1
OR { 696}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 52 and name HG ))
ASSI { 697}
(( segid "A " and resid 52 and name HB3 ))
( segid "A " and resid 52 and name HD1%)
2.200 0.600 0.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.21202E-01 ppm1 1.205 ppm2 0.851 CV 1
OR { 697}
(( segid "A " and resid 52 and name HB2 ))
( segid "A " and resid 52 and name HD1%)
ASSI { 709}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 52 and name HN ))
2.400 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.79458E-02 ppm1 1.994 ppm2 8.638 CV 1
OR { 709}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 52 and name HN ))
ASSI { 717}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HN ))
3.700 1.700 1.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.19274E-02 ppm1 1.263 ppm2 8.640 CV 1
ASSI { 727}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HB2 ))
2.600 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.79094E-02 ppm1 1.262 ppm2 1.635 CV 1
OR { 727}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HB3 ))
ASSI { 730}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HG3 ))
2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.98820E-02 ppm1 1.262 ppm2 2.218 CV 1
OR { 730}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 37 and name HG2 ))
ASSI { 741}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name HG3 ))
2.400 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.15034E-01 ppm1 3.633 ppm2 2.230 CV 1
OR { 741}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name HG2 ))
ASSI { 742}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name HB2 ))
2.200 0.600 0.600 peak 742 spectrum 1 weight 0.10000E+01 volume 0.18649E-01 ppm1 3.633 ppm2 2.079 CV 1
OR { 742}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 750}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name HE22))
3.900 1.900 1.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 3.632 ppm2 7.264 CV 1
ASSI { 751}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name HN ))
2.700 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.52791E-02 ppm1 3.633 ppm2 8.626 CV 1
ASSI { 755}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 42 and name HE22))
3.900 1.900 1.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.20137E-02 ppm1 2.072 ppm2 7.273 CV 1
OR { 755}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HE22))
ASSI { 756}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 42 and name HE21))
4.200 2.200 1.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.64401E-03 ppm1 2.071 ppm2 6.791 CV 1
OR { 756}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HE21))
ASSI { 759}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 42 and name HN ))
2.300 0.700 0.700 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12073E-01 ppm1 2.072 ppm2 8.626 CV 1
OR { 759}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 42 and name HN ))
ASSI { 775}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 42 and name HE21))
3.200 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 2.272 ppm2 6.801 CV 1
OR { 775}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name HE21))
ASSI { 777}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 42 and name HE22))
3.600 1.600 1.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.37189E-02 ppm1 2.272 ppm2 7.265 CV 1
OR { 777}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name HE22))
ASSI { 779}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 42 and name HN ))
4.100 2.100 1.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.28164E-02 ppm1 2.273 ppm2 8.625 CV 1
OR { 779}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 42 and name HN ))
ASSI { 792}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 14 and name HN ))
2.600 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.63856E-02 ppm1 3.747 ppm2 8.823 CV 1
ASSI { 803}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 14 and name HN ))
2.300 0.600 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.15416E-01 ppm1 1.407 ppm2 8.824 CV 1
ASSI { 805}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 14 and name HA ))
2.200 0.600 0.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.20205E-01 ppm1 1.408 ppm2 3.750 CV 1
ASSI { 814}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HE21))
4.300 2.300 1.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.13107E-02 ppm1 4.318 ppm2 7.173 CV 1
ASSI { 833}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 22 and name HB2 ))
4.500 2.500 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.26305E-03 ppm1 6.905 ppm2 3.249 CV 1
OR { 833}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 22 and name HB3 ))
ASSI { 847}
(( segid "A " and resid 17 and name HG ))
(( segid "A " and resid 17 and name HN ))
2.500 0.800 0.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.55602E-02 ppm1 1.534 ppm2 7.319 CV 1
ASSI { 848}
(( segid "A " and resid 8 and name HA2 ))
(( segid "A " and resid 8 and name HN ))
2.700 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.39411E-02 ppm1 3.788 ppm2 8.453 CV 1
ASSI { 849}
(( segid "A " and resid 8 and name HA1 ))
(( segid "A " and resid 8 and name HN ))
3.200 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.39502E-02 ppm1 3.554 ppm2 8.451 CV 1
ASSI { 852}
(( segid "A " and resid 8 and name HA1 ))
(( segid "A " and resid 8 and name HA2 ))
2.000 0.500 0.500 peak 852 spectrum 1 weight 0.10000E+01 volume 0.14254E-01 ppm1 3.557 ppm2 3.792 CV 1
ASSI { 857}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 54 and name HN ))
2.500 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.79593E-02 ppm1 4.056 ppm2 7.354 CV 1
ASSI { 859}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 55 and name HN ))
2.400 0.700 0.700 peak 859 spectrum 1 weight 0.10000E+01 volume 0.90935E-02 ppm1 4.151 ppm2 7.700 CV 1
ASSI { 866}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 12 and name HN ))
2.600 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.84265E-02 ppm1 4.090 ppm2 7.919 CV 1
ASSI { 870}
(( segid "A " and resid 12 and name HA ))
( segid "A " and resid 12 and name HB% )
1.600 0.300 0.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.16829E+00 ppm1 4.089 ppm2 1.528 CV 1
ASSI { 871}
( segid "A " and resid 12 and name HB% )
(( segid "A " and resid 12 and name HN ))
2.200 0.600 0.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.20064E-01 ppm1 1.535 ppm2 7.913 CV 1
ASSI { 874}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 28 and name HN ))
2.700 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.33652E-02 ppm1 4.489 ppm2 8.421 CV 1
ASSI { 876}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 28 and name HB2 ))
2.500 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.57688E-02 ppm1 4.486 ppm2 1.713 CV 1
OR { 876}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 28 and name HB3 ))
ASSI { 878}
(( segid "A " and resid 28 and name HA ))
( segid "A " and resid 28 and name HD2%)
2.300 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.18794E-01 ppm1 4.485 ppm2 0.818 CV 1
OR { 878}
(( segid "A " and resid 28 and name HA ))
( segid "A " and resid 28 and name HD1%)
ASSI { 880}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HN ))
2.600 0.900 0.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.71022E-02 ppm1 4.426 ppm2 8.358 CV 1
ASSI { 882}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HD2 ))
4.400 2.500 1.600 peak 882 spectrum 1 weight 0.10000E+01 volume 0.94789E-03 ppm1 4.425 ppm2 7.898 CV 1
ASSI { 892}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name HN ))
2.800 1.000 1.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.43674E-02 ppm1 4.102 ppm2 7.837 CV 1
ASSI { 897}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HN ))
3.100 1.200 1.200 peak 897 spectrum 1 weight 0.10000E+01 volume 0.24899E-02 ppm1 4.059 ppm2 8.468 CV 1
ASSI { 903}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HN ))
2.600 0.800 0.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.75648E-02 ppm1 4.150 ppm2 8.245 CV 1
ASSI { 908}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HN ))
2.500 0.800 0.800 peak 908 spectrum 1 weight 0.10000E+01 volume 0.70614E-02 ppm1 3.879 ppm2 7.206 CV 1
ASSI { 917}
(( segid "A " and resid 13 and name HB3 ))
(( segid "A " and resid 13 and name HN ))
2.400 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.91384E-02 ppm1 3.330 ppm2 8.358 CV 1
OR { 917}
(( segid "A " and resid 13 and name HB2 ))
(( segid "A " and resid 13 and name HN ))
ASSI { 932}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HB2 ))
2.300 0.600 0.600 peak 932 spectrum 1 weight 0.10000E+01 volume 0.15647E-01 ppm1 4.426 ppm2 3.295 CV 1
OR { 932}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 13 and name HB3 ))
ASSI { 941}
(( segid "A " and resid 16 and name HB2 ))
(( segid "A " and resid 16 and name HN ))
2.300 0.600 0.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.15316E-01 ppm1 4.115 ppm2 8.159 CV 1
OR { 941}
(( segid "A " and resid 16 and name HB3 ))
(( segid "A " and resid 16 and name HN ))
ASSI { 953}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 17 and name HA ))
2.600 0.800 0.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.64582E-02 ppm1 1.763 ppm2 4.357 CV 1
OR { 953}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 17 and name HA ))
ASSI { 954}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 17 and name HN ))
2.600 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.53062E-02 ppm1 1.763 ppm2 7.319 CV 1
OR { 954}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 17 and name HN ))
ASSI { 961}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HG3 ))
2.600 0.800 0.800 peak 961 spectrum 1 weight 0.10000E+01 volume 0.10644E-01 ppm1 4.060 ppm2 2.297 CV 1
OR { 961}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HG2 ))
ASSI { 963}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HB2 ))
2.200 0.600 0.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.19302E-01 ppm1 4.062 ppm2 1.929 CV 1
OR { 963}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 966}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name HB2 ))
2.200 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.14418E-01 ppm1 4.103 ppm2 1.631 CV 1
OR { 966}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name HB3 ))
ASSI { 967}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 41 and name HG ))
2.000 0.500 0.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.20626E-01 ppm1 4.098 ppm2 1.504 CV 1
ASSI { 970}
(( segid "A " and resid 44 and name HB3 ))
(( segid "A " and resid 44 and name HA ))
2.000 0.500 0.500 peak 970 spectrum 1 weight 0.10000E+01 volume 0.36826E-01 ppm1 1.967 ppm2 4.102 CV 1
OR { 970}
(( segid "A " and resid 44 and name HB2 ))
(( segid "A " and resid 44 and name HA ))
ASSI { 972}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HD2 ))
4.500 2.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.14876E-02 ppm1 3.877 ppm2 3.303 CV 1
OR { 972}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 973}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HB3 ))
2.100 0.600 0.600 peak 973 spectrum 1 weight 0.10000E+01 volume 0.21533E-01 ppm1 3.879 ppm2 1.974 CV 1
OR { 973}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 975}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HG2 ))
3.000 1.200 1.200 peak 975 spectrum 1 weight 0.10000E+01 volume 0.68437E-02 ppm1 3.879 ppm2 1.333 CV 1
OR { 975}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 49 and name HG3 ))
ASSI { 982}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 53 and name HA ))
2.900 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.42314E-02 ppm1 1.868 ppm2 3.503 CV 1
ASSI { 984}
(( segid "A " and resid 53 and name HB ))
( segid "A " and resid 53 and name HD1%)
2.000 0.500 0.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.28803E-01 ppm1 1.875 ppm2 0.801 CV 1
ASSI { 989}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 53 and name HN ))
2.300 0.600 0.600 peak 989 spectrum 1 weight 0.10000E+01 volume 0.10608E-01 ppm1 1.868 ppm2 8.540 CV 1
ASSI { 992}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HG3 ))
2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.14635E-01 ppm1 4.153 ppm2 2.363 CV 1
OR { 992}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HG2 ))
ASSI { 993}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HB2 ))
2.200 0.600 0.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.19846E-01 ppm1 4.153 ppm2 2.192 CV 1
OR { 993}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HB3 ))
ASSI { 996}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 10 and name HN ))
2.200 0.600 0.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.15034E-01 ppm1 1.747 ppm2 7.938 CV 1
OR { 996}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 10 and name HN ))
ASSI { 1006}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HN ))
2.500 0.800 0.800 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.84220E-02 ppm1 2.369 ppm2 7.649 CV 1
OR { 1006}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HN ))
ASSI { 1008}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HE21))
4.200 2.200 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.88893E-03 ppm1 2.373 ppm2 7.178 CV 1
OR { 1008}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HE21))
ASSI { 1009}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 58 and name HE22))
4.700 2.800 1.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.60319E-03 ppm1 2.549 ppm2 6.752 CV 1
OR { 1009}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 58 and name HE22))
ASSI { 1020}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HA ))
2.700 0.900 0.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.63312E-02 ppm1 2.796 ppm2 4.521 CV 1
OR { 1020}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 75 and name HA ))
ASSI { 1022}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 75 and name HN ))
3.300 1.300 1.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.25987E-02 ppm1 2.799 ppm2 8.069 CV 1
OR { 1022}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 75 and name HN ))
ASSI { 1023}
(( segid "A " and resid 70 and name HA ))
(( segid "A " and resid 70 and name HN ))
3.100 1.200 1.200 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.25261E-02 ppm1 4.605 ppm2 8.155 CV 1
ASSI { 1034}
(( segid "A " and resid 41 and name HG ))
(( segid "A " and resid 41 and name HN ))
4.000 2.000 2.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.18685E-02 ppm1 1.483 ppm2 7.842 CV 1
ASSI { 1037}
(( segid "A " and resid 17 and name HG ))
(( segid "A " and resid 17 and name HA ))
2.900 1.100 1.100 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.48663E-02 ppm1 1.534 ppm2 4.353 CV 1
ASSI { 1047}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 19 and name HN ))
2.400 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.89258E-02 ppm1 1.900 ppm2 7.841 CV 1
ASSI { 1051}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 19 and name HA ))
2.700 0.900 0.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.56600E-02 ppm1 1.901 ppm2 4.264 CV 1
ASSI { 1055}
(( segid "A " and resid 19 and name HB ))
( segid "A " and resid 19 and name HG1%)
1.800 0.400 0.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.40931E-01 ppm1 1.900 ppm2 0.866 CV 1
ASSI { 1067}
( segid "A " and resid 23 and name HG2%)
(( segid "A " and resid 23 and name HB ))
1.800 0.400 0.400 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.53652E-01 ppm1 0.859 ppm2 1.926 CV 1
ASSI { 1073}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 20 and name HN ))
3.600 1.600 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.87081E-03 ppm1 5.073 ppm2 8.877 CV 1
ASSI { 1094}
(( segid "A " and resid 21 and name HG ))
(( segid "A " and resid 21 and name HN ))
2.700 2.700 3.300 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.93747E-02 ppm1 1.693 ppm2 8.035 CV 1
ASSI { 1096}
(( segid "A " and resid 44 and name HG2 ))
(( segid "A " and resid 44 and name HA ))
2.300 0.700 0.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.19738E-01 ppm1 1.689 ppm2 4.114 CV 1
OR { 1096}
(( segid "A " and resid 44 and name HG3 ))
(( segid "A " and resid 44 and name HA ))
ASSI { 1101}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HA ))
2.300 0.700 0.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.11247E-01 ppm1 1.910 ppm2 4.026 CV 1
OR { 1101}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name HA ))
ASSI { 1104}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 56 and name HN ))
3.200 1.300 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.74469E-02 ppm1 0.707 ppm2 8.651 CV 1
ASSI { 1112}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 56 and name HA ))
3.700 1.700 1.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.44627E-02 ppm1 0.707 ppm2 4.032 CV 1
ASSI { 1115}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 56 and name HB3 ))
2.300 0.600 0.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.15969E-01 ppm1 0.707 ppm2 1.538 CV 1
OR { 1115}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 56 and name HB2 ))
ASSI { 1116}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 56 and name HG ))
2.000 0.500 0.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.29198E-01 ppm1 1.001 ppm2 1.877 CV 1
ASSI { 1117}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 56 and name HB2 ))
2.400 0.700 0.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.12454E-01 ppm1 1.002 ppm2 1.544 CV 1
OR { 1117}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 56 and name HB3 ))
ASSI { 1119}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 56 and name HA ))
2.400 0.700 0.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.19823E-01 ppm1 1.001 ppm2 4.024 CV 1
ASSI { 1124}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 56 and name HN ))
3.700 1.700 1.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.51793E-02 ppm1 1.001 ppm2 8.664 CV 1
ASSI { 1129}
( segid "A " and resid 41 and name HD1%)
(( segid "A " and resid 41 and name HA ))
2.600 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.19538E-01 ppm1 0.959 ppm2 4.104 CV 1
ASSI { 1136}
(( segid "A " and resid 23 and name HB ))
(( segid "A " and resid 23 and name HA ))
2.500 0.800 0.800 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.51883E-02 ppm1 1.931 ppm2 4.727 CV 1
ASSI { 1140}
(( segid "A " and resid 23 and name HB ))
(( segid "A " and resid 23 and name HN ))
2.500 0.800 0.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.10381E-01 ppm1 1.931 ppm2 8.554 CV 1
ASSI { 1142}
(( segid "A " and resid 23 and name HB ))
( segid "A " and resid 23 and name HG2%)
2.000 0.500 0.500 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.32772E-01 ppm1 1.931 ppm2 0.898 CV 1
OR { 1142}
(( segid "A " and resid 23 and name HB ))
( segid "A " and resid 23 and name HG1%)
ASSI { 1145}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name HN ))
3.200 1.300 1.300 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.17914E-02 ppm1 4.666 ppm2 8.631 CV 1
ASSI { 1147}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name HG3 ))
2.800 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.55285E-02 ppm1 4.666 ppm2 2.302 CV 1
OR { 1147}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name HG2 ))
ASSI { 1152}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 24 and name HN ))
4.200 2.200 1.800 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.14468E-02 ppm1 2.263 ppm2 8.633 CV 1
OR { 1152}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 24 and name HN ))
ASSI { 1157}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 24 and name HN ))
2.500 0.800 0.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.76464E-02 ppm1 1.971 ppm2 8.641 CV 1
OR { 1157}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 24 and name HN ))
ASSI { 1159}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 24 and name HA ))
2.500 0.800 0.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.80319E-02 ppm1 1.868 ppm2 4.679 CV 1
OR { 1159}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 24 and name HA ))
ASSI { 1166}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 26 and name HN ))
3.300 1.400 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.16599E-02 ppm1 1.917 ppm2 8.805 CV 1
OR { 1166}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 26 and name HN ))
ASSI { 1174}
(( segid "A " and resid 26 and name HG2 ))
(( segid "A " and resid 26 and name HN ))
3.800 1.800 1.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.11247E-02 ppm1 2.308 ppm2 8.808 CV 1
OR { 1174}
(( segid "A " and resid 26 and name HG3 ))
(( segid "A " and resid 26 and name HN ))
ASSI { 1177}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name HN ))
2.800 1.000 1.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.35828E-02 ppm1 4.571 ppm2 7.975 CV 1
ASSI { 1178}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name HD3 ))
2.900 1.000 1.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.36690E-02 ppm1 4.571 ppm2 3.193 CV 1
OR { 1178}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 27 and name HD2 ))
ASSI { 1184}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HA ))
2.700 0.900 0.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.51339E-02 ppm1 1.740 ppm2 4.571 CV 1
OR { 1184}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HA ))
ASSI { 1187}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HN ))
2.900 1.000 1.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.33425E-02 ppm1 1.740 ppm2 7.979 CV 1
OR { 1187}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HN ))
ASSI { 1190}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HD3 ))
3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.47212E-02 ppm1 1.866 ppm2 3.198 CV 1
OR { 1190}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 27 and name HD2 ))
OR { 1190}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HD3 ))
OR { 1190}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 27 and name HD2 ))
ASSI { 1192}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 27 and name HN ))
3.100 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.83358E-02 ppm1 1.616 ppm2 8.013 CV 1
OR { 1192}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HN ))
ASSI { 1196}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HN ))
2.700 0.900 0.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.44173E-02 ppm1 1.715 ppm2 8.425 CV 1
OR { 1196}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HN ))
ASSI { 1201}
(( segid "A " and resid 28 and name HB3 ))
( segid "A " and resid 28 and name HD1%)
2.300 0.700 0.700 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.17248E-01 ppm1 1.274 ppm2 0.815 CV 1
OR { 1201}
(( segid "A " and resid 28 and name HB2 ))
( segid "A " and resid 28 and name HD1%)
OR { 1201}
(( segid "A " and resid 28 and name HB2 ))
( segid "A " and resid 28 and name HD2%)
ASSI { 1205}
(( segid "A " and resid 28 and name HG ))
(( segid "A " and resid 28 and name HN ))
4.000 2.000 2.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.19864E-02 ppm1 1.433 ppm2 8.428 CV 1
ASSI { 1206}
(( segid "A " and resid 28 and name HG ))
(( segid "A " and resid 28 and name HA ))
2.900 1.000 1.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.38005E-02 ppm1 1.431 ppm2 4.491 CV 1
ASSI { 1207}
(( segid "A " and resid 28 and name HG ))
( segid "A " and resid 28 and name HD1%)
1.900 0.500 0.500 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.38595E-01 ppm1 1.431 ppm2 0.818 CV 1
OR { 1207}
(( segid "A " and resid 28 and name HG ))
( segid "A " and resid 28 and name HD2%)
ASSI { 1209}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 28 and name HN ))
3.900 1.900 1.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.17007E-02 ppm1 0.799 ppm2 8.450 CV 1
ASSI { 1216}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 28 and name HA ))
2.600 0.800 0.800 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.94695E-02 ppm1 0.800 ppm2 4.487 CV 1
ASSI { 1222}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 28 and name HB3 ))
2.400 0.700 0.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.14790E-01 ppm1 0.802 ppm2 1.671 CV 1
OR { 1222}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 28 and name HB2 ))
ASSI { 1223}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 28 and name HG ))
2.200 0.600 0.600 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.15206E-01 ppm1 0.799 ppm2 1.448 CV 1
ASSI { 1225}
(( segid "A " and resid 53 and name HG13))
(( segid "A " and resid 53 and name HN ))
2.600 0.800 0.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.33062E-02 ppm1 0.799 ppm2 8.539 CV 1
ASSI { 1227}
(( segid "A " and resid 53 and name HG12))
(( segid "A " and resid 53 and name HN ))
3.400 1.400 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.69798E-02 ppm1 1.886 ppm2 8.532 CV 1
ASSI { 1232}
(( segid "A " and resid 53 and name HG13))
(( segid "A " and resid 53 and name HA ))
2.900 1.100 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.40182E-02 ppm1 0.800 ppm2 3.503 CV 1
ASSI { 1234}
(( segid "A " and resid 53 and name HG13))
(( segid "A " and resid 53 and name HG12))
1.900 0.400 0.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.13796E-01 ppm1 0.800 ppm2 1.887 CV 1
ASSI { 1244}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 49 and name HB2 ))
2.400 0.700 0.700 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.87259E-02 ppm1 1.330 ppm2 1.967 CV 1
OR { 1244}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HB3 ))
OR { 1244}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HB2 ))
OR { 1244}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 49 and name HB3 ))
ASSI { 1253}
(( segid "A " and resid 41 and name HG ))
( segid "A " and resid 41 and name HD2%)
2.000 0.500 0.500 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.21561E-01 ppm1 1.481 ppm2 0.938 CV 1
ASSI { 1258}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 57 and name HA ))
2.500 0.800 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.76646E-02 ppm1 1.724 ppm2 4.099 CV 1
OR { 1258}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name HA ))
ASSI { 1260}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 57 and name HD2 ))
2.400 0.700 0.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.11606E-01 ppm1 1.967 ppm2 3.182 CV 1
OR { 1260}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name HD3 ))
OR { 1260}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name HD2 ))
OR { 1260}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 57 and name HD3 ))
ASSI { 1262}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 57 and name HN ))
3.400 1.500 1.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.51112E-02 ppm1 1.968 ppm2 8.325 CV 1
OR { 1262}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name HN ))
ASSI { 1269}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 20 and name HN ))
3.200 1.300 1.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.22449E-02 ppm1 1.896 ppm2 8.880 CV 1
OR { 1269}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 20 and name HN ))
ASSI { 1271}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 20 and name HA ))
3.100 1.200 1.200 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.22495E-02 ppm1 1.795 ppm2 5.071 CV 1
OR { 1271}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 20 and name HA ))
ASSI { 1275}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 20 and name HD3 ))
2.500 0.800 0.800 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.82224E-02 ppm1 1.896 ppm2 3.233 CV 1
OR { 1275}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 20 and name HD2 ))
OR { 1275}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 20 and name HD2 ))
OR { 1275}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 20 and name HD3 ))
ASSI { 1279}
(( segid "A " and resid 44 and name HG2 ))
(( segid "A " and resid 44 and name HN ))
2.500 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.68437E-02 ppm1 1.947 ppm2 8.025 CV 1
OR { 1279}
(( segid "A " and resid 44 and name HG3 ))
(( segid "A " and resid 44 and name HN ))
ASSI { 1282}
(( segid "A " and resid 44 and name HG3 ))
(( segid "A " and resid 44 and name HD2 ))
2.300 0.700 0.700 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 1.946 ppm2 3.136 CV 1
OR { 1282}
(( segid "A " and resid 44 and name HG2 ))
(( segid "A " and resid 44 and name HD2 ))
OR { 1282}
(( segid "A " and resid 44 and name HG3 ))
(( segid "A " and resid 44 and name HD3 ))
OR { 1282}
(( segid "A " and resid 44 and name HG2 ))
(( segid "A " and resid 44 and name HD3 ))
ASSI { 1283}
(( segid "A " and resid 72 and name HB ))
(( segid "A " and resid 72 and name HN ))
3.000 1.100 1.100 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.31021E-02 ppm1 2.071 ppm2 8.090 CV 1
ASSI { 1286}
(( segid "A " and resid 72 and name HB ))
(( segid "A " and resid 72 and name HA ))
2.900 1.100 1.100 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.35330E-02 ppm1 2.072 ppm2 4.109 CV 1
ASSI { 1287}
(( segid "A " and resid 72 and name HB ))
( segid "A " and resid 72 and name HG1%)
2.200 0.600 0.600 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.18213E-01 ppm1 2.072 ppm2 0.965 CV 1
OR { 1287}
(( segid "A " and resid 72 and name HB ))
( segid "A " and resid 72 and name HG2%)
ASSI { 1290}
(( segid "A " and resid 37 and name HG2 ))
(( segid "A " and resid 37 and name HB3 ))
2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.57824E-02 ppm1 2.517 ppm2 1.638 CV 1
OR { 1290}
(( segid "A " and resid 37 and name HG3 ))
(( segid "A " and resid 37 and name HB3 ))
OR { 1290}
(( segid "A " and resid 37 and name HG2 ))
(( segid "A " and resid 37 and name HB2 ))
OR { 1290}
(( segid "A " and resid 37 and name HG3 ))
(( segid "A " and resid 37 and name HB2 ))
ASSI { 1304}
(( segid "A " and resid 37 and name HG2 ))
(( segid "A " and resid 37 and name HN ))
4.300 2.300 1.700 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 2.517 ppm2 8.642 CV 1
OR { 1304}
(( segid "A " and resid 37 and name HG3 ))
(( segid "A " and resid 37 and name HN ))
ASSI { 1308}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 58 and name HE21))
3.100 1.200 1.200 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.19365E-02 ppm1 2.675 ppm2 7.174 CV 1
OR { 1308}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HE21))
ASSI { 1309}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 58 and name HN ))
2.800 1.000 1.000 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.62994E-02 ppm1 2.515 ppm2 7.650 CV 1
OR { 1309}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HN ))
ASSI { 1311}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 58 and name HE22))
4.200 2.200 1.800 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.14603E-02 ppm1 2.677 ppm2 6.754 CV 1
OR { 1311}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HE22))
ASSI { 1321}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 58 and name HA ))
3.100 1.200 1.200 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.52473E-02 ppm1 2.514 ppm2 4.321 CV 1
OR { 1321}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 58 and name HA ))
ASSI { 1326}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 20 and name HN ))
2.700 0.900 0.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.49842E-02 ppm1 1.981 ppm2 8.884 CV 1
OR { 1326}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 20 and name HN ))
ASSI { 1339}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 20 and name HD2 ))
2.600 0.800 0.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.66759E-02 ppm1 1.980 ppm2 3.240 CV 1
OR { 1339}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 20 and name HD3 ))
OR { 1339}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 20 and name HD2 ))
OR { 1339}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 20 and name HD3 ))
ASSI { 1342}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 20 and name HN ))
4.000 2.000 2.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 3.229 ppm2 8.883 CV 1
OR { 1342}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 20 and name HN ))
ASSI { 1344}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 20 and name HA ))
4.600 2.700 1.400 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.69843E-03 ppm1 3.227 ppm2 5.071 CV 1
OR { 1344}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 20 and name HA ))
ASSI { 1349}
(( segid "A " and resid 2 and name HD2 ))
(( segid "A " and resid 2 and name HB2 ))
2.800 1.000 1.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.12037E-01 ppm1 3.614 ppm2 2.016 CV 1
OR { 1349}
(( segid "A " and resid 2 and name HD2 ))
(( segid "A " and resid 2 and name HB3 ))
ASSI { 1350}
(( segid "A " and resid 2 and name HD3 ))
(( segid "A " and resid 2 and name HB3 ))
2.800 1.000 1.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.11066E-01 ppm1 3.568 ppm2 2.016 CV 1
OR { 1350}
(( segid "A " and resid 2 and name HD3 ))
(( segid "A " and resid 2 and name HB2 ))
ASSI { 1355}
(( segid "A " and resid 66 and name HA2 ))
(( segid "A " and resid 66 and name HN ))
4.100 2.100 1.900 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.57597E-03 ppm1 4.074 ppm2 8.275 CV 1
ASSI { 1356}
(( segid "A " and resid 66 and name HA1 ))
(( segid "A " and resid 66 and name HN ))
3.500 1.500 1.500 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.14830E-02 ppm1 3.970 ppm2 8.262 CV 1
ASSI { 1366}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 62 and name HA ))
2.900 1.000 1.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.44173E-02 ppm1 3.817 ppm2 4.416 CV 1
OR { 1366}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 62 and name HA ))
ASSI { 1375}
(( segid "A " and resid 6 and name HB3 ))
(( segid "A " and resid 6 and name HA ))
2.400 0.700 0.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.13179E-01 ppm1 4.000 ppm2 4.487 CV 1
OR { 1375}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 6 and name HA ))
ASSI { 1378}
( segid "A " and resid 72 and name HG1%)
(( segid "A " and resid 72 and name HA ))
3.000 1.100 1.100 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.55239E-02 ppm1 0.968 ppm2 4.107 CV 1
ASSI { 1380}
( segid "A " and resid 72 and name HG1%)
(( segid "A " and resid 72 and name HN ))
3.200 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.34967E-02 ppm1 0.970 ppm2 8.091 CV 1
ASSI { 1381}
( segid "A " and resid 11 and name HD2%)
(( segid "A " and resid 11 and name HN ))
3.900 1.900 1.900 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.25987E-02 ppm1 0.960 ppm2 8.336 CV 1
ASSI { 1390}
( segid "A " and resid 11 and name HD1%)
(( segid "A " and resid 11 and name HN ))
3.500 1.500 1.500 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.56555E-02 ppm1 0.895 ppm2 8.345 CV 1
ASSI { 1393}
( segid "A " and resid 55 and name HD2%)
(( segid "A " and resid 55 and name HN ))
3.400 1.500 1.500 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.44718E-02 ppm1 0.892 ppm2 7.697 CV 1
ASSI { 1397}
( segid "A " and resid 28 and name HD1%)
(( segid "A " and resid 28 and name HN ))
3.200 1.300 1.300 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.66169E-02 ppm1 0.812 ppm2 8.458 CV 1
ASSI { 1405}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HN ))
2.500 0.800 0.800 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.72972E-02 ppm1 3.902 ppm2 8.328 CV 1
ASSI { 1406}
( segid "A " and resid 11 and name HD2%)
(( segid "A " and resid 11 and name HB2 ))
2.000 0.500 0.500 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.63389E-01 ppm1 0.969 ppm2 1.861 CV 1
OR { 1406}
( segid "A " and resid 11 and name HD2%)
(( segid "A " and resid 11 and name HB3 ))
ASSI { 1407}
( segid "A " and resid 11 and name HD1%)
(( segid "A " and resid 11 and name HA ))
3.100 1.200 1.200 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.77780E-02 ppm1 0.895 ppm2 3.902 CV 1
ASSI { 1409}
( segid "A " and resid 11 and name HD1%)
(( segid "A " and resid 11 and name HB3 ))
2.100 0.500 0.500 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.31348E-01 ppm1 0.895 ppm2 1.864 CV 1
OR { 1409}
( segid "A " and resid 11 and name HD1%)
(( segid "A " and resid 11 and name HB2 ))
ASSI { 1410}
(( segid "A " and resid 11 and name HG ))
(( segid "A " and resid 11 and name HA ))
3.100 1.200 1.200 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.72473E-02 ppm1 1.711 ppm2 3.897 CV 1
ASSI { 1413}
(( segid "A " and resid 11 and name HG ))
(( segid "A " and resid 11 and name HN ))
3.400 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.69299E-02 ppm1 1.709 ppm2 8.343 CV 1
ASSI { 1414}
( segid "A " and resid 68 and name HD1%)
(( segid "A " and resid 68 and name HA ))
2.000 0.500 0.500 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.28767E-01 ppm1 0.857 ppm2 4.376 CV 1
ASSI { 1415}
( segid "A " and resid 52 and name HD1%)
(( segid "A " and resid 52 and name HA ))
2.700 2.700 3.300 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.31792E-01 ppm1 0.854 ppm2 4.062 CV 1
ASSI { 1418}
(( segid "A " and resid 45 and name HG ))
( segid "A " and resid 45 and name HD1%)
2.300 0.600 0.600 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.11130E-01 ppm1 1.767 ppm2 0.401 CV 1
ASSI { 1419}
(( segid "A " and resid 45 and name HG ))
(( segid "A " and resid 45 and name HN ))
2.400 0.700 0.700 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.77462E-02 ppm1 1.767 ppm2 8.420 CV 1
ASSI { 1421}
(( segid "A " and resid 56 and name HG ))
(( segid "A " and resid 56 and name HA ))
3.000 1.100 1.100 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.61226E-02 ppm1 1.858 ppm2 4.028 CV 1
ASSI { 1424}
(( segid "A " and resid 56 and name HG ))
(( segid "A " and resid 56 and name HN ))
2.700 0.900 0.900 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.87936E-02 ppm1 1.859 ppm2 8.675 CV 1
ASSI { 1426}
(( segid "A " and resid 56 and name HG ))
( segid "A " and resid 56 and name HD2%)
2.300 0.700 0.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.12122E-01 ppm1 1.859 ppm2 0.716 CV 1
ASSI { 1427}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name HG ))
2.100 0.500 0.500 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.23502E-01 ppm1 1.538 ppm2 1.904 CV 1
OR { 1427}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HG ))
ASSI { 1431}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 56 and name HN ))
2.500 0.800 0.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.69525E-02 ppm1 1.910 ppm2 8.671 CV 1
OR { 1431}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 56 and name HN ))
ASSI { 1433}
(( segid "A " and resid 55 and name HA ))
( segid "A " and resid 55 and name HD2%)
1.900 0.500 0.500 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.34341E-01 ppm1 4.156 ppm2 0.882 CV 1
ASSI { 1434}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 55 and name HB2 ))
1.900 0.500 0.500 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.40899E-01 ppm1 4.158 ppm2 1.752 CV 1
OR { 1434}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 1438}
(( segid "A " and resid 45 and name HG ))
(( segid "A " and resid 45 and name HA ))
2.700 0.900 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.62178E-02 ppm1 1.776 ppm2 3.865 CV 1
ASSI { 1444}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 18 and name HN ))
2.300 0.700 0.700 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.10273E-01 ppm1 4.305 ppm2 7.865 CV 1
ASSI { 1445}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 18 and name HN ))
2.600 0.900 0.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.11946E-01 ppm1 3.710 ppm2 7.867 CV 1
ASSI { 1446}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 18 and name HA2 ))
1.800 0.400 0.400 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.29865E-01 ppm1 4.304 ppm2 3.711 CV 1
ASSI { 1461}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HN ))
2.500 0.800 0.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.61860E-02 ppm1 2.274 ppm2 8.961 CV 1
OR { 1461}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HN ))
ASSI { 1463}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HA ))
2.500 0.800 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.70206E-02 ppm1 2.273 ppm2 4.721 CV 1
OR { 1463}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HA ))
ASSI { 1466}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HG2 ))
2.400 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.10028E-01 ppm1 2.273 ppm2 2.517 CV 1
OR { 1466}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HG2 ))
OR { 1466}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HG3 ))
OR { 1466}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 1471}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 31 and name HE22))
3.800 1.800 1.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.26214E-02 ppm1 2.555 ppm2 7.540 CV 1
OR { 1471}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 31 and name HE22))
ASSI { 1472}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 31 and name HN ))
4.100 2.100 1.900 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.11656E-02 ppm1 2.557 ppm2 8.958 CV 1
OR { 1472}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 31 and name HN ))
ASSI { 1475}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 31 and name HA ))
3.100 1.200 1.200 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.29842E-02 ppm1 2.557 ppm2 4.723 CV 1
OR { 1475}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 31 and name HA ))
ASSI { 1479}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name HN ))
2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.70160E-02 ppm1 4.357 ppm2 7.315 CV 1
ASSI { 1483}
(( segid "A " and resid 17 and name HA ))
( segid "A " and resid 17 and name HD2%)
1.900 0.500 0.500 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.40781E-01 ppm1 4.358 ppm2 0.818 CV 1
ASSI { 1492}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 45 and name HN ))
2.800 1.000 1.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.34649E-02 ppm1 0.989 ppm2 8.420 CV 1
OR { 1492}
(( segid "A " and resid 45 and name HB3 ))
(( segid "A " and resid 45 and name HN ))
ASSI { 1495}
(( segid "A " and resid 13 and name HE1 ))
(( segid "A " and resid 13 and name HD2 ))
4.800 2.900 1.200 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.50341E-03 ppm1 6.587 ppm2 7.842 CV 1
ASSI { 1496}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 22 and name HZ3 ))
4.300 2.300 1.700 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.12744E-02 ppm1 7.275 ppm2 6.735 CV 1
ASSI { 1498}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 19 and name HN ))
2.200 0.600 0.600 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.13987E-01 ppm1 0.868 ppm2 7.842 CV 1
ASSI { 1500}
( segid "A " and resid 23 and name HG1%)
(( segid "A " and resid 23 and name HN ))
2.100 0.600 0.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.16109E-01 ppm1 0.955 ppm2 8.576 CV 1
ASSI { 1502}
(( segid "A " and resid 57 and name HB2 ))
(( segid "A " and resid 57 and name HN ))
2.100 0.500 0.500 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.16450E-01 ppm1 1.959 ppm2 8.336 CV 1
OR { 1502}
(( segid "A " and resid 57 and name HB3 ))
(( segid "A " and resid 57 and name HN ))
ASSI { 1503}
(( segid "A " and resid 44 and name HB2 ))
(( segid "A " and resid 44 and name HN ))
2.500 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.10078E-01 ppm1 1.956 ppm2 8.025 CV 1
OR { 1503}
(( segid "A " and resid 44 and name HB3 ))
(( segid "A " and resid 44 and name HN ))
ASSI { 1508}
( segid "A " and resid 7 and name HB% )
(( segid "A " and resid 7 and name HA ))
2.100 0.500 0.500 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.29638E-01 ppm1 1.400 ppm2 4.062 CV 1
ASSI { 1520}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HB3 ))
2.300 0.700 0.700 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.16667E-01 ppm1 3.307 ppm2 1.956 CV 1
OR { 1520}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HB2 ))
OR { 1520}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name HB3 ))
OR { 1520}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 1521}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name HG2 ))
2.200 0.600 0.600 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.12676E-01 ppm1 3.308 ppm2 1.608 CV 1
OR { 1521}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HG2 ))
OR { 1521}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 49 and name HG3 ))
OR { 1521}
(( segid "A " and resid 49 and name HD2 ))
(( segid "A " and resid 49 and name HG3 ))
ASSI { 1524}
(( segid "A " and resid 57 and name HB3 ))
(( segid "A " and resid 57 and name HD3 ))
2.200 0.600 0.600 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.20517E-01 ppm1 1.960 ppm2 3.172 CV 1
OR { 1524}
(( segid "A " and resid 57 and name HB3 ))
(( segid "A " and resid 57 and name HD2 ))
OR { 1524}
(( segid "A " and resid 57 and name HB2 ))
(( segid "A " and resid 57 and name HD2 ))
OR { 1524}
(( segid "A " and resid 57 and name HB2 ))
(( segid "A " and resid 57 and name HD3 ))
ASSI { 1528}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 49 and name HN ))
2.400 0.700 0.700 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.63221E-02 ppm1 1.604 ppm2 7.211 CV 1
OR { 1528}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 49 and name HN ))
ASSI { 1532}
(( segid "A " and resid 50 and name HE1 ))
(( segid "A " and resid 50 and name HN ))
4.800 2.900 1.200 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.35375E-03 ppm1 7.219 ppm2 8.547 CV 1
ASSI { 1548}
(( segid "A " and resid 52 and name HG ))
(( segid "A " and resid 52 and name HN ))
2.600 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.64083E-02 ppm1 1.801 ppm2 8.647 CV 1
ASSI { 1550}
(( segid "A " and resid 52 and name HG ))
(( segid "A " and resid 52 and name HA ))
2.800 1.000 1.000 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.51475E-02 ppm1 1.800 ppm2 4.054 CV 1
ASSI { 1553}
(( segid "A " and resid 52 and name HG ))
( segid "A " and resid 52 and name HD2%)
1.800 0.400 0.400 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.47747E-01 ppm1 1.800 ppm2 0.865 CV 1
ASSI { 1554}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HN ))
2.500 0.800 0.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.98278E-02 ppm1 4.319 ppm2 7.647 CV 1
ASSI { 1558}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HB2 ))
2.300 0.600 0.600 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.16313E-01 ppm1 4.318 ppm2 2.532 CV 1
OR { 1558}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 58 and name HB3 ))
ASSI { 1564}
( segid "A " and resid 41 and name HD1%)
(( segid "A " and resid 41 and name HN ))
4.700 2.800 1.300 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.11610E-02 ppm1 0.959 ppm2 7.843 CV 1
ASSI { 1571}
(( segid "A " and resid 76 and name HA2 ))
(( segid "A " and resid 76 and name HN ))
4.200 2.200 1.800 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.48074E-03 ppm1 3.861 ppm2 8.194 CV 1
ASSI { 1572}
(( segid "A " and resid 76 and name HA1 ))
(( segid "A " and resid 76 and name HN ))
4.600 2.600 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.30386E-03 ppm1 3.737 ppm2 8.202 CV 1
ASSI { 1573}
(( segid "A " and resid 46 and name HA2 ))
(( segid "A " and resid 46 and name HN ))
3.500 1.500 1.500 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.25579E-02 ppm1 3.989 ppm2 8.198 CV 1
ASSI { 1574}
(( segid "A " and resid 46 and name HA1 ))
(( segid "A " and resid 46 and name HN ))
3.300 1.400 1.400 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.12790E-02 ppm1 3.766 ppm2 8.196 CV 1
ASSI { 1583}
(( segid "A " and resid 4 and name HA1 ))
(( segid "A " and resid 4 and name HN ))
4.700 2.700 1.300 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.26305E-03 ppm1 4.007 ppm2 8.396 CV 1
OR { 1583}
(( segid "A " and resid 4 and name HA2 ))
(( segid "A " and resid 4 and name HN ))
ASSI { 1587}
(( segid "A " and resid 69 and name HA ))
(( segid "A " and resid 69 and name HN ))
2.700 0.900 0.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.61997E-02 ppm1 4.396 ppm2 8.165 CV 1
ASSI { 1591}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HD3 ))
6.000 5.300 0.000 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.81635E-04 ppm1 4.550 ppm2 3.194 CV 1
OR { 1591}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HD2 ))
ASSI { 1592}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HN ))
3.000 1.100 1.100 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.33742E-02 ppm1 4.551 ppm2 8.052 CV 1
ASSI { 1593}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HN ))
3.900 1.900 1.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.74831E-03 ppm1 4.520 ppm2 8.043 CV 1
ASSI { 1595}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HB2 ))
3.400 1.400 1.400 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.15466E-02 ppm1 4.549 ppm2 1.845 CV 1
OR { 1595}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HB3 ))
ASSI { 1596}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HG3 ))
3.700 1.700 1.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.11928E-02 ppm1 4.548 ppm2 1.623 CV 1
OR { 1596}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HG2 ))
ASSI { 1599}
(( segid "A " and resid 73 and name HA ))
( segid "A " and resid 73 and name HB% )
3.100 1.200 1.200 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.28254E-02 ppm1 4.379 ppm2 1.412 CV 1
ASSI { 1600}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 73 and name HN ))
3.800 1.800 1.800 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.80727E-03 ppm1 4.387 ppm2 8.329 CV 1
ASSI { 1601}
(( segid "A " and resid 63 and name HB3 ))
(( segid "A " and resid 63 and name HA ))
3.100 1.200 1.200 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.27756E-02 ppm1 3.938 ppm2 4.433 CV 1
OR { 1601}
(( segid "A " and resid 63 and name HB2 ))
(( segid "A " and resid 63 and name HA ))
ASSI { 1606}
(( segid "A " and resid 45 and name HG ))
( segid "A " and resid 45 and name HD2%)
2.900 1.000 1.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.29162E-02 ppm1 1.767 ppm2 0.625 CV 1
ASSI { 1608}
(( segid "A " and resid 21 and name HG ))
( segid "A " and resid 21 and name HD1%)
2.100 0.500 0.500 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.19906E-01 ppm1 1.692 ppm2 0.875 CV 1
ASSI { 1612}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HA ))
3.400 1.400 1.400 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.25760E-02 ppm1 1.618 ppm2 4.563 CV 1
OR { 1612}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 27 and name HA ))
ASSI { 1613}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HD2 ))
2.700 0.900 0.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.45760E-02 ppm1 1.617 ppm2 3.196 CV 1
OR { 1613}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 27 and name HD2 ))
OR { 1613}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 27 and name HD3 ))
OR { 1613}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 27 and name HD3 ))
ASSI { 1615}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HN ))
3.200 1.300 1.300 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.21633E-02 ppm1 1.995 ppm2 7.206 CV 1
OR { 1615}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HN ))
ASSI { 1630}
(( segid "A " and resid 47 and name HA2 ))
(( segid "A " and resid 47 and name HN ))
3.300 1.400 1.400 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.32200E-02 ppm1 4.074 ppm2 8.212 CV 1
ASSI { 1631}
(( segid "A " and resid 47 and name HA1 ))
(( segid "A " and resid 47 and name HN ))
2.800 1.000 1.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.35919E-02 ppm1 3.944 ppm2 8.211 CV 1
ASSI { 1642}
(( segid "A " and resid 61 and name HD3 ))
(( segid "A " and resid 61 and name HG3 ))
3.200 1.300 1.300 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.18685E-02 ppm1 3.572 ppm2 1.845 CV 1
OR { 1642}
(( segid "A " and resid 61 and name HD3 ))
(( segid "A " and resid 61 and name HG2 ))
ASSI { 1651}
(( segid "A " and resid 60 and name HA ))
(( segid "A " and resid 60 and name HE21))
5.100 3.300 0.900 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.22676E-03 ppm1 4.689 ppm2 7.557 CV 1
ASSI { 1659}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 24 and name HB3 ))
2.700 0.900 0.900 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.57416E-02 ppm1 2.340 ppm2 1.907 CV 1
OR { 1659}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 24 and name HB2 ))
OR { 1659}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 24 and name HB3 ))
OR { 1659}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 24 and name HB2 ))
ASSI { 1662}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 40 and name HN ))
4.900 3.000 1.100 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.72111E-03 ppm1 2.300 ppm2 8.462 CV 1
OR { 1662}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 40 and name HN ))
ASSI { 1663}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 60 and name HA ))
3.200 1.300 1.300 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.20272E-02 ppm1 2.478 ppm2 4.710 CV 1
OR { 1663}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 60 and name HA ))
ASSI { 1666}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 60 and name HB2 ))
3.000 1.100 1.100 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.34559E-02 ppm1 2.475 ppm2 1.983 CV 1
OR { 1666}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 60 and name HB3 ))
OR { 1666}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 60 and name HB2 ))
OR { 1666}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 1669}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 60 and name HE22))
4.500 2.500 1.500 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.89342E-03 ppm1 2.474 ppm2 6.970 CV 1
OR { 1669}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 60 and name HE22))
ASSI { 1670}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 60 and name HE21))
3.100 1.200 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.22404E-02 ppm1 2.475 ppm2 7.575 CV 1
OR { 1670}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 60 and name HE21))
ASSI { 1683}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HA ))
3.500 1.600 1.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.35511E-02 ppm1 3.174 ppm2 4.082 CV 1
OR { 1683}
(( segid "A " and resid 57 and name HD3 ))
(( segid "A " and resid 57 and name HA ))
ASSI { 1684}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 44 and name HA ))
3.500 1.500 1.500 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.18413E-02 ppm1 3.105 ppm2 4.109 CV 1
ASSI { 1686}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 44 and name HN ))
4.700 2.800 1.300 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.48527E-03 ppm1 3.104 ppm2 8.024 CV 1
ASSI { 1689}
(( segid "A " and resid 44 and name HD2 ))
(( segid "A " and resid 44 and name HN ))
4.600 2.700 1.400 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.70750E-03 ppm1 3.168 ppm2 8.023 CV 1
ASSI { 1690}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 27 and name HN ))
4.700 2.700 1.300 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.73017E-03 ppm1 3.183 ppm2 7.993 CV 1
OR { 1690}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 27 and name HN ))
ASSI { 1691}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HN ))
4.500 2.600 1.500 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 3.179 ppm2 8.347 CV 1
OR { 1691}
(( segid "A " and resid 57 and name HD3 ))
(( segid "A " and resid 57 and name HN ))
ASSI { 1694}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 44 and name HB3 ))
2.700 0.900 0.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.57098E-02 ppm1 3.104 ppm2 1.944 CV 1
OR { 1694}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 44 and name HB2 ))
ASSI { 1695}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 44 and name HG2 ))
3.000 1.100 1.100 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.29116E-02 ppm1 3.104 ppm2 1.690 CV 1
OR { 1695}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 44 and name HG3 ))
ASSI { 1705}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 55 and name HN ))
2.900 1.000 1.000 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.30477E-02 ppm1 1.819 ppm2 7.708 CV 1
OR { 1705}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 55 and name HN ))
ASSI { 1712}
(( segid "A " and resid 55 and name HB2 ))
( segid "A " and resid 55 and name HD2%)
2.800 1.000 1.000 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.83584E-02 ppm1 1.701 ppm2 0.883 CV 1
OR { 1712}
(( segid "A " and resid 55 and name HB3 ))
( segid "A " and resid 55 and name HD2%)
ASSI { 1716}
(( segid "A " and resid 78 and name HB2 ))
(( segid "A " and resid 78 and name HN ))
3.500 1.500 1.500 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 1.590 ppm2 8.054 CV 1
OR { 1716}
(( segid "A " and resid 78 and name HB3 ))
(( segid "A " and resid 78 and name HN ))
ASSI { 1717}
(( segid "A " and resid 78 and name HB3 ))
(( segid "A " and resid 78 and name HA ))
3.100 1.200 1.200 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.28844E-02 ppm1 1.595 ppm2 4.276 CV 1
OR { 1717}
(( segid "A " and resid 78 and name HB2 ))
(( segid "A " and resid 78 and name HA ))
ASSI { 1718}
(( segid "A " and resid 78 and name HB3 ))
( segid "A " and resid 78 and name HD2%)
2.900 1.100 1.100 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.49570E-02 ppm1 1.593 ppm2 0.858 CV 1
OR { 1718}
(( segid "A " and resid 78 and name HB2 ))
( segid "A " and resid 78 and name HD1%)
OR { 1718}
(( segid "A " and resid 78 and name HB2 ))
( segid "A " and resid 78 and name HD2%)
OR { 1718}
(( segid "A " and resid 78 and name HB3 ))
( segid "A " and resid 78 and name HD1%)
ASSI { 1734}
(( segid "A " and resid 30 and name HB2 ))
( segid "A " and resid 30 and name HE% )
5.800 4.200 0.200 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.21769E-03 ppm1 2.761 ppm2 7.233 CV 1
OR { 1734}
(( segid "A " and resid 30 and name HB3 ))
( segid "A " and resid 30 and name HE% )
ASSI { 1739}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 15 and name HA ))
2.500 0.800 0.800 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.92840E-02 ppm1 1.542 ppm2 4.479 CV 1
ASSI { 1740}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 16 and name HB2 ))
2.500 0.800 0.800 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.11737E-01 ppm1 4.295 ppm2 4.100 CV 1
OR { 1740}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 16 and name HB3 ))
ASSI { 1749}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 16 and name HN ))
2.900 1.000 1.000 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.43493E-02 ppm1 4.292 ppm2 8.161 CV 1
ASSI { 1760}
( segid "A " and resid 7 and name HB% )
(( segid "A " and resid 7 and name HN ))
3.600 1.600 1.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.13605E-02 ppm1 1.399 ppm2 8.671 CV 1
ASSI { 1785}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HN ))
3.200 1.300 1.300 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.22767E-02 ppm1 4.218 ppm2 7.822 CV 1
ASSI { 1787}
(( segid "A " and resid 10 and name HA ))
( segid "A " and resid 10 and name HD1%)
2.600 0.900 0.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.73834E-02 ppm1 4.187 ppm2 0.853 CV 1
OR { 1787}
(( segid "A " and resid 10 and name HA ))
( segid "A " and resid 10 and name HD2%)
ASSI { 1792}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 10 and name HA ))
3.900 1.900 1.900 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.29932E-02 ppm1 0.809 ppm2 4.157 CV 1
ASSI { 1795}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 10 and name HB3 ))
2.500 0.800 0.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.88207E-02 ppm1 0.810 ppm2 1.745 CV 1
OR { 1795}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 10 and name HB2 ))
ASSI { 1798}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 10 and name HG ))
2.700 0.900 0.900 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.49525E-02 ppm1 0.818 ppm2 1.558 CV 1
ASSI { 1799}
(( segid "A " and resid 10 and name HG ))
(( segid "A " and resid 10 and name HN ))
4.300 2.400 1.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.13379E-02 ppm1 1.557 ppm2 7.938 CV 1
ASSI { 1801}
(( segid "A " and resid 10 and name HG ))
(( segid "A " and resid 10 and name HA ))
3.700 1.700 1.700 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.12925E-02 ppm1 1.556 ppm2 4.173 CV 1
ASSI { 1804}
(( segid "A " and resid 10 and name HG ))
( segid "A " and resid 10 and name HD2%)
2.500 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.84174E-02 ppm1 1.557 ppm2 0.837 CV 1
OR { 1804}
(( segid "A " and resid 10 and name HG ))
( segid "A " and resid 10 and name HD1%)
ASSI { 1805}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 11 and name HN ))
2.900 1.100 1.100 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.27756E-02 ppm1 1.691 ppm2 8.337 CV 1
OR { 1805}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 11 and name HN ))
ASSI { 1807}
(( segid "A " and resid 11 and name HG ))
( segid "A " and resid 11 and name HD1%)
2.400 0.700 0.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.11469E-01 ppm1 1.713 ppm2 0.903 CV 1
ASSI { 1813}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 15 and name HN ))
2.800 1.000 1.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.45171E-02 ppm1 1.544 ppm2 8.653 CV 1
ASSI { 1818}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 15 and name HN ))
3.200 1.300 1.300 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.21406E-02 ppm1 4.476 ppm2 8.644 CV 1
ASSI { 1835}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 17 and name HB3 ))
2.700 0.900 0.900 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.71657E-02 ppm1 0.811 ppm2 1.638 CV 1
OR { 1835}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 17 and name HB2 ))
ASSI { 1854}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 20 and name HG2 ))
2.600 0.900 0.900 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.60228E-02 ppm1 3.238 ppm2 1.902 CV 1
OR { 1854}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 20 and name HG3 ))
OR { 1854}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 20 and name HG2 ))
OR { 1854}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 20 and name HG3 ))
ASSI { 1862}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 22 and name HE1 ))
6.000 4.700 0.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.17234E-03 ppm1 6.903 ppm2 10.654 CV 1
ASSI { 1871}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 28 and name HG ))
3.000 1.200 1.200 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.23583E-02 ppm1 1.275 ppm2 1.421 CV 1
OR { 1871}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 28 and name HG ))
ASSI { 1880}
( segid "A " and resid 28 and name HD1%)
(( segid "A " and resid 28 and name HA ))
4.000 2.000 2.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 0.814 ppm2 4.491 CV 1
ASSI { 1888}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 31 and name HN ))
4.500 2.600 1.500 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.18141E-03 ppm1 4.729 ppm2 8.983 CV 1
ASSI { 1893}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 31 and name HE22))
6.000 5.300 0.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.90706E-04 ppm1 2.265 ppm2 7.533 CV 1
OR { 1893}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 31 and name HE22))
ASSI { 1900}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 32 and name HN ))
4.500 2.500 1.500 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.20409E-03 ppm1 5.217 ppm2 9.128 CV 1
ASSI { 1909}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 33 and name HG2 ))
2.900 1.100 1.100 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.28300E-02 ppm1 2.634 ppm2 2.286 CV 1
OR { 1909}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 33 and name HG3 ))
OR { 1909}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 33 and name HG3 ))
OR { 1909}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 1917}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 34 and name HD3 ))
2.100 0.500 0.500 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.80546E-02 ppm1 3.945 ppm2 3.697 CV 1
ASSI { 1920}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 34 and name HB3 ))
3.800 1.800 1.800 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.31656E-02 ppm1 3.940 ppm2 1.956 CV 1
OR { 1920}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 34 and name HB2 ))
ASSI { 1922}
(( segid "A " and resid 35 and name HA2 ))
(( segid "A " and resid 35 and name HA1 ))
2.200 0.600 0.600 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.82360E-02 ppm1 4.225 ppm2 3.782 CV 1
ASSI { 1935}
(( segid "A " and resid 36 and name HB ))
(( segid "A " and resid 36 and name HN ))
3.400 1.400 1.400 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.34195E-02 ppm1 1.981 ppm2 7.431 CV 1
ASSI { 1936}
(( segid "A " and resid 36 and name HB ))
( segid "A " and resid 36 and name HG2%)
2.400 0.700 0.700 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.82723E-02 ppm1 1.980 ppm2 0.922 CV 1
ASSI { 1940}
( segid "A " and resid 36 and name HG2%)
(( segid "A " and resid 36 and name HN ))
3.100 1.200 1.200 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.13016E-02 ppm1 0.892 ppm2 7.434 CV 1
ASSI { 1948}
(( segid "A " and resid 37 and name HB3 ))
(( segid "A " and resid 37 and name HG2 ))
3.000 1.100 1.100 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.27484E-02 ppm1 2.182 ppm2 2.524 CV 1
OR { 1948}
(( segid "A " and resid 37 and name HB3 ))
(( segid "A " and resid 37 and name HG3 ))
OR { 1948}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HG2 ))
OR { 1948}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 37 and name HG3 ))
ASSI { 1970}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 40 and name HG2 ))
2.200 0.600 0.600 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.20277E-01 ppm1 1.910 ppm2 2.310 CV 1
OR { 1970}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 40 and name HG2 ))
OR { 1970}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 40 and name HG3 ))
OR { 1970}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 1975}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 40 and name HN ))
3.500 1.500 1.500 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.10749E-02 ppm1 2.124 ppm2 8.468 CV 1
OR { 1975}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 40 and name HN ))
ASSI { 1982}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 44 and name HN ))
3.100 1.200 1.200 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.26168E-02 ppm1 4.120 ppm2 8.025 CV 1
ASSI { 1998}
( segid "A " and resid 59 and name HD1%)
(( segid "A " and resid 59 and name HN ))
4.000 2.000 2.000 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.18549E-02 ppm1 0.932 ppm2 7.630 CV 1
ASSI { 1999}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 21 and name HN ))
5.000 3.100 1.000 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.17234E-03 ppm1 0.929 ppm2 8.075 CV 1
ASSI { 2004}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HB2 ))
2.500 0.800 0.800 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.10694E-01 ppm1 4.285 ppm2 4.040 CV 1
OR { 2004}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 43 and name HB3 ))
ASSI { 2010}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 44 and name HD3 ))
3.600 1.700 1.700 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.18367E-02 ppm1 4.120 ppm2 3.158 CV 1
OR { 2010}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 44 and name HD2 ))
ASSI { 2029}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 10 and name HG ))
2.600 0.900 0.900 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.58277E-02 ppm1 1.748 ppm2 1.542 CV 1
OR { 2029}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 10 and name HG ))
ASSI { 2034}
(( segid "A " and resid 46 and name HA2 ))
(( segid "A " and resid 46 and name HA1 ))
2.400 0.700 0.700 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.47303E-02 ppm1 3.990 ppm2 3.762 CV 1
ASSI { 2035}
(( segid "A " and resid 47 and name HA2 ))
(( segid "A " and resid 47 and name HA1 ))
2.300 0.600 0.600 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.70705E-02 ppm1 4.081 ppm2 3.936 CV 1
ASSI { 2042}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HD2 ))
3.100 1.200 1.200 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.26848E-02 ppm1 1.925 ppm2 3.290 CV 1
OR { 2042}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HD2 ))
OR { 2042}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HD3 ))
OR { 2042}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HD3 ))
ASSI { 2045}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HG3 ))
3.000 1.100 1.100 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.22812E-02 ppm1 1.996 ppm2 1.637 CV 1
OR { 2045}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HG2 ))
OR { 2045}
(( segid "A " and resid 49 and name HB2 ))
(( segid "A " and resid 49 and name HG2 ))
OR { 2045}
(( segid "A " and resid 49 and name HB3 ))
(( segid "A " and resid 49 and name HG3 ))
ASSI { 2056}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HG3 ))
2.500 0.800 0.800 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.94966E-02 ppm1 2.184 ppm2 2.393 CV 1
OR { 2056}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 64 and name HG2 ))
OR { 2056}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HG3 ))
OR { 2056}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 64 and name HG2 ))
ASSI { 2066}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 51 and name HN ))
4.300 2.300 1.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.12880E-02 ppm1 2.431 ppm2 8.244 CV 1
OR { 2066}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 51 and name HN ))
ASSI { 2069}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 51 and name HB3 ))
3.000 1.100 1.100 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.31792E-02 ppm1 2.430 ppm2 2.023 CV 1
OR { 2069}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 51 and name HB3 ))
OR { 2069}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 51 and name HB2 ))
OR { 2069}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 51 and name HB2 ))
ASSI { 2082}
(( segid "A " and resid 53 and name HB ))
( segid "A " and resid 53 and name HG2%)
2.600 0.900 0.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.54287E-02 ppm1 1.875 ppm2 0.899 CV 1
ASSI { 2085}
(( segid "A " and resid 53 and name HG12))
(( segid "A " and resid 53 and name HA ))
3.300 1.400 1.400 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.13878E-02 ppm1 1.885 ppm2 3.504 CV 1
ASSI { 2090}
(( segid "A " and resid 54 and name HA ))
( segid "A " and resid 54 and name HB% )
2.300 0.600 0.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.15905E-01 ppm1 4.059 ppm2 1.466 CV 1
ASSI { 2096}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 56 and name HN ))
3.000 1.100 1.100 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.32835E-02 ppm1 4.025 ppm2 8.662 CV 1
ASSI { 2114}
( segid "A " and resid 59 and name HD1%)
(( segid "A " and resid 59 and name HA ))
3.600 1.600 1.600 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.33833E-02 ppm1 0.931 ppm2 4.042 CV 1
ASSI { 2117}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 60 and name HN ))
3.700 1.700 1.700 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.80727E-03 ppm1 1.988 ppm2 7.545 CV 1
OR { 2117}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 60 and name HN ))
ASSI { 2119}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HD2 ))
5.000 3.200 1.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.43992E-03 ppm1 4.390 ppm2 3.232 CV 1
OR { 2119}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HD3 ))
ASSI { 2121}
(( segid "A " and resid 71 and name HB2 ))
(( segid "A " and resid 71 and name HD2 ))
4.400 2.400 1.600 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.91155E-03 ppm1 2.283 ppm2 3.725 CV 1
OR { 2121}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 71 and name HD2 ))
OR { 2121}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 71 and name HD3 ))
OR { 2121}
(( segid "A " and resid 71 and name HB2 ))
(( segid "A " and resid 71 and name HD3 ))
ASSI { 2122}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 68 and name HA ))
2.800 1.000 1.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.48028E-02 ppm1 1.618 ppm2 4.395 CV 1
OR { 2122}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 68 and name HA ))
ASSI { 2123}
(( segid "A " and resid 69 and name HB3 ))
(( segid "A " and resid 69 and name HN ))
3.600 1.600 1.600 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.12018E-02 ppm1 1.542 ppm2 8.166 CV 1
OR { 2123}
(( segid "A " and resid 69 and name HB2 ))
(( segid "A " and resid 69 and name HN ))
ASSI { 2124}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HD3 ))
4.400 2.400 1.600 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.57144E-03 ppm1 4.482 ppm2 3.598 CV 1
ASSI { 2126}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB3 ))
2.600 0.800 0.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.71612E-02 ppm1 4.476 ppm2 2.295 CV 1
OR { 2126}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB2 ))
ASSI { 2138}
( segid "A " and resid 73 and name HB% )
(( segid "A " and resid 73 and name HN ))
3.800 1.800 1.800 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.10522E-02 ppm1 1.414 ppm2 8.338 CV 1
ASSI { 2139}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
3.100 1.200 1.200 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.25080E-02 ppm1 4.386 ppm2 1.761 CV 1
OR { 2139}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 2140}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 74 and name HD2 ))
3.900 1.900 1.900 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.87081E-03 ppm1 1.783 ppm2 3.210 CV 1
OR { 2140}
(( segid "A " and resid 74 and name HB2 ))
(( segid "A " and resid 74 and name HD2 ))
OR { 2140}
(( segid "A " and resid 74 and name HB2 ))
(( segid "A " and resid 74 and name HD3 ))
OR { 2140}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 74 and name HD3 ))
ASSI { 23}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 29 and name HA ))
2.800 2.800 3.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 6.744 ppm2 4.378 CV 1
ASSI { 74}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 21 and name HA ))
2.900 1.100 1.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.30431E-02 ppm1 7.089 ppm2 5.586 CV 1
ASSI { 77}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 21 and name HN ))
3.800 1.800 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.71204E-03 ppm1 7.088 ppm2 8.068 CV 1
ASSI { 87}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 21 and name HB3 ))
4.300 2.300 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 7.088 ppm2 1.549 CV 1
OR { 87}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 21 and name HB2 ))
ASSI { 100}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 21 and name HA ))
3.800 1.800 1.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.81635E-03 ppm1 6.742 ppm2 5.592 CV 1
ASSI { 138}
(( segid "A " and resid 50 and name HE1 ))
(( segid "A " and resid 49 and name HG2 ))
4.500 2.600 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.67575E-03 ppm1 7.218 ppm2 1.577 CV 1
ASSI { 141}
(( segid "A " and resid 13 and name HD2 ))
( segid "A " and resid 12 and name HB% )
3.300 3.300 2.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.68935E-03 ppm1 7.832 ppm2 1.534 CV 1
ASSI { 169}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 19 and name HB ))
3.100 3.100 2.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.28799E-02 ppm1 5.075 ppm2 1.931 CV 1
ASSI { 176}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 47 and name HA2 ))
3.400 1.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20227E-02 ppm1 4.945 ppm2 4.062 CV 1
ASSI { 187}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 21 and name HA ))
4.300 2.300 1.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.94331E-03 ppm1 4.898 ppm2 5.585 CV 1
ASSI { 193}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 31 and name HB3 ))
2.500 2.500 3.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.71204E-02 ppm1 5.218 ppm2 2.239 CV 1
ASSI { 213}
(( segid "A " and resid 33 and name HA ))
( segid "A " and resid 32 and name HB% )
3.900 1.900 1.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.96601E-03 ppm1 4.884 ppm2 1.486 CV 1
ASSI { 229}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 49 and name HG3 ))
3.500 1.500 1.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.22495E-02 ppm1 4.317 ppm2 1.581 CV 1
OR { 229}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 49 and name HG2 ))
ASSI { 259}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 8 and name HA2 ))
3.400 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 4.216 ppm2 3.802 CV 1
ASSI { 260}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 8 and name HA1 ))
3.800 1.800 1.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.14694E-02 ppm1 4.216 ppm2 3.556 CV 1
ASSI { 289}
(( segid "A " and resid 21 and name HG ))
(( segid "A " and resid 20 and name HN ))
3.500 1.500 1.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.14740E-02 ppm1 1.690 ppm2 8.916 CV 1
ASSI { 331}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 28 and name HA ))
4.500 2.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 1.099 ppm2 4.505 CV 1
OR { 331}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 28 and name HA ))
ASSI { 376}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 44 and name HN ))
3.700 1.800 1.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.34468E-03 ppm1 0.401 ppm2 8.033 CV 1
ASSI { 402}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 16 and name HB3 ))
4.200 2.200 1.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.94789E-03 ppm1 0.630 ppm2 4.114 CV 1
ASSI { 415}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 16 and name HN ))
5.200 3.300 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.44899E-03 ppm1 0.629 ppm2 8.156 CV 1
ASSI { 418}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 16 and name HB3 ))
3.900 1.900 1.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.68482E-03 ppm1 0.803 ppm2 4.109 CV 1
ASSI { 424}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 16 and name HN ))
3.400 3.400 2.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.56690E-03 ppm1 0.805 ppm2 8.163 CV 1
ASSI { 441}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 32 and name HA ))
2.700 0.900 0.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.77553E-02 ppm1 3.247 ppm2 5.218 CV 1
ASSI { 458}
(( segid "A " and resid 33 and name HD2 ))
( segid "A " and resid 32 and name HB% )
2.700 0.900 0.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.60772E-02 ppm1 3.248 ppm2 1.491 CV 1
ASSI { 471}
(( segid "A " and resid 33 and name HB2 ))
( segid "A " and resid 32 and name HB% )
5.100 3.200 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.52155E-03 ppm1 2.635 ppm2 1.488 CV 1
OR { 471}
(( segid "A " and resid 33 and name HB3 ))
( segid "A " and resid 32 and name HB% )
ASSI { 479}
(( segid "A " and resid 33 and name HG2 ))
( segid "A " and resid 32 and name HB% )
4.700 2.800 1.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 2.295 ppm2 1.489 CV 1
OR { 479}
(( segid "A " and resid 33 and name HG3 ))
( segid "A " and resid 32 and name HB% )
ASSI { 487}
(( segid "A " and resid 34 and name HG3 ))
(( segid "A " and resid 33 and name HA ))
4.200 2.200 1.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.32744E-02 ppm1 2.211 ppm2 4.884 CV 1
OR { 487}
(( segid "A " and resid 34 and name HG2 ))
(( segid "A " and resid 33 and name HA ))
ASSI { 491}
(( segid "A " and resid 33 and name HG3 ))
(( segid "A " and resid 32 and name HA ))
4.600 2.600 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.17098E-02 ppm1 2.165 ppm2 5.218 CV 1
OR { 491}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 32 and name HA ))
ASSI { 496}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 31 and name HG3 ))
3.400 1.500 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.21179E-02 ppm1 1.489 ppm2 2.525 CV 1
ASSI { 503}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 31 and name HA ))
3.700 1.800 1.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.23175E-02 ppm1 1.490 ppm2 4.695 CV 1
ASSI { 509}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 33 and name HB3 ))
2.700 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.36191E-02 ppm1 3.946 ppm2 2.637 CV 1
OR { 509}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 33 and name HB2 ))
ASSI { 513}
(( segid "A " and resid 34 and name HD3 ))
(( segid "A " and resid 33 and name HA ))
2.300 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.97101E-02 ppm1 3.697 ppm2 4.885 CV 1
ASSI { 514}
(( segid "A " and resid 34 and name HD2 ))
(( segid "A " and resid 33 and name HA ))
2.200 0.600 0.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.22281E-01 ppm1 3.944 ppm2 4.885 CV 1
ASSI { 552}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 37 and name HB3 ))
2.600 2.600 3.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.42767E-02 ppm1 4.790 ppm2 1.659 CV 1
ASSI { 561}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 38 and name HA ))
4.400 2.400 1.600 peak 561 spectrum 1 weight 0.10000E+01 volume 0.24082E-02 ppm1 2.258 ppm2 4.752 CV 1
OR { 561}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 38 and name HA ))
ASSI { 562}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 38 and name HB ))
4.300 2.300 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.24400E-02 ppm1 2.054 ppm2 4.748 CV 1
OR { 562}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 38 and name HB ))
ASSI { 569}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 38 and name HB ))
4.500 2.500 1.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.99777E-03 ppm1 2.418 ppm2 4.755 CV 1
OR { 569}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 38 and name HB ))
ASSI { 570}
(( segid "A " and resid 39 and name HD3 ))
(( segid "A " and resid 38 and name HN ))
4.700 2.800 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.86623E-03 ppm1 3.941 ppm2 7.322 CV 1
OR { 570}
(( segid "A " and resid 39 and name HD2 ))
(( segid "A " and resid 38 and name HN ))
ASSI { 571}
(( segid "A " and resid 39 and name HA ))
( segid "A " and resid 38 and name HG2%)
5.100 3.300 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.39910E-03 ppm1 4.289 ppm2 1.377 CV 1
ASSI { 575}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 38 and name HB ))
4.500 2.500 1.500 peak 575 spectrum 1 weight 0.10000E+01 volume 0.68482E-03 ppm1 4.287 ppm2 4.759 CV 1
ASSI { 584}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 42 and name HN ))
4.600 2.700 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.85260E-03 ppm1 4.022 ppm2 8.628 CV 1
OR { 584}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 42 and name HN ))
ASSI { 588}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 42 and name HG3 ))
3.500 1.600 1.600 peak 588 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 4.023 ppm2 2.282 CV 1
OR { 588}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 42 and name HG3 ))
ASSI { 593}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 15 and name HN ))
4.800 2.800 1.200 peak 593 spectrum 1 weight 0.10000E+01 volume 0.85717E-03 ppm1 4.287 ppm2 8.644 CV 1
ASSI { 595}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 44 and name HA ))
3.700 1.700 1.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.12971E-02 ppm1 3.864 ppm2 4.115 CV 1
ASSI { 607}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 51 and name HG3 ))
3.400 1.500 1.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.83902E-03 ppm1 4.029 ppm2 2.450 CV 1
ASSI { 622}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 52 and name HA ))
3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.20182E-02 ppm1 3.501 ppm2 4.052 CV 1
ASSI { 637}
(( segid "A " and resid 10 and name HA ))
( segid "A " and resid 9 and name HB% )
2.500 2.500 3.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.14264E-01 ppm1 4.181 ppm2 1.533 CV 1
ASSI { 707}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 51 and name HN ))
4.400 2.400 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11656E-02 ppm1 1.994 ppm2 8.258 CV 1
OR { 707}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 51 and name HN ))
ASSI { 726}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 36 and name HA ))
4.000 2.000 2.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.14377E-02 ppm1 1.264 ppm2 3.953 CV 1
ASSI { 735}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 36 and name HB ))
3.100 1.200 1.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.38232E-02 ppm1 1.264 ppm2 1.983 CV 1
ASSI { 738}
(( segid "A " and resid 42 and name HA ))
( segid "A " and resid 41 and name HD2%)
2.600 0.800 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.68845E-02 ppm1 3.633 ppm2 0.886 CV 1
ASSI { 744}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 41 and name HG ))
3.600 1.700 1.700 peak 744 spectrum 1 weight 0.10000E+01 volume 0.15782E-02 ppm1 3.633 ppm2 1.495 CV 1
ASSI { 749}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 41 and name HN ))
5.000 3.100 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 3.634 ppm2 7.835 CV 1
ASSI { 761}
(( segid "A " and resid 42 and name HB2 ))
( segid "A " and resid 41 and name HD2%)
3.300 1.400 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 2.074 ppm2 0.881 CV 1
OR { 761}
(( segid "A " and resid 42 and name HB3 ))
( segid "A " and resid 41 and name HD2%)
ASSI { 766}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 41 and name HB2 ))
3.700 3.700 2.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 2.213 ppm2 1.631 CV 1
OR { 766}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 41 and name HB3 ))
ASSI { 791}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 13 and name HN ))
5.100 3.300 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.43992E-03 ppm1 3.752 ppm2 8.370 CV 1
ASSI { 800}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 13 and name HN ))
4.100 2.100 1.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.18459E-02 ppm1 1.408 ppm2 8.355 CV 1
ASSI { 802}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 13 and name HD2 ))
2.700 2.700 3.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.25579E-02 ppm1 1.408 ppm2 7.852 CV 1
ASSI { 807}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 13 and name HB2 ))
3.800 1.800 1.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.22314E-02 ppm1 1.408 ppm2 3.308 CV 1
ASSI { 818}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 29 and name HB3 ))
4.000 2.000 2.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.31747E-03 ppm1 5.851 ppm2 0.252 CV 1
OR { 818}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 29 and name HB2 ))
ASSI { 819}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 30 and name HA ))
4.000 2.000 2.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 2.273 ppm2 5.855 CV 1
OR { 819}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 30 and name HA ))
ASSI { 824}
( segid "A " and resid 23 and name HG2%)
(( segid "A " and resid 22 and name HD1 ))
4.300 2.400 1.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.81635E-03 ppm1 0.859 ppm2 6.974 CV 1
ASSI { 860}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 54 and name HN ))
5.300 3.500 0.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.34921E-03 ppm1 4.143 ppm2 7.349 CV 1
ASSI { 884}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 14 and name HA ))
4.000 2.000 2.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.84811E-03 ppm1 4.478 ppm2 3.732 CV 1
ASSI { 915}
(( segid "A " and resid 13 and name HB3 ))
(( segid "A " and resid 12 and name HN ))
4.400 2.400 1.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.15239E-02 ppm1 3.333 ppm2 7.921 CV 1
OR { 915}
(( segid "A " and resid 13 and name HB2 ))
(( segid "A " and resid 12 and name HN ))
ASSI { 924}
(( segid "A " and resid 13 and name HB3 ))
( segid "A " and resid 12 and name HB% )
3.300 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.43040E-02 ppm1 3.270 ppm2 1.522 CV 1
ASSI { 935}
(( segid "A " and resid 13 and name HA ))
( segid "A " and resid 12 and name HB% )
3.200 1.300 1.300 peak 935 spectrum 1 weight 0.10000E+01 volume 0.39049E-02 ppm1 4.426 ppm2 1.530 CV 1
ASSI { 942}
(( segid "A " and resid 16 and name HB2 ))
(( segid "A " and resid 15 and name HN ))
4.600 2.700 1.400 peak 942 spectrum 1 weight 0.10000E+01 volume 0.96601E-03 ppm1 4.116 ppm2 8.655 CV 1
OR { 942}
(( segid "A " and resid 16 and name HB3 ))
(( segid "A " and resid 15 and name HN ))
ASSI { 943}
(( segid "A " and resid 16 and name HB2 ))
( segid "A " and resid 15 and name HB% )
3.000 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.88343E-02 ppm1 4.114 ppm2 1.544 CV 1
OR { 943}
(( segid "A " and resid 16 and name HB3 ))
( segid "A " and resid 15 and name HB% )
ASSI { 945}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 13 and name HB2 ))
4.200 2.200 1.800 peak 945 spectrum 1 weight 0.10000E+01 volume 0.65308E-03 ppm1 3.745 ppm2 3.284 CV 1
ASSI { 964}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 40 and name HG2 ))
3.600 1.600 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.11928E-02 ppm1 4.103 ppm2 2.301 CV 1
OR { 964}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 986}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 52 and name HB2 ))
4.600 2.600 1.400 peak 986 spectrum 1 weight 0.10000E+01 volume 0.89342E-03 ppm1 1.866 ppm2 1.269 CV 1
OR { 986}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 991}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 50 and name HB2 ))
3.700 1.700 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 4.146 ppm2 3.176 CV 1
ASSI { 1011}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 57 and name HA ))
4.400 2.400 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.95238E-03 ppm1 2.564 ppm2 4.126 CV 1
OR { 1011}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 57 and name HA ))
ASSI { 1027}
(( segid "A " and resid 70 and name HA ))
( segid "A " and resid 69 and name HD1%)
3.500 1.500 1.500 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.51248E-03 ppm1 4.604 ppm2 0.879 CV 1
ASSI { 1036}
(( segid "A " and resid 17 and name HG ))
(( segid "A " and resid 16 and name HN ))
4.500 2.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.62133E-03 ppm1 1.536 ppm2 8.155 CV 1
ASSI { 1041}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 18 and name HA2 ))
4.300 2.300 1.700 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.48074E-03 ppm1 4.249 ppm2 3.731 CV 1
ASSI { 1065}
( segid "A " and resid 23 and name HG2%)
(( segid "A " and resid 22 and name HB2 ))
2.800 2.800 3.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.19274E-02 ppm1 0.858 ppm2 3.501 CV 1
OR { 1065}
( segid "A " and resid 23 and name HG2%)
(( segid "A " and resid 22 and name HB3 ))
ASSI { 1072}
(( segid "A " and resid 25 and name HA1 ))
(( segid "A " and resid 24 and name HA ))
4.700 2.800 1.300 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.15556E-02 ppm1 4.011 ppm2 4.703 CV 1
ASSI { 1074}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 20 and name HA ))
5.400 3.600 0.600 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.23583E-03 ppm1 5.591 ppm2 5.086 CV 1
ASSI { 1084}
(( segid "A " and resid 21 and name HB2 ))
(( segid "A " and resid 20 and name HA ))
4.900 3.000 1.100 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.56237E-03 ppm1 1.595 ppm2 5.036 CV 1
OR { 1084}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 20 and name HA ))
ASSI { 1091}
(( segid "A " and resid 21 and name HG ))
(( segid "A " and resid 20 and name HA ))
4.300 2.400 1.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.73471E-03 ppm1 1.696 ppm2 5.060 CV 1
ASSI { 1137}
(( segid "A " and resid 23 and name HB ))
(( segid "A " and resid 22 and name HA ))
4.300 2.300 1.700 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 1.931 ppm2 4.907 CV 1
ASSI { 1154}
(( segid "A " and resid 24 and name HG3 ))
( segid "A " and resid 23 and name HG1%)
2.800 2.800 3.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.21497E-02 ppm1 2.262 ppm2 0.915 CV 1
OR { 1154}
(( segid "A " and resid 24 and name HG2 ))
( segid "A " and resid 23 and name HG1%)
ASSI { 1164}
(( segid "A " and resid 25 and name HA1 ))
(( segid "A " and resid 24 and name HG3 ))
3.800 1.800 1.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.22676E-02 ppm1 4.007 ppm2 2.281 CV 1
OR { 1164}
(( segid "A " and resid 25 and name HA1 ))
(( segid "A " and resid 24 and name HG2 ))
ASSI { 1165}
(( segid "A " and resid 25 and name HA2 ))
(( segid "A " and resid 24 and name HG3 ))
3.600 1.600 1.600 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 3.734 ppm2 2.278 CV 1
OR { 1165}
(( segid "A " and resid 25 and name HA2 ))
(( segid "A " and resid 24 and name HG2 ))
ASSI { 1179}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 26 and name HG3 ))
4.000 2.000 2.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.69389E-03 ppm1 4.573 ppm2 2.300 CV 1
OR { 1179}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 26 and name HG2 ))
ASSI { 1231}
(( segid "A " and resid 53 and name HG13))
(( segid "A " and resid 52 and name HA ))
4.900 2.900 1.100 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.45806E-03 ppm1 0.803 ppm2 4.053 CV 1
ASSI { 1263}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 56 and name HN ))
4.700 2.800 1.300 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.11610E-02 ppm1 1.980 ppm2 8.663 CV 1
OR { 1263}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 56 and name HN ))
ASSI { 1285}
(( segid "A " and resid 72 and name HB ))
(( segid "A " and resid 71 and name HA ))
4.500 2.500 1.500 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.51248E-03 ppm1 2.074 ppm2 4.447 CV 1
ASSI { 1292}
(( segid "A " and resid 37 and name HG2 ))
( segid "A " and resid 36 and name HG2%)
3.800 1.800 1.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.27937E-02 ppm1 2.515 ppm2 0.893 CV 1
OR { 1292}
(( segid "A " and resid 37 and name HG3 ))
( segid "A " and resid 36 and name HG2%)
ASSI { 1312}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 57 and name HN ))
4.800 2.900 1.200 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.40817E-03 ppm1 2.515 ppm2 8.324 CV 1
OR { 1312}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 57 and name HN ))
ASSI { 1316}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 57 and name HA ))
3.700 1.700 1.700 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.18640E-02 ppm1 2.675 ppm2 4.127 CV 1
OR { 1316}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 57 and name HA ))
ASSI { 1318}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 57 and name HB3 ))
2.700 2.700 3.300 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.24535E-02 ppm1 2.677 ppm2 1.953 CV 1
OR { 1318}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 57 and name HB2 ))
ASSI { 1337}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 19 and name HA ))
4.500 2.500 1.500 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.12472E-02 ppm1 2.115 ppm2 4.271 CV 1
OR { 1337}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 19 and name HA ))
ASSI { 1348}
(( segid "A " and resid 2 and name HD3 ))
(( segid "A " and resid 1 and name HA2 ))
2.500 0.800 0.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.78187E-02 ppm1 3.569 ppm2 4.006 CV 1
OR { 1348}
(( segid "A " and resid 2 and name HD3 ))
(( segid "A " and resid 1 and name HA1 ))
ASSI { 1377}
( segid "A " and resid 72 and name HG1%)
(( segid "A " and resid 71 and name HA ))
3.500 1.500 1.500 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.23493E-02 ppm1 0.968 ppm2 4.416 CV 1
ASSI { 1398}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 53 and name HA ))
4.700 2.800 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.31747E-03 ppm1 4.060 ppm2 3.535 CV 1
ASSI { 1422}
(( segid "A " and resid 56 and name HG ))
(( segid "A " and resid 55 and name HN ))
4.000 2.000 2.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 1.860 ppm2 7.694 CV 1
ASSI { 1441}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 17 and name HN ))
4.900 2.900 1.100 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.97507E-03 ppm1 4.305 ppm2 7.314 CV 1
ASSI { 1443}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 17 and name HN ))
4.700 2.800 1.300 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.12608E-02 ppm1 3.710 ppm2 7.309 CV 1
ASSI { 1458}
(( segid "A " and resid 31 and name HB3 ))
( segid "A " and resid 30 and name HD% )
3.200 1.300 1.300 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.75966E-02 ppm1 2.274 ppm2 6.748 CV 1
OR { 1458}
(( segid "A " and resid 31 and name HB2 ))
( segid "A " and resid 30 and name HD% )
ASSI { 1470}
(( segid "A " and resid 31 and name HG3 ))
( segid "A " and resid 30 and name HD% )
2.800 2.800 3.200 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.17221E-01 ppm1 2.557 ppm2 6.764 CV 1
OR { 1470}
(( segid "A " and resid 31 and name HG2 ))
( segid "A " and resid 30 and name HD% )
ASSI { 1505}
(( segid "A " and resid 71 and name HD3 ))
(( segid "A " and resid 70 and name HA ))
2.200 0.600 0.600 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.97101E-02 ppm1 3.653 ppm2 4.608 CV 1
ASSI { 1510}
( segid "A " and resid 9 and name HB% )
(( segid "A " and resid 8 and name HA2 ))
4.000 2.000 2.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.20817E-02 ppm1 1.493 ppm2 3.820 CV 1
ASSI { 1547}
(( segid "A " and resid 37 and name HB2 ))
( segid "A " and resid 36 and name HG2%)
3.400 1.500 1.500 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.19230E-02 ppm1 1.640 ppm2 0.905 CV 1
OR { 1547}
(( segid "A " and resid 37 and name HB3 ))
( segid "A " and resid 36 and name HG2%)
ASSI { 1555}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 57 and name HN ))
4.600 2.700 1.400 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.77099E-03 ppm1 4.320 ppm2 8.330 CV 1
ASSI { 1559}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 57 and name HB3 ))
2.600 2.600 3.400 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.53062E-02 ppm1 4.318 ppm2 1.941 CV 1
ASSI { 1570}
(( segid "A " and resid 76 and name HA2 ))
(( segid "A " and resid 75 and name HB3 ))
5.000 3.200 1.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.18141E-03 ppm1 3.861 ppm2 2.807 CV 1
ASSI { 1575}
(( segid "A " and resid 46 and name HA2 ))
(( segid "A " and resid 45 and name HN ))
6.000 4.900 0.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.14059E-03 ppm1 3.984 ppm2 8.441 CV 1
ASSI { 1632}
(( segid "A " and resid 35 and name HA2 ))
(( segid "A " and resid 34 and name HB2 ))
4.200 2.200 1.800 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.35828E-03 ppm1 4.225 ppm2 1.976 CV 1
ASSI { 1633}
(( segid "A " and resid 35 and name HA1 ))
(( segid "A " and resid 34 and name HB2 ))
5.000 3.100 1.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.29025E-03 ppm1 3.779 ppm2 1.979 CV 1
ASSI { 1637}
(( segid "A " and resid 71 and name HD2 ))
(( segid "A " and resid 70 and name HN ))
6.000 4.600 0.000 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.20862E-03 ppm1 3.750 ppm2 8.134 CV 1
ASSI { 1638}
(( segid "A " and resid 71 and name HD3 ))
(( segid "A " and resid 70 and name HN ))
5.100 3.300 0.900 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.23583E-03 ppm1 3.655 ppm2 8.138 CV 1
ASSI { 1639}
(( segid "A " and resid 61 and name HD3 ))
(( segid "A " and resid 60 and name HN ))
5.800 4.200 0.200 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.14967E-03 ppm1 3.569 ppm2 7.582 CV 1
ASSI { 1640}
(( segid "A " and resid 61 and name HD3 ))
(( segid "A " and resid 60 and name HA ))
2.900 1.000 1.000 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.30023E-02 ppm1 3.565 ppm2 4.702 CV 1
ASSI { 1641}
(( segid "A " and resid 61 and name HD3 ))
(( segid "A " and resid 60 and name HG2 ))
5.100 3.300 0.900 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.52608E-03 ppm1 3.561 ppm2 2.456 CV 1
OR { 1641}
(( segid "A " and resid 61 and name HD3 ))
(( segid "A " and resid 60 and name HG3 ))
ASSI { 1653}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 57 and name HN ))
6.000 4.700 0.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.14513E-03 ppm1 2.370 ppm2 8.317 CV 1
OR { 1653}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 57 and name HN ))
ASSI { 1667}
(( segid "A " and resid 60 and name HG2 ))
( segid "A " and resid 59 and name HD1%)
3.200 3.200 2.800 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.93882E-03 ppm1 2.474 ppm2 0.946 CV 1
OR { 1667}
(( segid "A " and resid 60 and name HG3 ))
( segid "A " and resid 59 and name HD1%)
ASSI { 1672}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 63 and name HB3 ))
4.100 2.100 1.900 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.19501E-03 ppm1 2.368 ppm2 3.926 CV 1
OR { 1672}
(( segid "A " and resid 64 and name HG2 ))
(( segid "A " and resid 63 and name HB2 ))
OR { 1672}
(( segid "A " and resid 64 and name HG3 ))
(( segid "A " and resid 63 and name HB2 ))
ASSI { 1710}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 54 and name HN ))
5.700 4.100 0.300 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.25398E-03 ppm1 1.816 ppm2 7.344 CV 1
OR { 1710}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 54 and name HN ))
ASSI { 1713}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 16 and name HN ))
6.000 5.000 0.000 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.14059E-03 ppm1 1.764 ppm2 8.151 CV 1
OR { 1713}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 16 and name HN ))
ASSI { 1743}
(( segid "A " and resid 16 and name HA ))
( segid "A " and resid 15 and name HB% )
3.900 1.900 1.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.10885E-02 ppm1 4.294 ppm2 1.549 CV 1
ASSI { 1744}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 42 and name HB3 ))
4.100 2.100 1.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.53970E-03 ppm1 4.281 ppm2 2.064 CV 1
ASSI { 1811}
(( segid "A " and resid 12 and name HA ))
( segid "A " and resid 11 and name HD1%)
2.800 1.000 1.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.52654E-02 ppm1 4.092 ppm2 0.885 CV 1
ASSI { 1827}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 42 and name HG3 ))
4.100 2.100 1.900 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.34014E-03 ppm1 4.283 ppm2 2.255 CV 1
ASSI { 1906}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 32 and name HA ))
6.000 4.900 0.000 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.58958E-04 ppm1 4.888 ppm2 5.245 CV 1
ASSI { 1916}
(( segid "A " and resid 34 and name HB3 ))
(( segid "A " and resid 33 and name HA ))
5.600 4.000 0.400 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.34921E-03 ppm1 1.969 ppm2 4.887 CV 1
OR { 1916}
(( segid "A " and resid 34 and name HB2 ))
(( segid "A " and resid 33 and name HA ))
ASSI { 1938}
( segid "A " and resid 36 and name HG1%)
(( segid "A " and resid 35 and name HA2 ))
3.800 1.800 1.800 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.94331E-03 ppm1 0.988 ppm2 4.307 CV 1
ASSI { 1939}
( segid "A " and resid 36 and name HG1%)
(( segid "A " and resid 35 and name HA1 ))
4.900 3.000 1.100 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.49888E-03 ppm1 0.987 ppm2 3.706 CV 1
ASSI { 1943}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 36 and name HB ))
3.800 1.800 1.800 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.86166E-03 ppm1 4.635 ppm2 1.989 CV 1
ASSI { 1962}
(( segid "A " and resid 39 and name HB2 ))
( segid "A " and resid 38 and name HG2%)
6.000 5.600 0.000 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.12245E-03 ppm1 2.421 ppm2 1.371 CV 1
OR { 1962}
(( segid "A " and resid 39 and name HB3 ))
( segid "A " and resid 38 and name HG2%)
ASSI { 1968}
(( segid "A " and resid 39 and name HD2 ))
( segid "A " and resid 38 and name HG2%)
4.400 2.400 1.600 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.92976E-03 ppm1 3.928 ppm2 1.379 CV 1
OR { 1968}
(( segid "A " and resid 39 and name HD3 ))
( segid "A " and resid 38 and name HG2%)
ASSI { 1995}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 20 and name HD2 ))
5.500 3.800 0.500 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.20862E-03 ppm1 0.931 ppm2 3.229 CV 1
OR { 1995}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 20 and name HD3 ))
ASSI { 2002}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 41 and name HG ))
5.600 3.900 0.400 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.24037E-03 ppm1 2.071 ppm2 1.478 CV 1
OR { 2002}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 41 and name HG ))
ASSI { 2009}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 42 and name HB3 ))
3.700 1.800 1.800 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 4.022 ppm2 2.068 CV 1
OR { 2009}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 2024}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 44 and name HN ))
5.600 4.000 0.400 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.24490E-03 ppm1 3.860 ppm2 8.008 CV 1
ASSI { 2025}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 44 and name HB2 ))
3.900 1.900 1.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.83449E-03 ppm1 3.864 ppm2 1.938 CV 1
OR { 2025}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 44 and name HB3 ))
ASSI { 2033}
(( segid "A " and resid 45 and name HG ))
(( segid "A " and resid 44 and name HN ))
5.300 3.600 0.700 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.24490E-03 ppm1 1.768 ppm2 8.036 CV 1
ASSI { 2050}
(( segid "A " and resid 50 and name HB3 ))
(( segid "A " and resid 49 and name HB2 ))
4.300 2.300 1.700 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.83449E-03 ppm1 3.189 ppm2 1.942 CV 1
OR { 2050}
(( segid "A " and resid 50 and name HB2 ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 2052}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 50 and name HB2 ))
6.000 5.000 0.000 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.13605E-03 ppm1 2.170 ppm2 3.213 CV 1
OR { 2052}
(( segid "A " and resid 51 and name HB3 ))
(( segid "A " and resid 50 and name HB2 ))
OR { 2052}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 50 and name HB3 ))
ASSI { 2078}
(( segid "A " and resid 52 and name HG ))
(( segid "A " and resid 51 and name HN ))
5.000 3.200 1.000 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.30840E-03 ppm1 1.795 ppm2 8.226 CV 1
ASSI { 2091}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 53 and name HN ))
4.700 2.700 1.300 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.68482E-03 ppm1 4.061 ppm2 8.512 CV 1
ASSI { 2095}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 54 and name HA ))
3.700 1.700 1.700 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.30477E-02 ppm1 1.821 ppm2 4.064 CV 1
OR { 2095}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 54 and name HA ))
ASSI { 2104}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 56 and name HN ))
5.700 4.000 0.300 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.27212E-03 ppm1 4.102 ppm2 8.659 CV 1
ASSI { 2135}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 71 and name HB2 ))
3.900 1.900 1.900 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.68482E-03 ppm1 4.114 ppm2 1.927 CV 1
ASSI { 2137}
(( segid "A " and resid 73 and name HA ))
( segid "A " and resid 72 and name HG1%)
4.700 2.800 1.300 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.22676E-03 ppm1 4.384 ppm2 0.947 CV 1
ASSI { 14}
(( segid "A " and resid 22 and name HD1 ))
( segid "A " and resid 23 and name HG1%)
3.900 1.900 1.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.17461E-02 ppm1 6.974 ppm2 0.934 CV 1
ASSI { 22}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 31 and name HA ))
3.700 1.700 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.14286E-02 ppm1 6.745 ppm2 4.719 CV 1
ASSI { 25}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 31 and name HN ))
2.900 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.18549E-02 ppm1 6.744 ppm2 8.967 CV 1
ASSI { 33}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 31 and name HN ))
3.300 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.60999E-02 ppm1 2.770 ppm2 8.967 CV 1
OR { 33}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 31 and name HN ))
ASSI { 36}
( segid "A " and resid 53 and name HD1%)
(( segid "A " and resid 54 and name HN ))
2.800 2.800 3.200 peak 36 spectrum 1 weight 0.10000E+01 volume 0.19501E-02 ppm1 0.796 ppm2 7.350 CV 1
ASSI { 39}
( segid "A " and resid 53 and name HD1%)
(( segid "A " and resid 54 and name HA ))
3.100 3.100 2.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.11293E-02 ppm1 0.796 ppm2 4.063 CV 1
ASSI { 46}
( segid "A " and resid 53 and name HG2%)
( segid "A " and resid 54 and name HB% )
3.700 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.20726E-02 ppm1 0.887 ppm2 1.510 CV 1
ASSI { 49}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 54 and name HA ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.50296E-02 ppm1 0.885 ppm2 4.063 CV 1
ASSI { 55}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 54 and name HN ))
3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.39139E-02 ppm1 0.884 ppm2 7.356 CV 1
ASSI { 92}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 23 and name HN ))
3.200 1.300 1.300 peak 92 spectrum 1 weight 0.10000E+01 volume 0.32926E-02 ppm1 6.975 ppm2 8.557 CV 1
ASSI { 114}
( segid "A " and resid 30 and name HE% )
(( segid "A " and resid 31 and name HB3 ))
4.000 2.000 2.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.19274E-02 ppm1 7.220 ppm2 2.232 CV 1
OR { 114}
( segid "A " and resid 30 and name HE% )
(( segid "A " and resid 31 and name HB2 ))
ASSI { 124}
(( segid "A " and resid 13 and name HE1 ))
(( segid "A " and resid 14 and name HN ))
3.900 1.900 1.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11157E-02 ppm1 6.587 ppm2 8.821 CV 1
ASSI { 126}
(( segid "A " and resid 13 and name HE1 ))
(( segid "A " and resid 14 and name HA ))
3.600 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 6.587 ppm2 3.749 CV 1
ASSI { 133}
(( segid "A " and resid 13 and name HE1 ))
( segid "A " and resid 14 and name HB% )
3.300 1.400 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 6.592 ppm2 1.430 CV 1
ASSI { 136}
(( segid "A " and resid 50 and name HE1 ))
(( segid "A " and resid 51 and name HG2 ))
4.500 2.500 1.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.87530E-03 ppm1 7.219 ppm2 2.344 CV 1
OR { 136}
(( segid "A " and resid 50 and name HE1 ))
(( segid "A " and resid 51 and name HG3 ))
ASSI { 148}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 31 and name HN ))
2.200 0.600 0.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.10885E-01 ppm1 5.851 ppm2 8.968 CV 1
ASSI { 160}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 22 and name HN ))
2.200 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.11147E-01 ppm1 5.585 ppm2 8.597 CV 1
ASSI { 167}
(( segid "A " and resid 20 and name HA ))
(( segid "A " and resid 21 and name HN ))
2.600 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.50115E-02 ppm1 5.070 ppm2 8.066 CV 1
ASSI { 174}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 49 and name HB3 ))
4.200 2.200 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 4.943 ppm2 1.999 CV 1
OR { 174}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 177}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 49 and name HA ))
3.700 1.700 1.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.22631E-02 ppm1 4.944 ppm2 3.900 CV 1
ASSI { 189}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 23 and name HN ))
2.100 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.14395E-01 ppm1 4.899 ppm2 8.554 CV 1
ASSI { 192}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 33 and name HB2 ))
4.800 2.900 1.200 peak 192 spectrum 1 weight 0.10000E+01 volume 0.12245E-02 ppm1 5.217 ppm2 2.573 CV 1
OR { 192}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 33 and name HB3 ))
ASSI { 197}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 33 and name HD3 ))
1.900 0.500 0.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.13887E-01 ppm1 5.217 ppm2 3.990 CV 1
ASSI { 201}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 20 and name HN ))
2.100 0.600 0.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.16036E-01 ppm1 4.247 ppm2 8.869 CV 1
ASSI { 222}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 35 and name HN ))
3.400 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.99777E-03 ppm1 4.397 ppm2 8.723 CV 1
ASSI { 226}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 51 and name HN ))
3.200 1.300 1.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.20363E-02 ppm1 4.317 ppm2 8.250 CV 1
ASSI { 235}
(( segid "A " and resid 50 and name HB2 ))
(( segid "A " and resid 51 and name HN ))
2.800 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.63539E-02 ppm1 3.189 ppm2 8.243 CV 1
OR { 235}
(( segid "A " and resid 50 and name HB3 ))
(( segid "A " and resid 51 and name HN ))
ASSI { 236}
(( segid "A " and resid 50 and name HB2 ))
(( segid "A " and resid 51 and name HA ))
4.000 2.000 2.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 3.189 ppm2 4.115 CV 1
OR { 236}
(( segid "A " and resid 50 and name HB3 ))
(( segid "A " and resid 51 and name HA ))
ASSI { 242}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 23 and name HN ))
2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.67439E-02 ppm1 3.252 ppm2 8.554 CV 1
OR { 242}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 23 and name HN ))
ASSI { 252}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 23 and name HB ))
4.400 2.500 1.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.13561E-02 ppm1 3.258 ppm2 1.914 CV 1
OR { 252}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 23 and name HB ))
ASSI { 255}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 27 and name HN ))
2.900 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.49208E-02 ppm1 4.236 ppm2 7.975 CV 1
ASSI { 256}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 10 and name HN ))
2.000 2.000 4.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.52523E-01 ppm1 4.218 ppm2 7.923 CV 1
ASSI { 262}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 12 and name HN ))
3.100 1.200 1.200 peak 262 spectrum 1 weight 0.10000E+01 volume 0.30704E-02 ppm1 3.900 ppm2 7.922 CV 1
ASSI { 272}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 46 and name HN ))
3.300 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.22631E-02 ppm1 3.859 ppm2 8.198 CV 1
ASSI { 278}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 37 and name HN ))
3.300 1.400 1.400 peak 278 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 3.932 ppm2 8.647 CV 1
ASSI { 288}
(( segid "A " and resid 21 and name HG ))
(( segid "A " and resid 22 and name HZ3 ))
4.100 2.100 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.96144E-03 ppm1 1.690 ppm2 6.748 CV 1
ASSI { 295}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 22 and name HN ))
3.400 1.500 1.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.19773E-02 ppm1 1.506 ppm2 8.598 CV 1
OR { 295}
(( segid "A " and resid 21 and name HB2 ))
(( segid "A " and resid 22 and name HN ))
ASSI { 375}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 46 and name HN ))
3.300 1.300 1.300 peak 375 spectrum 1 weight 0.10000E+01 volume 0.78460E-03 ppm1 0.404 ppm2 8.199 CV 1
ASSI { 390}
( segid "A " and resid 45 and name HD2%)
(( segid "A " and resid 46 and name HN ))
3.000 3.000 3.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 0.622 ppm2 8.198 CV 1
ASSI { 410}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 18 and name HN ))
4.100 2.100 1.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.26577E-02 ppm1 0.630 ppm2 7.843 CV 1
ASSI { 439}
(( segid "A " and resid 29 and name HA ))
(( segid "A " and resid 30 and name HN ))
3.200 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 4.348 ppm2 7.406 CV 1
ASSI { 440}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 34 and name HA ))
3.400 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.20952E-02 ppm1 4.886 ppm2 4.383 CV 1
ASSI { 452}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 34 and name HD3 ))
5.600 3.900 0.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.32200E-03 ppm1 3.248 ppm2 3.719 CV 1
ASSI { 467}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 34 and name HD3 ))
3.500 1.500 1.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.49888E-02 ppm1 2.633 ppm2 3.698 CV 1
OR { 467}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 34 and name HD3 ))
ASSI { 501}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 33 and name HD3 ))
3.200 1.200 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.78823E-02 ppm1 1.490 ppm2 3.982 CV 1
ASSI { 515}
(( segid "A " and resid 39 and name HD2 ))
(( segid "A " and resid 40 and name HN ))
3.300 1.400 1.400 peak 515 spectrum 1 weight 0.10000E+01 volume 0.17234E-02 ppm1 3.932 ppm2 8.468 CV 1
OR { 515}
(( segid "A " and resid 39 and name HD3 ))
(( segid "A " and resid 40 and name HN ))
ASSI { 529}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 16 and name HN ))
3.300 1.400 1.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.23583E-02 ppm1 4.478 ppm2 8.159 CV 1
ASSI { 541}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 29 and name HB2 ))
5.000 3.100 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.73017E-03 ppm1 4.488 ppm2 -0.464 CV 1
OR { 541}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 542}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 38 and name HN ))
2.400 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.97465E-02 ppm1 4.633 ppm2 7.322 CV 1
ASSI { 549}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 39 and name HD3 ))
2.400 0.700 0.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.86259E-02 ppm1 4.765 ppm2 3.929 CV 1
OR { 549}
(( segid "A " and resid 38 and name HA ))
(( segid "A " and resid 39 and name HD2 ))
ASSI { 557}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 39 and name HG2 ))
4.900 3.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.10340E-02 ppm1 1.373 ppm2 2.264 CV 1
OR { 557}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 39 and name HG3 ))
ASSI { 565}
(( segid "A " and resid 39 and name HG2 ))
(( segid "A " and resid 40 and name HN ))
4.800 2.900 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.59412E-03 ppm1 2.259 ppm2 8.461 CV 1
OR { 565}
(( segid "A " and resid 39 and name HG3 ))
(( segid "A " and resid 40 and name HN ))
ASSI { 567}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 40 and name HN ))
3.500 1.500 1.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.11837E-02 ppm1 2.419 ppm2 8.468 CV 1
OR { 567}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 40 and name HN ))
ASSI { 580}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 40 and name HN ))
3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 4.288 ppm2 8.469 CV 1
ASSI { 583}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name HN ))
2.700 0.900 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.71793E-02 ppm1 4.023 ppm2 8.023 CV 1
OR { 583}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 44 and name HN ))
ASSI { 587}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name HD3 ))
5.400 3.600 0.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.22223E-03 ppm1 4.028 ppm2 3.124 CV 1
OR { 587}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name HD2 ))
OR { 587}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 44 and name HD2 ))
ASSI { 589}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name HB2 ))
3.400 1.400 1.400 peak 589 spectrum 1 weight 0.10000E+01 volume 0.49434E-02 ppm1 4.023 ppm2 1.965 CV 1
OR { 589}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name HB3 ))
OR { 589}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 44 and name HB2 ))
ASSI { 590}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name HG2 ))
3.800 1.800 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 4.022 ppm2 1.689 CV 1
OR { 590}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 44 and name HG3 ))
OR { 590}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 44 and name HG2 ))
OR { 590}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 44 and name HG3 ))
ASSI { 601}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 49 and name HN ))
2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.56645E-02 ppm1 4.941 ppm2 7.214 CV 1
ASSI { 606}
(( segid "A " and resid 52 and name HA ))
( segid "A " and resid 53 and name HG2%)
2.200 2.200 3.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.72102E-01 ppm1 4.032 ppm2 0.904 CV 1
ASSI { 611}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 57 and name HN ))
3.100 1.200 1.200 peak 611 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 4.026 ppm2 8.315 CV 1
ASSI { 613}
( segid "A " and resid 10 and name HD1%)
(( segid "A " and resid 11 and name HN ))
3.100 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.78460E-02 ppm1 0.853 ppm2 8.349 CV 1
ASSI { 624}
(( segid "A " and resid 53 and name HA ))
( segid "A " and resid 54 and name HB% )
3.700 1.700 1.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.34876E-02 ppm1 3.501 ppm2 1.526 CV 1
ASSI { 628}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 54 and name HN ))
3.400 1.500 1.500 peak 628 spectrum 1 weight 0.10000E+01 volume 0.18640E-02 ppm1 3.501 ppm2 7.354 CV 1
ASSI { 631}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 11 and name HN ))
2.800 1.000 1.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.56464E-02 ppm1 4.186 ppm2 8.349 CV 1
ASSI { 644}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 58 and name HN ))
2.800 1.000 1.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.50160E-02 ppm1 4.103 ppm2 7.640 CV 1
ASSI { 646}
(( segid "A " and resid 64 and name HB2 ))
(( segid "A " and resid 65 and name HN ))
2.800 1.000 1.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.55692E-02 ppm1 2.177 ppm2 8.244 CV 1
OR { 646}
(( segid "A " and resid 64 and name HB3 ))
(( segid "A " and resid 65 and name HN ))
ASSI { 659}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 65 and name HN ))
3.200 1.300 1.300 peak 659 spectrum 1 weight 0.10000E+01 volume 0.22495E-02 ppm1 4.396 ppm2 8.321 CV 1
ASSI { 660}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 75 and name HN ))
3.100 1.200 1.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.29252E-02 ppm1 4.386 ppm2 8.043 CV 1
ASSI { 661}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 68 and name HN ))
3.000 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.31974E-02 ppm1 4.531 ppm2 8.337 CV 1
ASSI { 664}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 68 and name HB2 ))
4.000 2.000 2.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.16373E-02 ppm1 4.531 ppm2 1.619 CV 1
OR { 664}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 68 and name HB3 ))
ASSI { 666}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 68 and name HB2 ))
4.100 2.100 1.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.12018E-02 ppm1 3.760 ppm2 1.606 CV 1
OR { 666}
(( segid "A " and resid 67 and name HB2 ))
(( segid "A " and resid 68 and name HB2 ))
OR { 666}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 68 and name HB3 ))
OR { 666}
(( segid "A " and resid 67 and name HB2 ))
(( segid "A " and resid 68 and name HB3 ))
ASSI { 668}
(( segid "A " and resid 67 and name HB2 ))
(( segid "A " and resid 68 and name HN ))
4.500 2.600 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 3.763 ppm2 8.339 CV 1
OR { 668}
(( segid "A " and resid 67 and name HB3 ))
(( segid "A " and resid 68 and name HN ))
ASSI { 669}
(( segid "A " and resid 68 and name HB3 ))
(( segid "A " and resid 69 and name HN ))
2.900 1.000 1.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.67938E-02 ppm1 1.619 ppm2 8.166 CV 1
OR { 669}
(( segid "A " and resid 68 and name HB2 ))
(( segid "A " and resid 69 and name HN ))
ASSI { 671}
( segid "A " and resid 7 and name HB% )
(( segid "A " and resid 8 and name HN ))
2.800 1.000 1.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.53199E-02 ppm1 1.401 ppm2 8.458 CV 1
ASSI { 674}
( segid "A " and resid 70 and name HB% )
(( segid "A " and resid 71 and name HD3 ))
3.100 1.200 1.200 peak 674 spectrum 1 weight 0.10000E+01 volume 0.85531E-02 ppm1 1.366 ppm2 3.686 CV 1
OR { 674}
( segid "A " and resid 70 and name HB% )
(( segid "A " and resid 71 and name HD2 ))
ASSI { 679}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 42 and name HA ))
4.500 2.600 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.51248E-03 ppm1 1.981 ppm2 3.643 CV 1
OR { 679}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 42 and name HA ))
ASSI { 689}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 42 and name HN ))
2.800 1.000 1.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.45897E-02 ppm1 1.976 ppm2 8.627 CV 1
OR { 689}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 42 and name HN ))
ASSI { 703}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 53 and name HA ))
3.600 1.600 1.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.14558E-02 ppm1 1.986 ppm2 3.499 CV 1
OR { 703}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 53 and name HA ))
ASSI { 745}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 43 and name HA ))
3.900 1.900 1.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.96601E-03 ppm1 3.635 ppm2 4.293 CV 1
ASSI { 746}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 43 and name HB2 ))
4.300 2.400 1.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 3.632 ppm2 4.053 CV 1
OR { 746}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 43 and name HB3 ))
ASSI { 747}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 43 and name HN ))
3.100 1.200 1.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.30114E-02 ppm1 3.632 ppm2 8.235 CV 1
ASSI { 758}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 43 and name HN ))
2.600 0.800 0.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.66849E-02 ppm1 2.072 ppm2 8.252 CV 1
OR { 758}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 43 and name HN ))
ASSI { 771}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 43 and name HA ))
3.300 1.400 1.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 2.271 ppm2 4.291 CV 1
OR { 771}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 43 and name HA ))
ASSI { 773}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 43 and name HB2 ))
4.500 2.600 1.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.66215E-03 ppm1 2.211 ppm2 4.032 CV 1
OR { 773}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 43 and name HB3 ))
OR { 773}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 43 and name HB2 ))
ASSI { 780}
(( segid "A " and resid 42 and name HG3 ))
(( segid "A " and resid 43 and name HN ))
3.800 1.800 1.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 2.273 ppm2 8.242 CV 1
OR { 780}
(( segid "A " and resid 42 and name HG2 ))
(( segid "A " and resid 43 and name HN ))
ASSI { 793}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 15 and name HN ))
3.300 1.400 1.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.21361E-02 ppm1 3.746 ppm2 8.656 CV 1
ASSI { 804}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 15 and name HN ))
2.600 0.800 0.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.81453E-02 ppm1 1.408 ppm2 8.654 CV 1
ASSI { 815}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 31 and name HA ))
5.100 3.200 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.33561E-03 ppm1 5.848 ppm2 4.726 CV 1
ASSI { 817}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 31 and name HG2 ))
6.000 4.600 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.23130E-03 ppm1 5.848 ppm2 2.530 CV 1
OR { 817}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 850}
(( segid "A " and resid 8 and name HA1 ))
(( segid "A " and resid 9 and name HN ))
3.800 1.800 1.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.17461E-02 ppm1 3.554 ppm2 7.804 CV 1
ASSI { 851}
(( segid "A " and resid 8 and name HA2 ))
(( segid "A " and resid 9 and name HN ))
3.300 1.300 1.300 peak 851 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 3.789 ppm2 7.801 CV 1
ASSI { 855}
(( segid "A " and resid 8 and name HA1 ))
( segid "A " and resid 9 and name HB% )
3.900 1.900 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 3.555 ppm2 1.527 CV 1
ASSI { 858}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 55 and name HN ))
3.100 1.200 1.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.34287E-02 ppm1 4.056 ppm2 7.707 CV 1
ASSI { 861}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 56 and name HN ))
3.000 1.100 1.100 peak 861 spectrum 1 weight 0.10000E+01 volume 0.29252E-02 ppm1 4.148 ppm2 8.672 CV 1
ASSI { 865}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 12 and name HN ))
2.700 0.900 0.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.61135E-02 ppm1 1.877 ppm2 7.920 CV 1
OR { 865}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 12 and name HN ))
ASSI { 868}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 13 and name HN ))
3.100 1.200 1.200 peak 868 spectrum 1 weight 0.10000E+01 volume 0.37416E-02 ppm1 4.089 ppm2 8.355 CV 1
ASSI { 872}
( segid "A " and resid 12 and name HB% )
(( segid "A " and resid 13 and name HN ))
2.400 0.700 0.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.11696E-01 ppm1 1.535 ppm2 8.360 CV 1
ASSI { 873}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 29 and name HN ))
2.000 0.500 0.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.14894E-01 ppm1 4.484 ppm2 8.708 CV 1
ASSI { 879}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 14 and name HN ))
3.200 1.300 1.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.25669E-02 ppm1 4.426 ppm2 8.824 CV 1
ASSI { 891}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 42 and name HN ))
2.900 1.000 1.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.40182E-02 ppm1 4.100 ppm2 8.636 CV 1
ASSI { 898}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 41 and name HN ))
3.500 1.500 1.500 peak 898 spectrum 1 weight 0.10000E+01 volume 0.16916E-02 ppm1 4.059 ppm2 7.839 CV 1
ASSI { 902}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 52 and name HN ))
3.100 1.200 1.200 peak 902 spectrum 1 weight 0.10000E+01 volume 0.30613E-02 ppm1 4.153 ppm2 8.640 CV 1
ASSI { 910}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 50 and name HN ))
2.400 2.400 3.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.15959E-01 ppm1 3.876 ppm2 8.538 CV 1
ASSI { 919}
(( segid "A " and resid 13 and name HB3 ))
(( segid "A " and resid 14 and name HN ))
3.000 1.200 1.200 peak 919 spectrum 1 weight 0.10000E+01 volume 0.47166E-02 ppm1 3.273 ppm2 8.824 CV 1
OR { 919}
(( segid "A " and resid 13 and name HB2 ))
(( segid "A " and resid 14 and name HN ))
ASSI { 922}
(( segid "A " and resid 13 and name HB2 ))
(( segid "A " and resid 14 and name HA ))
4.900 3.000 1.100 peak 922 spectrum 1 weight 0.10000E+01 volume 0.39003E-03 ppm1 3.272 ppm2 3.765 CV 1
OR { 922}
(( segid "A " and resid 13 and name HB3 ))
(( segid "A " and resid 14 and name HA ))
ASSI { 940}
(( segid "A " and resid 16 and name HB3 ))
(( segid "A " and resid 17 and name HN ))
3.000 1.100 1.100 peak 940 spectrum 1 weight 0.10000E+01 volume 0.35601E-02 ppm1 4.117 ppm2 7.319 CV 1
OR { 940}
(( segid "A " and resid 16 and name HB2 ))
(( segid "A " and resid 17 and name HN ))
ASSI { 944}
(( segid "A " and resid 16 and name HB3 ))
( segid "A " and resid 17 and name HD1%)
4.800 2.900 1.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.57597E-03 ppm1 4.124 ppm2 0.636 CV 1
OR { 944}
(( segid "A " and resid 16 and name HB2 ))
( segid "A " and resid 17 and name HD1%)
ASSI { 981}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 54 and name HA ))
3.800 1.800 1.800 peak 981 spectrum 1 weight 0.10000E+01 volume 0.17597E-02 ppm1 1.867 ppm2 4.069 CV 1
ASSI { 985}
(( segid "A " and resid 53 and name HB ))
( segid "A " and resid 54 and name HB% )
3.900 1.900 1.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.21179E-02 ppm1 1.867 ppm2 1.503 CV 1
ASSI { 987}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 54 and name HN ))
2.500 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.60365E-02 ppm1 1.868 ppm2 7.354 CV 1
ASSI { 1004}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 57 and name HN ))
3.400 1.500 1.500 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.20227E-02 ppm1 1.542 ppm2 8.328 CV 1
OR { 1004}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 57 and name HN ))
ASSI { 1021}
(( segid "A " and resid 75 and name HB3 ))
(( segid "A " and resid 76 and name HN ))
3.200 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.29116E-02 ppm1 2.799 ppm2 8.145 CV 1
OR { 1021}
(( segid "A " and resid 75 and name HB2 ))
(( segid "A " and resid 76 and name HN ))
ASSI { 1024}
(( segid "A " and resid 70 and name HA ))
(( segid "A " and resid 71 and name HD3 ))
2.000 0.500 0.500 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.22050E-01 ppm1 4.604 ppm2 3.711 CV 1
OR { 1024}
(( segid "A " and resid 70 and name HA ))
(( segid "A " and resid 71 and name HD2 ))
ASSI { 1048}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 20 and name HN ))
3.600 1.600 1.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.24037E-02 ppm1 1.902 ppm2 8.862 CV 1
ASSI { 1057}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 20 and name HN ))
2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.98278E-02 ppm1 0.854 ppm2 8.877 CV 1
ASSI { 1069}
(( segid "A " and resid 25 and name HA1 ))
(( segid "A " and resid 26 and name HN ))
3.700 1.700 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.39683E-02 ppm1 4.007 ppm2 8.805 CV 1
ASSI { 1075}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 22 and name HB3 ))
4.900 3.000 1.100 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.50795E-03 ppm1 5.583 ppm2 3.420 CV 1
OR { 1075}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 22 and name HB2 ))
ASSI { 1085}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 22 and name HA ))
3.800 1.800 1.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.79367E-03 ppm1 1.600 ppm2 4.919 CV 1
OR { 1085}
(( segid "A " and resid 21 and name HB2 ))
(( segid "A " and resid 22 and name HA ))
ASSI { 1092}
(( segid "A " and resid 21 and name HG ))
(( segid "A " and resid 22 and name HE3 ))
5.100 3.200 0.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.47620E-03 ppm1 1.695 ppm2 7.096 CV 1
ASSI { 1105}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 57 and name HN ))
4.500 2.500 1.500 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.87530E-03 ppm1 0.707 ppm2 8.323 CV 1
ASSI { 1125}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 57 and name HN ))
4.200 2.300 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.97507E-03 ppm1 1.001 ppm2 8.329 CV 1
ASSI { 1133}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 24 and name HN ))
2.300 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.90435E-02 ppm1 4.758 ppm2 8.633 CV 1
ASSI { 1163}
(( segid "A " and resid 25 and name HA1 ))
(( segid "A " and resid 26 and name HA ))
3.900 1.900 1.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.12835E-02 ppm1 4.007 ppm2 4.256 CV 1
ASSI { 1173}
(( segid "A " and resid 26 and name HG3 ))
(( segid "A " and resid 27 and name HN ))
3.600 1.700 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.18322E-02 ppm1 2.301 ppm2 7.986 CV 1
ASSI { 1176}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 28 and name HN ))
2.100 0.600 0.600 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.15452E-01 ppm1 4.570 ppm2 8.421 CV 1
ASSI { 1182}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 28 and name HB3 ))
4.300 2.300 1.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 4.570 ppm2 1.283 CV 1
OR { 1182}
(( segid "A " and resid 27 and name HA ))
(( segid "A " and resid 28 and name HB2 ))
ASSI { 1183}
(( segid "A " and resid 27 and name HA ))
( segid "A " and resid 28 and name HD1%)
3.400 3.400 2.600 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.71294E-02 ppm1 4.569 ppm2 0.820 CV 1
OR { 1183}
(( segid "A " and resid 27 and name HA ))
( segid "A " and resid 28 and name HD2%)
ASSI { 1186}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 28 and name HN ))
3.600 1.600 1.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.26894E-02 ppm1 1.740 ppm2 8.423 CV 1
OR { 1186}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 28 and name HN ))
ASSI { 1193}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 28 and name HN ))
2.800 0.900 0.900 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.38232E-02 ppm1 1.616 ppm2 8.395 CV 1
OR { 1193}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 28 and name HN ))
ASSI { 1197}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 29 and name HN ))
4.000 2.000 2.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.16599E-02 ppm1 1.275 ppm2 8.704 CV 1
OR { 1197}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 29 and name HN ))
ASSI { 1204}
(( segid "A " and resid 28 and name HG ))
(( segid "A " and resid 29 and name HN ))
3.300 1.400 1.400 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.25126E-02 ppm1 1.431 ppm2 8.699 CV 1
ASSI { 1208}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 29 and name HN ))
2.400 0.700 0.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.93747E-02 ppm1 0.800 ppm2 8.690 CV 1
ASSI { 1224}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 29 and name HB2 ))
5.800 4.200 0.200 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.17234E-03 ppm1 0.799 ppm2 -0.489 CV 1
OR { 1224}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 29 and name HB3 ))
ASSI { 1226}
(( segid "A " and resid 53 and name HG13))
(( segid "A " and resid 54 and name HN ))
4.700 2.800 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.68029E-03 ppm1 0.800 ppm2 7.347 CV 1
ASSI { 1228}
(( segid "A " and resid 53 and name HG12))
(( segid "A " and resid 54 and name HN ))
4.400 2.400 1.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.16962E-02 ppm1 1.889 ppm2 7.354 CV 1
ASSI { 1237}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 50 and name HN ))
3.000 1.100 1.100 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.14740E-02 ppm1 1.330 ppm2 8.536 CV 1
OR { 1237}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 50 and name HN ))
ASSI { 1246}
(( segid "A " and resid 41 and name HG ))
(( segid "A " and resid 42 and name HN ))
3.600 1.600 1.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 1.482 ppm2 8.630 CV 1
ASSI { 1261}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 58 and name HN ))
3.900 1.900 1.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.16780E-02 ppm1 1.967 ppm2 7.652 CV 1
OR { 1261}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 58 and name HN ))
ASSI { 1268}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 21 and name HN ))
4.600 2.600 1.400 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.97050E-03 ppm1 1.796 ppm2 8.063 CV 1
OR { 1268}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 21 and name HN ))
ASSI { 1280}
(( segid "A " and resid 44 and name HG3 ))
(( segid "A " and resid 45 and name HN ))
3.700 1.700 1.700 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.18866E-02 ppm1 1.948 ppm2 8.423 CV 1
OR { 1280}
(( segid "A " and resid 44 and name HG2 ))
(( segid "A " and resid 45 and name HN ))
ASSI { 1284}
(( segid "A " and resid 72 and name HB ))
(( segid "A " and resid 73 and name HN ))
4.500 2.500 1.500 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.70750E-03 ppm1 2.078 ppm2 8.333 CV 1
ASSI { 1302}
(( segid "A " and resid 37 and name HG3 ))
(( segid "A " and resid 38 and name HN ))
3.500 1.500 1.500 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.31883E-02 ppm1 2.517 ppm2 7.269 CV 1
OR { 1302}
(( segid "A " and resid 37 and name HG2 ))
(( segid "A " and resid 38 and name HN ))
ASSI { 1327}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 21 and name HN ))
3.700 1.700 1.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.13379E-02 ppm1 1.978 ppm2 8.053 CV 1
OR { 1327}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 21 and name HN ))
ASSI { 1343}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 21 and name HN ))
4.000 2.000 2.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.24400E-02 ppm1 3.231 ppm2 8.065 CV 1
OR { 1343}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 21 and name HN ))
ASSI { 1346}
(( segid "A " and resid 1 and name HA2 ))
(( segid "A " and resid 2 and name HD3 ))
2.300 0.600 0.600 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.16350E-01 ppm1 4.005 ppm2 3.592 CV 1
OR { 1346}
(( segid "A " and resid 1 and name HA1 ))
(( segid "A " and resid 2 and name HD3 ))
OR { 1346}
(( segid "A " and resid 1 and name HA2 ))
(( segid "A " and resid 2 and name HD2 ))
OR { 1346}
(( segid "A " and resid 1 and name HA1 ))
(( segid "A " and resid 2 and name HD2 ))
ASSI { 1347}
(( segid "A " and resid 1 and name HA2 ))
(( segid "A " and resid 2 and name HB3 ))
4.800 2.900 1.200 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.77553E-03 ppm1 4.004 ppm2 2.021 CV 1
OR { 1347}
(( segid "A " and resid 1 and name HA2 ))
(( segid "A " and resid 2 and name HB2 ))
OR { 1347}
(( segid "A " and resid 1 and name HA1 ))
(( segid "A " and resid 2 and name HB3 ))
OR { 1347}
(( segid "A " and resid 1 and name HA1 ))
(( segid "A " and resid 2 and name HB2 ))
ASSI { 1368}
(( segid "A " and resid 6 and name HB3 ))
(( segid "A " and resid 7 and name HN ))
4.700 2.800 1.300 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.33107E-03 ppm1 4.003 ppm2 8.729 CV 1
OR { 1368}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 7 and name HN ))
ASSI { 1376}
(( segid "A " and resid 63 and name HB2 ))
(( segid "A " and resid 64 and name HE22))
5.800 4.300 0.200 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.14513E-03 ppm1 3.932 ppm2 7.419 CV 1
OR { 1376}
(( segid "A " and resid 63 and name HB3 ))
(( segid "A " and resid 64 and name HE22))
ASSI { 1379}
( segid "A " and resid 72 and name HG1%)
(( segid "A " and resid 73 and name HN ))
4.000 2.000 2.000 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.86166E-03 ppm1 0.970 ppm2 8.329 CV 1
ASSI { 1383}
( segid "A " and resid 11 and name HD2%)
(( segid "A " and resid 12 and name HN ))
3.900 1.900 1.900 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.17687E-02 ppm1 0.959 ppm2 7.923 CV 1
ASSI { 1389}
( segid "A " and resid 55 and name HD2%)
(( segid "A " and resid 56 and name HN ))
2.500 2.500 3.500 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.35738E-02 ppm1 0.893 ppm2 8.665 CV 1
ASSI { 1392}
( segid "A " and resid 11 and name HD1%)
(( segid "A " and resid 12 and name HN ))
3.000 1.200 1.200 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.43175E-02 ppm1 0.895 ppm2 7.918 CV 1
ASSI { 1412}
(( segid "A " and resid 11 and name HG ))
(( segid "A " and resid 12 and name HN ))
3.800 1.800 1.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.29252E-02 ppm1 1.711 ppm2 7.928 CV 1
ASSI { 1423}
(( segid "A " and resid 56 and name HG ))
(( segid "A " and resid 57 and name HN ))
3.300 1.400 1.400 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.11565E-02 ppm1 1.858 ppm2 8.323 CV 1
ASSI { 1454}
(( segid "A " and resid 18 and name HA1 ))
( segid "A " and resid 19 and name HG2%)
4.000 2.000 2.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.24762E-02 ppm1 4.302 ppm2 0.874 CV 1
ASSI { 1455}
(( segid "A " and resid 18 and name HA2 ))
( segid "A " and resid 19 and name HG2%)
3.800 1.800 1.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.20227E-02 ppm1 3.711 ppm2 0.873 CV 1
ASSI { 1462}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 32 and name HA ))
4.300 2.300 1.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.55784E-03 ppm1 2.274 ppm2 5.205 CV 1
OR { 1462}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 32 and name HA ))
ASSI { 1467}
(( segid "A " and resid 31 and name HB3 ))
( segid "A " and resid 32 and name HB% )
4.500 2.500 1.500 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.67575E-03 ppm1 2.274 ppm2 1.488 CV 1
OR { 1467}
(( segid "A " and resid 31 and name HB2 ))
( segid "A " and resid 32 and name HB% )
ASSI { 1473}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 32 and name HN ))
3.800 1.900 1.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.11202E-02 ppm1 2.556 ppm2 9.087 CV 1
OR { 1473}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 32 and name HN ))
ASSI { 1474}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 32 and name HA ))
4.500 2.600 1.500 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.24944E-03 ppm1 2.557 ppm2 5.207 CV 1
OR { 1474}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 32 and name HA ))
ASSI { 1480}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 18 and name HN ))
2.800 1.000 1.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.47348E-02 ppm1 4.357 ppm2 7.873 CV 1
ASSI { 1481}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 18 and name HA2 ))
3.700 1.700 1.700 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.11157E-02 ppm1 4.358 ppm2 3.729 CV 1
ASSI { 1493}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 46 and name HN ))
3.000 1.100 1.100 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.28254E-02 ppm1 0.991 ppm2 8.189 CV 1
OR { 1493}
(( segid "A " and resid 45 and name HB3 ))
(( segid "A " and resid 46 and name HN ))
ASSI { 1501}
(( segid "A " and resid 57 and name HB3 ))
(( segid "A " and resid 58 and name HN ))
2.900 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.43447E-02 ppm1 1.961 ppm2 7.651 CV 1
OR { 1501}
(( segid "A " and resid 57 and name HB2 ))
(( segid "A " and resid 58 and name HN ))
ASSI { 1509}
( segid "A " and resid 7 and name HB% )
(( segid "A " and resid 8 and name HA1 ))
3.800 1.900 1.900 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 1.399 ppm2 3.555 CV 1
ASSI { 1514}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 50 and name HD2 ))
4.300 2.300 1.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.78006E-03 ppm1 3.304 ppm2 8.092 CV 1
ASSI { 1518}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 50 and name HA ))
4.600 2.600 1.400 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.99777E-03 ppm1 3.307 ppm2 4.338 CV 1
ASSI { 1531}
(( segid "A " and resid 50 and name HE1 ))
(( segid "A " and resid 51 and name HA ))
5.300 3.600 0.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.39457E-03 ppm1 7.219 ppm2 4.141 CV 1
ASSI { 1533}
(( segid "A " and resid 50 and name HE1 ))
(( segid "A " and resid 51 and name HN ))
5.700 4.100 0.300 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.14059E-03 ppm1 7.221 ppm2 8.243 CV 1
ASSI { 1569}
(( segid "A " and resid 76 and name HA2 ))
(( segid "A " and resid 77 and name HG2 ))
5.900 4.400 0.100 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.15420E-03 ppm1 3.862 ppm2 1.634 CV 1
OR { 1569}
(( segid "A " and resid 76 and name HA2 ))
(( segid "A " and resid 77 and name HG3 ))
ASSI { 1597}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 74 and name HB2 ))
5.500 3.800 0.500 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.20409E-03 ppm1 4.388 ppm2 1.921 CV 1
OR { 1597}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 74 and name HB3 ))
ASSI { 1603}
(( segid "A " and resid 63 and name HB3 ))
(( segid "A " and resid 64 and name HB2 ))
6.000 6.000 0.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.31747E-04 ppm1 3.934 ppm2 1.989 CV 1
OR { 1603}
(( segid "A " and resid 63 and name HB3 ))
(( segid "A " and resid 64 and name HB3 ))
OR { 1603}
(( segid "A " and resid 63 and name HB2 ))
(( segid "A " and resid 64 and name HB2 ))
OR { 1603}
(( segid "A " and resid 63 and name HB2 ))
(( segid "A " and resid 64 and name HB3 ))
ASSI { 1607}
(( segid "A " and resid 45 and name HG ))
(( segid "A " and resid 46 and name HN ))
5.200 3.400 0.800 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.33107E-03 ppm1 1.774 ppm2 8.197 CV 1
ASSI { 1622}
(( segid "A " and resid 47 and name HA1 ))
( segid "A " and resid 48 and name HB% )
5.400 3.700 0.600 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.34468E-03 ppm1 4.076 ppm2 1.393 CV 1
OR { 1622}
(( segid "A " and resid 47 and name HA2 ))
( segid "A " and resid 48 and name HB% )
ASSI { 1623}
(( segid "A " and resid 47 and name HA1 ))
( segid "A " and resid 48 and name HB% )
5.400 3.600 0.600 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.36736E-03 ppm1 3.944 ppm2 1.393 CV 1
ASSI { 1627}
(( segid "A " and resid 47 and name HA1 ))
(( segid "A " and resid 48 and name HA ))
5.200 3.400 0.800 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.21316E-03 ppm1 3.945 ppm2 4.946 CV 1
ASSI { 1628}
(( segid "A " and resid 47 and name HA2 ))
(( segid "A " and resid 48 and name HN ))
4.000 2.000 2.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.10885E-02 ppm1 4.075 ppm2 7.308 CV 1
ASSI { 1629}
(( segid "A " and resid 47 and name HA1 ))
(( segid "A " and resid 48 and name HN ))
3.700 1.700 1.700 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.10839E-02 ppm1 3.942 ppm2 7.307 CV 1
ASSI { 1646}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 4 and name HN ))
4.500 2.500 1.500 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.30386E-03 ppm1 4.336 ppm2 8.413 CV 1
ASSI { 1655}
(( segid "A " and resid 26 and name HB3 ))
(( segid "A " and resid 27 and name HN ))
5.000 3.200 1.000 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.33561E-03 ppm1 2.319 ppm2 7.981 CV 1
OR { 1655}
(( segid "A " and resid 26 and name HB2 ))
(( segid "A " and resid 27 and name HN ))
ASSI { 1661}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 41 and name HN ))
4.300 2.300 1.700 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.68029E-03 ppm1 2.299 ppm2 7.842 CV 1
OR { 1661}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 41 and name HN ))
ASSI { 1685}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 45 and name HN ))
4.100 2.100 1.900 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.19501E-03 ppm1 3.106 ppm2 8.418 CV 1
ASSI { 1687}
(( segid "A " and resid 57 and name HD3 ))
(( segid "A " and resid 58 and name HN ))
3.600 1.600 1.600 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.41270E-03 ppm1 3.178 ppm2 7.652 CV 1
OR { 1687}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 58 and name HN ))
ASSI { 1699}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 28 and name HB3 ))
2.800 1.000 1.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.12050E-01 ppm1 3.183 ppm2 1.699 CV 1
OR { 1699}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 28 and name HB2 ))
OR { 1699}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 28 and name HB3 ))
ASSI { 1701}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 28 and name HN ))
3.600 1.600 1.600 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.83902E-03 ppm1 3.189 ppm2 8.399 CV 1
OR { 1701}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 28 and name HN ))
ASSI { 1707}
(( segid "A " and resid 55 and name HB3 ))
(( segid "A " and resid 56 and name HN ))
3.300 1.400 1.400 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 1.818 ppm2 8.671 CV 1
OR { 1707}
(( segid "A " and resid 55 and name HB2 ))
(( segid "A " and resid 56 and name HN ))
ASSI { 1726}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 22 and name HA ))
5.400 3.700 0.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.26758E-03 ppm1 0.866 ppm2 4.918 CV 1
ASSI { 1742}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 44 and name HG2 ))
4.900 2.900 1.100 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.54423E-03 ppm1 4.289 ppm2 1.696 CV 1
OR { 1742}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 44 and name HG3 ))
ASSI { 1747}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 17 and name HN ))
3.800 1.800 1.800 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.92070E-03 ppm1 4.292 ppm2 7.316 CV 1
ASSI { 1756}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 42 and name HG2 ))
5.700 4.100 0.300 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.29932E-03 ppm1 1.984 ppm2 2.253 CV 1
OR { 1756}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 42 and name HG3 ))
OR { 1756}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 42 and name HG2 ))
ASSI { 1761}
( segid "A " and resid 7 and name HB% )
(( segid "A " and resid 8 and name HA2 ))
4.800 2.900 1.200 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.73471E-03 ppm1 1.402 ppm2 3.831 CV 1
ASSI { 1764}
(( segid "A " and resid 51 and name HG3 ))
( segid "A " and resid 52 and name HD2%)
4.200 2.200 1.800 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.74831E-03 ppm1 2.431 ppm2 0.869 CV 1
OR { 1764}
(( segid "A " and resid 51 and name HG2 ))
( segid "A " and resid 52 and name HD2%)
ASSI { 1765}
(( segid "A " and resid 51 and name HG3 ))
( segid "A " and resid 52 and name HD1%)
4.700 2.800 1.300 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.75285E-03 ppm1 2.323 ppm2 0.869 CV 1
OR { 1765}
(( segid "A " and resid 51 and name HG2 ))
( segid "A " and resid 52 and name HD1%)
ASSI { 1781}
( segid "A " and resid 9 and name HB% )
(( segid "A " and resid 10 and name HN ))
2.800 1.000 1.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.47937E-02 ppm1 1.498 ppm2 7.920 CV 1
ASSI { 1783}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 10 and name HB3 ))
5.700 4.000 0.300 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.27665E-03 ppm1 4.218 ppm2 1.758 CV 1
OR { 1783}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 1789}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 11 and name HN ))
2.900 1.100 1.100 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.29751E-02 ppm1 1.746 ppm2 8.348 CV 1
OR { 1789}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 11 and name HN ))
ASSI { 1800}
(( segid "A " and resid 10 and name HG ))
(( segid "A " and resid 11 and name HN ))
3.900 1.900 1.900 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.72111E-03 ppm1 1.557 ppm2 8.341 CV 1
ASSI { 1802}
(( segid "A " and resid 10 and name HG ))
(( segid "A " and resid 11 and name HA ))
3.800 1.800 1.800 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.58051E-03 ppm1 1.558 ppm2 3.890 CV 1
ASSI { 1810}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 13 and name HB3 ))
5.700 4.100 0.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.31294E-03 ppm1 4.090 ppm2 3.278 CV 1
OR { 1810}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 1814}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 16 and name HN ))
3.200 1.300 1.300 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.26486E-02 ppm1 1.542 ppm2 8.160 CV 1
ASSI { 1819}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 16 and name HB2 ))
6.000 5.700 0.000 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.86166E-04 ppm1 4.480 ppm2 4.116 CV 1
OR { 1819}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 16 and name HB3 ))
ASSI { 1841}
(( segid "A " and resid 33 and name HG3 ))
(( segid "A " and resid 34 and name HD3 ))
5.500 3.800 0.500 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.72111E-03 ppm1 2.289 ppm2 3.704 CV 1
OR { 1841}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 34 and name HD3 ))
ASSI { 1849}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 20 and name HN ))
4.700 2.800 1.300 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 0.868 ppm2 8.855 CV 1
ASSI { 1886}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 31 and name HB3 ))
6.000 4.900 0.000 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.11338E-03 ppm1 2.778 ppm2 2.273 CV 1
OR { 1886}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 31 and name HB3 ))
OR { 1886}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 31 and name HB2 ))
OR { 1886}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 31 and name HB2 ))
ASSI { 1889}
(( segid "A " and resid 31 and name HA ))
(( segid "A " and resid 32 and name HN ))
4.600 2.600 1.400 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.19955E-03 ppm1 4.734 ppm2 9.114 CV 1
ASSI { 1894}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 32 and name HN ))
5.400 3.700 0.600 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.37643E-03 ppm1 2.275 ppm2 9.128 CV 1
OR { 1894}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 32 and name HN ))
ASSI { 1895}
(( segid "A " and resid 31 and name HG3 ))
( segid "A " and resid 32 and name HB% )
4.800 2.800 1.200 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.44899E-03 ppm1 2.557 ppm2 1.507 CV 1
OR { 1895}
(( segid "A " and resid 31 and name HG2 ))
( segid "A " and resid 32 and name HB% )
ASSI { 1919}
(( segid "A " and resid 71 and name HD3 ))
(( segid "A " and resid 72 and name HB ))
3.600 3.600 2.400 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.45080E-02 ppm1 3.655 ppm2 2.031 CV 1
ASSI { 1924}
(( segid "A " and resid 35 and name HA2 ))
(( segid "A " and resid 36 and name HN ))
3.700 1.800 1.800 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.93425E-03 ppm1 4.224 ppm2 7.433 CV 1
ASSI { 1925}
(( segid "A " and resid 35 and name HA1 ))
(( segid "A " and resid 36 and name HN ))
3.900 1.900 1.900 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.78006E-03 ppm1 3.779 ppm2 7.433 CV 1
ASSI { 1937}
( segid "A " and resid 36 and name HG1%)
(( segid "A " and resid 37 and name HN ))
4.600 2.600 1.400 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 1.003 ppm2 8.644 CV 1
ASSI { 1944}
(( segid "A " and resid 37 and name HA ))
( segid "A " and resid 38 and name HG2%)
5.000 3.100 1.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.57597E-03 ppm1 4.633 ppm2 1.411 CV 1
ASSI { 1950}
(( segid "A " and resid 51 and name HB3 ))
( segid "A " and resid 52 and name HD2%)
4.100 2.100 1.900 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.11837E-02 ppm1 2.176 ppm2 0.874 CV 1
OR { 1950}
(( segid "A " and resid 51 and name HB2 ))
( segid "A " and resid 52 and name HD2%)
ASSI { 1952}
(( segid "A " and resid 60 and name HB3 ))
(( segid "A " and resid 61 and name HD3 ))
4.200 2.200 1.800 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.18095E-02 ppm1 2.167 ppm2 3.555 CV 1
OR { 1952}
(( segid "A " and resid 60 and name HB2 ))
(( segid "A " and resid 61 and name HD3 ))
ASSI { 1969}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 43 and name HB2 ))
4.000 2.000 2.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 2.071 ppm2 4.033 CV 1
OR { 1969}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 43 and name HB3 ))
OR { 1969}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 43 and name HB2 ))
ASSI { 1973}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 41 and name HN ))
3.500 1.600 1.600 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.98871E-03 ppm1 2.123 ppm2 7.842 CV 1
OR { 1973}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 41 and name HN ))
ASSI { 1990}
( segid "A " and resid 41 and name HD1%)
(( segid "A " and resid 42 and name HN ))
4.400 2.400 1.600 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.16281E-02 ppm1 0.969 ppm2 8.644 CV 1
ASSI { 2006}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 44 and name HN ))
3.800 1.800 1.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.96601E-03 ppm1 4.280 ppm2 8.018 CV 1
ASSI { 2013}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 45 and name HN ))
3.400 1.400 1.400 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.19139E-02 ppm1 4.121 ppm2 8.404 CV 1
ASSI { 2017}
(( segid "A " and resid 44 and name HA ))
( segid "A " and resid 45 and name HD2%)
6.000 4.700 0.000 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.14513E-03 ppm1 4.118 ppm2 0.619 CV 1
ASSI { 2019}
(( segid "A " and resid 44 and name HB2 ))
( segid "A " and resid 45 and name HD2%)
5.800 4.200 0.200 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.11338E-03 ppm1 1.958 ppm2 0.602 CV 1
OR { 2019}
(( segid "A " and resid 44 and name HB3 ))
( segid "A " and resid 45 and name HD2%)
ASSI { 2020}
(( segid "A " and resid 44 and name HB2 ))
( segid "A " and resid 45 and name HD1%)
6.000 5.000 0.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.10885E-03 ppm1 1.968 ppm2 0.409 CV 1
OR { 2020}
(( segid "A " and resid 44 and name HB3 ))
( segid "A " and resid 45 and name HD1%)
ASSI { 2049}
(( segid "A " and resid 49 and name HD3 ))
(( segid "A " and resid 50 and name HN ))
6.000 4.700 0.000 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.22676E-03 ppm1 3.313 ppm2 8.551 CV 1
ASSI { 2051}
(( segid "A " and resid 51 and name HA ))
( segid "A " and resid 52 and name HD2%)
4.500 2.500 1.500 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.97507E-03 ppm1 4.151 ppm2 0.865 CV 1
ASSI { 2068}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 52 and name HN ))
4.300 2.300 1.700 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.57144E-03 ppm1 2.324 ppm2 8.642 CV 1
OR { 2068}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 52 and name HN ))
ASSI { 2083}
(( segid "A " and resid 53 and name HG13))
( segid "A " and resid 54 and name HB% )
5.900 4.300 0.100 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.30840E-03 ppm1 0.800 ppm2 1.467 CV 1
ASSI { 2111}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 58 and name HG2 ))
5.600 3.900 0.400 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.20409E-03 ppm1 1.723 ppm2 2.500 CV 1
OR { 2111}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 58 and name HG2 ))
OR { 2111}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 58 and name HG3 ))
OR { 2111}
(( segid "A " and resid 57 and name HG3 ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 2127}
(( segid "A " and resid 71 and name HA ))
( segid "A " and resid 72 and name HG1%)
4.200 2.200 1.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.87530E-03 ppm1 4.471 ppm2 0.946 CV 1
OR { 2127}
(( segid "A " and resid 71 and name HA ))
( segid "A " and resid 72 and name HG2%)
ASSI { 2128}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 72 and name HN ))
2.900 1.000 1.000 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.47212E-02 ppm1 4.470 ppm2 8.090 CV 1
ASSI { 2129}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 3 and name HN ))
4.400 2.400 1.600 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.34468E-03 ppm1 4.483 ppm2 8.534 CV 1
ASSI { 2131}
(( segid "A " and resid 71 and name HB2 ))
(( segid "A " and resid 72 and name HN ))
4.300 2.300 1.700 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.44899E-03 ppm1 2.283 ppm2 8.090 CV 1
OR { 2131}
(( segid "A " and resid 71 and name HB3 ))
(( segid "A " and resid 72 and name HN ))
ASSI { 2133}
(( segid "A " and resid 72 and name HA ))
( segid "A " and resid 73 and name HB% )
4.900 3.000 1.100 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.53062E-03 ppm1 4.107 ppm2 1.418 CV 1
ASSI { 2141}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 75 and name HA ))
4.200 2.200 1.800 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.86166E-03 ppm1 1.780 ppm2 4.553 CV 1
OR { 2141}
(( segid "A " and resid 74 and name HB2 ))
(( segid "A " and resid 75 and name HA ))
ASSI { 2143}
(( segid "A " and resid 74 and name HB3 ))
(( segid "A " and resid 75 and name HN ))
4.400 2.500 1.600 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.44445E-03 ppm1 1.779 ppm2 8.065 CV 1
OR { 2143}
(( segid "A " and resid 74 and name HB2 ))
(( segid "A " and resid 75 and name HN ))
ASSI { 3}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 37 and name HN ))
3.900 1.900 1.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 1.490 ppm2 8.647 CV 1
ASSI { 5}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 36 and name HN ))
4.600 2.600 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.10162E-02 ppm1 1.490 ppm2 7.430 CV 1
ASSI { 11}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 24 and name HG2 ))
3.900 1.900 1.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 6.974 ppm2 2.324 CV 1
OR { 11}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 24 and name HG3 ))
ASSI { 12}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 24 and name HB2 ))
3.300 1.300 1.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 6.974 ppm2 1.881 CV 1
OR { 12}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 24 and name HB3 ))
ASSI { 53}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 57 and name HN ))
4.400 2.400 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.44386E-03 ppm1 0.884 ppm2 8.326 CV 1
ASSI { 54}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 55 and name HN ))
5.000 3.100 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.40882E-03 ppm1 0.885 ppm2 7.694 CV 1
ASSI { 75}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 31 and name HN ))
5.000 3.100 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.29591E-03 ppm1 7.090 ppm2 8.957 CV 1
ASSI { 78}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 31 and name HN ))
5.000 3.100 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.33095E-03 ppm1 6.905 ppm2 8.959 CV 1
ASSI { 94}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 31 and name HG2 ))
4.600 2.700 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.89938E-03 ppm1 6.740 ppm2 2.537 CV 1
OR { 94}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 95}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 31 and name HB3 ))
3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.21862E-02 ppm1 6.741 ppm2 2.275 CV 1
OR { 95}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 31 and name HB2 ))
ASSI { 97}
(( segid "A " and resid 22 and name HZ3 ))
( segid "A " and resid 55 and name HD1%)
3.900 3.900 2.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.27060E-03 ppm1 6.742 ppm2 0.845 CV 1
ASSI { 99}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 30 and name HA ))
3.900 1.900 1.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.86050E-03 ppm1 6.740 ppm2 5.855 CV 1
ASSI { 102}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 31 and name HN ))
3.500 1.500 1.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11661E-02 ppm1 6.739 ppm2 8.965 CV 1
ASSI { 103}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 31 and name HB2 ))
5.200 3.300 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.61712E-03 ppm1 7.268 ppm2 2.283 CV 1
OR { 103}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 105}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 29 and name HD3 ))
4.400 2.500 1.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.71835E-03 ppm1 7.268 ppm2 2.874 CV 1
ASSI { 106}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 29 and name HG2 ))
4.300 2.300 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.47891E-03 ppm1 7.268 ppm2 1.084 CV 1
OR { 106}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 29 and name HG3 ))
ASSI { 120}
(( segid "A " and resid 30 and name HZ ))
(( segid "A " and resid 37 and name HG3 ))
4.200 2.200 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.62296E-03 ppm1 7.280 ppm2 2.236 CV 1
OR { 120}
(( segid "A " and resid 30 and name HZ ))
(( segid "A " and resid 37 and name HG2 ))
ASSI { 122}
(( segid "A " and resid 30 and name HZ ))
( segid "A " and resid 37 and name HE% )
4.600 2.600 1.400 peak 122 spectrum 1 weight 0.10000E+01 volume 0.29396E-03 ppm1 7.276 ppm2 1.270 CV 1
ASSI { 129}
(( segid "A " and resid 13 and name HE1 ))
( segid "A " and resid 41 and name HD1%)
2.700 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.54490E-02 ppm1 6.586 ppm2 0.955 CV 1
ASSI { 130}
(( segid "A " and resid 13 and name HE1 ))
( segid "A " and resid 17 and name HD1%)
3.900 1.900 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.93448E-03 ppm1 6.588 ppm2 0.628 CV 1
ASSI { 143}
(( segid "A " and resid 13 and name HD2 ))
( segid "A " and resid 17 and name HD1%)
4.000 2.000 2.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.92278E-03 ppm1 7.832 ppm2 0.634 CV 1
ASSI { 156}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 30 and name HA ))
2.900 1.100 1.100 peak 156 spectrum 1 weight 0.10000E+01 volume 0.24704E-02 ppm1 5.585 ppm2 5.855 CV 1
ASSI { 158}
(( segid "A " and resid 21 and name HA ))
( segid "A " and resid 30 and name HD% )
4.600 2.700 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.62296E-03 ppm1 5.587 ppm2 6.743 CV 1
ASSI { 159}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 31 and name HN ))
3.900 1.900 1.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.68136E-03 ppm1 5.585 ppm2 8.966 CV 1
ASSI { 164}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 30 and name HB2 ))
4.000 2.000 2.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 5.586 ppm2 2.797 CV 1
OR { 164}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 171}
(( segid "A " and resid 48 and name HA ))
( segid "A " and resid 52 and name HD1%)
3.600 1.600 1.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.14601E-02 ppm1 4.943 ppm2 0.847 CV 1
ASSI { 172}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 51 and name HG2 ))
4.900 3.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.59765E-03 ppm1 4.944 ppm2 2.371 CV 1
OR { 172}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 51 and name HG3 ))
ASSI { 178}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 52 and name HN ))
4.700 2.800 1.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.37767E-03 ppm1 4.944 ppm2 8.634 CV 1
ASSI { 179}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 51 and name HN ))
4.300 2.300 1.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.96756E-03 ppm1 4.943 ppm2 8.229 CV 1
ASSI { 183}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 56 and name HB2 ))
3.500 1.500 1.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 4.900 ppm2 1.914 CV 1
OR { 183}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 186}
(( segid "A " and resid 22 and name HA ))
( segid "A " and resid 56 and name HD2%)
2.900 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.32316E-02 ppm1 4.900 ppm2 0.722 CV 1
ASSI { 199}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 32 and name HA ))
2.900 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.24490E-02 ppm1 4.247 ppm2 5.217 CV 1
ASSI { 204}
(( segid "A " and resid 19 and name HA ))
( segid "A " and resid 32 and name HB% )
3.100 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.26223E-02 ppm1 4.247 ppm2 1.488 CV 1
ASSI { 212}
(( segid "A " and resid 33 and name HA ))
( segid "A " and resid 36 and name HG1%)
4.500 2.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.93642E-03 ppm1 4.886 ppm2 0.975 CV 1
ASSI { 218}
(( segid "A " and resid 34 and name HA ))
( segid "A " and resid 36 and name HG1%)
4.800 2.900 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.42439E-03 ppm1 4.388 ppm2 0.970 CV 1
ASSI { 220}
(( segid "A " and resid 34 and name HA ))
(( segid "B " and resid 38 and name HA ))
5.000 3.200 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.15964E-03 ppm1 4.392 ppm2 4.751 CV 1
ASSI { 221}
(( segid "A " and resid 34 and name HA ))
(( segid "A " and resid 36 and name HN ))
4.400 2.400 1.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.59765E-03 ppm1 4.390 ppm2 7.429 CV 1
ASSI { 224}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 54 and name HN ))
3.600 1.600 1.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.15554E-02 ppm1 4.317 ppm2 7.334 CV 1
ASSI { 228}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 53 and name HB ))
2.800 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.36151E-02 ppm1 4.316 ppm2 1.877 CV 1
ASSI { 231}
(( segid "A " and resid 50 and name HA ))
( segid "A " and resid 53 and name HD1%)
2.700 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.47462E-02 ppm1 4.316 ppm2 0.817 CV 1
ASSI { 247}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 24 and name HA ))
4.700 2.800 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.35626E-03 ppm1 3.417 ppm2 4.694 CV 1
OR { 247}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 24 and name HA ))
ASSI { 250}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 56 and name HB2 ))
4.000 2.000 2.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.63854E-03 ppm1 3.419 ppm2 1.549 CV 1
OR { 250}
(( segid "A " and resid 22 and name HB2 ))
(( segid "A " and resid 56 and name HB2 ))
OR { 250}
(( segid "A " and resid 22 and name HB3 ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 253}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 11 and name HN ))
3.900 1.900 1.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 4.216 ppm2 8.360 CV 1
ASSI { 263}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 13 and name HN ))
3.100 3.100 2.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.33407E-02 ppm1 3.899 ppm2 8.361 CV 1
ASSI { 264}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 14 and name HN ))
3.800 1.800 1.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.73004E-03 ppm1 3.901 ppm2 8.822 CV 1
ASSI { 265}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 15 and name HN ))
3.800 1.800 1.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.81766E-03 ppm1 3.904 ppm2 8.662 CV 1
ASSI { 268}
(( segid "A " and resid 11 and name HA ))
( segid "A " and resid 14 and name HB% )
2.800 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40181E-02 ppm1 3.899 ppm2 1.417 CV 1
ASSI { 270}
(( segid "A " and resid 45 and name HA ))
(( segid "A " and resid 48 and name HN ))
4.300 2.400 1.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.59765E-03 ppm1 3.857 ppm2 7.307 CV 1
ASSI { 276}
(( segid "A " and resid 45 and name HA ))
( segid "A " and resid 48 and name HB% )
3.200 3.200 2.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.32452E-02 ppm1 3.864 ppm2 1.401 CV 1
ASSI { 297}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 30 and name HB2 ))
3.400 1.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.53030E-02 ppm1 0.862 ppm2 2.791 CV 1
OR { 297}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 30 and name HB3 ))
ASSI { 299}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 30 and name HA ))
4.000 2.000 2.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.17365E-02 ppm1 0.862 ppm2 5.855 CV 1
ASSI { 301}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 31 and name HN ))
4.000 2.000 2.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.81177E-03 ppm1 0.861 ppm2 8.957 CV 1
ASSI { 308}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 48 and name HN ))
4.000 2.000 2.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.72225E-03 ppm1 0.808 ppm2 7.307 CV 1
ASSI { 395}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 31 and name HA ))
5.800 4.100 0.200 peak 395 spectrum 1 weight 0.10000E+01 volume 0.22777E-03 ppm1 6.740 ppm2 4.720 CV 1
ASSI { 398}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 30 and name HB2 ))
5.300 3.500 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.25503E-03 ppm1 6.743 ppm2 2.808 CV 1
OR { 398}
(( segid "A " and resid 22 and name HZ3 ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 403}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 33 and name HD3 ))
5.400 3.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.32511E-03 ppm1 0.631 ppm2 3.983 CV 1
ASSI { 407}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 41 and name HB2 ))
4.200 2.200 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11116E-02 ppm1 0.630 ppm2 1.960 CV 1
OR { 407}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 41 and name HB3 ))
ASSI { 422}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 19 and name HN ))
4.300 2.400 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.16236E-02 ppm1 0.804 ppm2 7.846 CV 1
ASSI { 425}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 58 and name HB3 ))
3.300 1.400 1.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.16373E-02 ppm1 4.150 ppm2 2.528 CV 1
OR { 425}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 436}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 29 and name HB2 ))
5.300 3.500 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.21025E-03 ppm1 1.964 ppm2 -0.475 CV 1
OR { 436}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 29 and name HB2 ))
OR { 436}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 448}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 36 and name HN ))
6.000 5.100 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.35042E-03 ppm1 3.251 ppm2 7.442 CV 1
ASSI { 459}
(( segid "A " and resid 33 and name HD3 ))
( segid "A " and resid 36 and name HG2%)
3.900 1.900 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.39520E-02 ppm1 3.991 ppm2 0.914 CV 1
ASSI { 460}
(( segid "A " and resid 33 and name HD2 ))
( segid "A " and resid 36 and name HG1%)
3.000 1.200 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.57780E-02 ppm1 3.247 ppm2 0.995 CV 1
ASSI { 465}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 36 and name HN ))
5.300 3.500 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.19273E-03 ppm1 2.630 ppm2 7.424 CV 1
OR { 465}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 36 and name HN ))
ASSI { 470}
(( segid "A " and resid 33 and name HB2 ))
( segid "A " and resid 36 and name HG1%)
3.300 1.300 1.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.20811E-02 ppm1 2.632 ppm2 0.984 CV 1
OR { 470}
(( segid "A " and resid 33 and name HB3 ))
( segid "A " and resid 36 and name HG1%)
ASSI { 481}
(( segid "A " and resid 33 and name HG2 ))
( segid "A " and resid 36 and name HG1%)
3.200 1.300 1.300 peak 481 spectrum 1 weight 0.10000E+01 volume 0.27216E-02 ppm1 2.294 ppm2 1.001 CV 1
OR { 481}
(( segid "A " and resid 33 and name HG3 ))
( segid "A " and resid 36 and name HG1%)
ASSI { 493}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 36 and name HN ))
6.000 6.000 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.13627E-03 ppm1 2.296 ppm2 7.451 CV 1
OR { 493}
(( segid "A " and resid 33 and name HG3 ))
(( segid "A " and resid 36 and name HN ))
ASSI { 495}
( segid "A " and resid 32 and name HB% )
( segid "A " and resid 45 and name HD1%)
6.000 5.000 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.12654E-03 ppm1 1.489 ppm2 0.399 CV 1
ASSI { 506}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 34 and name HD3 ))
5.100 3.200 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.27060E-03 ppm1 1.496 ppm2 3.738 CV 1
ASSI { 511}
(( segid "A " and resid 34 and name HD3 ))
( segid "A " and resid 36 and name HG1%)
3.700 3.700 2.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.35042E-03 ppm1 3.695 ppm2 0.996 CV 1
ASSI { 528}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 19 and name HN ))
3.100 1.200 1.200 peak 528 spectrum 1 weight 0.10000E+01 volume 0.24315E-02 ppm1 4.478 ppm2 7.849 CV 1
ASSI { 530}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 17 and name HN ))
4.200 2.200 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.55093E-03 ppm1 4.479 ppm2 7.308 CV 1
ASSI { 531}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 58 and name HE22))
4.000 2.000 2.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.47112E-03 ppm1 4.480 ppm2 6.754 CV 1
ASSI { 539}
(( segid "A " and resid 37 and name HA ))
( segid "A " and resid 41 and name HD2%)
2.800 1.000 1.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.30389E-02 ppm1 4.634 ppm2 0.927 CV 1
ASSI { 544}
(( segid "A " and resid 38 and name HB ))
(( segid "A " and resid 40 and name HG2 ))
4.700 2.800 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.58987E-03 ppm1 4.767 ppm2 2.282 CV 1
OR { 544}
(( segid "A " and resid 38 and name HB ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 546}
(( segid "A " and resid 38 and name HB ))
(( segid "A " and resid 40 and name HN ))
4.600 2.700 1.400 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18494E-03 ppm1 4.764 ppm2 8.473 CV 1
ASSI { 568}
(( segid "A " and resid 39 and name HB3 ))
(( segid "A " and resid 42 and name HN ))
4.200 2.200 1.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.89938E-03 ppm1 2.423 ppm2 8.622 CV 1
OR { 568}
(( segid "A " and resid 39 and name HB2 ))
(( segid "A " and resid 42 and name HN ))
ASSI { 572}
(( segid "A " and resid 39 and name HA ))
( segid "A " and resid 41 and name HD2%)
5.300 3.500 0.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.20636E-03 ppm1 4.288 ppm2 0.948 CV 1
ASSI { 573}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 42 and name HA ))
5.400 3.700 0.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.30175E-03 ppm1 4.288 ppm2 3.638 CV 1
ASSI { 577}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 41 and name HN ))
4.800 2.900 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.24529E-03 ppm1 4.285 ppm2 7.846 CV 1
ASSI { 578}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 43 and name HN ))
4.400 2.400 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.55677E-03 ppm1 4.288 ppm2 8.252 CV 1
ASSI { 579}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 42 and name HN ))
3.600 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.11175E-02 ppm1 4.287 ppm2 8.623 CV 1
ASSI { 585}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 45 and name HN ))
6.000 6.000 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.35042E-04 ppm1 4.026 ppm2 8.469 CV 1
OR { 585}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 45 and name HN ))
ASSI { 609}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 54 and name HN ))
4.600 2.600 1.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.32900E-03 ppm1 4.041 ppm2 7.345 CV 1
ASSI { 627}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 55 and name HN ))
4.400 2.500 1.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.39324E-03 ppm1 3.502 ppm2 7.702 CV 1
ASSI { 630}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 57 and name HN ))
4.200 2.200 1.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 3.503 ppm2 8.319 CV 1
ASSI { 633}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 14 and name HN ))
3.700 1.800 1.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.81766E-03 ppm1 4.187 ppm2 8.824 CV 1
ASSI { 634}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 13 and name HE1 ))
5.000 3.100 1.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.31537E-03 ppm1 4.187 ppm2 6.587 CV 1
ASSI { 635}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 13 and name HB3 ))
3.000 1.100 1.100 peak 635 spectrum 1 weight 0.10000E+01 volume 0.41057E-02 ppm1 4.187 ppm2 3.308 CV 1
OR { 635}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 638}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 13 and name HB3 ))
5.100 3.300 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.21414E-03 ppm1 4.224 ppm2 3.296 CV 1
OR { 638}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 642}
( segid "A " and resid 9 and name HB% )
(( segid "A " and resid 11 and name HN ))
3.900 1.900 1.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.24704E-02 ppm1 1.498 ppm2 8.351 CV 1
ASSI { 645}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 60 and name HE22))
5.600 3.900 0.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.17326E-03 ppm1 4.097 ppm2 6.972 CV 1
ASSI { 692}
(( segid "A " and resid 41 and name HB3 ))
( segid "A " and resid 45 and name HD1%)
5.300 3.500 0.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.43413E-03 ppm1 1.978 ppm2 0.400 CV 1
OR { 692}
(( segid "A " and resid 41 and name HB2 ))
( segid "A " and resid 45 and name HD1%)
ASSI { 706}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 54 and name HN ))
5.500 3.800 0.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.21414E-03 ppm1 2.005 ppm2 7.349 CV 1
OR { 706}
(( segid "A " and resid 52 and name HB3 ))
(( segid "A " and resid 54 and name HN ))
ASSI { 719}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 45 and name HN ))
6.000 5.800 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.95392E-04 ppm1 1.260 ppm2 8.407 CV 1
ASSI { 724}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 42 and name HA ))
4.000 2.000 2.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 1.262 ppm2 3.642 CV 1
ASSI { 732}
( segid "A " and resid 37 and name HE% )
( segid "A " and resid 45 and name HD2%)
5.600 3.900 0.400 peak 732 spectrum 1 weight 0.10000E+01 volume 0.15964E-03 ppm1 1.263 ppm2 0.627 CV 1
ASSI { 733}
( segid "A " and resid 37 and name HE% )
( segid "A " and resid 45 and name HD1%)
2.600 0.900 0.900 peak 733 spectrum 1 weight 0.10000E+01 volume 0.49643E-02 ppm1 1.263 ppm2 0.405 CV 1
ASSI { 736}
(( segid "A " and resid 30 and name HB2 ))
( segid "A " and resid 37 and name HE% )
6.000 4.900 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.10318E-03 ppm1 2.794 ppm2 1.265 CV 1
OR { 736}
(( segid "A " and resid 30 and name HB3 ))
( segid "A " and resid 37 and name HE% )
ASSI { 739}
(( segid "A " and resid 42 and name HA ))
( segid "A " and resid 45 and name HD2%)
6.000 4.400 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.27449E-03 ppm1 3.635 ppm2 0.629 CV 1
ASSI { 740}
(( segid "A " and resid 42 and name HA ))
( segid "A " and resid 45 and name HD1%)
3.000 1.100 1.100 peak 740 spectrum 1 weight 0.10000E+01 volume 0.22855E-02 ppm1 3.633 ppm2 0.402 CV 1
ASSI { 743}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 45 and name HB2 ))
3.200 1.200 1.200 peak 743 spectrum 1 weight 0.10000E+01 volume 0.24198E-02 ppm1 3.633 ppm2 1.727 CV 1
OR { 743}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 45 and name HB3 ))
ASSI { 748}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 44 and name HN ))
4.500 2.600 1.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.31927E-03 ppm1 3.633 ppm2 8.033 CV 1
ASSI { 752}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 45 and name HN ))
3.600 1.700 1.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.94029E-03 ppm1 3.633 ppm2 8.416 CV 1
ASSI { 757}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 44 and name HN ))
6.000 4.800 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.13627E-03 ppm1 2.070 ppm2 8.019 CV 1
OR { 757}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 44 and name HN ))
ASSI { 762}
(( segid "A " and resid 42 and name HB2 ))
( segid "A " and resid 45 and name HD1%)
5.100 3.300 0.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.44192E-03 ppm1 2.073 ppm2 0.400 CV 1
OR { 762}
(( segid "A " and resid 42 and name HB3 ))
( segid "A " and resid 45 and name HD1%)
ASSI { 784}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 58 and name HE21))
3.100 1.200 1.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.52543E-02 ppm1 4.482 ppm2 7.186 CV 1
ASSI { 785}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 58 and name HE22))
4.700 2.800 1.300 peak 785 spectrum 1 weight 0.10000E+01 volume 0.31149E-03 ppm1 1.542 ppm2 6.758 CV 1
ASSI { 786}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 58 and name HE21))
5.400 3.600 0.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.19857E-03 ppm1 1.544 ppm2 7.180 CV 1
ASSI { 788}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name HN ))
3.600 1.700 1.700 peak 788 spectrum 1 weight 0.10000E+01 volume 0.87994E-03 ppm1 3.747 ppm2 7.321 CV 1
ASSI { 789}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 16 and name HN ))
4.700 2.700 1.300 peak 789 spectrum 1 weight 0.10000E+01 volume 0.29980E-03 ppm1 3.749 ppm2 8.147 CV 1
ASSI { 790}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 18 and name HN ))
4.100 2.100 1.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.74950E-03 ppm1 3.747 ppm2 7.860 CV 1
ASSI { 797}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 13 and name HE1 ))
5.900 4.400 0.100 peak 797 spectrum 1 weight 0.10000E+01 volume 0.15379E-03 ppm1 0.809 ppm2 6.580 CV 1
ASSI { 799}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 17 and name HN ))
5.100 3.200 0.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.33679E-03 ppm1 1.411 ppm2 7.318 CV 1
ASSI { 801}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 16 and name HN ))
5.500 3.800 0.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.28422E-03 ppm1 1.408 ppm2 8.151 CV 1
ASSI { 808}
( segid "A " and resid 14 and name HB% )
(( segid "A " and resid 19 and name HB ))
2.800 1.000 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.41680E-02 ppm1 1.408 ppm2 1.903 CV 1
ASSI { 809}
( segid "A " and resid 14 and name HB% )
( segid "A " and resid 19 and name HG2%)
2.500 0.800 0.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.17443E-01 ppm1 1.408 ppm2 0.869 CV 1
OR { 809}
( segid "A " and resid 14 and name HB% )
( segid "A " and resid 19 and name HG1%)
ASSI { 811}
( segid "A " and resid 14 and name HB% )
( segid "A " and resid 45 and name HD1%)
3.800 1.800 1.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.16469E-02 ppm1 1.408 ppm2 0.399 CV 1
ASSI { 821}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 29 and name HD3 ))
5.200 3.400 0.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.19078E-03 ppm1 6.974 ppm2 2.869 CV 1
OR { 821}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 29 and name HD2 ))
ASSI { 823}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 29 and name HB2 ))
4.700 2.800 1.300 peak 823 spectrum 1 weight 0.10000E+01 volume 0.26281E-03 ppm1 6.974 ppm2 -0.462 CV 1
OR { 823}
(( segid "A " and resid 22 and name HD1 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 830}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 30 and name HA ))
5.000 3.200 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.24724E-03 ppm1 6.909 ppm2 5.858 CV 1
ASSI { 831}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 31 and name HA ))
5.900 4.400 0.100 peak 831 spectrum 1 weight 0.10000E+01 volume 0.16742E-03 ppm1 6.906 ppm2 4.726 CV 1
ASSI { 834}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 30 and name HB3 ))
5.000 3.200 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.28228E-03 ppm1 6.907 ppm2 2.835 CV 1
OR { 834}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 30 and name HB2 ))
ASSI { 835}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 29 and name HB3 ))
4.700 2.800 1.300 peak 835 spectrum 1 weight 0.10000E+01 volume 0.23750E-03 ppm1 6.906 ppm2 0.254 CV 1
OR { 835}
(( segid "A " and resid 22 and name HH2 ))
(( segid "A " and resid 29 and name HB2 ))
ASSI { 841}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 31 and name HG2 ))
6.000 5.000 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.20051E-03 ppm1 7.087 ppm2 2.525 CV 1
OR { 841}
(( segid "A " and resid 22 and name HE3 ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 842}
(( segid "A " and resid 22 and name HZ2 ))
(( segid "A " and resid 29 and name HA ))
6.000 5.000 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.14406E-03 ppm1 7.269 ppm2 4.368 CV 1
ASSI { 856}
(( segid "A " and resid 8 and name HA1 ))
( segid "A " and resid 11 and name HD1%)
3.200 1.300 1.300 peak 856 spectrum 1 weight 0.10000E+01 volume 0.26301E-02 ppm1 3.555 ppm2 0.880 CV 1
ASSI { 864}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 13 and name HN ))
3.400 3.400 2.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.43938E-02 ppm1 1.879 ppm2 8.334 CV 1
OR { 864}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 13 and name HN ))
ASSI { 867}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 15 and name HN ))
3.500 1.500 1.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.13062E-02 ppm1 4.091 ppm2 8.657 CV 1
ASSI { 869}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 16 and name HN ))
4.500 2.600 1.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.30175E-03 ppm1 4.094 ppm2 8.166 CV 1
ASSI { 881}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 16 and name HN ))
3.800 1.800 1.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.66969E-03 ppm1 4.426 ppm2 8.153 CV 1
ASSI { 883}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 15 and name HN ))
3.500 1.500 1.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.18339E-02 ppm1 4.429 ppm2 8.659 CV 1
ASSI { 885}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 14 and name HN ))
4.400 2.400 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.50616E-03 ppm1 4.089 ppm2 8.828 CV 1
ASSI { 886}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 56 and name HN ))
3.800 1.800 1.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 4.060 ppm2 8.671 CV 1
ASSI { 887}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name HN ))
2.700 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.71115E-02 ppm1 4.060 ppm2 8.341 CV 1
ASSI { 888}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 44 and name HN ))
3.600 1.600 1.600 peak 888 spectrum 1 weight 0.10000E+01 volume 0.91891E-03 ppm1 4.099 ppm2 8.026 CV 1
ASSI { 889}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 45 and name HN ))
4.300 2.400 1.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.45944E-03 ppm1 4.102 ppm2 8.427 CV 1
ASSI { 890}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 43 and name HN ))
4.800 2.900 1.200 peak 890 spectrum 1 weight 0.10000E+01 volume 0.22193E-03 ppm1 4.101 ppm2 8.256 CV 1
ASSI { 894}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 44 and name HD2 ))
3.900 1.900 1.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.87994E-03 ppm1 4.099 ppm2 3.126 CV 1
OR { 894}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 44 and name HD3 ))
ASSI { 895}
(( segid "A " and resid 41 and name HA ))
( segid "A " and resid 45 and name HD1%)
5.200 3.400 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.30564E-03 ppm1 4.104 ppm2 0.401 CV 1
ASSI { 896}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 43 and name HN ))
3.400 1.500 1.500 peak 896 spectrum 1 weight 0.10000E+01 volume 0.13160E-02 ppm1 4.062 ppm2 8.255 CV 1
ASSI { 899}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 44 and name HN ))
4.300 2.300 1.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.45749E-03 ppm1 4.059 ppm2 8.023 CV 1
ASSI { 900}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 42 and name HN ))
2.700 2.700 3.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.78766E-02 ppm1 4.062 ppm2 8.639 CV 1
ASSI { 901}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 58 and name HN ))
3.000 1.100 1.100 peak 901 spectrum 1 weight 0.10000E+01 volume 0.30506E-02 ppm1 4.024 ppm2 7.658 CV 1
ASSI { 904}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 55 and name HN ))
4.100 2.100 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.48085E-03 ppm1 4.150 ppm2 7.705 CV 1
ASSI { 905}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 54 and name HN ))
3.400 1.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 4.153 ppm2 7.351 CV 1
ASSI { 906}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 52 and name HN ))
4.300 2.300 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.38740E-03 ppm1 4.315 ppm2 8.648 CV 1
ASSI { 907}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 51 and name HN ))
4.600 2.600 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.35820E-03 ppm1 3.876 ppm2 8.221 CV 1
ASSI { 909}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 52 and name HN ))
3.400 1.400 1.400 peak 909 spectrum 1 weight 0.10000E+01 volume 0.17404E-02 ppm1 3.878 ppm2 8.622 CV 1
ASSI { 937}
(( segid "A " and resid 13 and name HA ))
( segid "A " and resid 17 and name HD1%)
5.000 3.100 1.000 peak 937 spectrum 1 weight 0.10000E+01 volume 0.29591E-03 ppm1 4.423 ppm2 0.632 CV 1
ASSI { 938}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 17 and name HN ))
4.600 2.600 1.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.30369E-03 ppm1 4.425 ppm2 7.312 CV 1
ASSI { 946}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 19 and name HB ))
3.300 1.300 1.300 peak 946 spectrum 1 weight 0.10000E+01 volume 0.18786E-02 ppm1 3.747 ppm2 1.883 CV 1
ASSI { 947}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name HB2 ))
3.200 1.300 1.300 peak 947 spectrum 1 weight 0.10000E+01 volume 0.18164E-02 ppm1 3.748 ppm2 1.781 CV 1
OR { 947}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name HB3 ))
ASSI { 949}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 19 and name HG2%)
2.800 0.900 0.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.45223E-02 ppm1 3.748 ppm2 0.883 CV 1
ASSI { 950}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 17 and name HD1%)
3.000 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.28539E-02 ppm1 3.747 ppm2 0.632 CV 1
ASSI { 951}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 45 and name HD1%)
6.000 4.500 0.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.10707E-03 ppm1 3.748 ppm2 0.394 CV 1
ASSI { 956}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 19 and name HN ))
3.700 1.700 1.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.82153E-03 ppm1 1.764 ppm2 7.848 CV 1
OR { 956}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 19 and name HN ))
ASSI { 965}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 44 and name HG3 ))
2.600 0.800 0.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.54684E-02 ppm1 4.099 ppm2 1.956 CV 1
OR { 965}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 44 and name HG2 ))
ASSI { 969}
(( segid "A " and resid 41 and name HA ))
( segid "A " and resid 45 and name HD2%)
5.400 3.700 0.600 peak 969 spectrum 1 weight 0.10000E+01 volume 0.24529E-03 ppm1 4.094 ppm2 0.629 CV 1
ASSI { 976}
(( segid "A " and resid 49 and name HA ))
( segid "A " and resid 52 and name HD1%)
2.600 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.74522E-02 ppm1 3.879 ppm2 0.833 CV 1
ASSI { 978}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 52 and name HB2 ))
3.200 1.300 1.300 peak 978 spectrum 1 weight 0.10000E+01 volume 0.19429E-02 ppm1 3.881 ppm2 1.235 CV 1
OR { 978}
(( segid "A " and resid 49 and name HA ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 988}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 55 and name HN ))
5.600 3.900 0.400 peak 988 spectrum 1 weight 0.10000E+01 volume 0.27060E-03 ppm1 1.870 ppm2 7.714 CV 1
ASSI { 995}
(( segid "A " and resid 51 and name HA ))
( segid "A " and resid 54 and name HB% )
2.800 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.49117E-02 ppm1 4.153 ppm2 1.495 CV 1
ASSI { 1026}
(( segid "A " and resid 70 and name HA ))
(( segid "A " and resid 72 and name HB ))
4.400 2.400 1.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.61128E-03 ppm1 4.604 ppm2 2.026 CV 1
ASSI { 1028}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 42 and name HN ))
5.100 3.300 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.34847E-03 ppm1 1.371 ppm2 8.639 CV 1
ASSI { 1029}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 40 and name HN ))
5.200 3.400 0.800 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.31149E-03 ppm1 1.372 ppm2 8.466 CV 1
ASSI { 1030}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 41 and name HN ))
4.800 2.900 1.200 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.42245E-03 ppm1 1.372 ppm2 7.840 CV 1
ASSI { 1035}
(( segid "A " and resid 17 and name HG ))
(( segid "A " and resid 19 and name HN ))
4.900 3.000 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.59571E-03 ppm1 1.535 ppm2 7.848 CV 1
ASSI { 1050}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 32 and name HA ))
5.600 3.900 0.400 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.24335E-03 ppm1 1.899 ppm2 5.215 CV 1
ASSI { 1053}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 33 and name HB3 ))
4.800 2.900 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.40298E-03 ppm1 3.713 ppm2 1.904 CV 1
OR { 1053}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 33 and name HB2 ))
ASSI { 1061}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 30 and name HZ ))
3.500 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.24237E-02 ppm1 0.870 ppm2 7.341 CV 1
ASSI { 1062}
( segid "A " and resid 19 and name HG1%)
( segid "A " and resid 30 and name HD% )
3.800 1.800 1.800 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.15107E-02 ppm1 0.854 ppm2 6.745 CV 1
ASSI { 1063}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 21 and name HA ))
5.100 3.200 0.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.29980E-03 ppm1 0.855 ppm2 5.586 CV 1
ASSI { 1064}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 30 and name HA ))
4.500 2.500 1.500 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.75924E-03 ppm1 0.854 ppm2 5.855 CV 1
ASSI { 1066}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 30 and name HB2 ))
3.700 1.800 1.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.30642E-02 ppm1 0.853 ppm2 2.805 CV 1
OR { 1066}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 30 and name HB3 ))
ASSI { 1068}
( segid "A " and resid 19 and name HG1%)
( segid "A " and resid 45 and name HD1%)
4.200 2.200 1.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.36599E-03 ppm1 0.848 ppm2 0.383 CV 1
ASSI { 1070}
(( segid "A " and resid 25 and name HA1 ))
(( segid "A " and resid 27 and name HN ))
5.600 3.900 0.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.69305E-03 ppm1 4.009 ppm2 7.978 CV 1
ASSI { 1071}
(( segid "A " and resid 25 and name HA2 ))
(( segid "A " and resid 27 and name HN ))
5.200 3.400 0.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.41661E-03 ppm1 3.730 ppm2 7.985 CV 1
ASSI { 1079}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 56 and name HB2 ))
5.000 3.100 1.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.18883E-03 ppm1 5.583 ppm2 1.920 CV 1
OR { 1079}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 1083}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 30 and name HA ))
5.000 3.100 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.39714E-03 ppm1 1.616 ppm2 5.858 CV 1
OR { 1083}
(( segid "A " and resid 21 and name HB2 ))
(( segid "A " and resid 30 and name HA ))
ASSI { 1088}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 30 and name HB2 ))
5.800 4.300 0.200 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.17716E-03 ppm1 1.525 ppm2 2.793 CV 1
OR { 1088}
(( segid "A " and resid 21 and name HB3 ))
(( segid "A " and resid 30 and name HB3 ))
OR { 1088}
(( segid "A " and resid 21 and name HB2 ))
(( segid "A " and resid 30 and name HB2 ))
ASSI { 1106}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 58 and name HN ))
5.400 3.700 0.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.33484E-03 ppm1 0.707 ppm2 7.678 CV 1
ASSI { 1122}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 58 and name HN ))
4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.10006E-02 ppm1 1.001 ppm2 7.639 CV 1
ASSI { 1135}
(( segid "A " and resid 23 and name HB ))
(( segid "A " and resid 28 and name HA ))
5.800 4.200 0.200 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.14990E-03 ppm1 1.932 ppm2 4.489 CV 1
ASSI { 1143}
(( segid "A " and resid 35 and name HA2 ))
(( segid "A " and resid 37 and name HN ))
5.300 3.600 0.700 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.43023E-03 ppm1 4.222 ppm2 8.676 CV 1
ASSI { 1144}
(( segid "A " and resid 35 and name HA1 ))
(( segid "A " and resid 37 and name HN ))
5.100 3.200 0.900 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.26476E-03 ppm1 3.778 ppm2 8.665 CV 1
ASSI { 1149}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 44 and name HD2 ))
4.500 2.500 1.500 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.42634E-03 ppm1 2.297 ppm2 3.151 CV 1
OR { 1149}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 44 and name HD2 ))
OR { 1149}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 44 and name HD3 ))
OR { 1149}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 44 and name HD3 ))
ASSI { 1156}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 29 and name HG2 ))
4.100 2.100 1.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.12927E-02 ppm1 2.348 ppm2 1.085 CV 1
OR { 1156}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 29 and name HG2 ))
OR { 1156}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 29 and name HG3 ))
OR { 1156}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 29 and name HG3 ))
ASSI { 1162}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 29 and name HD3 ))
3.500 1.600 1.600 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.77676E-03 ppm1 1.865 ppm2 2.868 CV 1
OR { 1162}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 29 and name HD3 ))
OR { 1162}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 29 and name HD2 ))
ASSI { 1189}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 29 and name HD2 ))
4.700 2.700 1.300 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.18494E-03 ppm1 1.746 ppm2 2.868 CV 1
OR { 1189}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 29 and name HD2 ))
ASSI { 1191}
(( segid "A " and resid 27 and name HG3 ))
( segid "B " and resid 30 and name HD% )
3.400 3.400 2.600 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.18631E-02 ppm1 1.612 ppm2 6.747 CV 1
OR { 1191}
(( segid "A " and resid 27 and name HG2 ))
( segid "B " and resid 30 and name HD% )
OR { 1191}
(( segid "A " and resid 27 and name HG3 ))
( segid "A " and resid 30 and name HD% )
ASSI { 1202}
(( segid "A " and resid 28 and name HG ))
( segid "A " and resid 30 and name HD% )
4.600 2.700 1.400 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.41855E-03 ppm1 1.435 ppm2 6.749 CV 1
ASSI { 1210}
( segid "A " and resid 28 and name HD2%)
( segid "A " and resid 30 and name HE% )
4.500 2.500 1.500 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.57819E-03 ppm1 0.803 ppm2 7.230 CV 1
ASSI { 1213}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 30 and name HA ))
5.200 3.300 0.800 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.12654E-03 ppm1 0.803 ppm2 5.858 CV 1
ASSI { 1220}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 30 and name HB2 ))
4.900 3.000 1.100 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.20051E-03 ppm1 0.799 ppm2 2.803 CV 1
OR { 1220}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 30 and name HB3 ))
ASSI { 1238}
(( segid "A " and resid 49 and name HG3 ))
(( segid "A " and resid 51 and name HN ))
6.000 4.800 0.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.15574E-03 ppm1 1.326 ppm2 8.214 CV 1
OR { 1238}
(( segid "A " and resid 49 and name HG2 ))
(( segid "A " and resid 51 and name HN ))
ASSI { 1245}
(( segid "A " and resid 49 and name HG3 ))
( segid "A " and resid 53 and name HD1%)
3.200 1.200 1.200 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.38001E-02 ppm1 1.330 ppm2 0.818 CV 1
OR { 1245}
(( segid "A " and resid 49 and name HG2 ))
( segid "A " and resid 53 and name HD1%)
ASSI { 1254}
(( segid "A " and resid 41 and name HG ))
( segid "A " and resid 45 and name HD2%)
4.300 2.300 1.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.45165E-03 ppm1 1.484 ppm2 0.625 CV 1
ASSI { 1264}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 22 and name HZ3 ))
4.600 2.700 1.400 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.80596E-03 ppm1 1.895 ppm2 6.747 CV 1
OR { 1264}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 22 and name HZ3 ))
ASSI { 1266}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 22 and name HE3 ))
4.600 2.700 1.400 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.70667E-03 ppm1 1.894 ppm2 7.111 CV 1
OR { 1266}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 22 and name HE3 ))
ASSI { 1277}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 31 and name HG2 ))
5.100 3.200 0.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.31149E-03 ppm1 1.896 ppm2 2.516 CV 1
OR { 1277}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 31 and name HG2 ))
OR { 1277}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 31 and name HG3 ))
OR { 1277}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 1295}
(( segid "A " and resid 37 and name HG3 ))
( segid "A " and resid 45 and name HD1%)
5.600 3.900 0.400 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.12849E-03 ppm1 2.257 ppm2 0.407 CV 1
OR { 1295}
(( segid "A " and resid 37 and name HG2 ))
( segid "A " and resid 45 and name HD1%)
ASSI { 1329}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 22 and name HZ3 ))
3.500 1.500 1.500 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.10707E-02 ppm1 2.112 ppm2 6.746 CV 1
OR { 1329}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 22 and name HZ3 ))
ASSI { 1331}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 22 and name HE3 ))
3.200 1.300 1.300 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.21609E-02 ppm1 1.985 ppm2 7.099 CV 1
OR { 1331}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 22 and name HE3 ))
ASSI { 1332}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 30 and name HA ))
5.700 4.100 0.300 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.15574E-03 ppm1 2.114 ppm2 5.855 CV 1
OR { 1332}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 30 and name HA ))
ASSI { 1336}
(( segid "A " and resid 20 and name HB2 ))
(( segid "A " and resid 31 and name HA ))
5.800 4.200 0.200 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.20051E-03 ppm1 2.108 ppm2 4.709 CV 1
OR { 1336}
(( segid "A " and resid 20 and name HB3 ))
(( segid "A " and resid 31 and name HA ))
ASSI { 1340}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 22 and name HZ3 ))
4.100 2.200 1.900 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.82153E-03 ppm1 3.229 ppm2 6.748 CV 1
OR { 1340}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 22 and name HZ3 ))
ASSI { 1341}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 22 and name HE3 ))
4.400 2.500 1.600 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.64243E-03 ppm1 3.228 ppm2 7.120 CV 1
OR { 1341}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 22 and name HE3 ))
ASSI { 1363}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 64 and name HE21))
4.800 2.800 1.200 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.27060E-03 ppm1 3.818 ppm2 6.895 CV 1
OR { 1363}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 64 and name HE21))
ASSI { 1365}
(( segid "A " and resid 62 and name HB3 ))
(( segid "A " and resid 64 and name HE22))
5.800 4.200 0.200 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.91496E-04 ppm1 3.717 ppm2 7.538 CV 1
OR { 1365}
(( segid "A " and resid 62 and name HB2 ))
(( segid "A " and resid 64 and name HE22))
ASSI { 1369}
(( segid "A " and resid 6 and name HB3 ))
(( segid "A " and resid 8 and name HN ))
4.700 2.700 1.300 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.40492E-03 ppm1 4.111 ppm2 8.457 CV 1
OR { 1369}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 8 and name HN ))
ASSI { 1372}
(( segid "A " and resid 6 and name HB3 ))
(( segid "A " and resid 9 and name HN ))
4.500 2.600 1.500 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.35626E-03 ppm1 3.998 ppm2 7.791 CV 1
OR { 1372}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 9 and name HN ))
ASSI { 1382}
( segid "A " and resid 11 and name HD2%)
(( segid "A " and resid 15 and name HN ))
4.000 2.000 2.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.62296E-03 ppm1 0.960 ppm2 8.664 CV 1
ASSI { 1391}
( segid "A " and resid 55 and name HD2%)
(( segid "A " and resid 57 and name HN ))
2.900 2.900 3.100 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 0.890 ppm2 8.358 CV 1
ASSI { 1396}
( segid "A " and resid 28 and name HD2%)
( segid "A " and resid 30 and name HD% )
4.000 2.000 2.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.67358E-03 ppm1 0.816 ppm2 6.746 CV 1
ASSI { 1399}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name HD2 ))
3.600 1.600 1.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.15418E-02 ppm1 4.056 ppm2 3.180 CV 1
OR { 1399}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name HD3 ))
ASSI { 1401}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name HB2 ))
2.700 0.900 0.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.41953E-02 ppm1 4.056 ppm2 1.959 CV 1
OR { 1401}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 57 and name HB3 ))
ASSI { 1416}
( segid "A " and resid 10 and name HD1%)
(( segid "A " and resid 14 and name HN ))
4.100 2.100 1.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.56846E-03 ppm1 0.851 ppm2 8.810 CV 1
ASSI { 1432}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 58 and name HN ))
3.700 1.700 1.700 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.23867E-02 ppm1 1.917 ppm2 7.642 CV 1
OR { 1432}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 58 and name HN ))
ASSI { 1435}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 58 and name HG2 ))
3.900 1.900 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.78455E-03 ppm1 4.158 ppm2 2.655 CV 1
OR { 1435}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 1439}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 58 and name HE22))
4.400 2.400 1.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.24335E-03 ppm1 4.304 ppm2 6.753 CV 1
ASSI { 1440}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 58 and name HE22))
5.300 3.500 0.700 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.29591E-03 ppm1 3.711 ppm2 6.740 CV 1
ASSI { 1442}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 58 and name HE21))
4.400 2.400 1.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.39714E-03 ppm1 4.307 ppm2 7.183 CV 1
ASSI { 1448}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 20 and name HD2 ))
4.800 2.800 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.27449E-03 ppm1 4.305 ppm2 3.242 CV 1
OR { 1448}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 20 and name HD3 ))
ASSI { 1451}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 33 and name HG3 ))
3.700 1.700 1.700 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.74172E-03 ppm1 3.706 ppm2 2.270 CV 1
OR { 1451}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 33 and name HG2 ))
ASSI { 1464}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 33 and name HD3 ))
4.500 2.600 1.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.54509E-03 ppm1 2.271 ppm2 4.019 CV 1
OR { 1464}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 33 and name HD3 ))
ASSI { 1476}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 33 and name HD3 ))
3.900 1.900 1.900 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.77092E-03 ppm1 2.557 ppm2 4.028 CV 1
OR { 1476}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 33 and name HD3 ))
ASSI { 1486}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 58 and name HG2 ))
5.400 3.700 0.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.21414E-03 ppm1 1.911 ppm2 2.470 CV 1
OR { 1486}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 58 and name HG2 ))
OR { 1486}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 58 and name HG3 ))
OR { 1486}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 1506}
( segid "A " and resid 7 and name HB% )
(( segid "A " and resid 10 and name HN ))
4.500 2.500 1.500 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.74172E-03 ppm1 1.400 ppm2 7.933 CV 1
ASSI { 1507}
( segid "A " and resid 7 and name HB% )
(( segid "A " and resid 9 and name HN ))
4.700 2.700 1.300 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.67942E-03 ppm1 1.401 ppm2 7.740 CV 1
ASSI { 1561}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 58 and name HB2 ))
3.900 1.900 1.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.83517E-03 ppm1 1.542 ppm2 2.540 CV 1
OR { 1561}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 58 and name HB3 ))
ASSI { 1563}
( segid "A " and resid 41 and name HD1%)
(( segid "A " and resid 44 and name HN ))
5.000 3.100 1.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.57235E-03 ppm1 0.968 ppm2 8.046 CV 1
ASSI { 1566}
(( segid "A " and resid 33 and name HD3 ))
( segid "A " and resid 36 and name HG1%)
5.500 3.800 0.500 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.54120E-03 ppm1 3.989 ppm2 0.991 CV 1
ASSI { 1580}
(( segid "A " and resid 8 and name HA2 ))
( segid "A " and resid 11 and name HD1%)
5.100 3.300 0.900 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.55483E-03 ppm1 3.781 ppm2 0.869 CV 1
ASSI { 1605}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name HA ))
6.000 4.700 0.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.15574E-03 ppm1 3.750 ppm2 4.390 CV 1
ASSI { 1610}
(( segid "A " and resid 27 and name HG3 ))
( segid "B " and resid 30 and name HE% )
4.300 2.300 1.700 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.36793E-03 ppm1 1.612 ppm2 7.243 CV 1
OR { 1610}
(( segid "A " and resid 27 and name HG2 ))
( segid "B " and resid 30 and name HE% )
ASSI { 1614}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 30 and name HB2 ))
5.300 3.500 0.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.14406E-03 ppm1 1.617 ppm2 2.852 CV 1
OR { 1614}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 30 and name HB3 ))
OR { 1614}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 30 and name HB2 ))
OR { 1614}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 1621}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name HG ))
3.700 1.700 1.700 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 3.748 ppm2 1.532 CV 1
ASSI { 1624}
(( segid "A " and resid 47 and name HA2 ))
( segid "A " and resid 52 and name HD1%)
6.000 4.900 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.93448E-04 ppm1 4.066 ppm2 0.850 CV 1
ASSI { 1657}
(( segid "A " and resid 37 and name HG3 ))
(( segid "A " and resid 39 and name HA ))
6.000 4.700 0.000 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.58403E-04 ppm1 2.514 ppm2 4.290 CV 1
OR { 1657}
(( segid "A " and resid 37 and name HG2 ))
(( segid "A " and resid 39 and name HA ))
ASSI { 1671}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 62 and name HN ))
6.000 5.300 0.000 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.52563E-04 ppm1 2.476 ppm2 8.567 CV 1
OR { 1671}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 62 and name HN ))
ASSI { 1720}
(( segid "A " and resid 21 and name HB2 ))
( segid "A " and resid 56 and name HD1%)
4.200 2.200 1.800 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.75924E-03 ppm1 1.509 ppm2 0.977 CV 1
OR { 1720}
(( segid "A " and resid 21 and name HB3 ))
( segid "A " and resid 56 and name HD1%)
ASSI { 1724}
( segid "A " and resid 21 and name HD1%)
( segid "A " and resid 45 and name HD1%)
3.900 1.900 1.900 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.77871E-03 ppm1 0.862 ppm2 0.391 CV 1
ASSI { 1725}
( segid "A " and resid 21 and name HD1%)
(( segid "A " and resid 45 and name HA ))
4.200 2.300 1.800 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.10006E-02 ppm1 0.862 ppm2 3.891 CV 1
ASSI { 1730}
(( segid "A " and resid 30 and name HB3 ))
( segid "B " and resid 45 and name HD1%)
6.000 5.100 0.000 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.60349E-04 ppm1 2.773 ppm2 0.395 CV 1
OR { 1730}
(( segid "A " and resid 30 and name HB2 ))
( segid "B " and resid 45 and name HD1%)
OR { 1730}
(( segid "A " and resid 30 and name HB2 ))
( segid "A " and resid 45 and name HD1%)
ASSI { 1748}
(( segid "A " and resid 16 and name HA ))
(( segid "A " and resid 18 and name HN ))
4.700 2.700 1.300 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.27838E-03 ppm1 4.295 ppm2 7.873 CV 1
ASSI { 1755}
( segid "A " and resid 32 and name HB% )
( segid "A " and resid 37 and name HE% )
4.000 2.000 2.000 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.44776E-03 ppm1 1.490 ppm2 1.249 CV 1
ASSI { 1757}
(( segid "A " and resid 41 and name HB3 ))
( segid "A " and resid 45 and name HD2%)
6.000 6.000 0.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.83710E-04 ppm1 1.618 ppm2 0.634 CV 1
OR { 1757}
(( segid "A " and resid 41 and name HB2 ))
( segid "A " and resid 45 and name HD2%)
ASSI { 1769}
( segid "A " and resid 7 and name HB% )
( segid "A " and resid 10 and name HD1%)
3.400 3.400 2.600 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.58072E-02 ppm1 1.404 ppm2 0.862 CV 1
ASSI { 1771}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 10 and name HN ))
3.900 1.900 1.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.71835E-03 ppm1 4.060 ppm2 7.938 CV 1
ASSI { 1774}
(( segid "A " and resid 8 and name HA2 ))
(( segid "A " and resid 11 and name HB3 ))
6.000 5.500 0.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.13822E-03 ppm1 3.781 ppm2 1.690 CV 1
OR { 1774}
(( segid "A " and resid 8 and name HA2 ))
(( segid "A " and resid 11 and name HB2 ))
ASSI { 1775}
(( segid "A " and resid 8 and name HA1 ))
(( segid "A " and resid 10 and name HN ))
5.900 4.400 0.100 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.83710E-04 ppm1 3.556 ppm2 7.920 CV 1
ASSI { 1776}
(( segid "A " and resid 8 and name HA2 ))
(( segid "A " and resid 10 and name HN ))
6.000 5.600 0.000 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.68136E-04 ppm1 3.784 ppm2 7.928 CV 1
ASSI { 1777}
(( segid "A " and resid 8 and name HA1 ))
(( segid "A " and resid 11 and name HN ))
5.400 3.700 0.600 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.81766E-04 ppm1 3.554 ppm2 8.327 CV 1
ASSI { 1782}
( segid "A " and resid 54 and name HB% )
(( segid "A " and resid 56 and name HN ))
4.400 2.400 1.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.89938E-03 ppm1 1.502 ppm2 8.639 CV 1
ASSI { 1788}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 13 and name HB3 ))
5.900 4.300 0.100 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.16936E-03 ppm1 1.747 ppm2 3.307 CV 1
OR { 1788}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 13 and name HB3 ))
OR { 1788}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 1790}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 14 and name HN ))
6.000 5.800 0.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.54509E-04 ppm1 1.743 ppm2 8.826 CV 1
OR { 1790}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 14 and name HN ))
ASSI { 1791}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 45 and name HA ))
3.400 1.500 1.500 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15243E-02 ppm1 0.810 ppm2 3.863 CV 1
ASSI { 1793}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 44 and name HD3 ))
4.800 2.900 1.200 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.31733E-03 ppm1 0.808 ppm2 3.135 CV 1
OR { 1793}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 44 and name HD2 ))
ASSI { 1797}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 44 and name HB3 ))
3.600 1.600 1.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 0.813 ppm2 1.933 CV 1
OR { 1797}
( segid "A " and resid 10 and name HD2%)
(( segid "A " and resid 44 and name HB2 ))
ASSI { 1803}
(( segid "A " and resid 10 and name HG ))
( segid "A " and resid 45 and name HD2%)
4.100 2.200 1.900 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.57040E-03 ppm1 1.556 ppm2 0.615 CV 1
ASSI { 1806}
( segid "A " and resid 11 and name HD2%)
(( segid "A " and resid 14 and name HN ))
6.000 5.400 0.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.62296E-04 ppm1 0.958 ppm2 8.850 CV 1
ASSI { 1808}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 15 and name HA ))
6.000 6.000 0.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.60349E-04 ppm1 4.095 ppm2 4.458 CV 1
ASSI { 1812}
( segid "A " and resid 12 and name HB% )
(( segid "A " and resid 14 and name HN ))
5.900 4.400 0.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.19273E-03 ppm1 1.538 ppm2 8.853 CV 1
ASSI { 1822}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 58 and name HB2 ))
5.200 3.300 0.800 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.19273E-03 ppm1 4.480 ppm2 2.403 CV 1
OR { 1822}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 58 and name HB3 ))
ASSI { 1823}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 19 and name HB ))
4.400 2.400 1.600 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.37378E-03 ppm1 4.481 ppm2 1.903 CV 1
ASSI { 1825}
(( segid "A " and resid 15 and name HA ))
( segid "A " and resid 19 and name HG2%)
4.600 2.600 1.400 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.58792E-03 ppm1 4.477 ppm2 0.911 CV 1
ASSI { 1826}
( segid "A " and resid 15 and name HB% )
(( segid "A " and resid 58 and name HN ))
4.500 2.500 1.500 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.51784E-03 ppm1 1.543 ppm2 7.677 CV 1
ASSI { 1839}
(( segid "A " and resid 18 and name HA2 ))
(( segid "A " and resid 58 and name HE21))
6.000 5.800 0.000 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.89551E-04 ppm1 3.710 ppm2 7.190 CV 1
ASSI { 1840}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 58 and name HG2 ))
6.000 5.200 0.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.50616E-04 ppm1 4.304 ppm2 2.651 CV 1
OR { 1840}
(( segid "A " and resid 18 and name HA1 ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 1844}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 30 and name HZ ))
6.000 6.000 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.64243E-04 ppm1 1.904 ppm2 7.308 CV 1
ASSI { 1845}
(( segid "A " and resid 19 and name HB ))
( segid "A " and resid 45 and name HD2%)
6.000 6.000 0.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.19467E-05 ppm1 1.897 ppm2 0.619 CV 1
ASSI { 1846}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 32 and name HA ))
4.400 2.500 1.600 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.42829E-03 ppm1 0.854 ppm2 5.221 CV 1
ASSI { 1847}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 33 and name HG2 ))
5.300 3.500 0.700 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.46333E-03 ppm1 0.854 ppm2 2.283 CV 1
OR { 1847}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 33 and name HG3 ))
ASSI { 1848}
( segid "A " and resid 19 and name HG2%)
( segid "A " and resid 30 and name HD% )
6.000 5.400 0.000 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.93448E-04 ppm1 0.873 ppm2 6.755 CV 1
ASSI { 1853}
(( segid "A " and resid 20 and name HD2 ))
(( segid "A " and resid 31 and name HA ))
6.000 5.000 0.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.95392E-04 ppm1 3.235 ppm2 4.732 CV 1
OR { 1853}
(( segid "A " and resid 20 and name HD3 ))
(( segid "A " and resid 31 and name HA ))
ASSI { 1857}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 31 and name HB3 ))
5.800 4.200 0.200 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.15574E-03 ppm1 1.797 ppm2 2.280 CV 1
OR { 1857}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 31 and name HB3 ))
OR { 1857}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 31 and name HB2 ))
ASSI { 1858}
( segid "A " and resid 41 and name HD2%)
( segid "A " and resid 45 and name HD1%)
4.100 2.100 1.900 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.36599E-03 ppm1 0.921 ppm2 0.397 CV 1
ASSI { 1904}
(( segid "A " and resid 33 and name HD2 ))
( segid "A " and resid 36 and name HG2%)
2.800 1.000 1.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 3.251 ppm2 0.898 CV 1
ASSI { 1907}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 36 and name HN ))
6.000 5.600 0.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.48669E-04 ppm1 4.889 ppm2 7.457 CV 1
ASSI { 1911}
(( segid "A " and resid 33 and name HG2 ))
( segid "A " and resid 36 and name HG2%)
4.500 2.500 1.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.62102E-03 ppm1 2.294 ppm2 0.902 CV 1
OR { 1911}
(( segid "A " and resid 33 and name HG3 ))
( segid "A " and resid 36 and name HG2%)
ASSI { 1921}
(( segid "A " and resid 34 and name HD2 ))
( segid "A " and resid 36 and name HG1%)
4.100 2.100 1.900 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.18883E-03 ppm1 3.938 ppm2 0.995 CV 1
ASSI { 1929}
(( segid "A " and resid 35 and name HA1 ))
( segid "A " and resid 38 and name HG2%)
5.800 4.200 0.200 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.52563E-04 ppm1 3.781 ppm2 1.405 CV 1
ASSI { 1941}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 41 and name HN ))
6.000 5.700 0.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.52563E-04 ppm1 4.634 ppm2 7.842 CV 1
ASSI { 1942}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 39 and name HD3 ))
6.000 4.600 0.000 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.91496E-04 ppm1 4.634 ppm2 3.930 CV 1
OR { 1942}
(( segid "A " and resid 37 and name HA ))
(( segid "A " and resid 39 and name HD2 ))
ASSI { 1945}
(( segid "A " and resid 37 and name HA ))
( segid "A " and resid 45 and name HD2%)
6.000 6.000 0.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.42829E-04 ppm1 4.638 ppm2 0.626 CV 1
ASSI { 1946}
(( segid "A " and resid 37 and name HA ))
( segid "A " and resid 45 and name HD1%)
6.000 6.000 0.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.42829E-04 ppm1 4.631 ppm2 0.399 CV 1
ASSI { 1977}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 44 and name HG3 ))
6.000 4.500 0.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.54509E-04 ppm1 2.304 ppm2 1.660 CV 1
OR { 1977}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 44 and name HG3 ))
OR { 1977}
(( segid "A " and resid 40 and name HG3 ))
(( segid "A " and resid 44 and name HG2 ))
OR { 1977}
(( segid "A " and resid 40 and name HG2 ))
(( segid "A " and resid 44 and name HG2 ))
ASSI { 1981}
(( segid "A " and resid 41 and name HB3 ))
( segid "A " and resid 45 and name HD2%)
6.000 6.000 0.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.75924E-04 ppm1 1.981 ppm2 0.638 CV 1
OR { 1981}
(( segid "A " and resid 41 and name HB2 ))
( segid "A " and resid 45 and name HD2%)
ASSI { 1985}
(( segid "A " and resid 41 and name HG ))
(( segid "A " and resid 45 and name HA ))
6.000 4.900 0.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.73977E-04 ppm1 1.489 ppm2 3.867 CV 1
ASSI { 1992}
( segid "A " and resid 41 and name HD2%)
( segid "A " and resid 45 and name HD2%)
3.700 1.700 1.700 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.10473E-02 ppm1 0.920 ppm2 0.630 CV 1
ASSI { 2003}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 44 and name HG3 ))
6.000 4.900 0.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.12459E-03 ppm1 2.067 ppm2 1.705 CV 1
OR { 2003}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 44 and name HG2 ))
OR { 2003}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 44 and name HG3 ))
ASSI { 2005}
(( segid "A " and resid 43 and name HA ))
(( segid "A " and resid 45 and name HN ))
6.000 4.800 0.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.50616E-04 ppm1 4.282 ppm2 8.443 CV 1
ASSI { 2030}
(( segid "A " and resid 45 and name HB3 ))
(( segid "A " and resid 47 and name HN ))
4.000 2.000 2.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.47501E-03 ppm1 1.719 ppm2 8.198 CV 1
OR { 2030}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 47 and name HN ))
ASSI { 2037}
(( segid "A " and resid 47 and name HA1 ))
( segid "A " and resid 52 and name HD1%)
5.300 3.500 0.700 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.91496E-04 ppm1 3.937 ppm2 0.849 CV 1
ASSI { 2039}
( segid "A " and resid 48 and name HB% )
(( segid "A " and resid 51 and name HN ))
3.800 1.800 1.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.72420E-03 ppm1 1.401 ppm2 8.254 CV 1
ASSI { 2040}
( segid "A " and resid 48 and name HB% )
(( segid "A " and resid 52 and name HN ))
4.200 2.200 1.800 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.53731E-03 ppm1 1.391 ppm2 8.645 CV 1
ASSI { 2071}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 55 and name HB2 ))
5.700 4.000 0.300 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.64243E-04 ppm1 2.434 ppm2 1.744 CV 1
OR { 2071}
(( segid "A " and resid 51 and name HG3 ))
(( segid "A " and resid 55 and name HB3 ))
OR { 2071}
(( segid "A " and resid 51 and name HG2 ))
(( segid "A " and resid 55 and name HB2 ))
ASSI { 2072}
(( segid "A " and resid 52 and name HA ))
(( segid "A " and resid 55 and name HN ))
3.800 1.800 1.800 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.73782E-03 ppm1 4.041 ppm2 7.700 CV 1
ASSI { 2080}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 56 and name HN ))
3.800 1.800 1.800 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.66385E-03 ppm1 3.506 ppm2 8.683 CV 1
ASSI { 2086}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 56 and name HN ))
4.900 3.000 1.100 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.29786E-03 ppm1 0.887 ppm2 8.691 CV 1
ASSI { 2106}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 60 and name HG3 ))
3.900 1.900 1.900 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.67942E-03 ppm1 4.103 ppm2 2.470 CV 1
OR { 2106}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 60 and name HG2 ))
ASSI { 2132}
(( segid "A " and resid 72 and name HA ))
(( segid "A " and resid 75 and name HN ))
4.400 2.400 1.600 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.46333E-03 ppm1 4.112 ppm2 8.080 CV 1
ASSI { 2144}
(( segid "A " and resid 76 and name HA2 ))
( segid "A " and resid 78 and name HD2%)
6.000 5.000 0.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.52563E-04 ppm1 3.862 ppm2 0.912 CV 1
OR { 2144}
(( segid "A " and resid 76 and name HA2 ))
( segid "A " and resid 78 and name HD1%)
ASSI { 2}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 20 and name HN ))
4.000 2.000 2.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.87413E-03 ppm1 1.489 ppm2 8.880 CV 1
ASSI { 4}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 19 and name HN ))
5.100 3.200 0.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.47501E-03 ppm1 1.492 ppm2 7.843 CV 1
ASSI { 6}
( segid "A " and resid 32 and name HB% )
( segid "A " and resid 30 and name HE% )
3.300 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 1.490 ppm2 7.230 CV 1
ASSI { 7}
( segid "A " and resid 32 and name HB% )
( segid "A " and resid 30 and name HD% )
3.300 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.17988E-02 ppm1 1.490 ppm2 6.746 CV 1
ASSI { 17}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 21 and name HB3 ))
2.400 2.400 3.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.49097E-02 ppm1 6.744 ppm2 1.558 CV 1
OR { 17}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 21 and name HB2 ))
ASSI { 19}
( segid "A " and resid 30 and name HD% )
( segid "A " and resid 21 and name HD1%)
3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.43861E-02 ppm1 6.744 ppm2 0.857 CV 1
ASSI { 40}
( segid "A " and resid 53 and name HD1%)
(( segid "A " and resid 49 and name HA ))
3.500 1.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.51394E-03 ppm1 0.797 ppm2 3.884 CV 1
ASSI { 48}
( segid "A " and resid 53 and name HG2%)
(( segid "A " and resid 50 and name HA ))
4.600 2.600 1.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.12459E-02 ppm1 0.886 ppm2 4.292 CV 1
ASSI { 115}
( segid "A " and resid 30 and name HE% )
(( segid "A " and resid 21 and name HB2 ))
2.500 2.500 3.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.35178E-02 ppm1 7.219 ppm2 1.561 CV 1
OR { 115}
( segid "A " and resid 30 and name HE% )
(( segid "A " and resid 21 and name HB3 ))
ASSI { 117}
( segid "A " and resid 30 and name HE% )
( segid "A " and resid 21 and name HD2%)
3.400 1.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.13939E-02 ppm1 7.219 ppm2 0.856 CV 1
ASSI { 123}
(( segid "A " and resid 30 and name HZ ))
( segid "A " and resid 21 and name HD1%)
4.000 2.000 2.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.64243E-03 ppm1 7.278 ppm2 0.871 CV 1
ASSI { 142}
(( segid "A " and resid 13 and name HD2 ))
( segid "A " and resid 10 and name HD1%)
4.000 2.000 2.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.92665E-03 ppm1 7.831 ppm2 0.826 CV 1
ASSI { 146}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 22 and name HE3 ))
4.400 2.400 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.70862E-03 ppm1 5.851 ppm2 7.096 CV 1
ASSI { 149}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 22 and name HN ))
4.200 2.200 1.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.72225E-03 ppm1 5.851 ppm2 8.596 CV 1
ASSI { 153}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 21 and name HG ))
3.200 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.10220E-02 ppm1 5.852 ppm2 1.667 CV 1
ASSI { 154}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 21 and name HB3 ))
4.000 2.000 2.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.13258E-02 ppm1 5.852 ppm2 1.520 CV 1
OR { 154}
(( segid "A " and resid 30 and name HA ))
(( segid "A " and resid 21 and name HB2 ))
ASSI { 155}
(( segid "A " and resid 30 and name HA ))
( segid "A " and resid 21 and name HD2%)
3.200 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.34964E-02 ppm1 5.852 ppm2 0.862 CV 1
ASSI { 191}
(( segid "A " and resid 32 and name HA ))
( segid "A " and resid 19 and name HG2%)
3.100 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.38643E-02 ppm1 5.218 ppm2 0.873 CV 1
OR { 191}
(( segid "A " and resid 32 and name HA ))
( segid "A " and resid 19 and name HG1%)
ASSI { 198}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 20 and name HN ))
3.700 1.700 1.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.97530E-03 ppm1 5.217 ppm2 8.873 CV 1
ASSI { 238}
(( segid "A " and resid 50 and name HB2 ))
( segid "A " and resid 48 and name HB% )
4.500 2.600 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.73782E-03 ppm1 3.188 ppm2 1.379 CV 1
OR { 238}
(( segid "A " and resid 50 and name HB3 ))
( segid "A " and resid 48 and name HB% )
ASSI { 273}
(( segid "A " and resid 45 and name HA ))
( segid "A " and resid 10 and name HD1%)
2.300 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.13466E-01 ppm1 3.861 ppm2 0.858 CV 1
ASSI { 284}
(( segid "A " and resid 38 and name HB ))
(( segid "A " and resid 36 and name HA ))
3.900 3.900 2.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.17132E-02 ppm1 4.765 ppm2 3.933 CV 1
ASSI { 302}
( segid "A " and resid 59 and name HD1%)
(( segid "A " and resid 20 and name HN ))
3.700 1.800 1.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.32511E-03 ppm1 0.921 ppm2 8.833 CV 1
ASSI { 307}
( segid "A " and resid 41 and name HD2%)
(( segid "A " and resid 38 and name HN ))
3.500 1.600 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.14932E-02 ppm1 0.923 ppm2 7.321 CV 1
ASSI { 309}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 22 and name HZ2 ))
3.600 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.95973E-03 ppm1 0.253 ppm2 7.301 CV 1
OR { 309}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 22 and name HZ2 ))
ASSI { 311}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 22 and name HD1 ))
4.700 2.800 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.25308E-03 ppm1 -0.472 ppm2 6.963 CV 1
OR { 311}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 22 and name HD1 ))
ASSI { 312}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 22 and name HE1 ))
5.000 3.100 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.16936E-03 ppm1 0.259 ppm2 10.655 CV 1
OR { 312}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 22 and name HE1 ))
ASSI { 315}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 24 and name HB3 ))
4.700 2.700 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.43023E-03 ppm1 0.249 ppm2 1.898 CV 1
OR { 315}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 24 and name HB2 ))
OR { 315}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 24 and name HB3 ))
ASSI { 325}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 24 and name HB3 ))
3.600 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.20441E-02 ppm1 1.099 ppm2 1.908 CV 1
OR { 325}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 24 and name HB3 ))
OR { 325}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 24 and name HB2 ))
ASSI { 326}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 24 and name HG2 ))
4.400 2.400 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.72225E-03 ppm1 1.099 ppm2 2.326 CV 1
OR { 326}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 24 and name HG3 ))
OR { 326}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 24 and name HG2 ))
ASSI { 329}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 23 and name HA ))
5.300 3.500 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.27449E-03 ppm1 1.099 ppm2 4.716 CV 1
OR { 329}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 23 and name HA ))
ASSI { 333}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 22 and name HD1 ))
5.000 3.200 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.29007E-03 ppm1 1.096 ppm2 6.976 CV 1
OR { 333}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 22 and name HD1 ))
ASSI { 335}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 22 and name HE1 ))
4.000 2.000 2.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.63659E-03 ppm1 1.097 ppm2 10.658 CV 1
OR { 335}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 22 and name HE1 ))
ASSI { 338}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 24 and name HG2 ))
5.600 3.900 0.400 peak 338 spectrum 1 weight 0.10000E+01 volume 0.31343E-03 ppm1 2.846 ppm2 2.316 CV 1
ASSI { 339}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 24 and name HG2 ))
5.000 3.100 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.30953E-03 ppm1 2.896 ppm2 2.306 CV 1
OR { 339}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 24 and name HG3 ))
ASSI { 340}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 24 and name HB3 ))
3.000 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.17949E-02 ppm1 2.895 ppm2 1.895 CV 1
OR { 340}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 24 and name HB2 ))
ASSI { 341}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 24 and name HB3 ))
4.000 2.000 2.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.18494E-02 ppm1 2.846 ppm2 1.896 CV 1
OR { 341}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 24 and name HB2 ))
ASSI { 342}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 27 and name HG3 ))
4.400 2.500 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.60934E-03 ppm1 2.894 ppm2 1.644 CV 1
OR { 342}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 27 and name HG2 ))
ASSI { 343}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 27 and name HG3 ))
3.500 1.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.74172E-03 ppm1 2.845 ppm2 1.640 CV 1
OR { 343}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 27 and name HG2 ))
ASSI { 349}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 23 and name HA ))
3.700 1.700 1.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.35236E-03 ppm1 2.847 ppm2 4.720 CV 1
ASSI { 350}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 23 and name HA ))
4.500 2.500 1.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.33290E-03 ppm1 2.896 ppm2 4.720 CV 1
ASSI { 352}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 22 and name HZ2 ))
4.700 2.700 1.300 peak 352 spectrum 1 weight 0.10000E+01 volume 0.66190E-03 ppm1 2.845 ppm2 7.276 CV 1
ASSI { 353}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 22 and name HD1 ))
4.700 2.700 1.300 peak 353 spectrum 1 weight 0.10000E+01 volume 0.23750E-03 ppm1 2.894 ppm2 6.969 CV 1
ASSI { 357}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 22 and name HE1 ))
4.100 2.200 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.46333E-03 ppm1 2.893 ppm2 10.653 CV 1
ASSI { 358}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 22 and name HE1 ))
4.900 3.000 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.58597E-03 ppm1 2.842 ppm2 10.657 CV 1
ASSI { 361}
( segid "A " and resid 45 and name HD1%)
( segid "A " and resid 19 and name HG2%)
2.400 0.700 0.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.13174E-01 ppm1 0.403 ppm2 0.883 CV 1
ASSI { 363}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 41 and name HG ))
3.300 1.300 1.300 peak 363 spectrum 1 weight 0.10000E+01 volume 0.34010E-02 ppm1 0.404 ppm2 1.467 CV 1
ASSI { 365}
( segid "A " and resid 45 and name HD1%)
(( segid "B " and resid 30 and name HB3 ))
3.800 1.800 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.32121E-03 ppm1 0.402 ppm2 2.800 CV 1
OR { 365}
( segid "A " and resid 45 and name HD1%)
(( segid "B " and resid 30 and name HB2 ))
OR { 365}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 30 and name HB2 ))
ASSI { 366}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 42 and name HG3 ))
3.500 1.600 1.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.44970E-03 ppm1 0.403 ppm2 2.236 CV 1
OR { 366}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 42 and name HG2 ))
ASSI { 371}
( segid "A " and resid 45 and name HD1%)
( segid "A " and resid 30 and name HE% )
4.500 2.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.40298E-03 ppm1 0.402 ppm2 7.258 CV 1
ASSI { 372}
( segid "A " and resid 45 and name HD1%)
( segid "A " and resid 30 and name HD% )
3.700 1.700 1.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.36989E-03 ppm1 0.403 ppm2 6.750 CV 1
ASSI { 373}
( segid "A " and resid 45 and name HD1%)
(( segid "A " and resid 42 and name HN ))
4.100 2.100 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.18105E-03 ppm1 0.402 ppm2 8.639 CV 1
ASSI { 379}
( segid "A " and resid 45 and name HD2%)
( segid "A " and resid 19 and name HG1%)
2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.19528E-01 ppm1 0.622 ppm2 0.865 CV 1
OR { 379}
( segid "A " and resid 45 and name HD2%)
( segid "A " and resid 19 and name HG2%)
ASSI { 381}
( segid "A " and resid 45 and name HD2%)
( segid "A " and resid 14 and name HB% )
2.700 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.54529E-02 ppm1 0.622 ppm2 1.421 CV 1
ASSI { 385}
( segid "A " and resid 45 and name HD2%)
(( segid "A " and resid 30 and name HZ ))
4.600 2.700 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.38935E-03 ppm1 0.623 ppm2 7.276 CV 1
ASSI { 386}
( segid "A " and resid 45 and name HD2%)
( segid "A " and resid 30 and name HD% )
3.900 3.900 2.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.25113E-03 ppm1 0.621 ppm2 6.740 CV 1
ASSI { 387}
( segid "A " and resid 45 and name HD2%)
(( segid "A " and resid 14 and name HN ))
4.000 2.000 2.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.23361E-03 ppm1 0.623 ppm2 8.823 CV 1
ASSI { 392}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 21 and name HN ))
6.000 4.600 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12849E-03 ppm1 6.742 ppm2 8.154 CV 1
ASSI { 406}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 13 and name HB2 ))
4.500 2.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.23556E-03 ppm1 0.629 ppm2 3.281 CV 1
ASSI { 419}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 14 and name HA ))
4.900 3.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.73977E-03 ppm1 0.804 ppm2 3.743 CV 1
ASSI { 421}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 13 and name HE1 ))
6.000 5.100 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.14990E-03 ppm1 0.801 ppm2 6.583 CV 1
ASSI { 426}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 14 and name HA ))
3.800 1.800 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.69694E-03 ppm1 1.764 ppm2 3.745 CV 1
OR { 426}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 14 and name HA ))
ASSI { 427}
(( segid "A " and resid 29 and name HB3 ))
(( segid "A " and resid 22 and name HZ3 ))
5.700 4.000 0.300 peak 427 spectrum 1 weight 0.10000E+01 volume 0.79818E-04 ppm1 0.247 ppm2 6.725 CV 1
OR { 427}
(( segid "A " and resid 29 and name HB2 ))
(( segid "A " and resid 22 and name HZ3 ))
ASSI { 428}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 24 and name HG2 ))
4.500 2.500 1.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.65606E-03 ppm1 0.959 ppm2 2.334 CV 1
OR { 428}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 24 and name HG3 ))
OR { 428}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 24 and name HG2 ))
ASSI { 432}
(( segid "A " and resid 29 and name HD2 ))
(( segid "A " and resid 27 and name HA ))
3.300 3.300 2.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.74561E-03 ppm1 2.845 ppm2 4.529 CV 1
ASSI { 433}
(( segid "A " and resid 29 and name HD3 ))
(( segid "A " and resid 27 and name HA ))
3.400 3.400 2.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.60934E-03 ppm1 2.896 ppm2 4.531 CV 1
ASSI { 443}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 19 and name HA ))
3.700 1.700 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.11116E-02 ppm1 3.248 ppm2 4.261 CV 1
ASSI { 444}
(( segid "A " and resid 33 and name HD3 ))
(( segid "A " and resid 19 and name HA ))
3.300 1.400 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.15301E-02 ppm1 3.988 ppm2 4.277 CV 1
ASSI { 446}
(( segid "A " and resid 33 and name HD3 ))
(( segid "A " and resid 19 and name HN ))
4.700 2.800 1.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.22582E-03 ppm1 3.986 ppm2 7.846 CV 1
ASSI { 447}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 19 and name HN ))
5.300 3.500 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.12654E-03 ppm1 3.245 ppm2 7.846 CV 1
ASSI { 449}
(( segid "A " and resid 33 and name HD3 ))
(( segid "A " and resid 20 and name HN ))
5.000 3.100 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.29396E-03 ppm1 3.988 ppm2 8.870 CV 1
ASSI { 450}
(( segid "A " and resid 33 and name HD2 ))
(( segid "A " and resid 20 and name HN ))
3.900 1.900 1.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.26281E-03 ppm1 3.249 ppm2 8.870 CV 1
ASSI { 492}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 19 and name HN ))
5.100 3.300 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.17910E-03 ppm1 2.297 ppm2 7.870 CV 1
OR { 492}
(( segid "A " and resid 33 and name HG3 ))
(( segid "A " and resid 19 and name HN ))
ASSI { 494}
( segid "A " and resid 32 and name HB% )
( segid "A " and resid 19 and name HG1%)
2.300 0.700 0.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13337E-01 ppm1 1.490 ppm2 0.873 CV 1
OR { 494}
( segid "A " and resid 32 and name HB% )
( segid "A " and resid 19 and name HG2%)
ASSI { 498}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 20 and name HB2 ))
2.500 2.500 3.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.34166E-02 ppm1 1.490 ppm2 1.973 CV 1
OR { 498}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 20 and name HB3 ))
ASSI { 499}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 30 and name HB3 ))
3.900 1.900 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.24335E-03 ppm1 1.489 ppm2 2.800 CV 1
OR { 499}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 30 and name HB2 ))
ASSI { 505}
( segid "A " and resid 32 and name HB% )
(( segid "A " and resid 30 and name HA ))
4.700 2.800 1.300 peak 505 spectrum 1 weight 0.10000E+01 volume 0.79818E-04 ppm1 1.494 ppm2 5.859 CV 1
ASSI { 508}
(( segid "A " and resid 34 and name HA ))
( segid "A " and resid 32 and name HB% )
4.800 2.900 1.200 peak 508 spectrum 1 weight 0.10000E+01 volume 0.22582E-03 ppm1 4.390 ppm2 1.454 CV 1
ASSI { 556}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 36 and name HA ))
3.000 1.100 1.100 peak 556 spectrum 1 weight 0.10000E+01 volume 0.36638E-02 ppm1 1.372 ppm2 3.932 CV 1
ASSI { 558}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 36 and name HB ))
4.600 2.700 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.58987E-03 ppm1 1.373 ppm2 2.003 CV 1
ASSI { 608}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 22 and name HA ))
5.400 3.600 0.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.21609E-03 ppm1 4.025 ppm2 4.909 CV 1
ASSI { 621}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 50 and name HA ))
6.000 4.600 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.19467E-03 ppm1 3.500 ppm2 4.313 CV 1
ASSI { 683}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 37 and name HA ))
3.700 1.700 1.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.93053E-03 ppm1 1.981 ppm2 4.654 CV 1
OR { 683}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 37 and name HA ))
ASSI { 685}
(( segid "A " and resid 41 and name HB3 ))
(( segid "A " and resid 38 and name HN ))
3.300 1.400 1.400 peak 685 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 1.980 ppm2 7.321 CV 1
OR { 685}
(( segid "A " and resid 41 and name HB2 ))
(( segid "A " and resid 38 and name HN ))
ASSI { 714}
( segid "A " and resid 37 and name HE% )
( segid "A " and resid 30 and name HD% )
2.800 1.000 1.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.18222E-02 ppm1 1.263 ppm2 6.748 CV 1
ASSI { 715}
( segid "A " and resid 37 and name HE% )
( segid "A " and resid 30 and name HE% )
3.000 1.100 1.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.21998E-02 ppm1 1.263 ppm2 7.257 CV 1
ASSI { 716}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 19 and name HN ))
3.900 1.900 1.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.26865E-03 ppm1 1.263 ppm2 7.841 CV 1
ASSI { 718}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 20 and name HN ))
3.700 1.700 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.37767E-03 ppm1 1.260 ppm2 8.923 CV 1
ASSI { 720}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 30 and name HA ))
4.100 2.100 1.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.19273E-03 ppm1 1.264 ppm2 5.843 CV 1
ASSI { 721}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 32 and name HA ))
5.500 3.800 0.500 peak 721 spectrum 1 weight 0.10000E+01 volume 0.22388E-03 ppm1 1.261 ppm2 5.220 CV 1
ASSI { 723}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 19 and name HA ))
3.400 1.500 1.500 peak 723 spectrum 1 weight 0.10000E+01 volume 0.55288E-03 ppm1 1.262 ppm2 4.259 CV 1
ASSI { 725}
( segid "A " and resid 37 and name HE% )
(( segid "A " and resid 33 and name HD3 ))
3.400 3.400 2.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.60739E-03 ppm1 1.263 ppm2 4.022 CV 1
ASSI { 731}
( segid "A " and resid 37 and name HE% )
( segid "A " and resid 19 and name HG2%)
2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.13106E-01 ppm1 1.262 ppm2 0.875 CV 1
ASSI { 754}
(( segid "A " and resid 42 and name HB3 ))
(( segid "A " and resid 39 and name HA ))
2.700 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.48571E-02 ppm1 2.068 ppm2 4.291 CV 1
OR { 754}
(( segid "A " and resid 42 and name HB2 ))
(( segid "A " and resid 39 and name HA ))
ASSI { 760}
(( segid "A " and resid 42 and name HB2 ))
( segid "A " and resid 37 and name HE% )
4.300 2.300 1.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.65411E-03 ppm1 2.073 ppm2 1.278 CV 1
OR { 760}
(( segid "A " and resid 42 and name HB3 ))
( segid "A " and resid 37 and name HE% )
ASSI { 767}
(( segid "A " and resid 42 and name HG3 ))
( segid "A " and resid 37 and name HE% )
4.800 2.900 1.200 peak 767 spectrum 1 weight 0.10000E+01 volume 0.44776E-03 ppm1 2.272 ppm2 1.273 CV 1
OR { 767}
(( segid "A " and resid 42 and name HG2 ))
( segid "A " and resid 37 and name HE% )
ASSI { 795}
(( segid "A " and resid 13 and name HE1 ))
( segid "A " and resid 10 and name HD1%)
3.300 1.400 1.400 peak 795 spectrum 1 weight 0.10000E+01 volume 0.22251E-02 ppm1 6.593 ppm2 0.849 CV 1
ASSI { 796}
( segid "A " and resid 41 and name HD2%)
(( segid "A " and resid 13 and name HE1 ))
4.500 2.500 1.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.53341E-03 ppm1 0.922 ppm2 6.592 CV 1
ASSI { 839}
(( segid "A " and resid 31 and name HG2 ))
(( segid "A " and resid 22 and name HH2 ))
4.000 2.000 2.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.17676E-02 ppm1 2.485 ppm2 6.884 CV 1
OR { 839}
(( segid "A " and resid 31 and name HG3 ))
(( segid "A " and resid 22 and name HH2 ))
ASSI { 875}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 23 and name HA ))
3.000 1.100 1.100 peak 875 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 4.483 ppm2 4.732 CV 1
ASSI { 893}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 38 and name HN ))
5.600 3.900 0.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.21220E-03 ppm1 4.097 ppm2 7.328 CV 1
ASSI { 912}
(( segid "A " and resid 11 and name HB3 ))
(( segid "A " and resid 8 and name HA1 ))
2.900 1.000 1.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.26593E-02 ppm1 1.685 ppm2 3.555 CV 1
OR { 912}
(( segid "A " and resid 11 and name HB2 ))
(( segid "A " and resid 8 and name HA1 ))
ASSI { 923}
(( segid "A " and resid 13 and name HB3 ))
(( segid "A " and resid 10 and name HB2 ))
4.300 2.300 1.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.89551E-03 ppm1 3.268 ppm2 1.736 CV 1
OR { 923}
(( segid "A " and resid 13 and name HB2 ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 960}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 38 and name HB ))
5.900 4.300 0.100 peak 960 spectrum 1 weight 0.10000E+01 volume 0.16353E-03 ppm1 4.069 ppm2 4.746 CV 1
ASSI { 983}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 50 and name HB3 ))
4.900 3.000 1.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.35626E-03 ppm1 1.864 ppm2 3.190 CV 1
OR { 983}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 50 and name HB2 ))
ASSI { 990}
(( segid "A " and resid 53 and name HB ))
(( segid "A " and resid 51 and name HN ))
4.300 2.300 1.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.14017E-03 ppm1 1.863 ppm2 8.256 CV 1
ASSI { 998}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 7 and name HA ))
2.700 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.47774E-02 ppm1 1.749 ppm2 4.055 CV 1
OR { 998}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 7 and name HA ))
ASSI { 1012}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 56 and name HB3 ))
3.400 3.400 2.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.53925E-03 ppm1 2.563 ppm2 1.541 CV 1
OR { 1012}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 56 and name HB2 ))
OR { 1012}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 1016}
(( segid "A " and resid 58 and name HB3 ))
(( segid "A " and resid 20 and name HA ))
4.800 2.800 1.200 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.28422E-03 ppm1 2.368 ppm2 5.069 CV 1
OR { 1016}
(( segid "A " and resid 58 and name HB2 ))
(( segid "A " and resid 20 and name HA ))
ASSI { 1019}
(( segid "A " and resid 58 and name HB3 ))
( segid "A " and resid 55 and name HD2%)
3.100 1.200 1.200 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.97925E-03 ppm1 2.370 ppm2 0.919 CV 1
OR { 1019}
(( segid "A " and resid 58 and name HB2 ))
( segid "A " and resid 55 and name HD2%)
ASSI { 1031}
(( segid "A " and resid 24 and name HG2 ))
(( segid "A " and resid 22 and name HE1 ))
4.000 2.000 2.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 2.265 ppm2 10.640 CV 1
OR { 1031}
(( segid "A " and resid 24 and name HG3 ))
(( segid "A " and resid 22 and name HE1 ))
ASSI { 1032}
(( segid "A " and resid 24 and name HB2 ))
(( segid "A " and resid 22 and name HE1 ))
3.700 1.700 1.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 1.859 ppm2 10.658 CV 1
OR { 1032}
(( segid "A " and resid 24 and name HB3 ))
(( segid "A " and resid 22 and name HE1 ))
ASSI { 1043}
( segid "A " and resid 30 and name HD% )
(( segid "A " and resid 19 and name HA ))
5.700 4.000 0.300 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.14601E-03 ppm1 6.746 ppm2 4.247 CV 1
ASSI { 1098}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 21 and name HG ))
4.200 2.200 1.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.95392E-03 ppm1 2.765 ppm2 1.672 CV 1
OR { 1098}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 21 and name HG ))
ASSI { 1107}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 54 and name HN ))
5.500 3.700 0.500 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.15964E-03 ppm1 0.706 ppm2 7.327 CV 1
ASSI { 1108}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 22 and name HD1 ))
4.300 2.300 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.14406E-03 ppm1 0.708 ppm2 6.997 CV 1
ASSI { 1110}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 21 and name HA ))
3.700 3.700 2.300 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.36793E-03 ppm1 0.707 ppm2 5.586 CV 1
ASSI { 1113}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 53 and name HA ))
3.300 1.400 1.400 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.15964E-02 ppm1 0.707 ppm2 3.499 CV 1
ASSI { 1114}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 22 and name HB3 ))
4.600 2.700 1.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.32900E-03 ppm1 0.707 ppm2 3.241 CV 1
OR { 1114}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 22 and name HB2 ))
ASSI { 1118}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 53 and name HA ))
4.700 2.800 1.300 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.75924E-03 ppm1 1.000 ppm2 3.493 CV 1
ASSI { 1120}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 22 and name HA ))
3.600 1.700 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.15808E-02 ppm1 1.001 ppm2 4.905 CV 1
ASSI { 1121}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 21 and name HA ))
4.200 2.200 1.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.15574E-03 ppm1 1.003 ppm2 5.590 CV 1
ASSI { 1123}
( segid "A " and resid 56 and name HD1%)
(( segid "A " and resid 22 and name HD1 ))
4.100 2.100 1.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.20051E-03 ppm1 1.002 ppm2 7.022 CV 1
ASSI { 1146}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 22 and name HD1 ))
4.900 3.000 1.100 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.22777E-03 ppm1 4.666 ppm2 6.981 CV 1
ASSI { 1185}
(( segid "A " and resid 27 and name HB3 ))
(( segid "A " and resid 24 and name HN ))
4.800 2.900 1.200 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.23361E-03 ppm1 1.739 ppm2 8.646 CV 1
OR { 1185}
(( segid "A " and resid 27 and name HB2 ))
(( segid "A " and resid 24 and name HN ))
ASSI { 1199}
(( segid "A " and resid 28 and name HB2 ))
(( segid "A " and resid 23 and name HB ))
3.100 1.200 1.200 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.33153E-02 ppm1 1.278 ppm2 1.928 CV 1
OR { 1199}
(( segid "A " and resid 28 and name HB3 ))
(( segid "A " and resid 23 and name HB ))
ASSI { 1212}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 21 and name HA ))
4.400 2.400 1.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.45554E-03 ppm1 0.800 ppm2 5.589 CV 1
ASSI { 1214}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 22 and name HA ))
4.700 2.800 1.300 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.24529E-03 ppm1 0.800 ppm2 4.909 CV 1
ASSI { 1215}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 23 and name HA ))
4.200 2.200 1.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.64243E-03 ppm1 0.800 ppm2 4.727 CV 1
ASSI { 1218}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 22 and name HB3 ))
3.100 3.100 2.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.93448E-03 ppm1 0.800 ppm2 3.504 CV 1
OR { 1218}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 22 and name HB2 ))
ASSI { 1221}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 24 and name HB3 ))
3.300 3.300 2.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.49448E-02 ppm1 0.800 ppm2 1.919 CV 1
OR { 1221}
( segid "A " and resid 28 and name HD2%)
(( segid "A " and resid 24 and name HB2 ))
ASSI { 1230}
(( segid "A " and resid 53 and name HG13))
(( segid "A " and resid 50 and name HA ))
4.400 2.500 1.600 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.34847E-03 ppm1 0.800 ppm2 4.308 CV 1
ASSI { 1248}
(( segid "A " and resid 41 and name HG ))
(( segid "A " and resid 37 and name HA ))
6.000 4.800 0.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.19663E-03 ppm1 1.489 ppm2 4.668 CV 1
ASSI { 1272}
(( segid "A " and resid 20 and name HG3 ))
(( segid "A " and resid 18 and name HA1 ))
3.700 1.700 1.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.80012E-03 ppm1 1.796 ppm2 4.301 CV 1
OR { 1272}
(( segid "A " and resid 20 and name HG2 ))
(( segid "A " and resid 18 and name HA1 ))
ASSI { 1300}
(( segid "A " and resid 37 and name HG2 ))
( segid "A " and resid 30 and name HD% )
4.000 2.000 2.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.20636E-03 ppm1 2.517 ppm2 6.760 CV 1
OR { 1300}
(( segid "A " and resid 37 and name HG3 ))
( segid "A " and resid 30 and name HD% )
ASSI { 1314}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 15 and name HA ))
4.200 2.200 1.800 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.79622E-03 ppm1 2.677 ppm2 4.477 CV 1
OR { 1314}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 15 and name HA ))
ASSI { 1319}
(( segid "A " and resid 58 and name HG3 ))
( segid "A " and resid 15 and name HB% )
3.400 1.500 1.500 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.19740E-02 ppm1 2.676 ppm2 1.541 CV 1
OR { 1319}
(( segid "A " and resid 58 and name HG2 ))
( segid "A " and resid 15 and name HB% )
ASSI { 1324}
(( segid "A " and resid 58 and name HG2 ))
( segid "A " and resid 55 and name HD2%)
2.800 2.800 3.200 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 2.513 ppm2 0.905 CV 1
OR { 1324}
(( segid "A " and resid 58 and name HG3 ))
( segid "A " and resid 55 and name HD2%)
ASSI { 1361}
(( segid "A " and resid 66 and name HA2 ))
(( segid "A " and resid 64 and name HB2 ))
3.900 1.900 1.900 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.23750E-03 ppm1 4.067 ppm2 1.983 CV 1
OR { 1361}
(( segid "A " and resid 66 and name HA2 ))
(( segid "A " and resid 64 and name HB3 ))
ASSI { 1386}
( segid "A " and resid 11 and name HD2%)
(( segid "A " and resid 8 and name HA1 ))
5.200 3.300 0.800 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.48279E-03 ppm1 0.961 ppm2 3.552 CV 1
ASSI { 1411}
(( segid "A " and resid 11 and name HG ))
(( segid "A " and resid 8 and name HA1 ))
4.100 2.100 1.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.80206E-03 ppm1 1.710 ppm2 3.550 CV 1
ASSI { 1420}
( segid "A " and resid 56 and name HD2%)
(( segid "A " and resid 23 and name HA ))
3.300 3.300 2.700 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.67163E-03 ppm1 0.711 ppm2 4.718 CV 1
ASSI { 1428}
(( segid "A " and resid 56 and name HB3 ))
(( segid "A " and resid 53 and name HA ))
3.200 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.20363E-02 ppm1 1.903 ppm2 3.514 CV 1
OR { 1428}
(( segid "A " and resid 56 and name HB2 ))
(( segid "A " and resid 53 and name HA ))
ASSI { 1457}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 22 and name HH2 ))
3.000 1.100 1.100 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.30447E-02 ppm1 2.272 ppm2 6.894 CV 1
OR { 1457}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 22 and name HH2 ))
ASSI { 1459}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 22 and name HE3 ))
4.500 2.500 1.500 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.60349E-03 ppm1 2.275 ppm2 7.104 CV 1
ASSI { 1465}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 20 and name HD2 ))
3.900 1.900 1.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.83710E-03 ppm1 2.274 ppm2 3.234 CV 1
OR { 1465}
(( segid "A " and resid 31 and name HB3 ))
(( segid "A " and resid 20 and name HD3 ))
OR { 1465}
(( segid "A " and resid 31 and name HB2 ))
(( segid "A " and resid 20 and name HD2 ))
ASSI { 1468}
(( segid "A " and resid 31 and name HB3 ))
( segid "A " and resid 19 and name HG2%)
4.300 2.400 1.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.97925E-03 ppm1 2.274 ppm2 0.881 CV 1
OR { 1468}
(( segid "A " and resid 31 and name HB2 ))
( segid "A " and resid 19 and name HG2%)
ASSI { 1469}
(( segid "A " and resid 58 and name HG2 ))
(( segid "A " and resid 20 and name HA ))
5.100 3.300 0.900 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.17132E-03 ppm1 2.518 ppm2 5.066 CV 1
OR { 1469}
(( segid "A " and resid 58 and name HG3 ))
(( segid "A " and resid 20 and name HA ))
ASSI { 1485}
( segid "A " and resid 17 and name HD2%)
(( segid "A " and resid 13 and name HB2 ))
4.100 2.100 1.900 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.17716E-03 ppm1 0.807 ppm2 3.265 CV 1
ASSI { 1491}
(( segid "A " and resid 45 and name HB2 ))
(( segid "A " and resid 42 and name HE22))
4.700 2.700 1.300 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.29007E-03 ppm1 0.995 ppm2 7.272 CV 1
OR { 1491}
(( segid "A " and resid 45 and name HB3 ))
(( segid "A " and resid 42 and name HE22))
ASSI { 1499}
( segid "A " and resid 19 and name HG1%)
(( segid "A " and resid 14 and name HA ))
3.700 1.800 1.800 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.21823E-02 ppm1 0.868 ppm2 3.742 CV 1
ASSI { 1511}
( segid "A " and resid 12 and name HB% )
(( segid "A " and resid 8 and name HA2 ))
2.600 2.600 3.400 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.29260E-02 ppm1 1.536 ppm2 3.801 CV 1
ASSI { 1512}
( segid "A " and resid 12 and name HB% )
(( segid "A " and resid 8 and name HA1 ))
2.800 2.800 3.200 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 1.535 ppm2 3.554 CV 1
ASSI { 1534}
(( segid "A " and resid 50 and name HD2 ))
(( segid "A " and resid 48 and name HA ))
6.000 5.600 0.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.93448E-04 ppm1 8.071 ppm2 4.954 CV 1
ASSI { 1537}
(( segid "A " and resid 50 and name HD2 ))
( segid "A " and resid 48 and name HB% )
5.600 3.900 0.400 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.12459E-03 ppm1 8.072 ppm2 1.364 CV 1
ASSI { 1539}
(( segid "A " and resid 51 and name HB3 ))
(( segid "A " and resid 48 and name HA ))
5.200 3.400 0.800 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.40688E-03 ppm1 2.020 ppm2 4.950 CV 1
OR { 1539}
(( segid "A " and resid 51 and name HB2 ))
(( segid "A " and resid 48 and name HA ))
ASSI { 1542}
(( segid "A " and resid 37 and name HB2 ))
(( segid "A " and resid 30 and name HZ ))
4.200 2.200 1.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.13705E-02 ppm1 2.178 ppm2 7.293 CV 1
OR { 1542}
(( segid "A " and resid 37 and name HB3 ))
(( segid "A " and resid 30 and name HZ ))
ASSI { 1549}
(( segid "A " and resid 52 and name HG ))
(( segid "A " and resid 48 and name HN ))
4.000 2.000 2.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.38935E-03 ppm1 1.800 ppm2 7.293 CV 1
ASSI { 1551}
(( segid "A " and resid 52 and name HG ))
( segid "A " and resid 48 and name HB% )
2.900 2.900 3.100 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.41330E-02 ppm1 1.801 ppm2 1.406 CV 1
ASSI { 1565}
( segid "A " and resid 45 and name HD1%)
( segid "A " and resid 41 and name HD1%)
2.600 2.600 3.400 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.26028E-02 ppm1 0.402 ppm2 0.967 CV 1
ASSI { 1590}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 75 and name HB3 ))
4.400 2.400 1.600 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.12070E-03 ppm1 4.552 ppm2 2.856 CV 1
OR { 1590}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 1611}
(( segid "A " and resid 27 and name HG3 ))
(( segid "A " and resid 24 and name HN ))
5.700 4.100 0.300 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.11486E-03 ppm1 1.615 ppm2 8.641 CV 1
OR { 1611}
(( segid "A " and resid 27 and name HG2 ))
(( segid "A " and resid 24 and name HN ))
ASSI { 1620}
(( segid "A " and resid 66 and name HA1 ))
(( segid "A " and resid 64 and name HB2 ))
4.500 2.600 1.500 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.10318E-03 ppm1 3.978 ppm2 1.987 CV 1
OR { 1620}
(( segid "A " and resid 66 and name HA1 ))
(( segid "A " and resid 64 and name HB3 ))
ASSI { 1645}
(( segid "A " and resid 61 and name HD3 ))
( segid "A " and resid 56 and name HD1%)
4.900 3.000 1.100 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.66190E-04 ppm1 3.564 ppm2 0.996 CV 1
OR { 1645}
(( segid "A " and resid 61 and name HD2 ))
( segid "A " and resid 56 and name HD1%)
ASSI { 1692}
(( segid "A " and resid 44 and name HD2 ))
(( segid "A " and resid 40 and name HG2 ))
4.000 2.000 2.000 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.21998E-03 ppm1 3.166 ppm2 2.300 CV 1
OR { 1692}
(( segid "A " and resid 44 and name HD2 ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 1693}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 40 and name HG2 ))
4.200 2.200 1.800 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.16548E-03 ppm1 3.104 ppm2 2.300 CV 1
OR { 1693}
(( segid "A " and resid 44 and name HD3 ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 1697}
(( segid "A " and resid 27 and name HD3 ))
( segid "A " and resid 23 and name HG2%)
3.500 3.500 2.500 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.28793E-02 ppm1 3.177 ppm2 0.880 CV 1
OR { 1697}
(( segid "A " and resid 27 and name HD2 ))
( segid "A " and resid 23 and name HG2%)
ASSI { 1700}
(( segid "A " and resid 27 and name HD3 ))
(( segid "A " and resid 24 and name HN ))
5.900 4.300 0.100 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.13238E-03 ppm1 3.181 ppm2 8.634 CV 1
OR { 1700}
(( segid "A " and resid 27 and name HD2 ))
(( segid "A " and resid 24 and name HN ))
ASSI { 1728}
(( segid "A " and resid 30 and name HB2 ))
( segid "A " and resid 21 and name HD2%)
3.800 1.800 1.800 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.12167E-02 ppm1 2.822 ppm2 0.860 CV 1
OR { 1728}
(( segid "A " and resid 30 and name HB3 ))
( segid "A " and resid 21 and name HD2%)
ASSI { 1732}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 21 and name HB3 ))
4.400 2.400 1.600 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.13043E-03 ppm1 2.831 ppm2 1.510 CV 1
OR { 1732}
(( segid "A " and resid 30 and name HB3 ))
(( segid "A " and resid 21 and name HB3 ))
OR { 1732}
(( segid "A " and resid 30 and name HB2 ))
(( segid "A " and resid 21 and name HB2 ))
ASSI { 1750}
(( segid "A " and resid 16 and name HB3 ))
(( segid "A " and resid 13 and name HB2 ))
6.000 5.900 0.000 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.48669E-04 ppm1 4.110 ppm2 3.305 CV 1
OR { 1750}
(( segid "A " and resid 16 and name HB2 ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 1754}
(( segid "A " and resid 36 and name HB ))
( segid "A " and resid 32 and name HB% )
4.300 2.300 1.700 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.98313E-03 ppm1 1.982 ppm2 1.491 CV 1
ASSI { 1762}
(( segid "A " and resid 51 and name HG2 ))
( segid "A " and resid 48 and name HB% )
4.500 2.600 1.500 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.63659E-03 ppm1 2.430 ppm2 1.409 CV 1
OR { 1762}
(( segid "A " and resid 51 and name HG3 ))
( segid "A " and resid 48 and name HB% )
ASSI { 1768}
(( segid "A " and resid 51 and name HB3 ))
( segid "A " and resid 48 and name HB% )
3.400 1.500 1.500 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.13296E-02 ppm1 2.020 ppm2 1.397 CV 1
OR { 1768}
(( segid "A " and resid 51 and name HB2 ))
( segid "A " and resid 48 and name HB% )
ASSI { 1778}
( segid "A " and resid 54 and name HB% )
(( segid "A " and resid 50 and name HB2 ))
3.700 1.700 1.700 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.37183E-03 ppm1 1.500 ppm2 3.195 CV 1
OR { 1778}
( segid "A " and resid 54 and name HB% )
(( segid "A " and resid 50 and name HB3 ))
ASSI { 1779}
( segid "A " and resid 9 and name HB% )
(( segid "A " and resid 6 and name HA ))
3.200 1.300 1.300 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.87212E-03 ppm1 1.495 ppm2 4.484 CV 1
ASSI { 1796}
( segid "A " and resid 10 and name HD2%)
( segid "A " and resid 7 and name HB% )
2.700 2.700 3.300 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.25269E-02 ppm1 0.815 ppm2 1.389 CV 1
ASSI { 1809}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 8 and name HA1 ))
4.700 2.700 1.300 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.85655E-04 ppm1 4.090 ppm2 3.550 CV 1
ASSI { 1831}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 13 and name HB2 ))
6.000 5.700 0.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.46722E-04 ppm1 1.748 ppm2 3.352 CV 1
OR { 1831}
(( segid "A " and resid 17 and name HB3 ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 1842}
(( segid "A " and resid 33 and name HG3 ))
(( segid "A " and resid 18 and name HA1 ))
3.600 1.600 1.600 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.42829E-03 ppm1 2.289 ppm2 4.308 CV 1
OR { 1842}
(( segid "A " and resid 33 and name HG2 ))
(( segid "A " and resid 18 and name HA1 ))
ASSI { 1869}
(( segid "A " and resid 28 and name HA ))
( segid "A " and resid 23 and name HG1%)
3.100 3.100 2.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.10006E-02 ppm1 4.484 ppm2 0.933 CV 1
ASSI { 1877}
( segid "A " and resid 28 and name HD1%)
(( segid "A " and resid 22 and name HB2 ))
4.100 2.100 1.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.18105E-03 ppm1 0.813 ppm2 3.504 CV 1
OR { 1877}
( segid "A " and resid 28 and name HD1%)
(( segid "A " and resid 22 and name HB3 ))
ASSI { 1879}
( segid "A " and resid 28 and name HD1%)
(( segid "A " and resid 23 and name HA ))
5.800 4.200 0.200 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.12264E-03 ppm1 0.812 ppm2 4.725 CV 1
ASSI { 1881}
( segid "A " and resid 28 and name HD1%)
(( segid "A " and resid 22 and name HA ))
6.000 4.600 0.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.64243E-04 ppm1 0.812 ppm2 4.920 CV 1
ASSI { 1882}
( segid "A " and resid 28 and name HD1%)
(( segid "A " and resid 24 and name HN ))
4.900 3.000 1.100 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.62296E-03 ppm1 0.821 ppm2 8.648 CV 1
ASSI { 1883}
(( segid "A " and resid 29 and name HG2 ))
(( segid "A " and resid 23 and name HA ))
6.000 4.500 0.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.13043E-03 ppm1 0.957 ppm2 4.714 CV 1
OR { 1883}
(( segid "A " and resid 29 and name HG3 ))
(( segid "A " and resid 23 and name HA ))
ASSI { 1887}
( segid "A " and resid 30 and name HE% )
(( segid "A " and resid 20 and name HB2 ))
6.000 5.400 0.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.64243E-04 ppm1 7.220 ppm2 1.997 CV 1
OR { 1887}
( segid "A " and resid 30 and name HE% )
(( segid "A " and resid 20 and name HB3 ))
ASSI { 1896}
(( segid "A " and resid 31 and name HG3 ))
( segid "A " and resid 19 and name HG2%)
5.500 3.700 0.500 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.19857E-03 ppm1 2.558 ppm2 0.903 CV 1
OR { 1896}
(( segid "A " and resid 31 and name HG2 ))
( segid "A " and resid 19 and name HG2%)
ASSI { 1898}
(( segid "A " and resid 32 and name HA ))
( segid "A " and resid 30 and name HD% )
5.900 4.400 0.100 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.73977E-04 ppm1 5.222 ppm2 6.757 CV 1
ASSI { 1899}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 19 and name HN ))
6.000 5.000 0.000 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.72030E-04 ppm1 5.218 ppm2 7.844 CV 1
ASSI { 1930}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 33 and name HD2 ))
6.000 6.000 0.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.95392E-04 ppm1 3.933 ppm2 3.256 CV 1
ASSI { 1934}
(( segid "A " and resid 36 and name HB ))
(( segid "A " and resid 32 and name HA ))
6.000 5.100 0.000 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.22582E-03 ppm1 1.982 ppm2 5.186 CV 1
ASSI { 1955}
(( segid "A " and resid 37 and name HB2 ))
( segid "A " and resid 30 and name HD% )
4.900 3.000 1.100 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.68136E-04 ppm1 2.175 ppm2 6.759 CV 1
OR { 1955}
(( segid "A " and resid 37 and name HB3 ))
( segid "A " and resid 30 and name HD% )
ASSI { 1956}
(( segid "A " and resid 38 and name HA ))
( segid "A " and resid 36 and name HG2%)
5.400 3.600 0.600 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.52563E-04 ppm1 4.784 ppm2 0.887 CV 1
OR { 1956}
(( segid "A " and resid 38 and name HA ))
( segid "B " and resid 36 and name HG2%)
ASSI { 1957}
( segid "A " and resid 38 and name HG2%)
( segid "A " and resid 36 and name HG2%)
3.600 1.600 1.600 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.42829E-03 ppm1 1.370 ppm2 0.882 CV 1
ASSI { 1958}
( segid "A " and resid 38 and name HG2%)
(( segid "A " and resid 35 and name HA2 ))
5.000 3.100 1.000 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.58403E-04 ppm1 1.382 ppm2 4.230 CV 1
ASSI { 1978}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 13 and name HE1 ))
6.000 5.800 0.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.46722E-04 ppm1 4.107 ppm2 6.593 CV 1
ASSI { 1984}
(( segid "A " and resid 41 and name HG ))
(( segid "A " and resid 13 and name HE1 ))
5.900 4.300 0.100 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.44776E-04 ppm1 1.482 ppm2 6.591 CV 1
ASSI { 1986}
(( segid "A " and resid 41 and name HG ))
( segid "A " and resid 37 and name HE% )
5.900 4.300 0.100 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.22193E-03 ppm1 1.475 ppm2 1.246 CV 1
ASSI { 1987}
( segid "A " and resid 41 and name HD1%)
(( segid "A " and resid 13 and name HA ))
6.000 5.300 0.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.11680E-04 ppm1 0.958 ppm2 4.494 CV 1
ASSI { 1989}
( segid "A " and resid 41 and name HD1%)
(( segid "A " and resid 38 and name HN ))
4.300 2.300 1.700 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.55288E-03 ppm1 0.970 ppm2 7.345 CV 1
ASSI { 1991}
( segid "A " and resid 41 and name HD1%)
(( segid "A " and resid 14 and name HN ))
4.200 2.200 1.800 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.15379E-03 ppm1 0.960 ppm2 8.848 CV 1
ASSI { 1994}
( segid "A " and resid 41 and name HD2%)
(( segid "A " and resid 37 and name HG3 ))
5.400 3.700 0.600 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13822E-03 ppm1 0.927 ppm2 2.268 CV 1
ASSI { 1997}
( segid "A " and resid 59 and name HD1%)
(( segid "A " and resid 20 and name HA ))
4.200 2.200 1.800 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.15379E-03 ppm1 0.933 ppm2 5.049 CV 1
ASSI { 2001}
( segid "A " and resid 41 and name HD2%)
(( segid "A " and resid 37 and name HN ))
3.500 1.500 1.500 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.52952E-03 ppm1 0.928 ppm2 8.651 CV 1
ASSI { 2016}
(( segid "A " and resid 44 and name HA ))
( segid "A " and resid 10 and name HD1%)
4.100 2.100 1.900 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.71251E-03 ppm1 4.113 ppm2 0.834 CV 1
OR { 2016}
(( segid "A " and resid 44 and name HA ))
( segid "A " and resid 10 and name HD2%)
ASSI { 2027}
(( segid "A " and resid 45 and name HB3 ))
( segid "A " and resid 19 and name HG1%)
4.100 2.100 1.900 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.15477E-02 ppm1 0.989 ppm2 0.867 CV 1
OR { 2027}
(( segid "A " and resid 45 and name HB2 ))
( segid "A " and resid 19 and name HG1%)
ASSI { 2031}
(( segid "A " and resid 45 and name HG ))
( segid "A " and resid 41 and name HD1%)
2.800 2.800 3.200 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.17521E-02 ppm1 1.769 ppm2 0.969 CV 1
ASSI { 2032}
(( segid "A " and resid 45 and name HG ))
(( segid "A " and resid 42 and name HA ))
4.800 2.900 1.200 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.19663E-03 ppm1 1.769 ppm2 3.643 CV 1
ASSI { 2074}
(( segid "A " and resid 52 and name HB2 ))
( segid "A " and resid 48 and name HB% )
5.200 3.400 0.800 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.21804E-03 ppm1 1.205 ppm2 1.430 CV 1
OR { 2074}
(( segid "A " and resid 52 and name HB3 ))
( segid "A " and resid 48 and name HB% )
ASSI { 2077}
(( segid "A " and resid 52 and name HG ))
(( segid "A " and resid 48 and name HA ))
5.700 4.100 0.300 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.62296E-04 ppm1 1.802 ppm2 4.943 CV 1
ASSI { 2094}
( segid "A " and resid 54 and name HB% )
(( segid "A " and resid 51 and name HG3 ))
4.400 2.400 1.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.34652E-03 ppm1 1.513 ppm2 2.385 CV 1
ASSI { 2099}
(( segid "A " and resid 56 and name HB2 ))
( segid "A " and resid 23 and name HG1%)
2.800 2.800 3.200 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.17132E-02 ppm1 1.538 ppm2 0.967 CV 1
OR { 2099}
(( segid "A " and resid 56 and name HB3 ))
( segid "A " and resid 23 and name HG1%)
ASSI { 2102}
(( segid "A " and resid 56 and name HG ))
(( segid "A " and resid 53 and name HA ))
5.100 3.200 0.900 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.15574E-03 ppm1 1.860 ppm2 3.503 CV 1
ASSI { 2108}
(( segid "A " and resid 57 and name HB2 ))
( segid "A " and resid 55 and name HD1%)
2.700 2.700 3.300 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.21687E-02 ppm1 1.957 ppm2 0.843 CV 1
OR { 2108}
(( segid "A " and resid 57 and name HB3 ))
( segid "A " and resid 55 and name HD1%)
ASSI { 2118}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 56 and name HB2 ))
4.400 2.400 1.600 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.12070E-03 ppm1 2.477 ppm2 1.549 CV 1
OR { 2118}
(( segid "A " and resid 60 and name HG3 ))
(( segid "A " and resid 56 and name HB3 ))
OR { 2118}
(( segid "A " and resid 60 and name HG2 ))
(( segid "A " and resid 56 and name HB2 ))
ASSI { 2136}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 71 and name HB2 ))
4.800 2.900 1.200 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.72030E-04 ppm1 4.388 ppm2 2.031 CV 1
OR { 2136}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 71 and name HB3 ))
ASSI { 3}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 22 and name HN ))
4.300 2.300 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.54714E-03 ppm1 10.664 ppm2 8.599 CV 1
ASSI { 4}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 22 and name HD1 ))
2.500 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.96128E-02 ppm1 10.664 ppm2 6.984 CV 1
ASSI { 5}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 22 and name HZ2 ))
2.800 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.53115E-02 ppm1 10.664 ppm2 7.277 CV 1
ASSI { 19}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 18 and name HA2 ))
2.800 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.80556E-02 ppm1 7.882 ppm2 3.721 CV 1
ASSI { 20}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 18 and name HA1 ))
2.300 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.92636E-02 ppm1 7.883 ppm2 4.328 CV 1
ASSI { 26}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 17 and name HA ))
2.600 0.800 0.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.61070E-02 ppm1 7.331 ppm2 4.351 CV 1
ASSI { 28}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 17 and name HB2 ))
2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.83796E-02 ppm1 7.331 ppm2 1.766 CV 1
OR { 28}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 17 and name HB3 ))
ASSI { 29}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 17 and name HG ))
2.200 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.10564E-01 ppm1 7.331 ppm2 1.569 CV 1
ASSI { 30}
(( segid "A " and resid 17 and name HN ))
( segid "A " and resid 17 and name HD2%)
3.400 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.44192E-02 ppm1 7.330 ppm2 0.847 CV 1
ASSI { 31}
(( segid "A " and resid 17 and name HN ))
( segid "A " and resid 17 and name HD1%)
3.900 1.900 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.22349E-02 ppm1 7.331 ppm2 0.642 CV 1
ASSI { 37}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 16 and name HA ))
2.600 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.65741E-02 ppm1 8.171 ppm2 4.303 CV 1
ASSI { 38}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 16 and name HB2 ))
2.400 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.99117E-02 ppm1 8.171 ppm2 4.132 CV 1
OR { 38}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 16 and name HB3 ))
ASSI { 50}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 14 and name HA ))
2.900 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.35985E-02 ppm1 8.830 ppm2 3.760 CV 1
ASSI { 54}
(( segid "A " and resid 14 and name HN ))
( segid "A " and resid 14 and name HB% )
2.400 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.91457E-02 ppm1 8.830 ppm2 1.419 CV 1
ASSI { 58}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 13 and name HE1 ))
5.100 3.200 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.36617E-03 ppm1 8.368 ppm2 6.598 CV 1
ASSI { 59}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 13 and name HA ))
2.800 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.43013E-02 ppm1 8.367 ppm2 4.439 CV 1
ASSI { 60}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 13 and name HB3 ))
2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14650E-01 ppm1 8.368 ppm2 3.311 CV 1
OR { 60}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 64}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 31 and name HA ))
2.900 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.25968E-02 ppm1 8.982 ppm2 4.737 CV 1
ASSI { 67}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 31 and name HG2 ))
3.800 1.800 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.17971E-02 ppm1 8.982 ppm2 2.530 CV 1
OR { 67}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 68}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 31 and name HB3 ))
2.700 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.36995E-02 ppm1 8.982 ppm2 2.287 CV 1
OR { 68}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 31 and name HB2 ))
ASSI { 76}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HA ))
2.900 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.35648E-02 ppm1 8.812 ppm2 4.247 CV 1
ASSI { 79}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HB3 ))
2.800 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.38889E-02 ppm1 8.811 ppm2 2.312 CV 1
OR { 79}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HB2 ))
ASSI { 82}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HA ))
3.900 1.900 1.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.59765E-03 ppm1 8.540 ppm2 4.347 CV 1
ASSI { 84}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 32 and name HA ))
3.400 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10059E-02 ppm1 9.134 ppm2 5.232 CV 1
ASSI { 88}
(( segid "A " and resid 32 and name HN ))
( segid "A " and resid 32 and name HB% )
3.100 1.200 1.200 peak 88 spectrum 1 weight 0.10000E+01 volume 0.23612E-02 ppm1 9.134 ppm2 1.502 CV 1
ASSI { 94}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HD2 ))
4.200 2.200 1.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.69866E-03 ppm1 8.875 ppm2 3.258 CV 1
OR { 94}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HD3 ))
ASSI { 97}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HA ))
3.000 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.23064E-02 ppm1 8.875 ppm2 5.081 CV 1
ASSI { 102}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HG2 ))
4.000 2.000 2.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 8.646 ppm2 2.326 CV 1
OR { 102}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HG3 ))
ASSI { 107}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HA1 ))
3.600 1.600 1.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.11700E-02 ppm1 8.411 ppm2 4.023 CV 1
OR { 107}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HA2 ))
ASSI { 109}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 78 and name HA ))
3.400 1.500 1.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 8.056 ppm2 4.288 CV 1
ASSI { 112}
(( segid "A " and resid 78 and name HN ))
( segid "A " and resid 78 and name HD1%)
4.500 2.600 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.50084E-03 ppm1 8.064 ppm2 0.870 CV 1
OR { 112}
(( segid "A " and resid 78 and name HN ))
( segid "A " and resid 78 and name HD2%)
ASSI { 114}
(( segid "A " and resid 70 and name HN ))
( segid "A " and resid 70 and name HB% )
3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.35353E-02 ppm1 8.159 ppm2 1.377 CV 1
ASSI { 118}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 9 and name HA ))
2.800 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.42972E-02 ppm1 7.801 ppm2 4.228 CV 1
ASSI { 122}
(( segid "A " and resid 9 and name HN ))
( segid "A " and resid 9 and name HB% )
2.400 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10985E-01 ppm1 7.801 ppm2 1.506 CV 1
ASSI { 129}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HA2 ))
2.500 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.65615E-02 ppm1 8.464 ppm2 3.804 CV 1
ASSI { 130}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HA1 ))
3.000 1.100 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.49706E-02 ppm1 8.464 ppm2 3.566 CV 1
ASSI { 133}
(( segid "A " and resid 28 and name HN ))
( segid "A " and resid 28 and name HD1%)
3.200 1.300 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.57576E-02 ppm1 8.428 ppm2 0.823 CV 1
OR { 133}
(( segid "A " and resid 28 and name HN ))
( segid "A " and resid 28 and name HD2%)
ASSI { 134}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 28 and name HB3 ))
2.300 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10770E-01 ppm1 8.428 ppm2 1.725 CV 1
OR { 134}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 28 and name HB2 ))
ASSI { 142}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 58 and name HA ))
2.800 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.43140E-02 ppm1 7.664 ppm2 4.333 CV 1
ASSI { 145}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 58 and name HB3 ))
2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.80767E-02 ppm1 7.665 ppm2 2.535 CV 1
OR { 145}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 156}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HD2 ))
4.600 2.600 1.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.99748E-03 ppm1 8.338 ppm2 3.191 CV 1
OR { 156}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HD3 ))
ASSI { 157}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HA ))
2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.67425E-02 ppm1 8.338 ppm2 4.101 CV 1
ASSI { 159}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HG3 ))
3.200 1.300 1.300 peak 159 spectrum 1 weight 0.10000E+01 volume 0.67088E-02 ppm1 8.339 ppm2 1.752 CV 1
OR { 159}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HG2 ))
ASSI { 162}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HB2 ))
2.100 0.500 0.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.15716E-01 ppm1 8.338 ppm2 1.967 CV 1
OR { 162}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HB3 ))
ASSI { 166}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HA ))
2.700 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.48233E-02 ppm1 8.338 ppm2 3.910 CV 1
ASSI { 170}
(( segid "A " and resid 11 and name HN ))
( segid "A " and resid 11 and name HD1%)
3.300 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.75674E-02 ppm1 8.339 ppm2 0.878 CV 1
ASSI { 173}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HA ))
2.600 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.60986E-02 ppm1 7.951 ppm2 4.177 CV 1
ASSI { 177}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HB3 ))
2.200 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.12753E-01 ppm1 7.948 ppm2 1.756 CV 1
OR { 177}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 179}
(( segid "A " and resid 10 and name HN ))
( segid "A " and resid 10 and name HD2%)
3.800 1.800 1.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.38258E-02 ppm1 7.949 ppm2 0.855 CV 1
OR { 179}
(( segid "A " and resid 10 and name HN ))
( segid "A " and resid 10 and name HD1%)
ASSI { 184}
(( segid "A " and resid 12 and name HN ))
( segid "A " and resid 12 and name HB% )
2.300 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.12273E-01 ppm1 7.926 ppm2 1.550 CV 1
ASSI { 185}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 12 and name HA ))
2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.51600E-02 ppm1 7.926 ppm2 4.111 CV 1
ASSI { 191}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 72 and name HA ))
3.300 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 8.094 ppm2 4.118 CV 1
ASSI { 193}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 72 and name HB ))
3.000 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.27357E-02 ppm1 8.095 ppm2 2.081 CV 1
ASSI { 196}
(( segid "A " and resid 72 and name HN ))
( segid "A " and resid 72 and name HG2%)
3.300 1.400 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.28451E-02 ppm1 8.094 ppm2 0.979 CV 1
OR { 196}
(( segid "A " and resid 72 and name HN ))
( segid "A " and resid 72 and name HG1%)
ASSI { 205}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 19 and name HB ))
2.500 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.67803E-02 ppm1 7.846 ppm2 1.910 CV 1
ASSI { 207}
(( segid "A " and resid 19 and name HN ))
( segid "A " and resid 19 and name HG2%)
2.300 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10189E-01 ppm1 7.847 ppm2 0.877 CV 1
ASSI { 213}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HA ))
2.300 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.13368E-01 ppm1 8.037 ppm2 4.095 CV 1
ASSI { 215}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HD2 ))
4.200 2.300 1.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.96802E-03 ppm1 8.036 ppm2 3.142 CV 1
OR { 215}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HD3 ))
ASSI { 217}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HG2 ))
2.200 0.600 0.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.14597E-01 ppm1 8.037 ppm2 1.953 CV 1
OR { 217}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HG3 ))
ASSI { 219}
(( segid "A " and resid 21 and name HN ))
( segid "A " and resid 21 and name HD1%)
2.600 0.900 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.74790E-02 ppm1 8.068 ppm2 0.878 CV 1
ASSI { 225}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 45 and name HA ))
2.800 1.000 1.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.35227E-02 ppm1 8.430 ppm2 3.867 CV 1
ASSI { 228}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 45 and name HB2 ))
2.300 0.600 0.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.12332E-01 ppm1 8.430 ppm2 1.755 CV 1
OR { 228}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 45 and name HB3 ))
ASSI { 230}
(( segid "A " and resid 45 and name HN ))
( segid "A " and resid 45 and name HD2%)
3.700 1.800 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.22686E-02 ppm1 8.431 ppm2 0.635 CV 1
ASSI { 231}
(( segid "A " and resid 45 and name HN ))
( segid "A " and resid 45 and name HD1%)
3.800 1.800 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.19234E-02 ppm1 8.431 ppm2 0.415 CV 1
ASSI { 235}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 46 and name HA2 ))
2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.10072E-01 ppm1 8.195 ppm2 4.000 CV 1
ASSI { 236}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 46 and name HA1 ))
2.400 0.700 0.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.92046E-02 ppm1 8.195 ppm2 3.786 CV 1
ASSI { 241}
(( segid "A " and resid 69 and name HN ))
( segid "A " and resid 69 and name HD2%)
3.300 1.400 1.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.34007E-02 ppm1 8.175 ppm2 0.878 CV 1
OR { 241}
(( segid "A " and resid 69 and name HN ))
( segid "A " and resid 69 and name HD1%)
ASSI { 246}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 43 and name HA ))
2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.56187E-02 ppm1 8.263 ppm2 4.293 CV 1
ASSI { 247}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 43 and name HB2 ))
2.300 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.12033E-01 ppm1 8.263 ppm2 4.044 CV 1
OR { 247}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 43 and name HB3 ))
ASSI { 254}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 15 and name HA ))
2.800 1.000 1.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.42172E-02 ppm1 8.665 ppm2 4.487 CV 1
ASSI { 258}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HA ))
2.800 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.37963E-02 ppm1 8.632 ppm2 3.649 CV 1
ASSI { 259}
(( segid "A " and resid 15 and name HN ))
( segid "A " and resid 15 and name HB% )
2.300 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.14104E-01 ppm1 8.664 ppm2 1.553 CV 1
ASSI { 260}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HG2 ))
3.300 1.400 1.400 peak 260 spectrum 1 weight 0.10000E+01 volume 0.82240E-02 ppm1 8.633 ppm2 2.235 CV 1
OR { 260}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HG3 ))
ASSI { 261}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HB2 ))
2.200 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.14849E-01 ppm1 8.633 ppm2 2.078 CV 1
OR { 261}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 262}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 53 and name HB ))
2.100 0.600 0.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.15042E-01 ppm1 8.547 ppm2 1.892 CV 1
ASSI { 265}
(( segid "A " and resid 53 and name HN ))
( segid "A " and resid 53 and name HD1%)
2.900 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11768E-01 ppm1 8.547 ppm2 0.807 CV 1
ASSI { 270}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 53 and name HA ))
2.900 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.28536E-02 ppm1 8.546 ppm2 3.513 CV 1
ASSI { 278}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 54 and name HA ))
2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.81525E-02 ppm1 7.363 ppm2 4.076 CV 1
ASSI { 282}
(( segid "A " and resid 54 and name HN ))
( segid "A " and resid 54 and name HB% )
2.300 0.700 0.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12643E-01 ppm1 7.363 ppm2 1.512 CV 1
ASSI { 288}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 49 and name HA ))
2.600 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.62585E-02 ppm1 7.212 ppm2 3.895 CV 1
ASSI { 289}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 49 and name HD3 ))
4.300 2.300 1.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.13931E-02 ppm1 7.212 ppm2 3.317 CV 1
OR { 289}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 49 and name HD2 ))
ASSI { 290}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 49 and name HB3 ))
2.400 0.700 0.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 7.212 ppm2 1.969 CV 1
OR { 290}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 49 and name HB2 ))
ASSI { 291}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 49 and name HG2 ))
2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36111E-02 ppm1 7.212 ppm2 1.614 CV 1
OR { 291}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 49 and name HG3 ))
ASSI { 296}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 50 and name HA ))
3.000 1.100 1.100 peak 296 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 8.544 ppm2 4.331 CV 1
ASSI { 297}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 50 and name HB3 ))
2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.50253E-02 ppm1 8.545 ppm2 3.202 CV 1
OR { 297}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 50 and name HB2 ))
ASSI { 308}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 51 and name HA ))
2.800 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.41498E-02 ppm1 8.247 ppm2 4.162 CV 1
ASSI { 309}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 51 and name HG2 ))
3.400 1.400 1.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.53115E-02 ppm1 8.248 ppm2 2.358 CV 1
OR { 309}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 51 and name HG3 ))
ASSI { 310}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 51 and name HB3 ))
2.500 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.61280E-02 ppm1 8.247 ppm2 2.190 CV 1
OR { 310}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 51 and name HB2 ))
ASSI { 317}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 58 and name HA ))
4.400 2.500 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.87964E-03 ppm1 7.183 ppm2 4.327 CV 1
ASSI { 320}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 58 and name HE22))
1.900 0.400 0.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.18351E-01 ppm1 7.183 ppm2 6.762 CV 1
ASSI { 323}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 58 and name HG2 ))
3.200 1.300 1.300 peak 323 spectrum 1 weight 0.10000E+01 volume 0.15194E-02 ppm1 7.185 ppm2 2.661 CV 1
OR { 323}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 324}
(( segid "A " and resid 58 and name HE22))
(( segid "A " and resid 58 and name HG2 ))
4.300 2.300 1.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 6.758 ppm2 2.667 CV 1
OR { 324}
(( segid "A " and resid 58 and name HE22))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 325}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 58 and name HB3 ))
3.600 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.19066E-02 ppm1 7.183 ppm2 2.550 CV 1
OR { 325}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 326}
(( segid "A " and resid 58 and name HE22))
(( segid "A " and resid 58 and name HB3 ))
3.900 1.900 1.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.16582E-02 ppm1 6.761 ppm2 2.547 CV 1
OR { 326}
(( segid "A " and resid 58 and name HE22))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 333}
(( segid "A " and resid 42 and name HE22))
(( segid "A " and resid 42 and name HG3 ))
3.500 1.600 1.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.36743E-02 ppm1 7.274 ppm2 2.257 CV 1
OR { 333}
(( segid "A " and resid 42 and name HE22))
(( segid "A " and resid 42 and name HG2 ))
ASSI { 334}
(( segid "A " and resid 42 and name HE21))
(( segid "A " and resid 42 and name HG3 ))
3.000 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.24495E-02 ppm1 6.815 ppm2 2.256 CV 1
OR { 334}
(( segid "A " and resid 42 and name HE21))
(( segid "A " and resid 42 and name HG2 ))
ASSI { 335}
(( segid "A " and resid 42 and name HE22))
(( segid "A " and resid 42 and name HB2 ))
4.000 2.000 2.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15909E-02 ppm1 7.277 ppm2 2.091 CV 1
OR { 335}
(( segid "A " and resid 42 and name HE22))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 336}
(( segid "A " and resid 42 and name HE21))
(( segid "A " and resid 42 and name HB2 ))
3.700 1.700 1.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 6.818 ppm2 2.088 CV 1
OR { 336}
(( segid "A " and resid 42 and name HE21))
(( segid "A " and resid 42 and name HB3 ))
ASSI { 339}
(( segid "A " and resid 42 and name HE22))
(( segid "A " and resid 42 and name HE21))
1.700 0.400 0.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.30677E-01 ppm1 7.274 ppm2 6.816 CV 1
ASSI { 343}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 27 and name HA ))
2.800 1.000 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.37206E-02 ppm1 7.987 ppm2 4.586 CV 1
ASSI { 347}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 27 and name HD3 ))
4.300 2.300 1.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 7.988 ppm2 3.208 CV 1
OR { 347}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 27 and name HD2 ))
ASSI { 352}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 47 and name HA1 ))
2.100 0.600 0.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.16069E-01 ppm1 8.226 ppm2 3.950 CV 1
ASSI { 363}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 41 and name HA ))
2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.49284E-02 ppm1 7.852 ppm2 4.100 CV 1
ASSI { 366}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 41 and name HB3 ))
2.300 0.700 0.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.87585E-02 ppm1 7.851 ppm2 1.972 CV 1
OR { 366}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 368}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 41 and name HD2%)
3.900 1.900 1.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.27399E-02 ppm1 7.852 ppm2 0.951 CV 1
OR { 368}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 41 and name HD1%)
ASSI { 372}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 40 and name HA ))
2.700 0.900 0.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.50674E-02 ppm1 8.476 ppm2 4.060 CV 1
ASSI { 374}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 40 and name HG2 ))
3.700 1.700 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.35227E-02 ppm1 8.477 ppm2 2.291 CV 1
OR { 374}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 376}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 40 and name HB3 ))
2.600 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.65488E-02 ppm1 8.476 ppm2 1.949 CV 1
OR { 376}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 40 and name HB2 ))
ASSI { 386}
(( segid "A " and resid 38 and name HN ))
( segid "A " and resid 38 and name HG2%)
2.600 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.65488E-02 ppm1 7.335 ppm2 1.384 CV 1
ASSI { 396}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 36 and name HA ))
2.600 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.49412E-02 ppm1 7.441 ppm2 3.949 CV 1
ASSI { 399}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 36 and name HB ))
2.800 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.98948E-02 ppm1 7.441 ppm2 1.992 CV 1
ASSI { 403}
(( segid "A " and resid 36 and name HN ))
( segid "A " and resid 36 and name HG1%)
2.400 0.700 0.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10673E-01 ppm1 7.441 ppm2 0.994 CV 1
ASSI { 407}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 55 and name HA ))
2.400 0.700 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.85606E-02 ppm1 7.723 ppm2 4.136 CV 1
ASSI { 409}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 55 and name HB2 ))
2.300 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.10973E-01 ppm1 7.722 ppm2 1.729 CV 1
OR { 409}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 412}
(( segid "A " and resid 55 and name HN ))
( segid "A " and resid 55 and name HD2%)
3.400 1.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.42593E-02 ppm1 7.722 ppm2 0.884 CV 1
ASSI { 415}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 56 and name HA ))
2.700 0.900 0.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.59512E-02 ppm1 8.684 ppm2 4.046 CV 1
ASSI { 418}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 37 and name HB2 ))
2.200 0.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.11684E-01 ppm1 8.661 ppm2 1.659 CV 1
OR { 418}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 37 and name HB3 ))
ASSI { 419}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 56 and name HB3 ))
1.800 0.400 0.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.43090E-01 ppm1 8.673 ppm2 1.546 CV 1
OR { 419}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 56 and name HB2 ))
ASSI { 420}
(( segid "A " and resid 37 and name HN ))
( segid "A " and resid 37 and name HE% )
3.600 1.700 1.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 8.659 ppm2 1.278 CV 1
ASSI { 422}
(( segid "A " and resid 56 and name HN ))
( segid "A " and resid 56 and name HD2%)
3.600 1.700 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.29503E-02 ppm1 8.685 ppm2 0.736 CV 1
ASSI { 423}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 22 and name HZ3 ))
3.200 3.200 2.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.47643E-02 ppm1 10.666 ppm2 6.769 CV 1
ASSI { 424}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 22 and name HB2 ))
4.700 2.800 1.300 peak 424 spectrum 1 weight 0.10000E+01 volume 0.64395E-03 ppm1 10.664 ppm2 3.260 CV 1
OR { 424}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 22 and name HB3 ))
ASSI { 425}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 22 and name HE3 ))
3.100 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.23527E-02 ppm1 8.602 ppm2 7.090 CV 1
ASSI { 434}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 23 and name HA ))
2.500 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.55051E-02 ppm1 8.550 ppm2 4.740 CV 1
ASSI { 437}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 23 and name HB ))
2.600 0.900 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.67509E-02 ppm1 8.550 ppm2 1.943 CV 1
ASSI { 439}
(( segid "A " and resid 23 and name HN ))
( segid "A " and resid 23 and name HG1%)
2.500 0.800 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.56692E-02 ppm1 8.551 ppm2 0.960 CV 1
ASSI { 445}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 59 and name HA ))
3.200 1.300 1.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.19992E-02 ppm1 7.630 ppm2 4.056 CV 1
ASSI { 449}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HA ))
3.400 1.400 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.15109E-02 ppm1 8.725 ppm2 4.071 CV 1
ASSI { 450}
(( segid "A " and resid 7 and name HN ))
( segid "A " and resid 7 and name HB% )
3.100 1.200 1.200 peak 450 spectrum 1 weight 0.10000E+01 volume 0.29756E-02 ppm1 8.724 ppm2 1.415 CV 1
ASSI { 452}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 69 and name HA ))
2.500 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.81314E-02 ppm1 8.173 ppm2 4.409 CV 1
ASSI { 453}
(( segid "A " and resid 68 and name HN ))
(( segid "A " and resid 68 and name HB2 ))
2.800 1.000 1.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.50632E-02 ppm1 8.346 ppm2 1.627 CV 1
OR { 453}
(( segid "A " and resid 68 and name HN ))
(( segid "A " and resid 68 and name HB3 ))
ASSI { 454}
(( segid "A " and resid 68 and name HN ))
( segid "A " and resid 68 and name HD1%)
4.200 2.200 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 8.345 ppm2 0.893 CV 1
OR { 454}
(( segid "A " and resid 68 and name HN ))
( segid "A " and resid 68 and name HD2%)
ASSI { 459}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 75 and name HA ))
3.700 1.700 1.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.90910E-03 ppm1 8.052 ppm2 4.523 CV 1
ASSI { 461}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 75 and name HB2 ))
3.800 1.900 1.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.88385E-03 ppm1 8.050 ppm2 2.803 CV 1
OR { 461}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 75 and name HB3 ))
ASSI { 465}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 73 and name HA ))
3.600 1.600 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 8.328 ppm2 4.396 CV 1
ASSI { 466}
(( segid "A " and resid 73 and name HN ))
( segid "A " and resid 73 and name HB% )
3.200 1.300 1.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.23190E-02 ppm1 8.329 ppm2 1.419 CV 1
ASSI { 467}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 76 and name HA2 ))
3.400 1.500 1.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.14016E-02 ppm1 8.195 ppm2 3.845 CV 1
ASSI { 468}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 76 and name HA1 ))
3.700 1.700 1.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.96382E-03 ppm1 8.194 ppm2 3.761 CV 1
ASSI { 472}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 77 and name HB2 ))
4.000 2.000 2.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.62290E-03 ppm1 8.135 ppm2 1.841 CV 1
OR { 472}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 77 and name HB3 ))
ASSI { 474}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HD2 ))
3.500 1.600 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.88385E-03 ppm1 8.728 ppm2 2.872 CV 1
OR { 474}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HD3 ))
ASSI { 477}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HG2 ))
3.200 1.300 1.300 peak 477 spectrum 1 weight 0.10000E+01 volume 0.42719E-02 ppm1 8.727 ppm2 0.951 CV 1
OR { 477}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HG3 ))
ASSI { 480}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HB2 ))
2.800 1.000 1.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.31272E-02 ppm1 8.727 ppm2 -0.455 CV 1
OR { 480}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 481}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 25 and name HA2 ))
4.100 2.100 1.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.72812E-03 ppm1 9.194 ppm2 3.752 CV 1
ASSI { 482}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 25 and name HA1 ))
4.300 2.300 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.23990E-03 ppm1 9.188 ppm2 4.012 CV 1
ASSI { 485}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 52 and name HA ))
2.400 0.700 0.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.91247E-02 ppm1 8.661 ppm2 4.088 CV 1
ASSI { 489}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
2.200 0.600 0.600 peak 489 spectrum 1 weight 0.10000E+01 volume 0.12887E-01 ppm1 8.658 ppm2 2.006 CV 1
OR { 489}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 493}
(( segid "A " and resid 52 and name HN ))
( segid "A " and resid 52 and name HD2%)
3.000 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.99370E-02 ppm1 8.661 ppm2 0.871 CV 1
OR { 493}
(( segid "A " and resid 52 and name HN ))
( segid "A " and resid 52 and name HD1%)
ASSI { 494}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HG2 ))
3.800 1.800 1.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 8.812 ppm2 2.213 CV 1
OR { 494}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HG3 ))
ASSI { 501}
(( segid "A " and resid 53 and name HN ))
( segid "A " and resid 53 and name HG2%)
2.700 2.700 3.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.25875E-01 ppm1 8.547 ppm2 0.890 CV 1
ASSI { 502}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 37 and name HA ))
2.500 0.800 0.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.57366E-02 ppm1 8.657 ppm2 4.685 CV 1
ASSI { 525}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 19 and name HA ))
2.400 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.74537E-02 ppm1 7.841 ppm2 4.259 CV 1
ASSI { 528}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HB2 ))
2.100 0.600 0.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.17538E-01 ppm1 8.875 ppm2 2.116 CV 1
OR { 528}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HB3 ))
ASSI { 532}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 21 and name HA ))
3.300 1.400 1.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 8.067 ppm2 5.599 CV 1
ASSI { 536}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 22 and name HZ3 ))
5.200 3.400 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.28199E-03 ppm1 8.606 ppm2 6.774 CV 1
ASSI { 538}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 22 and name HA ))
3.300 1.300 1.300 peak 538 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 8.602 ppm2 4.914 CV 1
ASSI { 544}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 28 and name HG ))
3.700 1.700 1.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.27063E-02 ppm1 8.428 ppm2 1.438 CV 1
ASSI { 547}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HA ))
3.000 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.21802E-02 ppm1 8.728 ppm2 4.343 CV 1
ASSI { 551}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 30 and name HB2 ))
3.900 1.900 1.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.56818E-03 ppm1 7.406 ppm2 2.844 CV 1
OR { 551}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 552}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 30 and name HA ))
3.800 1.800 1.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.57661E-03 ppm1 7.416 ppm2 5.856 CV 1
ASSI { 553}
(( segid "A " and resid 75 and name HD22))
(( segid "A " and resid 75 and name HB3 ))
5.300 3.600 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.33249E-03 ppm1 7.618 ppm2 2.843 CV 1
OR { 553}
(( segid "A " and resid 75 and name HD22))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 556}
(( segid "A " and resid 60 and name HE21))
(( segid "A " and resid 60 and name HG3 ))
3.000 1.100 1.100 peak 556 spectrum 1 weight 0.10000E+01 volume 0.24790E-02 ppm1 7.581 ppm2 2.485 CV 1
OR { 556}
(( segid "A " and resid 60 and name HE21))
(( segid "A " and resid 60 and name HG2 ))
ASSI { 558}
(( segid "A " and resid 60 and name HE21))
(( segid "A " and resid 60 and name HB3 ))
3.500 1.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 7.582 ppm2 1.967 CV 1
OR { 558}
(( segid "A " and resid 60 and name HE21))
(( segid "A " and resid 60 and name HB2 ))
ASSI { 559}
(( segid "A " and resid 60 and name HE22))
(( segid "A " and resid 60 and name HG3 ))
4.100 2.100 1.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 6.983 ppm2 2.483 CV 1
OR { 559}
(( segid "A " and resid 60 and name HE22))
(( segid "A " and resid 60 and name HG2 ))
ASSI { 560}
(( segid "A " and resid 60 and name HE22))
(( segid "A " and resid 60 and name HB3 ))
4.300 2.300 1.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 6.983 ppm2 1.951 CV 1
OR { 560}
(( segid "A " and resid 60 and name HE22))
(( segid "A " and resid 60 and name HB2 ))
ASSI { 561}
(( segid "A " and resid 64 and name HE22))
(( segid "A " and resid 64 and name HG3 ))
5.200 3.400 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.34091E-03 ppm1 7.498 ppm2 2.386 CV 1
OR { 561}
(( segid "A " and resid 64 and name HE22))
(( segid "A " and resid 64 and name HG2 ))
ASSI { 562}
(( segid "A " and resid 64 and name HE21))
(( segid "A " and resid 64 and name HG3 ))
4.800 2.900 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.14731E-03 ppm1 6.839 ppm2 2.374 CV 1
OR { 562}
(( segid "A " and resid 64 and name HE21))
(( segid "A " and resid 64 and name HG2 ))
ASSI { 571}
(( segid "A " and resid 64 and name HE22))
(( segid "A " and resid 64 and name HE21))
1.700 0.300 0.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.40173E-01 ppm1 7.500 ppm2 6.836 CV 1
ASSI { 572}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 58 and name HE21))
5.100 3.200 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.30724E-03 ppm1 7.662 ppm2 7.188 CV 1
ASSI { 573}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 58 and name HG2 ))
3.200 1.300 1.300 peak 573 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 7.666 ppm2 2.647 CV 1
OR { 573}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 579}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 60 and name HA ))
3.400 1.500 1.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 7.529 ppm2 4.721 CV 1
ASSI { 581}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 60 and name HB2 ))
2.900 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.31482E-02 ppm1 7.527 ppm2 1.992 CV 1
OR { 581}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 60 and name HB3 ))
ASSI { 583}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 60 and name HG2 ))
4.400 2.400 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.44192E-03 ppm1 7.527 ppm2 2.487 CV 1
OR { 583}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 60 and name HG3 ))
ASSI { 585}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 35 and name HA2 ))
4.800 2.900 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.30303E-03 ppm1 8.727 ppm2 4.258 CV 1
ASSI { 586}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 35 and name HA1 ))
4.000 2.000 2.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.32408E-03 ppm1 8.716 ppm2 3.776 CV 1
ASSI { 590}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HG3 ))
3.500 1.500 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.13553E-02 ppm1 8.877 ppm2 1.804 CV 1
OR { 590}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HG2 ))
ASSI { 592}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HA ))
1.400 1.400 4.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.25655E+00 ppm1 8.650 ppm2 4.680 CV 1
ASSI { 594}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HB3 ))
2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.95624E-02 ppm1 8.643 ppm2 1.858 CV 1
OR { 594}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HB2 ))
ASSI { 600}
(( segid "A " and resid 36 and name HN ))
( segid "A " and resid 36 and name HG2%)
2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.53578E-02 ppm1 7.446 ppm2 0.886 CV 1
ASSI { 607}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 37 and name HG2 ))
4.300 2.300 1.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.14562E-02 ppm1 8.658 ppm2 2.528 CV 1
OR { 607}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 37 and name HG3 ))
ASSI { 612}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 38 and name HB ))
3.200 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.40825E-02 ppm1 7.336 ppm2 4.770 CV 1
ASSI { 626}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 47 and name HA2 ))
1.900 1.900 4.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.73763E-01 ppm1 8.223 ppm2 4.076 CV 1
ASSI { 630}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 48 and name HA ))
2.900 1.000 1.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.38510E-02 ppm1 7.323 ppm2 4.954 CV 1
ASSI { 636}
(( segid "A " and resid 48 and name HN ))
( segid "A " and resid 48 and name HB% )
2.400 0.700 0.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.10441E-01 ppm1 7.323 ppm2 1.406 CV 1
ASSI { 650}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HB2 ))
2.200 0.600 0.600 peak 650 spectrum 1 weight 0.10000E+01 volume 0.12563E-01 ppm1 8.339 ppm2 1.890 CV 1
OR { 650}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HB3 ))
ASSI { 651}
(( segid "A " and resid 64 and name HN ))
(( segid "A " and resid 64 and name HA ))
3.200 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.21002E-02 ppm1 8.321 ppm2 4.401 CV 1
ASSI { 653}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 67 and name HA ))
4.200 2.200 1.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.39562E-03 ppm1 8.247 ppm2 4.544 CV 1
ASSI { 654}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 67 and name HB2 ))
4.200 2.200 1.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.61027E-03 ppm1 8.253 ppm2 3.607 CV 1
OR { 654}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 67 and name HB3 ))
ASSI { 656}
(( segid "A " and resid 68 and name HN ))
(( segid "A " and resid 68 and name HA ))
3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.23064E-02 ppm1 8.344 ppm2 4.391 CV 1
ASSI { 657}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 69 and name HB3 ))
2.600 0.800 0.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.79630E-02 ppm1 8.174 ppm2 1.602 CV 1
OR { 657}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 69 and name HB2 ))
ASSI { 658}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 70 and name HA ))
3.100 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.21213E-02 ppm1 8.161 ppm2 4.609 CV 1
ASSI { 663}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 77 and name HA ))
4.700 2.800 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.19781E-03 ppm1 8.117 ppm2 4.551 CV 1
ASSI { 679}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 28 and name HA ))
2.800 1.000 1.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.26011E-02 ppm1 8.429 ppm2 4.470 CV 1
ASSI { 685}
(( segid "A " and resid 31 and name HE22))
(( segid "A " and resid 31 and name HG2 ))
4.700 2.700 1.300 peak 685 spectrum 1 weight 0.10000E+01 volume 0.66078E-03 ppm1 7.534 ppm2 2.525 CV 1
OR { 685}
(( segid "A " and resid 31 and name HE22))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 686}
(( segid "A " and resid 31 and name HE22))
(( segid "A " and resid 31 and name HB2 ))
5.800 4.100 0.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.16415E-03 ppm1 7.539 ppm2 2.264 CV 1
OR { 686}
(( segid "A " and resid 31 and name HE22))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 687}
(( segid "A " and resid 31 and name HE21))
(( segid "A " and resid 31 and name HG2 ))
4.000 2.000 2.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.39142E-03 ppm1 6.861 ppm2 2.527 CV 1
OR { 687}
(( segid "A " and resid 31 and name HE21))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 688}
(( segid "A " and resid 31 and name HE21))
(( segid "A " and resid 31 and name HB2 ))
5.200 3.400 0.800 peak 688 spectrum 1 weight 0.10000E+01 volume 0.12206E-03 ppm1 6.866 ppm2 2.264 CV 1
OR { 688}
(( segid "A " and resid 31 and name HE21))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 690}
(( segid "A " and resid 31 and name HE22))
(( segid "A " and resid 31 and name HE21))
2.000 0.500 0.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.11928E-01 ppm1 7.534 ppm2 6.863 CV 1
ASSI { 692}
(( segid "A " and resid 60 and name HE21))
(( segid "A " and resid 60 and name HE22))
1.900 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.16259E-01 ppm1 7.581 ppm2 6.981 CV 1
ASSI { 703}
(( segid "A " and resid 23 and name HN ))
( segid "A " and resid 23 and name HG2%)
4.600 2.700 1.400 peak 703 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 8.551 ppm2 0.880 CV 1
ASSI { 708}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 41 and name HG ))
4.700 2.800 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.63132E-03 ppm1 7.855 ppm2 1.485 CV 1
ASSI { 738}
(( segid "A " and resid 64 and name HE22))
(( segid "A " and resid 64 and name HN ))
6.000 4.500 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.11784E-03 ppm1 7.500 ppm2 8.286 CV 1
ASSI { 739}
(( segid "A " and resid 75 and name HD22))
(( segid "A " and resid 75 and name HD21))
2.500 0.800 0.800 peak 739 spectrum 1 weight 0.10000E+01 volume 0.38174E-02 ppm1 7.615 ppm2 6.936 CV 1
ASSI { 2}
(( segid "A " and resid 31 and name HN ))
( segid "A " and resid 30 and name HD% )
2.600 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.31524E-02 ppm1 8.981 ppm2 6.754 CV 1
ASSI { 15}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 17 and name HB2 ))
3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.32239E-02 ppm1 7.881 ppm2 1.780 CV 1
OR { 15}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 17 and name HB3 ))
ASSI { 16}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 17 and name HG ))
3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.32619E-02 ppm1 7.881 ppm2 1.563 CV 1
ASSI { 18}
(( segid "A " and resid 18 and name HN ))
( segid "A " and resid 17 and name HD1%)
5.100 3.200 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.66499E-03 ppm1 7.883 ppm2 0.648 CV 1
ASSI { 21}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 17 and name HN ))
2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.56145E-02 ppm1 7.882 ppm2 7.327 CV 1
ASSI { 23}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 16 and name HN ))
2.700 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.38636E-02 ppm1 7.330 ppm2 8.166 CV 1
ASSI { 27}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 16 and name HB3 ))
3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.23612E-02 ppm1 7.331 ppm2 4.137 CV 1
OR { 27}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 16 and name HB2 ))
ASSI { 41}
(( segid "A " and resid 16 and name HN ))
( segid "A " and resid 15 and name HB% )
2.700 0.900 0.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.62248E-02 ppm1 8.171 ppm2 1.555 CV 1
ASSI { 43}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 13 and name HN ))
2.700 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.42845E-02 ppm1 8.830 ppm2 8.363 CV 1
ASSI { 46}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 13 and name HE1 ))
4.300 2.300 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.52609E-03 ppm1 8.828 ppm2 6.600 CV 1
ASSI { 47}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 13 and name HA ))
3.300 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 8.829 ppm2 4.446 CV 1
ASSI { 51}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 13 and name HB3 ))
2.800 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.76558E-02 ppm1 8.830 ppm2 3.317 CV 1
OR { 51}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 61}
(( segid "A " and resid 13 and name HN ))
( segid "A " and resid 12 and name HB% )
2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.89563E-02 ppm1 8.365 ppm2 1.550 CV 1
ASSI { 62}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 30 and name HA ))
2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.84849E-02 ppm1 8.982 ppm2 5.861 CV 1
ASSI { 66}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 30 and name HB2 ))
3.200 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.68056E-02 ppm1 8.987 ppm2 2.800 CV 1
OR { 66}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 73}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 30 and name HZ ))
4.900 3.000 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.71549E-03 ppm1 8.982 ppm2 7.286 CV 1
ASSI { 77}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 25 and name HA1 ))
3.500 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.49412E-02 ppm1 8.812 ppm2 4.020 CV 1
ASSI { 78}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 25 and name HA2 ))
2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.38595E-02 ppm1 8.813 ppm2 3.742 CV 1
ASSI { 81}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 2 and name HA ))
3.400 1.500 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 8.540 ppm2 4.494 CV 1
ASSI { 85}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HA ))
2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11300E-01 ppm1 9.134 ppm2 4.735 CV 1
ASSI { 86}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HG3 ))
3.800 1.800 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.10480E-02 ppm1 9.133 ppm2 2.527 CV 1
OR { 86}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HG2 ))
ASSI { 87}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HB2 ))
4.300 2.300 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 9.130 ppm2 2.285 CV 1
OR { 87}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HB3 ))
ASSI { 91}
(( segid "A " and resid 20 and name HN ))
( segid "A " and resid 19 and name HG1%)
2.800 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.63974E-02 ppm1 8.874 ppm2 0.871 CV 1
OR { 91}
(( segid "A " and resid 20 and name HN ))
( segid "A " and resid 19 and name HG2%)
ASSI { 95}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 19 and name HA ))
2.300 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.93057E-02 ppm1 8.874 ppm2 4.257 CV 1
ASSI { 99}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 19 and name HN ))
4.600 2.700 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.57661E-03 ppm1 8.874 ppm2 7.855 CV 1
ASSI { 103}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 23 and name HB ))
3.300 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.78704E-02 ppm1 8.645 ppm2 1.931 CV 1
ASSI { 105}
(( segid "A " and resid 24 and name HN ))
( segid "A " and resid 23 and name HG2%)
2.700 0.900 0.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.68350E-02 ppm1 8.645 ppm2 0.878 CV 1
ASSI { 106}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HA ))
3.600 1.600 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.10859E-02 ppm1 8.412 ppm2 4.345 CV 1
ASSI { 108}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 77 and name HA ))
2.800 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.47938E-02 ppm1 8.056 ppm2 4.561 CV 1
ASSI { 110}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 77 and name HB2 ))
3.200 1.300 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.28662E-02 ppm1 8.055 ppm2 1.825 CV 1
OR { 110}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 77 and name HB3 ))
ASSI { 111}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 77 and name HG3 ))
2.900 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.44192E-02 ppm1 8.056 ppm2 1.613 CV 1
OR { 111}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 77 and name HG2 ))
ASSI { 113}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HB2 ))
3.400 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.25294E-02 ppm1 8.159 ppm2 1.610 CV 1
OR { 113}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HB3 ))
ASSI { 115}
(( segid "A " and resid 70 and name HN ))
( segid "A " and resid 69 and name HD1%)
3.800 1.800 1.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.84596E-03 ppm1 8.160 ppm2 0.865 CV 1
ASSI { 116}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HA ))
2.600 0.900 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.58460E-02 ppm1 8.159 ppm2 4.400 CV 1
ASSI { 119}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HA2 ))
2.900 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.30387E-02 ppm1 7.802 ppm2 3.805 CV 1
ASSI { 120}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HA1 ))
3.600 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.21549E-02 ppm1 7.802 ppm2 3.565 CV 1
ASSI { 124}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HN ))
2.800 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.39647E-02 ppm1 7.801 ppm2 8.462 CV 1
ASSI { 126}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HN ))
3.400 1.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 8.465 ppm2 8.722 CV 1
ASSI { 128}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HA ))
3.200 1.300 1.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.26684E-02 ppm1 8.464 ppm2 4.083 CV 1
ASSI { 131}
(( segid "A " and resid 8 and name HN ))
( segid "A " and resid 7 and name HB% )
2.900 1.000 1.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.41667E-02 ppm1 8.464 ppm2 1.421 CV 1
ASSI { 136}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HB2 ))
3.300 1.400 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.42046E-02 ppm1 8.427 ppm2 1.878 CV 1
OR { 136}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HB3 ))
ASSI { 137}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HD3 ))
3.300 1.400 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.12079E-02 ppm1 8.430 ppm2 3.218 CV 1
OR { 137}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HD2 ))
ASSI { 138}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HA ))
2.200 0.600 0.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11915E-01 ppm1 8.428 ppm2 4.576 CV 1
ASSI { 139}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HN ))
3.800 1.800 1.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.16878E-02 ppm1 8.427 ppm2 8.006 CV 1
ASSI { 140}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HN ))
3.700 1.700 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.19108E-02 ppm1 8.728 ppm2 8.460 CV 1
ASSI { 141}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 66 and name HA1 ))
3.100 1.200 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.27736E-02 ppm1 8.260 ppm2 4.011 CV 1
ASSI { 143}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HA ))
2.800 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.46296E-02 ppm1 7.664 ppm2 4.119 CV 1
ASSI { 144}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HD3 ))
3.600 1.600 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.42509E-03 ppm1 7.668 ppm2 3.192 CV 1
OR { 144}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HD2 ))
ASSI { 147}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HB3 ))
2.600 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.64563E-02 ppm1 7.664 ppm2 1.972 CV 1
OR { 147}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HB2 ))
ASSI { 148}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HG2 ))
3.500 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30555E-02 ppm1 7.662 ppm2 1.764 CV 1
OR { 148}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HG3 ))
ASSI { 154}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 56 and name HN ))
2.600 0.900 0.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.36953E-02 ppm1 8.337 ppm2 8.684 CV 1
ASSI { 160}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 56 and name HB3 ))
3.200 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.26936E-02 ppm1 8.338 ppm2 1.548 CV 1
OR { 160}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 56 and name HB2 ))
ASSI { 164}
(( segid "A " and resid 57 and name HN ))
( segid "A " and resid 56 and name HD2%)
4.300 2.300 1.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.92593E-03 ppm1 8.337 ppm2 0.747 CV 1
ASSI { 169}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 10 and name HB3 ))
2.200 0.600 0.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.14441E-01 ppm1 8.338 ppm2 1.719 CV 1
OR { 169}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 178}
(( segid "A " and resid 10 and name HN ))
( segid "A " and resid 9 and name HB% )
2.500 0.800 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.87627E-02 ppm1 7.948 ppm2 1.518 CV 1
ASSI { 181}
(( segid "A " and resid 12 and name HN ))
( segid "A " and resid 11 and name HD1%)
3.000 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.39268E-02 ppm1 7.927 ppm2 0.892 CV 1
ASSI { 183}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 11 and name HB3 ))
2.600 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.67972E-02 ppm1 7.927 ppm2 1.699 CV 1
OR { 183}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 11 and name HB2 ))
ASSI { 186}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 11 and name HA ))
3.100 1.200 1.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.25000E-02 ppm1 7.927 ppm2 3.906 CV 1
ASSI { 190}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HA ))
2.600 0.800 0.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.77484E-02 ppm1 8.094 ppm2 4.484 CV 1
ASSI { 194}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HB2 ))
3.100 1.200 1.200 peak 194 spectrum 1 weight 0.10000E+01 volume 0.31861E-02 ppm1 8.098 ppm2 1.955 CV 1
OR { 194}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HB3 ))
ASSI { 202}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 18 and name HA1 ))
2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.50295E-02 ppm1 7.849 ppm2 4.314 CV 1
ASSI { 204}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 18 and name HA2 ))
3.400 1.400 1.400 peak 204 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 7.843 ppm2 3.724 CV 1
ASSI { 211}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 43 and name HN ))
2.400 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.81019E-02 ppm1 8.037 ppm2 8.250 CV 1
ASSI { 212}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 43 and name HA ))
3.200 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.22686E-02 ppm1 8.036 ppm2 4.286 CV 1
ASSI { 222}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HN ))
2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.52441E-02 ppm1 8.430 ppm2 8.038 CV 1
ASSI { 224}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HA ))
2.900 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.38973E-02 ppm1 8.430 ppm2 4.110 CV 1
ASSI { 227}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HB2 ))
2.400 0.700 0.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.74537E-02 ppm1 8.430 ppm2 1.943 CV 1
OR { 227}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HB3 ))
ASSI { 239}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 45 and name HB2 ))
2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.70539E-02 ppm1 8.195 ppm2 0.974 CV 1
OR { 239}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 45 and name HB3 ))
ASSI { 242}
(( segid "A " and resid 46 and name HN ))
( segid "A " and resid 45 and name HD2%)
3.500 1.500 1.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.47139E-03 ppm1 8.195 ppm2 0.641 CV 1
ASSI { 243}
(( segid "A " and resid 46 and name HN ))
( segid "A " and resid 45 and name HD1%)
3.500 1.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.47139E-03 ppm1 8.199 ppm2 0.423 CV 1
ASSI { 248}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HA ))
3.500 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 8.262 ppm2 3.649 CV 1
ASSI { 250}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HG3 ))
3.300 1.300 1.300 peak 250 spectrum 1 weight 0.10000E+01 volume 0.39352E-02 ppm1 8.263 ppm2 2.251 CV 1
OR { 250}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HG2 ))
ASSI { 251}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HB3 ))
2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.67131E-02 ppm1 8.263 ppm2 2.084 CV 1
OR { 251}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HB2 ))
ASSI { 253}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 41 and name HN ))
2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.48695E-02 ppm1 8.632 ppm2 7.852 CV 1
ASSI { 255}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 14 and name HA ))
3.100 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.27736E-02 ppm1 8.663 ppm2 3.765 CV 1
ASSI { 264}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
3.000 1.100 1.100 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21843E-02 ppm1 8.549 ppm2 1.223 CV 1
OR { 264}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 268}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 52 and name HA ))
3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.24495E-02 ppm1 8.544 ppm2 4.088 CV 1
ASSI { 274}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 53 and name HN ))
2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.45960E-02 ppm1 7.363 ppm2 8.547 CV 1
ASSI { 279}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 53 and name HA ))
3.500 1.600 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.13342E-02 ppm1 7.364 ppm2 3.510 CV 1
ASSI { 281}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 53 and name HB ))
2.300 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.77610E-02 ppm1 7.364 ppm2 1.885 CV 1
ASSI { 286}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 48 and name HA ))
2.900 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.21254E-02 ppm1 7.213 ppm2 4.954 CV 1
ASSI { 292}
(( segid "A " and resid 49 and name HN ))
( segid "A " and resid 48 and name HB% )
3.000 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.35438E-02 ppm1 7.212 ppm2 1.388 CV 1
ASSI { 298}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 49 and name HB2 ))
3.200 1.300 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.41920E-02 ppm1 8.544 ppm2 1.962 CV 1
OR { 298}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 49 and name HB3 ))
ASSI { 300}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 49 and name HG3 ))
2.900 1.100 1.100 peak 300 spectrum 1 weight 0.10000E+01 volume 0.15320E-02 ppm1 8.545 ppm2 1.354 CV 1
OR { 300}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 49 and name HG2 ))
ASSI { 303}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 50 and name HN ))
2.300 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.66920E-02 ppm1 8.253 ppm2 8.535 CV 1
ASSI { 306}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 50 and name HB2 ))
3.000 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.43098E-02 ppm1 8.248 ppm2 3.202 CV 1
OR { 306}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 50 and name HB3 ))
ASSI { 307}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 50 and name HA ))
3.200 1.300 1.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 8.247 ppm2 4.327 CV 1
ASSI { 315}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 34 and name HA ))
3.400 1.500 1.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.84596E-03 ppm1 8.732 ppm2 4.396 CV 1
ASSI { 337}
(( segid "A " and resid 42 and name HE22))
( segid "A " and resid 41 and name HD2%)
4.300 2.300 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.66499E-03 ppm1 7.274 ppm2 0.880 CV 1
ASSI { 338}
(( segid "A " and resid 42 and name HE21))
( segid "A " and resid 41 and name HD2%)
4.700 2.800 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.40825E-03 ppm1 6.816 ppm2 0.879 CV 1
ASSI { 341}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 26 and name HN ))
2.500 0.800 0.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.44908E-02 ppm1 7.986 ppm2 8.812 CV 1
ASSI { 344}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 26 and name HA ))
3.100 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.35733E-02 ppm1 7.986 ppm2 4.248 CV 1
ASSI { 349}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 26 and name HB3 ))
2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.88342E-02 ppm1 7.986 ppm2 1.902 CV 1
OR { 349}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 26 and name HB2 ))
ASSI { 360}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 40 and name HN ))
2.800 1.000 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.35438E-02 ppm1 7.851 ppm2 8.484 CV 1
ASSI { 365}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 40 and name HG2 ))
3.500 1.500 1.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.22096E-02 ppm1 7.851 ppm2 2.291 CV 1
OR { 365}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 40 and name HG3 ))
ASSI { 371}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HA ))
3.500 1.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.12795E-02 ppm1 8.476 ppm2 4.300 CV 1
ASSI { 379}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HA ))
2.200 2.200 3.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.12198E-01 ppm1 7.336 ppm2 4.655 CV 1
ASSI { 382}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HG3 ))
4.100 2.100 1.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 7.333 ppm2 2.530 CV 1
ASSI { 385}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HB2 ))
3.100 1.200 1.200 peak 385 spectrum 1 weight 0.10000E+01 volume 0.36532E-02 ppm1 7.336 ppm2 1.640 CV 1
OR { 385}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HB3 ))
ASSI { 388}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HN ))
3.100 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 7.336 ppm2 8.642 CV 1
ASSI { 395}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 35 and name HA2 ))
3.200 1.300 1.300 peak 395 spectrum 1 weight 0.10000E+01 volume 0.22895E-02 ppm1 7.440 ppm2 4.241 CV 1
ASSI { 397}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 35 and name HA1 ))
3.000 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.31229E-02 ppm1 7.441 ppm2 3.804 CV 1
ASSI { 404}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 54 and name HN ))
2.700 0.900 0.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.40868E-02 ppm1 7.722 ppm2 7.363 CV 1
ASSI { 410}
(( segid "A " and resid 55 and name HN ))
( segid "A " and resid 54 and name HB% )
2.600 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.67677E-02 ppm1 7.723 ppm2 1.516 CV 1
ASSI { 426}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 21 and name HA ))
2.400 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.67088E-02 ppm1 8.604 ppm2 5.597 CV 1
ASSI { 429}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 21 and name HB3 ))
2.900 1.000 1.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.54336E-02 ppm1 8.601 ppm2 1.540 CV 1
OR { 429}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 21 and name HB2 ))
ASSI { 430}
(( segid "A " and resid 22 and name HN ))
( segid "A " and resid 21 and name HD1%)
3.400 3.400 2.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.78872E-02 ppm1 8.597 ppm2 0.852 CV 1
ASSI { 432}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 22 and name HD1 ))
3.500 1.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.18687E-02 ppm1 8.551 ppm2 6.988 CV 1
ASSI { 433}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 22 and name HA ))
2.400 0.700 0.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.72559E-02 ppm1 8.551 ppm2 4.911 CV 1
ASSI { 435}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 22 and name HB2 ))
2.800 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.65488E-02 ppm1 8.551 ppm2 3.429 CV 1
OR { 435}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 22 and name HB3 ))
ASSI { 441}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HG2 ))
2.900 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.33039E-02 ppm1 7.632 ppm2 2.501 CV 1
OR { 441}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 444}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HA ))
3.600 1.600 1.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.11827E-02 ppm1 7.629 ppm2 4.336 CV 1
ASSI { 451}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 65 and name HA2 ))
2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.84933E-02 ppm1 8.267 ppm2 4.074 CV 1
ASSI { 456}
(( segid "A " and resid 68 and name HN ))
(( segid "A " and resid 67 and name HB2 ))
3.900 1.900 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 8.345 ppm2 3.771 CV 1
OR { 456}
(( segid "A " and resid 68 and name HN ))
(( segid "A " and resid 67 and name HB3 ))
ASSI { 457}
(( segid "A " and resid 68 and name HN ))
(( segid "A " and resid 67 and name HA ))
2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.51516E-02 ppm1 8.346 ppm2 4.543 CV 1
ASSI { 458}
(( segid "A " and resid 74 and name HN ))
(( segid "A " and resid 73 and name HA ))
3.500 1.500 1.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.14773E-02 ppm1 8.396 ppm2 4.394 CV 1
ASSI { 460}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 74 and name HA ))
3.200 1.200 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.24831E-02 ppm1 8.053 ppm2 4.398 CV 1
ASSI { 463}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 74 and name HB3 ))
4.300 2.300 1.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.49664E-03 ppm1 8.052 ppm2 1.800 CV 1
OR { 463}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 74 and name HB2 ))
ASSI { 464}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 72 and name HA ))
2.800 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.41415E-02 ppm1 8.331 ppm2 4.117 CV 1
ASSI { 469}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 75 and name HB3 ))
3.600 1.600 1.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 8.195 ppm2 2.808 CV 1
OR { 469}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 75 and name HB2 ))
ASSI { 471}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 76 and name HA2 ))
3.300 1.300 1.300 peak 471 spectrum 1 weight 0.10000E+01 volume 0.15615E-02 ppm1 8.133 ppm2 3.846 CV 1
ASSI { 473}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HA ))
2.100 0.500 0.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.11898E-01 ppm1 8.727 ppm2 4.496 CV 1
ASSI { 479}
(( segid "A " and resid 29 and name HN ))
( segid "A " and resid 28 and name HD2%)
2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.58124E-02 ppm1 8.726 ppm2 0.826 CV 1
ASSI { 488}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 51 and name HB3 ))
2.600 0.800 0.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.59723E-02 ppm1 8.657 ppm2 2.175 CV 1
OR { 488}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 51 and name HB2 ))
ASSI { 491}
(( segid "A " and resid 15 and name HN ))
( segid "A " and resid 14 and name HB% )
2.400 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10413E-01 ppm1 8.663 ppm2 1.423 CV 1
ASSI { 496}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 45 and name HA ))
2.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.64058E-02 ppm1 8.194 ppm2 3.875 CV 1
ASSI { 497}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HB2 ))
3.600 1.600 1.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.27021E-02 ppm1 8.724 ppm2 1.279 CV 1
OR { 497}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HB3 ))
ASSI { 498}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 23 and name HA ))
2.000 0.500 0.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.16722E-01 ppm1 8.645 ppm2 4.732 CV 1
ASSI { 509}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 54 and name HA ))
2.800 1.000 1.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.54462E-02 ppm1 7.724 ppm2 4.061 CV 1
ASSI { 515}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 12 and name HA ))
3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.28451E-02 ppm1 8.362 ppm2 4.109 CV 1
ASSI { 531}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 20 and name HA ))
2.500 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.68224E-02 ppm1 8.073 ppm2 5.080 CV 1
ASSI { 533}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 20 and name HD3 ))
5.500 3.800 0.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.29462E-03 ppm1 8.074 ppm2 3.249 CV 1
OR { 533}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 20 and name HD2 ))
ASSI { 548}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 29 and name HB3 ))
4.100 2.100 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.53031E-03 ppm1 7.391 ppm2 -0.452 CV 1
OR { 548}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 29 and name HB2 ))
ASSI { 550}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 29 and name HA ))
2.900 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.22769E-02 ppm1 7.414 ppm2 4.348 CV 1
ASSI { 577}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HB3 ))
3.100 1.200 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.36237E-02 ppm1 7.631 ppm2 2.396 CV 1
OR { 577}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 584}
(( segid "A " and resid 60 and name HN ))
( segid "A " and resid 59 and name HD1%)
3.900 1.900 1.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.24411E-03 ppm1 7.520 ppm2 0.974 CV 1
ASSI { 587}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 40 and name HB3 ))
2.700 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.48065E-02 ppm1 7.851 ppm2 2.128 CV 1
OR { 587}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 40 and name HB2 ))
ASSI { 595}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 30 and name HN ))
4.100 2.100 1.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.11406E-02 ppm1 8.983 ppm2 7.414 CV 1
ASSI { 601}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 36 and name HN ))
2.200 0.600 0.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.64984E-02 ppm1 8.656 ppm2 7.434 CV 1
ASSI { 603}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 36 and name HA ))
2.700 0.900 0.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.64310E-02 ppm1 8.658 ppm2 3.963 CV 1
ASSI { 609}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 36 and name HB ))
3.000 1.100 1.100 peak 609 spectrum 1 weight 0.10000E+01 volume 0.58881E-02 ppm1 8.661 ppm2 1.969 CV 1
ASSI { 610}
(( segid "A " and resid 37 and name HN ))
( segid "A " and resid 36 and name HG2%)
2.400 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.99706E-02 ppm1 8.658 ppm2 0.882 CV 1
ASSI { 614}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HD2 ))
2.800 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.43603E-02 ppm1 8.477 ppm2 3.941 CV 1
OR { 614}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HD3 ))
ASSI { 615}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HB2 ))
2.700 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.46002E-02 ppm1 8.474 ppm2 2.423 CV 1
OR { 615}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HB3 ))
ASSI { 620}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 41 and name HA ))
2.900 1.000 1.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.37289E-02 ppm1 8.635 ppm2 4.084 CV 1
ASSI { 622}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HD3 ))
3.700 1.700 1.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.35353E-03 ppm1 8.432 ppm2 3.156 CV 1
OR { 622}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HD2 ))
ASSI { 625}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 46 and name HA2 ))
3.000 1.100 1.100 peak 625 spectrum 1 weight 0.10000E+01 volume 0.33334E-02 ppm1 8.223 ppm2 3.793 CV 1
OR { 625}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 46 and name HA1 ))
ASSI { 627}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 47 and name HN ))
2.600 0.800 0.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.59806E-02 ppm1 7.322 ppm2 8.219 CV 1
ASSI { 631}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 47 and name HA2 ))
3.000 1.100 1.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.50758E-02 ppm1 7.324 ppm2 4.078 CV 1
ASSI { 632}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 47 and name HA1 ))
2.600 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.79883E-02 ppm1 7.323 ppm2 3.937 CV 1
ASSI { 645}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 49 and name HA ))
4.000 2.000 2.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 8.543 ppm2 3.899 CV 1
ASSI { 646}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 50 and name HE1 ))
2.900 1.000 1.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.78872E-02 ppm1 8.248 ppm2 7.325 CV 1
ASSI { 652}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 64 and name HA ))
4.300 2.300 1.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.37880E-03 ppm1 8.284 ppm2 4.407 CV 1
ASSI { 660}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HD2 ))
4.500 2.600 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.20624E-03 ppm1 8.100 ppm2 3.674 CV 1
OR { 660}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HD3 ))
ASSI { 661}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 72 and name HB ))
4.600 2.600 1.400 peak 661 spectrum 1 weight 0.10000E+01 volume 0.54293E-03 ppm1 8.336 ppm2 2.091 CV 1
ASSI { 662}
(( segid "A " and resid 73 and name HN ))
( segid "A " and resid 72 and name HG1%)
4.600 2.700 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.40825E-03 ppm1 8.329 ppm2 0.986 CV 1
OR { 662}
(( segid "A " and resid 73 and name HN ))
( segid "A " and resid 72 and name HG2%)
ASSI { 669}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 15 and name HA ))
3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.35227E-02 ppm1 8.166 ppm2 4.460 CV 1
ASSI { 672}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 55 and name HA ))
3.200 1.300 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.17214E-02 ppm1 8.687 ppm2 4.152 CV 1
ASSI { 681}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 55 and name HB3 ))
2.400 0.700 0.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.81230E-02 ppm1 8.676 ppm2 1.757 CV 1
OR { 681}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 55 and name HB2 ))
ASSI { 683}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 65 and name HA1 ))
4.000 2.000 2.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.59343E-03 ppm1 8.267 ppm2 4.008 CV 1
ASSI { 684}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 66 and name HA2 ))
4.400 2.500 1.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.40405E-03 ppm1 8.254 ppm2 4.090 CV 1
ASSI { 695}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HA ))
3.600 1.600 1.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.90910E-03 ppm1 8.728 ppm2 4.493 CV 1
ASSI { 705}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HG ))
4.300 2.300 1.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.45876E-03 ppm1 8.730 ppm2 1.424 CV 1
ASSI { 706}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HN ))
4.800 2.900 1.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.30303E-03 ppm1 9.134 ppm2 8.973 CV 1
ASSI { 713}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 41 and name HB3 ))
3.600 1.600 1.600 peak 713 spectrum 1 weight 0.10000E+01 volume 0.94698E-03 ppm1 8.635 ppm2 1.623 CV 1
OR { 713}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 41 and name HB2 ))
ASSI { 715}
(( segid "A " and resid 42 and name HN ))
( segid "A " and resid 41 and name HD2%)
3.900 1.900 1.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.72812E-03 ppm1 8.635 ppm2 0.936 CV 1
ASSI { 724}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 48 and name HN ))
3.400 1.500 1.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.46129E-02 ppm1 7.216 ppm2 7.358 CV 1
ASSI { 735}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HE21))
5.300 3.500 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.11363E-03 ppm1 7.629 ppm2 7.228 CV 1
ASSI { 14}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 19 and name HB ))
4.000 2.000 2.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.18225E-02 ppm1 7.880 ppm2 1.887 CV 1
ASSI { 17}
(( segid "A " and resid 18 and name HN ))
( segid "A " and resid 19 and name HG2%)
3.700 1.700 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.26978E-02 ppm1 7.882 ppm2 0.870 CV 1
ASSI { 40}
(( segid "A " and resid 16 and name HN ))
( segid "A " and resid 17 and name HD1%)
5.000 3.100 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.54293E-03 ppm1 8.168 ppm2 0.640 CV 1
ASSI { 98}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 21 and name HN ))
4.500 2.500 1.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.63552E-03 ppm1 8.873 ppm2 8.060 CV 1
ASSI { 121}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 10 and name HB3 ))
4.200 2.200 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15657E-02 ppm1 7.801 ppm2 1.742 CV 1
OR { 121}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 153}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HN ))
2.600 0.800 0.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.52778E-02 ppm1 8.338 ppm2 7.665 CV 1
ASSI { 158}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HG2 ))
4.200 2.300 1.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.88385E-03 ppm1 8.338 ppm2 2.520 CV 1
OR { 158}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HG3 ))
ASSI { 161}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HB3 ))
4.500 2.600 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.89226E-03 ppm1 8.339 ppm2 2.394 CV 1
OR { 161}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HB2 ))
ASSI { 165}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 12 and name HN ))
2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.99959E-02 ppm1 8.341 ppm2 7.935 CV 1
ASSI { 171}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 11 and name HN ))
2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.50674E-02 ppm1 7.948 ppm2 8.342 CV 1
ASSI { 189}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 13 and name HN ))
2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.80178E-02 ppm1 7.926 ppm2 8.353 CV 1
ASSI { 220}
(( segid "A " and resid 44 and name HN ))
( segid "A " and resid 45 and name HD2%)
5.200 3.400 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.44192E-03 ppm1 8.035 ppm2 0.637 CV 1
ASSI { 221}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 46 and name HN ))
2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.54293E-02 ppm1 8.431 ppm2 8.205 CV 1
ASSI { 249}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 44 and name HG2 ))
4.100 2.100 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.12795E-02 ppm1 8.263 ppm2 1.716 CV 1
OR { 249}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 44 and name HG3 ))
ASSI { 263}
(( segid "A " and resid 53 and name HN ))
( segid "A " and resid 54 and name HB% )
3.800 1.800 1.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 8.547 ppm2 1.513 CV 1
ASSI { 284}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 50 and name HN ))
3.200 1.300 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.17634E-02 ppm1 7.212 ppm2 8.549 CV 1
ASSI { 302}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 52 and name HN ))
2.300 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.80009E-02 ppm1 8.248 ppm2 8.647 CV 1
ASSI { 313}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
5.200 3.300 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.39983E-03 ppm1 8.249 ppm2 1.233 CV 1
OR { 313}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 314}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 52 and name HD2%)
4.400 2.400 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 8.249 ppm2 0.866 CV 1
ASSI { 353}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 48 and name HA ))
5.200 3.400 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.40405E-03 ppm1 8.223 ppm2 4.955 CV 1
ASSI { 356}
(( segid "A " and resid 47 and name HN ))
( segid "A " and resid 48 and name HB% )
4.500 2.500 1.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 8.223 ppm2 1.406 CV 1
ASSI { 364}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 42 and name HA ))
5.200 3.300 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.39983E-03 ppm1 7.850 ppm2 3.660 CV 1
ASSI { 400}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 37 and name HB2 ))
4.300 2.300 1.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.13931E-02 ppm1 7.439 ppm2 1.647 CV 1
OR { 400}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 37 and name HB3 ))
ASSI { 402}
(( segid "A " and resid 36 and name HN ))
( segid "A " and resid 37 and name HE% )
5.300 3.500 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.44192E-03 ppm1 7.449 ppm2 1.291 CV 1
ASSI { 405}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 56 and name HN ))
2.600 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.46676E-02 ppm1 7.723 ppm2 8.682 CV 1
ASSI { 446}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 60 and name HA ))
5.300 3.500 0.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.33249E-03 ppm1 7.633 ppm2 4.731 CV 1
ASSI { 483}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 15 and name HN ))
2.300 0.700 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.11174E-01 ppm1 8.834 ppm2 8.659 CV 1
ASSI { 516}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 16 and name HN ))
2.100 0.500 0.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.20901E-01 ppm1 8.667 ppm2 8.184 CV 1
ASSI { 530}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 22 and name HE3 ))
4.200 2.200 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.38300E-03 ppm1 8.074 ppm2 7.110 CV 1
ASSI { 534}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 22 and name HN ))
3.800 1.900 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.16204E-02 ppm1 8.074 ppm2 8.613 CV 1
ASSI { 541}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 25 and name HN ))
5.200 3.400 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.21465E-03 ppm1 8.656 ppm2 9.169 CV 1
ASSI { 545}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 30 and name HN ))
4.800 2.900 1.200 peak 545 spectrum 1 weight 0.10000E+01 volume 0.47139E-03 ppm1 8.720 ppm2 7.389 CV 1
ASSI { 574}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 33 and name HD3 ))
5.100 3.300 0.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.32828E-03 ppm1 9.136 ppm2 3.990 CV 1
ASSI { 611}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 39 and name HA ))
4.400 2.400 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.50084E-03 ppm1 7.334 ppm2 4.341 CV 1
ASSI { 616}
(( segid "A " and resid 40 and name HN ))
( segid "A " and resid 41 and name HD2%)
5.500 3.800 0.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.30724E-03 ppm1 8.474 ppm2 0.957 CV 1
OR { 616}
(( segid "A " and resid 40 and name HN ))
( segid "A " and resid 41 and name HD1%)
ASSI { 618}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 43 and name HN ))
2.600 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.52609E-02 ppm1 8.635 ppm2 8.265 CV 1
ASSI { 621}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 45 and name HA ))
4.400 2.400 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 8.039 ppm2 3.870 CV 1
ASSI { 639}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 49 and name HG2 ))
4.000 2.000 2.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.30051E-02 ppm1 7.326 ppm2 1.610 CV 1
OR { 639}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 49 and name HG3 ))
ASSI { 640}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 50 and name HA ))
5.500 3.800 0.500 peak 640 spectrum 1 weight 0.10000E+01 volume 0.29040E-03 ppm1 7.214 ppm2 4.327 CV 1
ASSI { 644}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 51 and name HA ))
4.800 2.900 1.200 peak 644 spectrum 1 weight 0.10000E+01 volume 0.55135E-03 ppm1 8.544 ppm2 4.147 CV 1
ASSI { 659}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 73 and name HN ))
4.000 2.000 2.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.79967E-03 ppm1 8.094 ppm2 8.342 CV 1
ASSI { 665}
(( segid "A " and resid 8 and name HN ))
( segid "A " and resid 9 and name HB% )
3.200 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.97349E-02 ppm1 8.459 ppm2 1.525 CV 1
ASSI { 673}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 10 and name HN ))
2.300 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.98990E-02 ppm1 7.803 ppm2 7.943 CV 1
ASSI { 675}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HA ))
5.000 3.100 1.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.50084E-03 ppm1 8.337 ppm2 4.338 CV 1
ASSI { 677}
(( segid "A " and resid 44 and name HN ))
( segid "A " and resid 45 and name HD1%)
5.200 3.400 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.32408E-03 ppm1 8.041 ppm2 0.410 CV 1
ASSI { 729}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 55 and name HB2 ))
4.900 3.000 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.57661E-03 ppm1 7.365 ppm2 1.707 CV 1
OR { 729}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 7}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 29 and name HD3 ))
4.100 2.100 1.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.68951E-03 ppm1 10.665 ppm2 2.885 CV 1
OR { 7}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 29 and name HD2 ))
ASSI { 8}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 24 and name HG2 ))
3.800 1.800 1.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.13096E-02 ppm1 10.665 ppm2 2.329 CV 1
OR { 8}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 24 and name HG3 ))
ASSI { 9}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 24 and name HB2 ))
3.400 1.400 1.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.16986E-02 ppm1 10.665 ppm2 1.884 CV 1
OR { 9}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 24 and name HB3 ))
ASSI { 10}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 29 and name HG2 ))
3.800 1.800 1.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.79719E-03 ppm1 10.665 ppm2 1.109 CV 1
OR { 10}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 29 and name HG3 ))
ASSI { 12}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 29 and name HB2 ))
4.400 2.400 1.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.31263E-03 ppm1 10.662 ppm2 0.263 CV 1
OR { 12}
(( segid "A " and resid 22 and name HE1 ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 42}
(( segid "A " and resid 16 and name HN ))
( segid "A " and resid 19 and name HG2%)
4.500 2.600 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.71035E-03 ppm1 8.171 ppm2 0.882 CV 1
ASSI { 52}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 19 and name HB ))
4.600 2.700 1.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.90487E-03 ppm1 8.827 ppm2 1.903 CV 1
ASSI { 55}
(( segid "A " and resid 14 and name HN ))
( segid "A " and resid 19 and name HG2%)
4.200 2.200 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13877E-02 ppm1 8.830 ppm2 0.879 CV 1
ASSI { 56}
(( segid "A " and resid 14 and name HN ))
( segid "A " and resid 17 and name HD1%)
5.100 3.200 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.29699E-03 ppm1 8.828 ppm2 0.636 CV 1
ASSI { 90}
(( segid "A " and resid 20 and name HN ))
( segid "A " and resid 32 and name HB% )
4.200 2.300 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.61482E-03 ppm1 8.875 ppm2 1.505 CV 1
ASSI { 92}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 31 and name HB3 ))
3.900 1.900 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.47935E-03 ppm1 8.876 ppm2 2.280 CV 1
OR { 92}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 31 and name HB2 ))
ASSI { 96}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 32 and name HA ))
3.900 1.900 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.65304E-03 ppm1 8.874 ppm2 5.215 CV 1
ASSI { 100}
(( segid "A " and resid 20 and name HN ))
( segid "A " and resid 30 and name HD% )
5.600 3.900 0.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.10073E-03 ppm1 8.872 ppm2 6.754 CV 1
ASSI { 104}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 29 and name HG2 ))
4.900 3.100 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.34909E-03 ppm1 8.644 ppm2 1.105 CV 1
OR { 104}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 29 and name HG3 ))
ASSI { 132}
(( segid "A " and resid 8 and name HN ))
( segid "A " and resid 11 and name HD1%)
4.600 2.600 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.90314E-03 ppm1 8.464 ppm2 0.881 CV 1
ASSI { 176}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 13 and name HB3 ))
5.200 3.400 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.21363E-03 ppm1 7.947 ppm2 3.315 CV 1
OR { 176}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 13 and name HB2 ))
ASSI { 203}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 33 and name HD3 ))
4.500 2.500 1.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.31088E-03 ppm1 7.845 ppm2 3.996 CV 1
ASSI { 233}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 48 and name HN ))
5.200 3.400 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.33173E-03 ppm1 8.199 ppm2 7.307 CV 1
ASSI { 266}
(( segid "A " and resid 42 and name HN ))
( segid "A " and resid 45 and name HD1%)
5.800 4.200 0.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.15805E-03 ppm1 8.632 ppm2 0.396 CV 1
ASSI { 272}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 55 and name HN ))
4.700 2.800 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.22058E-03 ppm1 8.549 ppm2 7.723 CV 1
ASSI { 293}
(( segid "A " and resid 49 and name HN ))
( segid "A " and resid 52 and name HD1%)
3.800 1.800 1.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10438E-02 ppm1 7.213 ppm2 0.843 CV 1
ASSI { 301}
(( segid "A " and resid 50 and name HN ))
( segid "A " and resid 52 and name HD1%)
4.700 2.700 1.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.46025E-03 ppm1 8.548 ppm2 0.835 CV 1
ASSI { 380}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 41 and name HA ))
5.000 3.100 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.44114E-03 ppm1 7.336 ppm2 4.101 CV 1
ASSI { 387}
(( segid "A " and resid 38 and name HN ))
( segid "A " and resid 41 and name HD2%)
3.400 1.500 1.500 peak 387 spectrum 1 weight 0.10000E+01 volume 0.17976E-02 ppm1 7.336 ppm2 0.933 CV 1
ASSI { 390}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 41 and name HN ))
4.100 2.100 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.58704E-03 ppm1 7.335 ppm2 7.852 CV 1
ASSI { 391}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 54 and name HN ))
3.900 1.900 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.88577E-03 ppm1 8.658 ppm2 7.337 CV 1
ASSI { 406}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 57 and name HN ))
4.300 2.300 1.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.45330E-03 ppm1 7.722 ppm2 8.338 CV 1
ASSI { 427}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 30 and name HA ))
4.600 2.700 1.400 peak 427 spectrum 1 weight 0.10000E+01 volume 0.38383E-03 ppm1 8.608 ppm2 5.856 CV 1
ASSI { 428}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 28 and name HA ))
5.300 3.500 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.20842E-03 ppm1 8.607 ppm2 4.504 CV 1
ASSI { 431}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 29 and name HB2 ))
5.100 3.200 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.10594E-03 ppm1 8.608 ppm2 -0.453 CV 1
OR { 431}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 29 and name HB3 ))
ASSI { 438}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 56 and name HB2 ))
3.500 3.500 2.500 peak 438 spectrum 1 weight 0.10000E+01 volume 0.24368E-02 ppm1 8.550 ppm2 1.555 CV 1
OR { 438}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 490}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 55 and name HB2 ))
3.100 3.100 2.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.40971E-02 ppm1 8.660 ppm2 1.822 CV 1
OR { 490}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 55 and name HB3 ))
ASSI { 499}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 29 and name HD3 ))
5.000 3.100 1.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.13199E-03 ppm1 8.642 ppm2 2.876 CV 1
OR { 499}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 29 and name HD2 ))
ASSI { 512}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 15 and name HN ))
3.600 1.600 1.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12314E-02 ppm1 7.922 ppm2 8.658 CV 1
ASSI { 514}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 15 and name HN ))
4.000 2.000 2.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.79025E-03 ppm1 8.367 ppm2 8.649 CV 1
ASSI { 519}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 58 and name HE22))
5.200 3.300 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.11289E-03 ppm1 7.891 ppm2 6.762 CV 1
ASSI { 522}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 58 and name HE21))
4.500 2.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.44636E-03 ppm1 7.849 ppm2 7.184 CV 1
ASSI { 523}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 32 and name HA ))
6.000 5.000 0.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.71209E-04 ppm1 7.854 ppm2 5.240 CV 1
ASSI { 524}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 33 and name HD2 ))
5.000 3.200 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.17195E-03 ppm1 7.844 ppm2 3.261 CV 1
ASSI { 526}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 30 and name HA ))
5.800 4.200 0.200 peak 526 spectrum 1 weight 0.10000E+01 volume 0.13894E-03 ppm1 8.876 ppm2 5.867 CV 1
ASSI { 527}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 31 and name HG2 ))
5.400 3.700 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12678E-03 ppm1 8.869 ppm2 2.529 CV 1
OR { 527}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 31 and name HG3 ))
ASSI { 537}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.12331E-03 ppm1 8.599 ppm2 2.817 CV 1
OR { 537}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 30 and name HB3 ))
ASSI { 539}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 28 and name HA ))
5.100 3.300 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.28657E-03 ppm1 8.544 ppm2 4.547 CV 1
ASSI { 542}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 28 and name HA ))
3.000 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.30464E-02 ppm1 8.646 ppm2 4.513 CV 1
ASSI { 543}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 26 and name HA ))
4.800 2.900 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.23273E-03 ppm1 8.640 ppm2 4.263 CV 1
ASSI { 591}
(( segid "A " and resid 23 and name HN ))
( segid "A " and resid 56 and name HD2%)
3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.23186E-02 ppm1 8.552 ppm2 0.749 CV 1
ASSI { 637}
(( segid "A " and resid 48 and name HN ))
( segid "A " and resid 52 and name HD1%)
3.700 1.700 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.11810E-02 ppm1 7.323 ppm2 0.852 CV 1
ASSI { 664}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 10 and name HN ))
5.100 3.200 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.22926E-03 ppm1 8.466 ppm2 7.936 CV 1
ASSI { 666}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 11 and name HN ))
4.500 2.600 1.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.40641E-03 ppm1 7.804 ppm2 8.343 CV 1
ASSI { 682}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 55 and name HN ))
4.700 2.700 1.300 peak 682 spectrum 1 weight 0.10000E+01 volume 0.26052E-03 ppm1 8.667 ppm2 7.717 CV 1
ASSI { 698}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 17 and name HG ))
4.600 2.700 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.31436E-03 ppm1 8.831 ppm2 1.549 CV 1
ASSI { 701}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 31 and name HA ))
6.000 4.600 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.67735E-04 ppm1 8.881 ppm2 4.731 CV 1
ASSI { 702}
(( segid "A " and resid 22 and name HN ))
(( segid "A " and resid 30 and name HN ))
6.000 6.000 0.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.24315E-04 ppm1 8.603 ppm2 7.429 CV 1
ASSI { 716}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 45 and name HN ))
4.900 3.000 1.100 peak 716 spectrum 1 weight 0.10000E+01 volume 0.24836E-03 ppm1 8.266 ppm2 8.421 CV 1
ASSI { 721}
(( segid "A " and resid 46 and name HN ))
( segid "A " and resid 48 and name HB% )
6.000 5.900 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.62525E-04 ppm1 8.203 ppm2 1.431 CV 1
ASSI { 727}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 53 and name HB ))
5.000 3.200 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.21537E-03 ppm1 8.246 ppm2 1.856 CV 1
ASSI { 728}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 56 and name HN ))
4.900 3.000 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.20668E-03 ppm1 7.366 ppm2 8.666 CV 1
ASSI { 733}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 60 and name HN ))
4.400 2.400 1.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.57140E-03 ppm1 7.664 ppm2 7.529 CV 1
ASSI { 22}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 16 and name HN ))
4.500 2.600 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.43593E-03 ppm1 7.881 ppm2 8.157 CV 1
ASSI { 25}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 14 and name HA ))
3.600 1.600 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.86840E-03 ppm1 7.332 ppm2 3.750 CV 1
ASSI { 34}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 14 and name HN ))
4.800 2.900 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.26920E-03 ppm1 8.170 ppm2 8.820 CV 1
ASSI { 36}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 13 and name HA ))
2.900 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.35518E-02 ppm1 8.170 ppm2 4.431 CV 1
ASSI { 39}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 14 and name HA ))
4.600 2.600 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.32304E-03 ppm1 8.169 ppm2 3.756 CV 1
ASSI { 45}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 12 and name HN ))
4.500 2.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.37167E-03 ppm1 8.828 ppm2 7.924 CV 1
ASSI { 48}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 10 and name HA ))
3.700 1.700 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.76072E-03 ppm1 8.830 ppm2 4.185 CV 1
ASSI { 49}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 11 and name HA ))
3.700 1.700 1.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.78330E-03 ppm1 8.829 ppm2 3.890 CV 1
ASSI { 63}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 21 and name HA ))
3.800 1.800 1.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.62525E-03 ppm1 8.982 ppm2 5.603 CV 1
ASSI { 65}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 19 and name HA ))
5.000 3.100 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.23447E-03 ppm1 8.979 ppm2 4.260 CV 1
ASSI { 70}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 21 and name HG ))
4.000 2.000 2.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.42552E-03 ppm1 8.980 ppm2 1.704 CV 1
ASSI { 71}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 21 and name HB3 ))
3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.36646E-03 ppm1 8.985 ppm2 1.513 CV 1
OR { 71}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 21 and name HB2 ))
ASSI { 72}
(( segid "A " and resid 31 and name HN ))
( segid "A " and resid 21 and name HD1%)
3.500 1.600 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.14051E-02 ppm1 8.982 ppm2 0.869 CV 1
ASSI { 74}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 22 and name HE3 ))
4.700 2.800 1.300 peak 74 spectrum 1 weight 0.10000E+01 volume 0.34909E-03 ppm1 8.980 ppm2 7.109 CV 1
ASSI { 83}
(( segid "A " and resid 32 and name HN ))
( segid "A " and resid 30 and name HD% )
5.100 3.200 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.15631E-03 ppm1 9.135 ppm2 6.754 CV 1
ASSI { 89}
(( segid "A " and resid 32 and name HN ))
( segid "A " and resid 19 and name HG2%)
5.700 4.000 0.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.18932E-03 ppm1 9.131 ppm2 0.880 CV 1
ASSI { 117}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 6 and name HA ))
4.200 2.200 1.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.44114E-03 ppm1 7.800 ppm2 4.494 CV 1
ASSI { 149}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 56 and name HB3 ))
3.300 3.300 2.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.64088E-03 ppm1 7.666 ppm2 1.552 CV 1
OR { 149}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 56 and name HB2 ))
ASSI { 150}
(( segid "A " and resid 58 and name HN ))
( segid "A " and resid 56 and name HD1%)
3.900 1.900 1.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 7.665 ppm2 0.953 CV 1
ASSI { 151}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 56 and name HN ))
4.900 3.000 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.21883E-03 ppm1 7.661 ppm2 8.683 CV 1
ASSI { 155}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 53 and name HA ))
4.300 2.300 1.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.32825E-03 ppm1 8.336 ppm2 3.515 CV 1
ASSI { 167}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 8 and name HA1 ))
3.700 1.700 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.71382E-03 ppm1 8.341 ppm2 3.561 CV 1
ASSI { 172}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 6 and name HA ))
3.900 1.900 1.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.24663E-03 ppm1 7.949 ppm2 4.499 CV 1
ASSI { 174}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 8 and name HA2 ))
4.000 2.000 2.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 7.946 ppm2 3.832 CV 1
ASSI { 175}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 8 and name HA1 ))
4.800 2.900 1.200 peak 175 spectrum 1 weight 0.10000E+01 volume 0.26747E-03 ppm1 7.949 ppm2 3.569 CV 1
ASSI { 187}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 8 and name HA1 ))
4.100 2.100 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.40120E-03 ppm1 7.926 ppm2 3.567 CV 1
ASSI { 195}
(( segid "A " and resid 72 and name HN ))
( segid "A " and resid 70 and name HB% )
5.100 3.200 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.18757E-03 ppm1 8.097 ppm2 1.404 CV 1
ASSI { 198}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 15 and name HN ))
4.000 2.000 2.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.21015E-03 ppm1 7.841 ppm2 8.660 CV 1
ASSI { 199}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 16 and name HN ))
3.800 1.800 1.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.28310E-03 ppm1 7.843 ppm2 8.194 CV 1
ASSI { 200}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 17 and name HN ))
4.200 2.200 1.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.83019E-03 ppm1 7.845 ppm2 7.326 CV 1
ASSI { 201}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 15 and name HA ))
3.500 1.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.11220E-02 ppm1 7.847 ppm2 4.485 CV 1
ASSI { 206}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 17 and name HB2 ))
3.300 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.14554E-02 ppm1 7.847 ppm2 1.617 CV 1
OR { 206}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 17 and name HB3 ))
ASSI { 208}
(( segid "A " and resid 19 and name HN ))
( segid "A " and resid 17 and name HD1%)
5.400 3.700 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.26747E-03 ppm1 7.843 ppm2 0.647 CV 1
ASSI { 209}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 42 and name HN ))
4.500 2.500 1.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.35778E-03 ppm1 8.036 ppm2 8.620 CV 1
ASSI { 214}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 42 and name HA ))
4.500 2.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.31783E-03 ppm1 8.036 ppm2 3.652 CV 1
ASSI { 216}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 42 and name HG3 ))
4.600 2.600 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.31436E-03 ppm1 8.041 ppm2 2.279 CV 1
ASSI { 223}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 43 and name HA ))
4.800 2.900 1.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.21189E-03 ppm1 8.431 ppm2 4.276 CV 1
ASSI { 226}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 42 and name HA ))
3.800 1.800 1.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.65999E-03 ppm1 8.432 ppm2 3.656 CV 1
ASSI { 234}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 43 and name HA ))
3.500 1.500 1.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.10751E-02 ppm1 8.196 ppm2 4.308 CV 1
ASSI { 237}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 44 and name HG2 ))
3.300 3.300 2.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.69993E-03 ppm1 8.197 ppm2 1.956 CV 1
OR { 237}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 44 and name HG3 ))
ASSI { 245}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 41 and name HN ))
4.400 2.400 1.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.49847E-03 ppm1 8.263 ppm2 7.861 CV 1
ASSI { 252}
(( segid "A " and resid 43 and name HN ))
( segid "A " and resid 41 and name HD2%)
4.600 2.600 1.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.46025E-03 ppm1 8.265 ppm2 0.929 CV 1
ASSI { 256}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 38 and name HA ))
3.300 3.300 2.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.60441E-03 ppm1 8.638 ppm2 4.730 CV 1
ASSI { 257}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 39 and name HA ))
3.600 1.600 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.10265E-02 ppm1 8.635 ppm2 4.299 CV 1
ASSI { 267}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 50 and name HA ))
3.900 1.900 1.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.56794E-03 ppm1 8.548 ppm2 4.328 CV 1
ASSI { 269}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 49 and name HA ))
4.200 2.200 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.41163E-03 ppm1 8.546 ppm2 3.901 CV 1
ASSI { 273}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 51 and name HN ))
3.900 1.900 1.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.79893E-03 ppm1 8.547 ppm2 8.259 CV 1
ASSI { 275}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 51 and name HN ))
3.700 1.700 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.33173E-03 ppm1 7.365 ppm2 8.272 CV 1
ASSI { 277}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 50 and name HA ))
4.400 2.500 1.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.40120E-03 ppm1 7.364 ppm2 4.327 CV 1
ASSI { 280}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 50 and name HB2 ))
3.900 1.900 1.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.24315E-03 ppm1 7.362 ppm2 3.201 CV 1
OR { 280}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 50 and name HB3 ))
ASSI { 283}
(( segid "A " and resid 54 and name HN ))
( segid "A " and resid 52 and name HD2%)
3.700 3.700 2.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.25687E-02 ppm1 7.363 ppm2 0.877 CV 1
ASSI { 304}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 49 and name HN ))
4.600 2.600 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.31088E-03 ppm1 8.246 ppm2 7.222 CV 1
ASSI { 305}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 48 and name HA ))
5.100 3.200 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.31610E-03 ppm1 8.246 ppm2 4.949 CV 1
ASSI { 312}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 48 and name HB% )
3.600 1.700 1.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.81976E-03 ppm1 8.247 ppm2 1.412 CV 1
ASSI { 316}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 15 and name HA ))
5.400 3.700 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16326E-03 ppm1 7.182 ppm2 4.480 CV 1
ASSI { 318}
(( segid "A " and resid 58 and name HE22))
(( segid "A " and resid 15 and name HA ))
4.500 2.600 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.19973E-03 ppm1 6.761 ppm2 4.481 CV 1
ASSI { 322}
(( segid "A " and resid 58 and name HE22))
(( segid "A " and resid 19 and name HN ))
4.700 2.700 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.16152E-03 ppm1 6.762 ppm2 7.863 CV 1
ASSI { 329}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 56 and name HB2 ))
3.800 3.800 2.200 peak 329 spectrum 1 weight 0.10000E+01 volume 0.29005E-03 ppm1 7.183 ppm2 1.916 CV 1
OR { 329}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 331}
(( segid "A " and resid 58 and name HE21))
( segid "A " and resid 15 and name HB% )
5.200 3.400 0.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.19973E-03 ppm1 7.176 ppm2 1.553 CV 1
ASSI { 332}
(( segid "A " and resid 58 and name HE22))
( segid "A " and resid 15 and name HB% )
5.200 3.300 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.16152E-03 ppm1 6.764 ppm2 1.552 CV 1
ASSI { 342}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 24 and name HN ))
3.300 1.400 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.12436E-02 ppm1 7.985 ppm2 8.648 CV 1
ASSI { 345}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 25 and name HA1 ))
5.400 3.700 0.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.76940E-03 ppm1 7.987 ppm2 4.021 CV 1
ASSI { 346}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 25 and name HA2 ))
5.100 3.300 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.42899E-03 ppm1 7.987 ppm2 3.745 CV 1
ASSI { 351}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 43 and name HA ))
3.100 3.100 2.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 8.222 ppm2 4.274 CV 1
ASSI { 355}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 45 and name HB3 ))
4.200 2.200 1.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.31610E-03 ppm1 8.214 ppm2 1.746 CV 1
OR { 355}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 45 and name HB2 ))
ASSI { 362}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 39 and name HA ))
4.600 2.600 1.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.30047E-03 ppm1 7.850 ppm2 4.275 CV 1
ASSI { 370}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 38 and name HN ))
5.100 3.300 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.19800E-03 ppm1 8.479 ppm2 7.324 CV 1
ASSI { 378}
(( segid "A " and resid 40 and name HN ))
( segid "A " and resid 38 and name HG2%)
3.600 1.600 1.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.36646E-03 ppm1 8.479 ppm2 1.381 CV 1
ASSI { 381}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 36 and name HA ))
3.700 1.800 1.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.67215E-03 ppm1 7.337 ppm2 3.945 CV 1
ASSI { 384}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 36 and name HB ))
3.400 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.20755E-02 ppm1 7.336 ppm2 1.995 CV 1
ASSI { 394}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 34 and name HA ))
4.400 2.400 1.600 peak 394 spectrum 1 weight 0.10000E+01 volume 0.52798E-03 ppm1 7.441 ppm2 4.385 CV 1
ASSI { 398}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 33 and name HD2 ))
6.000 5.100 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29352E-03 ppm1 7.438 ppm2 3.261 CV 1
ASSI { 401}
(( segid "A " and resid 36 and name HN ))
( segid "A " and resid 32 and name HB% )
4.400 2.400 1.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11793E-02 ppm1 7.439 ppm2 1.506 CV 1
ASSI { 408}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 53 and name HA ))
4.800 2.900 1.200 peak 408 spectrum 1 weight 0.10000E+01 volume 0.22926E-03 ppm1 7.725 ppm2 3.520 CV 1
ASSI { 411}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 52 and name HB3 ))
5.200 3.400 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.14068E-03 ppm1 7.722 ppm2 1.226 CV 1
ASSI { 416}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 53 and name HA ))
3.900 1.900 1.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.57315E-03 ppm1 8.685 ppm2 3.515 CV 1
ASSI { 440}
(( segid "A " and resid 59 and name HN ))
( segid "A " and resid 56 and name HD1%)
3.300 1.300 1.300 peak 440 spectrum 1 weight 0.10000E+01 volume 0.17716E-02 ppm1 7.631 ppm2 0.969 CV 1
ASSI { 442}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 57 and name HB3 ))
2.300 2.300 3.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.54431E-02 ppm1 7.631 ppm2 1.934 CV 1
OR { 442}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 57 and name HB2 ))
ASSI { 443}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 56 and name HB2 ))
3.500 1.500 1.500 peak 443 spectrum 1 weight 0.10000E+01 volume 0.45330E-03 ppm1 7.629 ppm2 1.569 CV 1
OR { 443}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 447}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 20 and name HA ))
3.200 3.200 2.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.78156E-03 ppm1 7.633 ppm2 5.055 CV 1
ASSI { 448}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 57 and name HN ))
5.000 3.200 1.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.17541E-03 ppm1 7.633 ppm2 8.345 CV 1
ASSI { 476}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 27 and name HB3 ))
4.300 2.300 1.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.39772E-03 ppm1 8.727 ppm2 1.891 CV 1
ASSI { 486}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 11 and name HA ))
3.300 1.400 1.400 peak 486 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 8.661 ppm2 3.904 CV 1
ASSI { 487}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 50 and name HB2 ))
4.800 2.900 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.45157E-03 ppm1 8.661 ppm2 3.227 CV 1
OR { 487}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 50 and name HB3 ))
ASSI { 500}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 22 and name HD1 ))
5.500 3.800 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.10248E-03 ppm1 8.642 ppm2 6.992 CV 1
ASSI { 503}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 22 and name HH2 ))
3.600 1.600 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.23308E-02 ppm1 8.985 ppm2 6.914 CV 1
ASSI { 505}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 14 and name HN ))
5.600 3.900 0.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.92051E-04 ppm1 7.331 ppm2 8.826 CV 1
ASSI { 506}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 15 and name HN ))
5.000 3.200 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.20842E-03 ppm1 7.331 ppm2 8.664 CV 1
ASSI { 508}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 7 and name HA ))
3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 7.800 ppm2 4.062 CV 1
ASSI { 517}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 13 and name HB2 ))
5.800 4.200 0.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.14242E-03 ppm1 8.174 ppm2 3.323 CV 1
ASSI { 518}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 15 and name HN ))
5.400 3.700 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.13721E-03 ppm1 7.878 ppm2 8.663 CV 1
ASSI { 520}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 15 and name HA ))
3.700 1.800 1.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.65824E-03 ppm1 7.881 ppm2 4.460 CV 1
ASSI { 554}
(( segid "A " and resid 60 and name HE21))
(( segid "A " and resid 57 and name HA ))
4.600 2.600 1.400 peak 554 spectrum 1 weight 0.10000E+01 volume 0.17541E-03 ppm1 7.581 ppm2 4.105 CV 1
ASSI { 555}
(( segid "A " and resid 60 and name HE22))
(( segid "A " and resid 57 and name HA ))
4.400 2.400 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.11810E-03 ppm1 6.982 ppm2 4.096 CV 1
ASSI { 565}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 18 and name HN ))
5.800 4.300 0.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.11289E-03 ppm1 7.183 ppm2 7.890 CV 1
ASSI { 566}
(( segid "A " and resid 58 and name HE21))
(( segid "A " and resid 18 and name HA2 ))
4.200 2.200 1.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14242E-03 ppm1 7.183 ppm2 3.717 CV 1
ASSI { 567}
(( segid "A " and resid 58 and name HE22))
(( segid "A " and resid 18 and name HA2 ))
4.200 2.200 1.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.14763E-03 ppm1 6.765 ppm2 3.729 CV 1
ASSI { 568}
(( segid "A " and resid 58 and name HE21))
( segid "A " and resid 19 and name HG2%)
4.100 2.100 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.17716E-03 ppm1 7.190 ppm2 0.879 CV 1
ASSI { 569}
(( segid "A " and resid 58 and name HE22))
( segid "A " and resid 19 and name HG2%)
4.300 2.400 1.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.12331E-03 ppm1 6.772 ppm2 0.890 CV 1
ASSI { 575}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 54 and name HN ))
5.300 3.500 0.700 peak 575 spectrum 1 weight 0.10000E+01 volume 0.14242E-03 ppm1 8.337 ppm2 7.368 CV 1
ASSI { 576}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 20 and name HB3 ))
2.600 2.600 3.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.29821E-02 ppm1 7.635 ppm2 2.023 CV 1
ASSI { 589}
(( segid "A " and resid 19 and name HN ))
( segid "A " and resid 14 and name HB% )
3.500 1.600 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.17507E-02 ppm1 7.849 ppm2 1.432 CV 1
ASSI { 597}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 20 and name HB2 ))
3.600 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.12939E-02 ppm1 8.979 ppm2 2.119 CV 1
OR { 597}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 20 and name HB3 ))
ASSI { 598}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 34 and name HG2 ))
2.500 2.500 3.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.34232E-02 ppm1 7.442 ppm2 2.204 CV 1
OR { 598}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 34 and name HG3 ))
ASSI { 604}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 35 and name HA1 ))
4.800 2.800 1.200 peak 604 spectrum 1 weight 0.10000E+01 volume 0.35952E-03 ppm1 8.658 ppm2 3.793 CV 1
ASSI { 605}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 35 and name HA2 ))
5.400 3.600 0.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.36994E-03 ppm1 8.661 ppm2 4.242 CV 1
ASSI { 606}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 33 and name HD2 ))
3.900 1.900 1.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.24836E-03 ppm1 8.655 ppm2 3.246 CV 1
ASSI { 617}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 38 and name HG2%)
3.100 3.100 2.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 7.849 ppm2 1.373 CV 1
ASSI { 619}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 38 and name HN ))
3.200 3.200 2.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.73988E-03 ppm1 8.628 ppm2 7.314 CV 1
ASSI { 635}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 45 and name HB3 ))
3.900 1.900 1.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.69993E-03 ppm1 7.323 ppm2 1.758 CV 1
ASSI { 643}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 48 and name HA ))
5.300 3.500 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.35257E-03 ppm1 8.538 ppm2 4.965 CV 1
ASSI { 648}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 50 and name HB3 ))
5.400 3.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.21710E-03 ppm1 8.552 ppm2 3.223 CV 1
OR { 648}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 50 and name HB2 ))
ASSI { 649}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 7 and name HA ))
3.300 1.300 1.300 peak 649 spectrum 1 weight 0.10000E+01 volume 0.17698E-02 ppm1 7.955 ppm2 4.075 CV 1
ASSI { 668}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 23 and name HA ))
3.500 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.12383E-02 ppm1 8.732 ppm2 4.727 CV 1
ASSI { 671}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 10 and name HA ))
3.600 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 7.926 ppm2 4.186 CV 1
ASSI { 674}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 38 and name HA ))
3.500 1.500 1.500 peak 674 spectrum 1 weight 0.10000E+01 volume 0.13686E-02 ppm1 7.852 ppm2 4.736 CV 1
ASSI { 678}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 17 and name HG ))
2.800 2.800 3.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.16778E-02 ppm1 7.850 ppm2 1.531 CV 1
ASSI { 697}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 8 and name HA2 ))
5.500 3.700 0.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.17020E-03 ppm1 7.931 ppm2 3.807 CV 1
ASSI { 699}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 50 and name HE1 ))
4.600 2.600 1.400 peak 699 spectrum 1 weight 0.10000E+01 volume 0.90314E-04 ppm1 8.654 ppm2 7.236 CV 1
ASSI { 700}
(( segid "A " and resid 15 and name HN ))
( segid "A " and resid 11 and name HD2%)
5.100 3.300 0.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12853E-03 ppm1 8.663 ppm2 0.660 CV 1
ASSI { 704}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 22 and name HE1 ))
6.000 6.000 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.31263E-04 ppm1 8.650 ppm2 10.653 CV 1
ASSI { 707}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 34 and name HB2 ))
4.700 2.800 1.300 peak 707 spectrum 1 weight 0.10000E+01 volume 0.74683E-04 ppm1 7.443 ppm2 2.356 CV 1
OR { 707}
(( segid "A " and resid 36 and name HN ))
(( segid "A " and resid 34 and name HB3 ))
ASSI { 709}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 39 and name HD2 ))
5.200 3.400 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.12853E-03 ppm1 7.853 ppm2 3.941 CV 1
ASSI { 710}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 39 and name HD2 ))
4.600 2.700 1.400 peak 710 spectrum 1 weight 0.10000E+01 volume 0.86840E-04 ppm1 8.635 ppm2 3.917 CV 1
OR { 710}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 39 and name HD3 ))
ASSI { 711}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 37 and name HG3 ))
5.600 3.900 0.400 peak 711 spectrum 1 weight 0.10000E+01 volume 0.72946E-04 ppm1 8.637 ppm2 2.491 CV 1
ASSI { 712}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 39 and name HB3 ))
3.800 1.800 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.69993E-03 ppm1 8.636 ppm2 1.967 CV 1
OR { 712}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 39 and name HB2 ))
ASSI { 714}
(( segid "A " and resid 42 and name HN ))
( segid "A " and resid 37 and name HE% )
6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.97263E-04 ppm1 8.636 ppm2 1.282 CV 1
ASSI { 717}
(( segid "A " and resid 44 and name HN ))
( segid "A " and resid 41 and name HD1%)
3.800 1.800 1.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.25705E-03 ppm1 8.040 ppm2 0.963 CV 1
ASSI { 718}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 42 and name HN ))
4.800 2.900 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.20321E-03 ppm1 8.433 ppm2 8.638 CV 1
ASSI { 726}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 49 and name HA ))
5.000 3.200 1.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.17889E-03 ppm1 8.228 ppm2 3.872 CV 1
ASSI { 731}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 51 and name HG3 ))
5.800 4.300 0.200 peak 731 spectrum 1 weight 0.10000E+01 volume 0.43420E-04 ppm1 7.719 ppm2 2.377 CV 1
ASSI { 734}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 56 and name HN ))
5.200 3.300 0.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.43420E-04 ppm1 7.615 ppm2 8.654 CV 1
ASSI { 736}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 57 and name HA ))
4.800 2.900 1.200 peak 736 spectrum 1 weight 0.10000E+01 volume 0.18410E-03 ppm1 7.629 ppm2 4.119 CV 1
ASSI { 737}
(( segid "A " and resid 59 and name HN ))
( segid "A " and resid 56 and name HD2%)
5.500 3.800 0.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.29526E-04 ppm1 7.631 ppm2 0.745 CV 1
ASSI { 50}
( segid "A " and resid 30 and name HE% )
( segid "B " and resid 30 and name HD% )
5.000 3.100 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.53073E-05 ppm1 7.233 ppm2 6.754 CV 1
ASSI { 51}
( segid "A " and resid 30 and name HD% )
( segid "B " and resid 30 and name HE% )
4.900 3.000 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.48424E-05 ppm1 6.760 ppm2 7.234 CV 1
ASSI { 55}
( segid "A " and resid 30 and name HD% )
( segid "B " and resid 21 and name HD1%)
5.100 3.200 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.61518E-05 ppm1 6.753 ppm2 0.867 CV 1
ASSI { 77}
(( segid "A " and resid 21 and name HG ))
(( segid "B " and resid 30 and name HB2 ))
5.700 4.100 0.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.34013E-05 ppm1 1.698 ppm2 2.779 CV 1
OR { 77}
(( segid "A " and resid 21 and name HG ))
(( segid "B " and resid 30 and name HB3 ))
ASSI { 78}
( segid "A " and resid 21 and name HD1%)
(( segid "B " and resid 30 and name HB3 ))
5.700 4.000 0.300 peak 78 spectrum 1 weight 0.10000E+01 volume 0.45170E-05 ppm1 0.876 ppm2 2.779 CV 1
OR { 78}
( segid "A " and resid 21 and name HD1%)
(( segid "B " and resid 30 and name HB2 ))
ASSI { 79}
( segid "A " and resid 30 and name HE% )
( segid "B " and resid 21 and name HD2%)
5.300 3.500 0.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.28977E-05 ppm1 7.252 ppm2 0.871 CV 1
ASSI { 80}
( segid "A " and resid 30 and name HD% )
(( segid "B " and resid 29 and name HA ))
5.200 3.400 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.28977E-05 ppm1 7.252 ppm2 0.871 CV 1
ASSI { 101}
( segid "A " and resid 28 and name HD1%)
(( segid "B " and resid 27 and name HG3 ))
3.700 1.700 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12985E-04 ppm1 0.825 ppm2 1.610 CV 1
OR { 101}
( segid "A " and resid 28 and name HD1%)
(( segid "B " and resid 27 and name HG2 ))
ASSI { 103}
(( segid "A " and resid 27 and name HD2 ))
( segid "B " and resid 52 and name HD1%)
3.900 1.900 1.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.82826E-05 ppm1 3.196 ppm2 0.903 CV 1
OR { 103}
(( segid "A " and resid 27 and name HD3 ))
( segid "B " and resid 52 and name HD1%)
ASSI { 105}
(( segid "A " and resid 27 and name HB2 ))
( segid "B " and resid 52 and name HD1%)
4.800 2.900 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.37965E-05 ppm1 1.742 ppm2 0.862 CV 1
ASSI { 106}
(( segid "A " and resid 27 and name HD2 ))
(( segid "B " and resid 49 and name HB3 ))
4.100 2.100 1.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.72908E-05 ppm1 3.188 ppm2 1.949 CV 1
OR { 106}
(( segid "A " and resid 27 and name HD3 ))
(( segid "B " and resid 49 and name HB3 ))
OR { 106}
(( segid "A " and resid 27 and name HD2 ))
(( segid "B " and resid 49 and name HB2 ))
ASSI { 107}
(( segid "A " and resid 27 and name HG2 ))
( segid "B " and resid 52 and name HD1%)
3.800 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.90031E-05 ppm1 1.613 ppm2 0.870 CV 1
OR { 107}
(( segid "A " and resid 27 and name HG3 ))
( segid "B " and resid 52 and name HD1%)
ASSI { 109}
(( segid "A " and resid 49 and name HB3 ))
(( segid "B " and resid 27 and name HD2 ))
3.800 1.800 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.60822E-05 ppm1 1.968 ppm2 3.168 CV 1
OR { 109}
(( segid "A " and resid 49 and name HB2 ))
(( segid "B " and resid 27 and name HD2 ))
OR { 109}
(( segid "A " and resid 49 and name HB3 ))
(( segid "B " and resid 27 and name HD3 ))
ASSI { 110}
(( segid "A " and resid 49 and name HD2 ))
(( segid "B " and resid 27 and name HG2 ))
4.500 2.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.46411E-05 ppm1 3.332 ppm2 1.624 CV 1
OR { 110}
(( segid "A " and resid 49 and name HD3 ))
(( segid "B " and resid 27 and name HG2 ))
OR { 110}
(( segid "A " and resid 49 and name HD3 ))
(( segid "B " and resid 27 and name HG3 ))
ASSI { 111}
( segid "A " and resid 52 and name HD1%)
(( segid "B " and resid 27 and name HG2 ))
3.300 1.300 1.300 peak 111 spectrum 1 weight 0.10000E+01 volume 0.22252E-04 ppm1 0.870 ppm2 1.587 CV 1
OR { 111}
( segid "A " and resid 52 and name HD1%)
(( segid "B " and resid 27 and name HG3 ))
ASSI { 111}
( segid "A " and resid 52 and name HD1%)
(( segid "B " and resid 27 and name HD2 ))
3.900 1.900 1.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.83212E-05 ppm1 0.876 ppm2 3.182 CV 1
OR { 111}
( segid "A " and resid 52 and name HD1%)
(( segid "B " and resid 27 and name HD3 ))
Contact the webmaster for help, if required. Thursday, May 23, 2024 12:47:22 PM GMT (wattos1)