NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
6965 |
1ju5   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 727}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 342 and name HG2 ))
3.700 1.900 1.900 peak 727 weight 0.10000E+01 volume 0.10693E-02 ppm1 8.990 ppm2 -0.480 CV 1
ASSI { 981}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 342 and name HA ))
2.000 1.000 1.000 peak 981 weight 0.10000E+01 volume 0.93191E-02 ppm1 8.990 ppm2 3.430 CV 1
ASSI { 497}
(( segid "SH3 " and resid 343 and name HN ))
( segid "SH3 " and resid 343 and name HB% )
2.200 1.100 1.100 peak 497 weight 0.10000E+01 volume 0.64350E-02 ppm1 8.990 ppm2 1.080 CV 1
ASSI { 507}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 350 and name HN ))
2.700 1.400 1.400 peak 507 weight 0.10000E+01 volume 0.25604E-02 ppm1 8.990 ppm2 8.710 CV 1
ASSI { 498}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 342 and name HB1 ))
3.600 1.600 1.600 peak 498 weight 0.10000E+01 volume 0.19129E-02 ppm1 8.990 ppm2 1.290 CV 1
ASSI { 501}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 343 and name HA ))
2.600 1.400 1.400 peak 501 weight 0.10000E+01 volume 0.26585E-02 ppm1 8.990 ppm2 5.200 CV 1
ASSI { 504}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 349 and name HB2 ))
4.200 2.300 1.800 peak 504 weight 0.10000E+01 volume 0.57682E-03 ppm1 8.980 ppm2 2.120 CV 1
OR { 504}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 349 and name HB1 ))
ASSI { 502}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 351 and name HA ))
3.300 1.600 1.600 peak 502 weight 0.10000E+01 volume 0.17854E-02 ppm1 8.990 ppm2 5.440 CV 1
ASSI { 495}
(( segid "SH3 " and resid 343 and name HN ))
( segid "SH3 " and resid 352 and name HG2%)
3.000 1.700 1.700 peak 495 weight 0.10000E+01 volume 0.14323E-02 ppm1 8.990 ppm2 0.570 CV 1
ASSI { 503}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 349 and name HA ))
4.100 2.300 1.900 peak 503 weight 0.10000E+01 volume 0.58956E-03 ppm1 9.000 ppm2 5.590 CV 1
ASSI { 914}
(( segid "SH3 " and resid 340 and name HE1 ))
(( segid "SH3 " and resid 340 and name HD1 ))
2.300 1.100 1.100 peak 914 weight 0.10000E+01 volume 0.67883E-02 ppm1 10.130 ppm2 7.100 CV 1
ASSI { 728}
(( segid "SH3 " and resid 343 and name HN ))
(( segid "SH3 " and resid 352 and name HN ))
3.600 2.200 2.200 peak 728 weight 0.10000E+01 volume 0.61996E-03 ppm1 9.000 ppm2 -0.290 CV 1
ASSI { 424}
(( segid "SH3 " and resid 340 and name HE1 ))
(( segid "SH3 " and resid 340 and name HB1 ))
4.600 2.500 1.400 peak 424 weight 0.10000E+01 volume 0.41398E-03 ppm1 10.110 ppm2 3.430 CV 1
ASSI { 420}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 351 and name HN ))
4.500 2.300 1.500 peak 420 weight 0.10000E+01 volume 0.54150E-03 ppm1 10.100 ppm2 8.830 CV 1
ASSI { 433}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 319 and name HD22))
3.500 2.100 2.100 peak 433 weight 0.10000E+01 volume 0.80930E-03 ppm1 10.100 ppm2 6.870 CV 1
ASSI { 421}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 351 and name HD1 ))
2.200 0.900 0.900 peak 421 weight 0.10000E+01 volume 0.10300E-01 ppm1 10.100 ppm2 7.450 CV 1
ASSI { 428}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 342 and name HB2 ))
3.600 2.200 2.200 peak 428 weight 0.10000E+01 volume 0.62879E-03 ppm1 10.100 ppm2 0.710 CV 1
ASSI { 425}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 319 and name HB1 ))
3.800 2.000 2.000 peak 425 weight 0.10000E+01 volume 0.92212E-03 ppm1 10.090 ppm2 3.240 CV 1
ASSI { 422}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 351 and name HZ2 ))
2.600 1.200 1.200 peak 422 weight 0.10000E+01 volume 0.51992E-02 ppm1 10.090 ppm2 7.360 CV 1
ASSI { 431}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 342 and name HG2 ))
3.900 2.100 2.100 peak 431 weight 0.10000E+01 volume 0.77794E-03 ppm1 10.090 ppm2 -0.400 CV 1
ASSI { 426}
(( segid "SH3 " and resid 351 and name HE1 ))
(( segid "SH3 " and resid 319 and name HB2 ))
4.600 2.200 1.400 peak 426 weight 0.10000E+01 volume 0.65630E-03 ppm1 10.090 ppm2 2.990 CV 1
ASSI { 787}
(( segid "SH3 " and resid 315 and name HN ))
(( segid "SH3 " and resid 323 and name HN ))
5.000 2.300 1.000 peak 787 weight 0.10000E+01 volume 0.52483E-03 ppm1 8.300 ppm2 9.000 CV 1
ASSI { 164}
(( segid "SH3 " and resid 315 and name HN ))
( segid "SH3 " and resid 315 and name HB% )
2.200 1.000 1.000 peak 164 weight 0.10000E+01 volume 0.81225E-02 ppm1 8.300 ppm2 1.290 CV 1
ASSI { 161}
(( segid "SH3 " and resid 315 and name HN ))
(( segid "SH3 " and resid 314 and name HA ))
1.900 0.900 0.900 peak 161 weight 0.10000E+01 volume 0.12164E-01 ppm1 8.300 ppm2 4.030 CV 1
ASSI { 165}
(( segid "SH3 " and resid 315 and name HN ))
( segid "SH3 " and resid 314 and name HG1%)
3.600 1.200 1.200 peak 165 weight 0.10000E+01 volume 0.43752E-02 ppm1 8.300 ppm2 0.820 CV 1
ASSI { 895}
(( segid "SH3 " and resid 315 and name HN ))
(( segid "SH3 " and resid 322 and name HA ))
2.500 1.500 1.500 peak 895 weight 0.10000E+01 volume 0.23936E-02 ppm1 8.300 ppm2 5.050 CV 1
ASSI { 162}
(( segid "SH3 " and resid 315 and name HN ))
(( segid "SH3 " and resid 315 and name HA ))
2.600 1.400 1.400 peak 162 weight 0.10000E+01 volume 0.25800E-02 ppm1 8.300 ppm2 3.790 CV 1
ASSI { 163}
(( segid "SH3 " and resid 315 and name HN ))
(( segid "SH3 " and resid 314 and name HB ))
4.000 2.000 2.000 peak 163 weight 0.10000E+01 volume 0.85736E-03 ppm1 8.300 ppm2 1.730 CV 1
ASSI { 149}
(( segid "SH3 " and resid 314 and name HN ))
(( segid "SH3 " and resid 314 and name HA ))
2.800 1.500 1.500 peak 149 weight 0.10000E+01 volume 0.22563E-02 ppm1 7.910 ppm2 4.040 CV 1
ASSI { 151}
(( segid "SH3 " and resid 314 and name HN ))
(( segid "SH3 " and resid 314 and name HB ))
2.500 1.200 1.200 peak 151 weight 0.10000E+01 volume 0.50226E-02 ppm1 7.910 ppm2 1.730 CV 1
ASSI { 145}
(( segid "SH3 " and resid 314 and name HN ))
(( segid "SH3 " and resid 315 and name HN ))
4.100 2.000 1.900 peak 145 weight 0.10000E+01 volume 0.82991E-03 ppm1 7.910 ppm2 8.290 CV 1
ASSI { 152}
(( segid "SH3 " and resid 314 and name HN ))
( segid "SH3 " and resid 314 and name HG2%)
3.300 1.100 1.100 peak 152 weight 0.10000E+01 volume 0.54935E-02 ppm1 7.910 ppm2 0.850 CV 1
ASSI { 147}
(( segid "SH3 " and resid 314 and name HN ))
(( segid "SH3 " and resid 313 and name HA ))
2.100 1.000 1.000 peak 147 weight 0.10000E+01 volume 0.99078E-02 ppm1 7.910 ppm2 4.970 CV 1
ASSI { 150}
(( segid "SH3 " and resid 314 and name HN ))
(( segid "SH3 " and resid 313 and name HB2 ))
3.900 2.000 2.000 peak 150 weight 0.10000E+01 volume 0.93780E-03 ppm1 7.920 ppm2 3.180 CV 1
ASSI { 146}
(( segid "SH3 " and resid 314 and name HN ))
( segid "SH3 " and resid 313 and name HD% )
3.300 1.900 1.900 peak 146 weight 0.10000E+01 volume 0.10693E-02 ppm1 7.910 ppm2 7.370 CV 1
ASSI { 485}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 341 and name HB2 ))
3.800 1.600 1.600 peak 485 weight 0.10000E+01 volume 0.18050E-02 ppm1 8.130 ppm2 2.200 CV 1
ASSI { 738}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 343 and name HN ))
4.200 2.100 1.800 peak 738 weight 0.10000E+01 volume 0.69847E-03 ppm1 8.120 ppm2 8.980 CV 1
ASSI { 479}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 334 and name HA ))
3.100 1.600 1.600 peak 479 weight 0.10000E+01 volume 0.18933E-02 ppm1 8.120 ppm2 5.470 CV 1
ASSI { 478}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 351 and name HZ3 ))
3.200 1.900 1.900 peak 478 weight 0.10000E+01 volume 0.10594E-02 ppm1 8.120 ppm2 6.850 CV 1
ASSI { 481}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 333 and name HA1 ))
4.200 2.500 1.800 peak 481 weight 0.10000E+01 volume 0.43359E-03 ppm1 8.130 ppm2 4.270 CV 1
ASSI { 490}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 342 and name HG2 ))
3.600 1.400 1.400 peak 490 weight 0.10000E+01 volume 0.29822E-02 ppm1 8.130 ppm2 -0.470 CV 1
ASSI { 480}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 341 and name HA ))
2.200 1.000 1.000 peak 480 weight 0.10000E+01 volume 0.73673E-02 ppm1 8.120 ppm2 5.120 CV 1
ASSI { 820}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 351 and name HE3 ))
3.800 2.300 2.200 peak 820 weight 0.10000E+01 volume 0.52777E-03 ppm1 8.120 ppm2 7.380 CV 1
ASSI { 487}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 342 and name HG1 ))
3.500 1.300 1.300 peak 487 weight 0.10000E+01 volume 0.32961E-02 ppm1 8.130 ppm2 1.090 CV 1
ASSI { 483}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 342 and name HA ))
2.800 1.600 1.600 peak 483 weight 0.10000E+01 volume 0.18148E-02 ppm1 8.130 ppm2 3.430 CV 1
ASSI { 488}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 342 and name HB2 ))
3.500 2.300 2.300 peak 488 weight 0.10000E+01 volume 0.55426E-03 ppm1 8.120 ppm2 0.710 CV 1
ASSI { 486}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 342 and name HB1 ))
3.300 2.200 2.200 peak 486 weight 0.10000E+01 volume 0.66315E-03 ppm1 8.120 ppm2 1.270 CV 1
ASSI { 489}
(( segid "SH3 " and resid 342 and name HN ))
( segid "SH3 " and resid 331 and name HG1%)
3.300 1.900 1.900 peak 489 weight 0.10000E+01 volume 0.10594E-02 ppm1 8.120 ppm2 0.280 CV 1
ASSI { 477}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 333 and name HN ))
3.000 1.600 1.600 peak 477 weight 0.10000E+01 volume 0.19031E-02 ppm1 8.120 ppm2 6.990 CV 1
ASSI { 491}
(( segid "SH3 " and resid 342 and name HN ))
(( segid "SH3 " and resid 332 and name HN ))
4.300 2.300 1.700 peak 491 weight 0.10000E+01 volume 0.52188E-03 ppm1 8.130 ppm2 -0.770 CV 1
ASSI { 335}
(( segid "SH3 " and resid 332 and name HN ))
(( segid "SH3 " and resid 342 and name HB1 ))
2.700 1.300 1.300 peak 335 weight 0.10000E+01 volume 0.33746E-02 ppm1 9.240 ppm2 1.330 CV 1
ASSI { 331}
(( segid "SH3 " and resid 332 and name HN ))
(( segid "SH3 " and resid 343 and name HA ))
3.300 1.500 1.500 peak 331 weight 0.10000E+01 volume 0.23642E-02 ppm1 9.240 ppm2 5.200 CV 1
ASSI { 338}
(( segid "SH3 " and resid 332 and name HN ))
( segid "SH3 " and resid 332 and name HD1%)
2.900 1.700 1.700 peak 338 weight 0.10000E+01 volume 0.14715E-02 ppm1 9.240 ppm2 0.560 CV 1
ASSI { 332}
(( segid "SH3 " and resid 332 and name HN ))
(( segid "SH3 " and resid 332 and name HA ))
2.900 1.600 1.600 peak 332 weight 0.10000E+01 volume 0.19521E-02 ppm1 9.240 ppm2 4.250 CV 1
ASSI { 330}
(( segid "SH3 " and resid 332 and name HN ))
(( segid "SH3 " and resid 333 and name HN ))
2.300 1.200 1.200 peak 330 weight 0.10000E+01 volume 0.44340E-02 ppm1 9.240 ppm2 6.990 CV 1
ASSI { 339}
(( segid "SH3 " and resid 332 and name HN ))
( segid "SH3 " and resid 331 and name HG1%)
3.100 1.400 1.400 peak 339 weight 0.10000E+01 volume 0.25407E-02 ppm1 9.240 ppm2 0.280 CV 1
ASSI { 333}
(( segid "SH3 " and resid 332 and name HN ))
(( segid "SH3 " and resid 331 and name HA ))
1.900 1.000 1.000 peak 333 weight 0.10000E+01 volume 0.85640E-02 ppm1 9.240 ppm2 3.950 CV 1
ASSI { 336}
(( segid "SH3 " and resid 332 and name HN ))
(( segid "SH3 " and resid 332 and name HB2 ))
3.200 1.400 1.400 peak 336 weight 0.10000E+01 volume 0.28645E-02 ppm1 9.240 ppm2 1.210 CV 1
ASSI { 326}
(( segid "SH3 " and resid 332 and name HN ))
(( segid "SH3 " and resid 331 and name HN ))
4.300 2.500 1.700 peak 326 weight 0.10000E+01 volume 0.43556E-03 ppm1 9.230 ppm2 8.590 CV 1
ASSI { 76}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 358 and name HN ))
4.600 2.400 1.400 peak 76 weight 0.10000E+01 volume 0.49540E-03 ppm1 9.490 ppm2 8.730 CV 1
ASSI { 83}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 310 and name HA ))
2.800 1.400 1.400 peak 83 weight 0.10000E+01 volume 0.25015E-02 ppm1 9.500 ppm2 3.900 CV 1
ASSI { 88}
(( segid "SH3 " and resid 310 and name HN ))
( segid "SH3 " and resid 310 and name HD2%)
2.800 1.300 1.300 peak 88 weight 0.10000E+01 volume 0.40122E-02 ppm1 9.500 ppm2 0.650 CV 1
ASSI { 86}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 310 and name HG ))
3.200 1.300 1.300 peak 86 weight 0.10000E+01 volume 0.32176E-02 ppm1 9.500 ppm2 1.100 CV 1
ASSI { 81}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 309 and name HA ))
2.000 1.000 1.000 peak 81 weight 0.10000E+01 volume 0.86721E-02 ppm1 9.500 ppm2 4.680 CV 1
ASSI { 82}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 356 and name HA ))
3.200 1.700 1.700 peak 82 weight 0.10000E+01 volume 0.15892E-02 ppm1 9.500 ppm2 4.770 CV 1
ASSI { 85}
(( segid "SH3 " and resid 310 and name HN ))
( segid "SH3 " and resid 309 and name HB% )
3.100 1.500 1.500 peak 85 weight 0.10000E+01 volume 0.23740E-02 ppm1 9.500 ppm2 1.550 CV 1
ASSI { 87}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 310 and name HB1 ))
3.400 1.400 1.400 peak 87 weight 0.10000E+01 volume 0.31588E-02 ppm1 9.500 ppm2 0.960 CV 1
ASSI { 79}
(( segid "SH3 " and resid 310 and name HN ))
( segid "SH3 " and resid 311 and name HD% )
4.200 2.200 1.800 peak 79 weight 0.10000E+01 volume 0.64158E-03 ppm1 9.490 ppm2 6.600 CV 1
ASSI { 89}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 310 and name HB2 ))
2.600 1.600 1.600 peak 89 weight 0.10000E+01 volume 0.17559E-02 ppm1 9.500 ppm2 0.480 CV 1
ASSI { 919}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 357 and name HA ))
2.700 1.300 1.300 peak 919 weight 0.10000E+01 volume 0.34727E-02 ppm1 9.500 ppm2 5.430 CV 1
ASSI { 84}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 357 and name HB ))
4.800 2.300 1.200 peak 84 weight 0.10000E+01 volume 0.59941E-03 ppm1 9.500 ppm2 1.710 CV 1
ASSI { 778}
(( segid "SH3 " and resid 310 and name HN ))
(( segid "SH3 " and resid 309 and name HN ))
4.300 2.300 1.700 peak 778 weight 0.10000E+01 volume 0.54739E-03 ppm1 9.500 ppm2 8.370 CV 1
ASSI { 72}
(( segid "SH3 " and resid 309 and name HN ))
( segid "SH3 " and resid 308 and name HG2%)
2.300 1.100 1.100 peak 72 weight 0.10000E+01 volume 0.57778E-02 ppm1 8.370 ppm2 0.810 CV 1
ASSI { 920}
(( segid "SH3 " and resid 309 and name HN ))
(( segid "SH3 " and resid 309 and name HA ))
2.600 1.400 1.400 peak 920 weight 0.10000E+01 volume 0.25702E-02 ppm1 8.370 ppm2 4.680 CV 1
ASSI { 891}
(( segid "SH3 " and resid 309 and name HN ))
(( segid "SH3 " and resid 308 and name HA ))
1.900 0.900 0.900 peak 891 weight 0.10000E+01 volume 0.13440E-01 ppm1 8.370 ppm2 5.240 CV 1
ASSI { 71}
(( segid "SH3 " and resid 309 and name HN ))
( segid "SH3 " and resid 309 and name HB% )
2.200 1.000 1.000 peak 71 weight 0.10000E+01 volume 0.86427E-02 ppm1 8.370 ppm2 1.550 CV 1
ASSI { 70}
(( segid "SH3 " and resid 309 and name HN ))
(( segid "SH3 " and resid 308 and name HB ))
3.700 1.500 1.500 peak 70 weight 0.10000E+01 volume 0.23249E-02 ppm1 8.370 ppm2 1.690 CV 1
ASSI { 75}
(( segid "SH3 " and resid 309 and name HN ))
(( segid "SH3 " and resid 329 and name HN ))
4.400 2.100 1.600 peak 75 weight 0.10000E+01 volume 0.72004E-03 ppm1 8.370 ppm2 -0.840 CV 1
ASSI { 26}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 305 and name HN ))
5.300 2.700 0.700 peak 26 weight 0.10000E+01 volume 0.34335E-03 ppm1 9.320 ppm2 8.490 CV 1
ASSI { 25}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 331 and name HN ))
3.900 2.600 2.100 peak 25 weight 0.10000E+01 volume 0.35708E-03 ppm1 9.330 ppm2 8.580 CV 1
ASSI { 35}
(( segid "SH3 " and resid 307 and name HN ))
( segid "SH3 " and resid 306 and name HD2%)
4.500 1.800 1.500 peak 35 weight 0.10000E+01 volume 0.12753E-02 ppm1 9.320 ppm2 0.870 CV 1
ASSI { 36}
(( segid "SH3 " and resid 307 and name HN ))
( segid "SH3 " and resid 331 and name HG2%)
4.500 2.400 1.500 peak 36 weight 0.10000E+01 volume 0.45616E-03 ppm1 9.320 ppm2 -0.110 CV 1
ASSI { 27}
(( segid "SH3 " and resid 307 and name HN ))
( segid "SH3 " and resid 307 and name HD% )
2.900 1.600 1.600 peak 27 weight 0.10000E+01 volume 0.16677E-02 ppm1 9.320 ppm2 6.920 CV 1
ASSI { 29}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 306 and name HA ))
2.000 1.000 1.000 peak 29 weight 0.10000E+01 volume 0.83874E-02 ppm1 9.320 ppm2 4.980 CV 1
ASSI { 30}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 307 and name HB2 ))
2.600 1.400 1.400 peak 30 weight 0.10000E+01 volume 0.27958E-02 ppm1 9.320 ppm2 2.720 CV 1
OR { 30}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 307 and name HB1 ))
ASSI { 32}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 306 and name HB1 ))
3.800 1.700 1.700 peak 32 weight 0.10000E+01 volume 0.16186E-02 ppm1 9.320 ppm2 1.700 CV 1
OR { 32}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 306 and name HB2 ))
ASSI { 28}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 307 and name HA ))
2.700 1.500 1.500 peak 28 weight 0.10000E+01 volume 0.21974E-02 ppm1 9.320 ppm2 5.210 CV 1
ASSI { 24}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 306 and name HN ))
4.300 2.400 1.700 peak 24 weight 0.10000E+01 volume 0.51992E-03 ppm1 9.330 ppm2 7.650 CV 1
ASSI { 40}
(( segid "SH3 " and resid 307 and name HN ))
( segid "SH3 " and resid 329 and name HD1%)
4.200 2.100 1.800 peak 40 weight 0.10000E+01 volume 0.72887E-03 ppm1 9.320 ppm2 0.620 CV 1
ASSI { 199}
(( segid "SH3 " and resid 321 and name HN ))
(( segid "SH3 " and resid 351 and name HB2 ))
4.800 2.400 1.200 peak 199 weight 0.10000E+01 volume 0.47381E-03 ppm1 8.230 ppm2 2.880 CV 1
ASSI { 194}
(( segid "SH3 " and resid 321 and name HN ))
(( segid "SH3 " and resid 351 and name HN ))
3.300 1.800 1.800 peak 194 weight 0.10000E+01 volume 0.12556E-02 ppm1 8.230 ppm2 8.820 CV 1
ASSI { 195}
(( segid "SH3 " and resid 321 and name HN ))
( segid "SH3 " and resid 313 and name HD% )
3.500 2.000 2.000 peak 195 weight 0.10000E+01 volume 0.88385E-03 ppm1 8.220 ppm2 7.390 CV 1
ASSI { 198}
(( segid "SH3 " and resid 321 and name HN ))
(( segid "SH3 " and resid 350 and name HA2 ))
4.700 2.200 1.300 peak 198 weight 0.10000E+01 volume 0.60235E-03 ppm1 8.230 ppm2 4.020 CV 1
ASSI { 922}
(( segid "SH3 " and resid 321 and name HN ))
( segid "SH3 " and resid 352 and name HG1%)
3.000 1.700 1.700 peak 922 weight 0.10000E+01 volume 0.16285E-02 ppm1 8.220 ppm2 0.970 CV 1
ASSI { 200}
(( segid "SH3 " and resid 321 and name HN ))
(( segid "SH3 " and resid 321 and name HB1 ))
2.300 1.300 1.300 peak 200 weight 0.10000E+01 volume 0.37081E-02 ppm1 8.230 ppm2 1.560 CV 1
ASSI { 201}
(( segid "SH3 " and resid 321 and name HN ))
( segid "SH3 " and resid 315 and name HB% )
2.900 1.500 1.500 peak 201 weight 0.10000E+01 volume 0.24917E-02 ppm1 8.230 ppm2 1.280 CV 1
ASSI { 197}
(( segid "SH3 " and resid 321 and name HN ))
(( segid "SH3 " and resid 320 and name HA ))
2.200 1.100 1.100 peak 197 weight 0.10000E+01 volume 0.63569E-02 ppm1 8.230 ppm2 5.150 CV 1
ASSI { 38}
(( segid "SH3 " and resid 307 and name HN ))
(( segid "SH3 " and resid 329 and name HN ))
2.800 1.600 1.600 peak 38 weight 0.10000E+01 volume 0.17266E-02 ppm1 9.320 ppm2 -0.850 CV 1
ASSI { 189}
(( segid "SH3 " and resid 321 and name HN ))
( segid "SH3 " and resid 313 and name HE% )
3.400 1.800 1.800 peak 189 weight 0.10000E+01 volume 0.12556E-02 ppm1 8.230 ppm2 7.500 CV 1
ASSI { 193}
(( segid "SH3 " and resid 321 and name HN ))
( segid "SH3 " and resid 321 and name HD1%)
4.600 2.000 1.400 peak 193 weight 0.10000E+01 volume 0.92116E-03 ppm1 8.220 ppm2 0.600 CV 1
ASSI { 924}
(( segid "SH3 " and resid 321 and name HN ))
(( segid "SH3 " and resid 320 and name HB ))
2.200 1.100 1.100 peak 924 weight 0.10000E+01 volume 0.53954E-02 ppm1 8.220 ppm2 4.610 CV 1
ASSI { 192}
(( segid "SH3 " and resid 321 and name HN ))
(( segid "SH3 " and resid 321 and name HB2 ))
3.000 1.500 1.500 peak 192 weight 0.10000E+01 volume 0.24623E-02 ppm1 8.220 ppm2 0.770 CV 1
ASSI { 249}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 325 and name HD1 ))
4.200 1.700 1.700 peak 249 weight 0.10000E+01 volume 0.13930E-02 ppm1 8.920 ppm2 1.140 CV 1
OR { 249}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 325 and name HD2 ))
ASSI { 324}
(( segid "SH3 " and resid 331 and name HN ))
(( segid "SH3 " and resid 330 and name HA ))
2.000 1.000 1.000 peak 324 weight 0.10000E+01 volume 0.99078E-02 ppm1 8.570 ppm2 5.110 CV 1
ASSI { 804}
(( segid "SH3 " and resid 331 and name HN ))
(( segid "SH3 " and resid 330 and name HB1 ))
3.400 1.500 1.500 peak 804 weight 0.10000E+01 volume 0.20993E-02 ppm1 8.570 ppm2 1.700 CV 1
OR { 804}
(( segid "SH3 " and resid 331 and name HN ))
(( segid "SH3 " and resid 330 and name HB2 ))
ASSI { 323}
(( segid "SH3 " and resid 331 and name HN ))
(( segid "SH3 " and resid 331 and name HA ))
2.700 1.600 1.600 peak 323 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.570 ppm2 3.960 CV 1
ASSI { 319}
(( segid "SH3 " and resid 331 and name HN ))
( segid "SH3 " and resid 331 and name HG2%)
2.500 1.300 1.300 peak 319 weight 0.10000E+01 volume 0.35708E-02 ppm1 8.570 ppm2 -0.090 CV 1
ASSI { 320}
(( segid "SH3 " and resid 331 and name HN ))
(( segid "SH3 " and resid 331 and name HB ))
2.300 1.100 1.100 peak 320 weight 0.10000E+01 volume 0.59448E-02 ppm1 8.570 ppm2 1.530 CV 1
ASSI { 322}
(( segid "SH3 " and resid 331 and name HN ))
(( segid "SH3 " and resid 305 and name HB1 ))
3.300 1.900 1.900 peak 322 weight 0.10000E+01 volume 0.10300E-02 ppm1 8.570 ppm2 3.090 CV 1
ASSI { 315}
(( segid "SH3 " and resid 331 and name HN ))
(( segid "SH3 " and resid 305 and name HA ))
3.200 1.800 1.800 peak 315 weight 0.10000E+01 volume 0.11772E-02 ppm1 8.590 ppm2 4.930 CV 1
ASSI { 317}
(( segid "SH3 " and resid 331 and name HN ))
( segid "SH3 " and resid 331 and name HG1%)
3.900 1.700 1.700 peak 317 weight 0.10000E+01 volume 0.16383E-02 ppm1 8.570 ppm2 0.270 CV 1
ASSI { 925}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 312 and name HA ))
2.200 0.900 0.900 peak 925 weight 0.10000E+01 volume 0.11674E-01 ppm1 8.920 ppm2 4.890 CV 1
ASSI { 244}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 325 and name HB1 ))
2.300 1.100 1.100 peak 244 weight 0.10000E+01 volume 0.61701E-02 ppm1 8.920 ppm2 1.660 CV 1
OR { 244}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 325 and name HB2 ))
ASSI { 314}
(( segid "SH3 " and resid 331 and name HN ))
( segid "SH3 " and resid 307 and name HD% )
3.100 1.900 1.900 peak 314 weight 0.10000E+01 volume 0.10300E-02 ppm1 8.570 ppm2 6.920 CV 1
ASSI { 245}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 325 and name HG2 ))
2.400 1.100 1.100 peak 245 weight 0.10000E+01 volume 0.59839E-02 ppm1 8.920 ppm2 1.530 CV 1
OR { 245}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 325 and name HG1 ))
ASSI { 246}
(( segid "SH3 " and resid 325 and name HN ))
( segid "SH3 " and resid 324 and name HG2%)
2.800 1.300 1.300 peak 246 weight 0.10000E+01 volume 0.33255E-02 ppm1 8.920 ppm2 1.260 CV 1
ASSI { 313}
(( segid "SH3 " and resid 331 and name HN ))
( segid "SH3 " and resid 307 and name HE% )
4.100 2.100 1.900 peak 313 weight 0.10000E+01 volume 0.71613E-03 ppm1 8.570 ppm2 7.340 CV 1
ASSI { 248}
(( segid "SH3 " and resid 325 and name HN ))
(( segid "SH3 " and resid 324 and name HN ))
3.800 1.800 1.800 peak 248 weight 0.10000E+01 volume 0.12949E-02 ppm1 8.920 ppm2 -0.990 CV 1
ASSI { 799}
(( segid "SH3 " and resid 327 and name HN ))
( segid "SH3 " and resid 324 and name HG2%)
4.200 2.300 1.800 peak 799 weight 0.10000E+01 volume 0.59646E-03 ppm1 8.500 ppm2 1.250 CV 1
ASSI { 767}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 325 and name HA ))
3.000 1.600 1.600 peak 767 weight 0.10000E+01 volume 0.20012E-02 ppm1 8.500 ppm2 3.280 CV 1
ASSI { 801}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 308 and name HA ))
4.500 2.300 1.500 peak 801 weight 0.10000E+01 volume 0.53267E-03 ppm1 8.500 ppm2 5.220 CV 1
ASSI { 765}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 326 and name HN ))
2.400 1.200 1.200 peak 765 weight 0.10000E+01 volume 0.47283E-02 ppm1 8.500 ppm2 8.950 CV 1
ASSI { 773}
(( segid "SH3 " and resid 327 and name HN ))
( segid "SH3 " and resid 308 and name HG2%)
3.400 1.700 1.700 peak 773 weight 0.10000E+01 volume 0.13832E-02 ppm1 8.500 ppm2 0.820 CV 1
ASSI { 772}
(( segid "SH3 " and resid 327 and name HN ))
( segid "SH3 " and resid 309 and name HB% )
2.300 1.100 1.100 peak 772 weight 0.10000E+01 volume 0.69354E-02 ppm1 8.500 ppm2 1.550 CV 1
ASSI { 771}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 327 and name HG1 ))
3.300 1.200 1.200 peak 771 weight 0.10000E+01 volume 0.53071E-02 ppm1 8.500 ppm2 2.090 CV 1
OR { 771}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 327 and name HG2 ))
ASSI { 766}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 326 and name HA2 ))
3.100 1.600 1.600 peak 766 weight 0.10000E+01 volume 0.19228E-02 ppm1 8.500 ppm2 3.450 CV 1
ASSI { 769}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 327 and name HB1 ))
3.000 1.600 1.600 peak 769 weight 0.10000E+01 volume 0.16971E-02 ppm1 8.500 ppm2 2.510 CV 1
ASSI { 770}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 327 and name HB2 ))
2.200 1.000 1.000 peak 770 weight 0.10000E+01 volume 0.77008E-02 ppm1 8.500 ppm2 2.330 CV 1
ASSI { 800}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 327 and name HA ))
2.500 1.100 1.100 peak 800 weight 0.10000E+01 volume 0.54347E-02 ppm1 8.500 ppm2 4.300 CV 1
ASSI { 802}
(( segid "SH3 " and resid 327 and name HN ))
(( segid "SH3 " and resid 324 and name HB ))
3.900 2.300 2.100 peak 802 weight 0.10000E+01 volume 0.57093E-03 ppm1 8.500 ppm2 3.910 CV 1
ASSI { 276}
(( segid "SH3 " and resid 328 and name HN ))
( segid "SH3 " and resid 308 and name HG2%)
3.700 2.100 2.100 peak 276 weight 0.10000E+01 volume 0.70826E-03 ppm1 8.310 ppm2 0.820 CV 1
ASSI { 280}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 327 and name HG1 ))
3.100 1.700 1.700 peak 280 weight 0.10000E+01 volume 0.16383E-02 ppm1 8.320 ppm2 2.100 CV 1
OR { 280}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 327 and name HG2 ))
ASSI { 282}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 327 and name HB1 ))
3.600 1.700 1.700 peak 282 weight 0.10000E+01 volume 0.15892E-02 ppm1 8.310 ppm2 2.500 CV 1
ASSI { 284}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 328 and name HA ))
2.600 1.400 1.400 peak 284 weight 0.10000E+01 volume 0.26487E-02 ppm1 8.320 ppm2 5.220 CV 1
ASSI { 277}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 328 and name HD1 ))
3.700 1.700 1.700 peak 277 weight 0.10000E+01 volume 0.16383E-02 ppm1 8.320 ppm2 1.450 CV 1
OR { 277}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 328 and name HD2 ))
ASSI { 278}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 328 and name HG1 ))
2.600 1.300 1.300 peak 278 weight 0.10000E+01 volume 0.38259E-02 ppm1 8.320 ppm2 1.680 CV 1
OR { 278}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 328 and name HG2 ))
ASSI { 281}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 327 and name HB2 ))
3.500 1.300 1.300 peak 281 weight 0.10000E+01 volume 0.35316E-02 ppm1 8.320 ppm2 2.330 CV 1
ASSI { 283}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 327 and name HA ))
2.000 0.800 0.800 peak 283 weight 0.10000E+01 volume 0.15304E-01 ppm1 8.320 ppm2 4.290 CV 1
ASSI { 279}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 328 and name HB2 ))
2.400 1.100 1.100 peak 279 weight 0.10000E+01 volume 0.67294E-02 ppm1 8.320 ppm2 1.860 CV 1
OR { 279}
(( segid "SH3 " and resid 328 and name HN ))
(( segid "SH3 " and resid 328 and name HB1 ))
ASSI { 405}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 338 and name HA2 ))
3.200 1.800 1.800 peak 405 weight 0.10000E+01 volume 0.12459E-02 ppm1 8.400 ppm2 3.700 CV 1
ASSI { 409}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 337 and name HN ))
4.300 2.500 1.700 peak 409 weight 0.10000E+01 volume 0.44340E-03 ppm1 8.400 ppm2 6.570 CV 1
ASSI { 814}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 335 and name HD22))
4.100 1.600 1.600 peak 814 weight 0.10000E+01 volume 0.18050E-02 ppm1 8.400 ppm2 7.070 CV 1
ASSI { 815}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 337 and name HB2 ))
3.700 2.200 2.200 peak 815 weight 0.10000E+01 volume 0.64939E-03 ppm1 8.400 ppm2 2.510 CV 1
ASSI { 407}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 338 and name HA1 ))
3.600 1.800 1.800 peak 407 weight 0.10000E+01 volume 0.12164E-02 ppm1 8.400 ppm2 4.200 CV 1
ASSI { 813}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 339 and name HB2 ))
2.100 1.000 1.000 peak 813 weight 0.10000E+01 volume 0.83189E-02 ppm1 8.400 ppm2 2.150 CV 1
ASSI { 406}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 339 and name HA ))
2.600 1.300 1.300 peak 406 weight 0.10000E+01 volume 0.34433E-02 ppm1 8.400 ppm2 4.060 CV 1
ASSI { 404}
(( segid "SH3 " and resid 339 and name HN ))
(( segid "SH3 " and resid 337 and name HB1 ))
3.900 2.500 2.100 peak 404 weight 0.10000E+01 volume 0.41594E-03 ppm1 8.400 ppm2 3.210 CV 1
ASSI { 134}
(( segid "SH3 " and resid 313 and name HN ))
(( segid "SH3 " and resid 313 and name HB2 ))
2.800 1.600 1.600 peak 134 weight 0.10000E+01 volume 0.19031E-02 ppm1 8.920 ppm2 3.170 CV 1
ASSI { 128}
(( segid "SH3 " and resid 313 and name HN ))
( segid "SH3 " and resid 313 and name HD% )
4.300 2.000 1.700 peak 128 weight 0.10000E+01 volume 0.82306E-03 ppm1 8.920 ppm2 7.370 CV 1
ASSI { 127}
(( segid "SH3 " and resid 313 and name HN ))
(( segid "SH3 " and resid 314 and name HN ))
4.500 2.400 1.500 peak 127 weight 0.10000E+01 volume 0.49834E-03 ppm1 8.920 ppm2 7.900 CV 1
ASSI { 131}
(( segid "SH3 " and resid 313 and name HN ))
(( segid "SH3 " and resid 313 and name HA ))
2.700 1.400 1.400 peak 131 weight 0.10000E+01 volume 0.31097E-02 ppm1 8.930 ppm2 5.030 CV 1
ASSI { 137}
(( segid "SH3 " and resid 313 and name HN ))
(( segid "SH3 " and resid 312 and name HB2 ))
3.600 1.600 1.600 peak 137 weight 0.10000E+01 volume 0.16775E-02 ppm1 8.920 ppm2 2.630 CV 1
ASSI { 926}
(( segid "SH3 " and resid 313 and name HN ))
( segid "SH3 " and resid 323 and name HD1%)
3.200 1.500 1.500 peak 926 weight 0.10000E+01 volume 0.20306E-02 ppm1 8.920 ppm2 0.850 CV 1
OR { 926}
(( segid "SH3 " and resid 313 and name HN ))
( segid "SH3 " and resid 323 and name HG2%)
ASSI { 136}
(( segid "SH3 " and resid 313 and name HN ))
(( segid "SH3 " and resid 312 and name HB1 ))
3.700 1.400 1.400 peak 136 weight 0.10000E+01 volume 0.25506E-02 ppm1 8.920 ppm2 2.730 CV 1
ASSI { 130}
(( segid "SH3 " and resid 313 and name HN ))
(( segid "SH3 " and resid 312 and name HA ))
2.000 0.900 0.900 peak 130 weight 0.10000E+01 volume 0.10889E-01 ppm1 8.920 ppm2 4.860 CV 1
ASSI { 135}
(( segid "SH3 " and resid 313 and name HN ))
(( segid "SH3 " and resid 313 and name HB1 ))
2.700 1.400 1.400 peak 135 weight 0.10000E+01 volume 0.26192E-02 ppm1 8.920 ppm2 3.040 CV 1
ASSI { 2}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 304 and name HA ))
4.300 2.300 1.700 peak 2 weight 0.10000E+01 volume 0.56014E-03 ppm1 7.650 ppm2 4.490 CV 1
ASSI { 716}
(( segid "SH3 " and resid 362 and name HN ))
(( segid "SH3 " and resid 362 and name HA ))
3.000 1.600 1.600 peak 716 weight 0.10000E+01 volume 0.19521E-02 ppm1 7.820 ppm2 4.190 CV 1
ASSI { 718}
(( segid "SH3 " and resid 362 and name HN ))
(( segid "SH3 " and resid 361 and name HB1 ))
4.600 2.400 1.400 peak 718 weight 0.10000E+01 volume 0.48755E-03 ppm1 7.820 ppm2 2.780 CV 1
ASSI { 4}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 305 and name HB2 ))
3.600 2.100 2.100 peak 4 weight 0.10000E+01 volume 0.73379E-03 ppm1 7.650 ppm2 2.930 CV 1
ASSI { 717}
(( segid "SH3 " and resid 362 and name HN ))
(( segid "SH3 " and resid 362 and name HB2 ))
3.400 1.800 1.800 peak 717 weight 0.10000E+01 volume 0.11870E-02 ppm1 7.820 ppm2 3.800 CV 1
OR { 717}
(( segid "SH3 " and resid 362 and name HN ))
(( segid "SH3 " and resid 362 and name HB1 ))
ASSI { 719}
(( segid "SH3 " and resid 362 and name HN ))
( segid "SH3 " and resid 360 and name HG2%)
2.800 1.900 1.900 peak 719 weight 0.10000E+01 volume 0.10202E-02 ppm1 7.820 ppm2 0.830 CV 1
ASSI { 3}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 305 and name HB1 ))
4.100 2.100 1.900 peak 3 weight 0.10000E+01 volume 0.73277E-03 ppm1 7.650 ppm2 3.090 CV 1
ASSI { 6}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 306 and name HB2 ))
2.600 1.300 1.300 peak 6 weight 0.10000E+01 volume 0.32274E-02 ppm1 7.650 ppm2 1.700 CV 1
OR { 6}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 306 and name HB1 ))
ASSI { 15}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 305 and name HA ))
2.700 1.200 1.200 peak 15 weight 0.10000E+01 volume 0.49932E-02 ppm1 7.650 ppm2 4.920 CV 1
ASSI { 12}
(( segid "SH3 " and resid 306 and name HN ))
( segid "SH3 " and resid 307 and name HE% )
3.800 2.100 2.100 peak 12 weight 0.10000E+01 volume 0.70141E-03 ppm1 7.650 ppm2 7.330 CV 1
ASSI { 11}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 360 and name HN ))
3.600 1.900 1.900 peak 11 weight 0.10000E+01 volume 0.97709E-03 ppm1 7.650 ppm2 7.960 CV 1
ASSI { 17}
(( segid "SH3 " and resid 306 and name HN ))
( segid "SH3 " and resid 306 and name HD2%)
4.600 1.900 1.400 peak 17 weight 0.10000E+01 volume 0.10104E-02 ppm1 7.650 ppm2 0.850 CV 1
ASSI { 16}
(( segid "SH3 " and resid 306 and name HN ))
(( segid "SH3 " and resid 304 and name HG2 ))
4.600 2.400 1.400 peak 16 weight 0.10000E+01 volume 0.46695E-03 ppm1 7.650 ppm2 1.990 CV 1
ASSI { 615}
(( segid "SH3 " and resid 351 and name HN ))
( segid "SH3 " and resid 320 and name HG2%)
3.900 1.700 1.700 peak 615 weight 0.10000E+01 volume 0.13832E-02 ppm1 8.810 ppm2 1.280 CV 1
ASSI { 617}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 351 and name HB1 ))
3.700 1.500 1.500 peak 617 weight 0.10000E+01 volume 0.21680E-02 ppm1 8.810 ppm2 3.210 CV 1
ASSI { 619}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 350 and name HA1 ))
2.600 1.200 1.200 peak 619 weight 0.10000E+01 volume 0.43262E-02 ppm1 8.810 ppm2 4.130 CV 1
ASSI { 620}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 320 and name HA ))
2.200 1.200 1.200 peak 620 weight 0.10000E+01 volume 0.53366E-02 ppm1 8.810 ppm2 5.150 CV 1
ASSI { 618}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 350 and name HA2 ))
2.300 1.200 1.200 peak 618 weight 0.10000E+01 volume 0.42281E-02 ppm1 8.810 ppm2 4.020 CV 1
ASSI { 622}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 351 and name HD1 ))
2.800 1.300 1.300 peak 622 weight 0.10000E+01 volume 0.33746E-02 ppm1 8.810 ppm2 7.450 CV 1
ASSI { 616}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 351 and name HB2 ))
2.300 1.300 1.300 peak 616 weight 0.10000E+01 volume 0.34433E-02 ppm1 8.810 ppm2 2.860 CV 1
ASSI { 621}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 351 and name HA ))
2.800 1.600 1.600 peak 621 weight 0.10000E+01 volume 0.17266E-02 ppm1 8.810 ppm2 5.440 CV 1
ASSI { 755}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 320 and name HB ))
4.300 2.100 1.700 peak 755 weight 0.10000E+01 volume 0.76419E-03 ppm1 8.810 ppm2 4.600 CV 1
ASSI { 641}
(( segid "SH3 " and resid 354 and name HN ))
(( segid "SH3 " and resid 354 and name HB1 ))
2.800 1.500 1.500 peak 641 weight 0.10000E+01 volume 0.24819E-02 ppm1 8.360 ppm2 3.830 CV 1
OR { 641}
(( segid "SH3 " and resid 354 and name HN ))
(( segid "SH3 " and resid 354 and name HB2 ))
ASSI { 640}
(( segid "SH3 " and resid 354 and name HN ))
(( segid "SH3 " and resid 353 and name HA ))
2.100 1.000 1.000 peak 640 weight 0.10000E+01 volume 0.85051E-02 ppm1 8.360 ppm2 3.550 CV 1
ASSI { 642}
(( segid "SH3 " and resid 354 and name HN ))
(( segid "SH3 " and resid 354 and name HA ))
2.600 1.300 1.300 peak 642 weight 0.10000E+01 volume 0.33354E-02 ppm1 8.360 ppm2 3.970 CV 1
ASSI { 613}
(( segid "SH3 " and resid 351 and name HN ))
(( segid "SH3 " and resid 352 and name HN ))
4.200 2.300 1.800 peak 613 weight 0.10000E+01 volume 0.54543E-03 ppm1 8.820 ppm2 -0.320 CV 1
ASSI { 639}
(( segid "SH3 " and resid 354 and name HN ))
(( segid "SH3 " and resid 341 and name HN ))
3.600 1.800 1.800 peak 639 weight 0.10000E+01 volume 0.12066E-02 ppm1 8.360 ppm2 -0.300 CV 1
ASSI { 638}
(( segid "SH3 " and resid 354 and name HN ))
(( segid "SH3 " and resid 340 and name HA ))
2.500 1.200 1.200 peak 638 weight 0.10000E+01 volume 0.52973E-02 ppm1 8.360 ppm2 5.080 CV 1
ASSI { 708}
(( segid "SH3 " and resid 360 and name HN ))
(( segid "SH3 " and resid 360 and name HA ))
2.700 1.400 1.400 peak 708 weight 0.10000E+01 volume 0.27566E-02 ppm1 7.960 ppm2 3.930 CV 1
ASSI { 707}
(( segid "SH3 " and resid 360 and name HN ))
(( segid "SH3 " and resid 307 and name HA ))
2.400 1.200 1.200 peak 707 weight 0.10000E+01 volume 0.41888E-02 ppm1 7.970 ppm2 5.210 CV 1
ASSI { 874}
(( segid "SH3 " and resid 360 and name HN ))
(( segid "SH3 " and resid 307 and name HB1 ))
5.000 2.400 1.000 peak 874 weight 0.10000E+01 volume 0.48657E-03 ppm1 7.970 ppm2 2.690 CV 1
OR { 874}
(( segid "SH3 " and resid 360 and name HN ))
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 713}
(( segid "SH3 " and resid 360 and name HN ))
( segid "SH3 " and resid 360 and name HG2%)
2.500 1.200 1.200 peak 713 weight 0.10000E+01 volume 0.50226E-02 ppm1 7.970 ppm2 0.820 CV 1
ASSI { 711}
(( segid "SH3 " and resid 360 and name HN ))
(( segid "SH3 " and resid 360 and name HB ))
2.700 1.200 1.200 peak 711 weight 0.10000E+01 volume 0.47186E-02 ppm1 7.970 ppm2 1.850 CV 1
ASSI { 706}
(( segid "SH3 " and resid 360 and name HN ))
( segid "SH3 " and resid 307 and name HD% )
4.700 2.500 1.300 peak 706 weight 0.10000E+01 volume 0.41005E-03 ppm1 7.960 ppm2 6.920 CV 1
ASSI { 933}
(( segid "SH3 " and resid 360 and name HN ))
(( segid "SH3 " and resid 306 and name HG ))
3.500 1.700 1.700 peak 933 weight 0.10000E+01 volume 0.15107E-02 ppm1 7.970 ppm2 1.590 CV 1
ASSI { 204}
(( segid "SH3 " and resid 322 and name HN ))
(( segid "SH3 " and resid 321 and name HB2 ))
4.100 1.800 1.800 peak 204 weight 0.10000E+01 volume 0.11870E-02 ppm1 8.130 ppm2 0.770 CV 1
ASSI { 209}
(( segid "SH3 " and resid 322 and name HN ))
(( segid "SH3 " and resid 322 and name HB1 ))
2.800 1.500 1.500 peak 209 weight 0.10000E+01 volume 0.22563E-02 ppm1 8.130 ppm2 4.030 CV 1
ASSI { 212}
(( segid "SH3 " and resid 322 and name HN ))
(( segid "SH3 " and resid 322 and name HA ))
2.700 1.500 1.500 peak 212 weight 0.10000E+01 volume 0.20699E-02 ppm1 8.130 ppm2 5.050 CV 1
ASSI { 373}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 341 and name HA ))
3.400 1.600 1.600 peak 373 weight 0.10000E+01 volume 0.18050E-02 ppm1 8.910 ppm2 5.120 CV 1
ASSI { 208}
(( segid "SH3 " and resid 322 and name HN ))
(( segid "SH3 " and resid 322 and name HB2 ))
2.700 1.300 1.300 peak 208 weight 0.10000E+01 volume 0.39240E-02 ppm1 8.130 ppm2 3.840 CV 1
ASSI { 307}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 344 and name HB1 ))
3.600 2.000 2.000 peak 307 weight 0.10000E+01 volume 0.92410E-03 ppm1 8.370 ppm2 1.950 CV 1
ASSI { 372}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 334 and name HA ))
2.300 1.100 1.100 peak 372 weight 0.10000E+01 volume 0.63371E-02 ppm1 8.910 ppm2 5.480 CV 1
ASSI { 371}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 351 and name HZ3 ))
2.900 1.400 1.400 peak 371 weight 0.10000E+01 volume 0.28056E-02 ppm1 8.920 ppm2 6.860 CV 1
ASSI { 935}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 340 and name HB2 ))
3.400 1.400 1.400 peak 935 weight 0.10000E+01 volume 0.25702E-02 ppm1 8.920 ppm2 2.560 CV 1
ASSI { 377}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 335 and name HB1 ))
2.500 1.200 1.200 peak 377 weight 0.10000E+01 volume 0.48167E-02 ppm1 8.910 ppm2 3.290 CV 1
ASSI { 311}
(( segid "SH3 " and resid 330 and name HN ))
( segid "SH3 " and resid 329 and name HD1%)
4.300 1.800 1.700 peak 311 weight 0.10000E+01 volume 0.12164E-02 ppm1 8.370 ppm2 0.620 CV 1
ASSI { 309}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 329 and name HB2 ))
2.800 1.300 1.300 peak 309 weight 0.10000E+01 volume 0.37768E-02 ppm1 8.370 ppm2 1.250 CV 1
ASSI { 376}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 338 and name HA2 ))
3.200 2.000 2.000 peak 376 weight 0.10000E+01 volume 0.84265E-03 ppm1 8.920 ppm2 3.700 CV 1
ASSI { 207}
(( segid "SH3 " and resid 322 and name HN ))
(( segid "SH3 " and resid 321 and name HB1 ))
4.100 2.000 1.900 peak 207 weight 0.10000E+01 volume 0.92308E-03 ppm1 8.130 ppm2 1.560 CV 1
ASSI { 368}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 338 and name HN ))
4.000 2.400 2.000 peak 368 weight 0.10000E+01 volume 0.51011E-03 ppm1 8.910 ppm2 7.630 CV 1
ASSI { 938}
(( segid "SH3 " and resid 335 and name HN ))
( segid "SH3 " and resid 334 and name HD% )
3.700 1.800 1.800 peak 938 weight 0.10000E+01 volume 0.12851E-02 ppm1 8.920 ppm2 7.090 CV 1
ASSI { 306}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 330 and name HD2 ))
4.900 2.500 1.100 peak 306 weight 0.10000E+01 volume 0.41692E-03 ppm1 8.360 ppm2 3.140 CV 1
OR { 306}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 330 and name HD1 ))
ASSI { 937}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 342 and name HN ))
4.700 2.300 1.300 peak 937 weight 0.10000E+01 volume 0.54445E-03 ppm1 8.910 ppm2 8.100 CV 1
ASSI { 378}
(( segid "SH3 " and resid 335 and name HN ))
(( segid "SH3 " and resid 334 and name HB2 ))
3.800 1.500 1.500 peak 378 weight 0.10000E+01 volume 0.22072E-02 ppm1 8.910 ppm2 2.960 CV 1
ASSI { 308}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 330 and name HB2 ))
2.400 1.200 1.200 peak 308 weight 0.10000E+01 volume 0.47381E-02 ppm1 8.370 ppm2 1.680 CV 1
OR { 308}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 330 and name HB1 ))
ASSI { 310}
(( segid "SH3 " and resid 330 and name HN ))
( segid "SH3 " and resid 343 and name HB% )
3.900 2.000 2.000 peak 310 weight 0.10000E+01 volume 0.93684E-03 ppm1 8.370 ppm2 1.080 CV 1
ASSI { 305}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 329 and name HA ))
2.000 1.000 1.000 peak 305 weight 0.10000E+01 volume 0.98099E-02 ppm1 8.370 ppm2 4.900 CV 1
ASSI { 301}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 344 and name HN ))
2.500 1.400 1.400 peak 301 weight 0.10000E+01 volume 0.30411E-02 ppm1 8.370 ppm2 8.790 CV 1
ASSI { 312}
(( segid "SH3 " and resid 330 and name HN ))
(( segid "SH3 " and resid 329 and name HN ))
3.900 2.100 2.100 peak 312 weight 0.10000E+01 volume 0.75632E-03 ppm1 8.370 ppm2 -0.850 CV 1
ASSI { 295}
(( segid "SH3 " and resid 329 and name HN ))
( segid "SH3 " and resid 306 and name HD1%)
3.400 1.900 1.900 peak 295 weight 0.10000E+01 volume 0.99078E-03 ppm1 9.140 ppm2 0.940 CV 1
ASSI { 942}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 329 and name HB2 ))
2.900 1.700 1.700 peak 942 weight 0.10000E+01 volume 0.14911E-02 ppm1 9.150 ppm2 1.250 CV 1
ASSI { 290}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 329 and name HA ))
2.600 1.400 1.400 peak 290 weight 0.10000E+01 volume 0.25506E-02 ppm1 9.140 ppm2 4.910 CV 1
ASSI { 291}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 307 and name HB2 ))
3.600 2.300 2.300 peak 291 weight 0.10000E+01 volume 0.58073E-03 ppm1 9.150 ppm2 2.730 CV 1
OR { 291}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 307 and name HB1 ))
ASSI { 289}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 328 and name HA ))
1.900 0.900 0.900 peak 289 weight 0.10000E+01 volume 0.12753E-01 ppm1 9.150 ppm2 5.220 CV 1
ASSI { 941}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 329 and name HB1 ))
3.000 1.200 1.200 peak 941 weight 0.10000E+01 volume 0.42869E-02 ppm1 9.150 ppm2 1.560 CV 1
ASSI { 292}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 328 and name HB2 ))
3.200 1.400 1.400 peak 292 weight 0.10000E+01 volume 0.29331E-02 ppm1 9.150 ppm2 1.840 CV 1
OR { 292}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 328 and name HB1 ))
ASSI { 287}
(( segid "SH3 " and resid 329 and name HN ))
(( segid "SH3 " and resid 328 and name HN ))
3.700 1.700 1.700 peak 287 weight 0.10000E+01 volume 0.14323E-02 ppm1 9.140 ppm2 8.340 CV 1
ASSI { 297}
(( segid "SH3 " and resid 329 and name HN ))
( segid "SH3 " and resid 329 and name HD1%)
3.700 1.500 1.500 peak 297 weight 0.10000E+01 volume 0.20601E-02 ppm1 9.150 ppm2 0.640 CV 1
ASSI { 586}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 348 and name HA2 ))
2.700 1.100 1.100 peak 586 weight 0.10000E+01 volume 0.66807E-02 ppm1 8.240 ppm2 3.910 CV 1
ASSI { 585}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 348 and name HA1 ))
2.200 1.000 1.000 peak 585 weight 0.10000E+01 volume 0.84463E-02 ppm1 8.240 ppm2 4.300 CV 1
ASSI { 587}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 349 and name HA ))
2.800 1.500 1.500 peak 587 weight 0.10000E+01 volume 0.20404E-02 ppm1 8.240 ppm2 5.610 CV 1
ASSI { 592}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 349 and name HG2 ))
2.800 1.400 1.400 peak 592 weight 0.10000E+01 volume 0.27075E-02 ppm1 8.240 ppm2 1.810 CV 1
OR { 592}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 349 and name HG1 ))
ASSI { 591}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 349 and name HB1 ))
3.000 1.400 1.400 peak 591 weight 0.10000E+01 volume 0.28547E-02 ppm1 8.240 ppm2 2.090 CV 1
OR { 591}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 349 and name HB2 ))
ASSI { 588}
(( segid "SH3 " and resid 349 and name HN ))
(( segid "SH3 " and resid 348 and name HN ))
4.300 2.000 1.700 peak 588 weight 0.10000E+01 volume 0.84168E-03 ppm1 8.240 ppm2 7.460 CV 1
ASSI { 667}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 356 and name HA ))
2.600 1.400 1.400 peak 667 weight 0.10000E+01 volume 0.29135E-02 ppm1 7.910 ppm2 4.740 CV 1
ASSI { 669}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 354 and name HA ))
3.800 2.000 2.000 peak 669 weight 0.10000E+01 volume 0.94765E-03 ppm1 7.910 ppm2 3.980 CV 1
ASSI { 950}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 353 and name HB2 ))
2.400 1.600 1.600 peak 950 weight 0.10000E+01 volume 0.16873E-02 ppm1 7.910 ppm2 1.310 CV 1
OR { 950}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 353 and name HB1 ))
ASSI { 668}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 355 and name HA ))
3.200 1.700 1.700 peak 668 weight 0.10000E+01 volume 0.15304E-02 ppm1 7.910 ppm2 4.850 CV 1
ASSI { 664}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 357 and name HN ))
2.200 1.100 1.100 peak 664 weight 0.10000E+01 volume 0.56997E-02 ppm1 7.910 ppm2 7.350 CV 1
ASSI { 677}
(( segid "SH3 " and resid 356 and name HN ))
( segid "SH3 " and resid 357 and name HD1%)
4.700 2.200 1.300 peak 677 weight 0.10000E+01 volume 0.63467E-03 ppm1 7.910 ppm2 0.230 CV 1
ASSI { 670}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 356 and name HB1 ))
3.500 1.400 1.400 peak 670 weight 0.10000E+01 volume 0.28252E-02 ppm1 7.910 ppm2 3.350 CV 1
ASSI { 671}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 356 and name HB2 ))
2.200 1.200 1.200 peak 671 weight 0.10000E+01 volume 0.45027E-02 ppm1 7.910 ppm2 3.190 CV 1
ASSI { 665}
(( segid "SH3 " and resid 356 and name HN ))
( segid "SH3 " and resid 356 and name HD% )
2.500 1.400 1.400 peak 665 weight 0.10000E+01 volume 0.25702E-02 ppm1 7.910 ppm2 7.030 CV 1
ASSI { 948}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 355 and name HN ))
2.500 1.400 1.400 peak 948 weight 0.10000E+01 volume 0.27075E-02 ppm1 7.910 ppm2 8.370 CV 1
ASSI { 230}
(( segid "SH3 " and resid 324 and name HN ))
(( segid "SH3 " and resid 327 and name HG2 ))
3.500 1.800 1.800 peak 230 weight 0.10000E+01 volume 0.13440E-02 ppm1 9.000 ppm2 2.100 CV 1
OR { 230}
(( segid "SH3 " and resid 324 and name HN ))
(( segid "SH3 " and resid 327 and name HG1 ))
ASSI { 676}
(( segid "SH3 " and resid 356 and name HN ))
( segid "SH3 " and resid 357 and name HG2%)
3.500 1.700 1.700 peak 676 weight 0.10000E+01 volume 0.14224E-02 ppm1 7.910 ppm2 0.630 CV 1
ASSI { 233}
(( segid "SH3 " and resid 324 and name HN ))
(( segid "SH3 " and resid 324 and name HB ))
2.700 1.300 1.300 peak 233 weight 0.10000E+01 volume 0.36198E-02 ppm1 9.000 ppm2 3.900 CV 1
ASSI { 227}
(( segid "SH3 " and resid 324 and name HN ))
( segid "SH3 " and resid 324 and name HG2%)
3.200 1.600 1.600 peak 227 weight 0.10000E+01 volume 0.17069E-02 ppm1 9.000 ppm2 1.260 CV 1
ASSI { 232}
(( segid "SH3 " and resid 324 and name HN ))
(( segid "SH3 " and resid 327 and name HB1 ))
3.600 2.000 2.000 peak 232 weight 0.10000E+01 volume 0.82991E-03 ppm1 9.000 ppm2 2.510 CV 1
ASSI { 231}
(( segid "SH3 " and resid 324 and name HN ))
(( segid "SH3 " and resid 327 and name HB2 ))
2.800 1.500 1.500 peak 231 weight 0.10000E+01 volume 0.22464E-02 ppm1 9.010 ppm2 2.330 CV 1
ASSI { 235}
(( segid "SH3 " and resid 324 and name HN ))
(( segid "SH3 " and resid 324 and name HA ))
2.800 1.500 1.500 peak 235 weight 0.10000E+01 volume 0.22661E-02 ppm1 9.000 ppm2 4.910 CV 1
ASSI { 868}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 355 and name HD22))
4.600 2.400 1.400 peak 868 weight 0.10000E+01 volume 0.49638E-03 ppm1 7.910 ppm2 6.610 CV 1
ASSI { 672}
(( segid "SH3 " and resid 356 and name HN ))
(( segid "SH3 " and resid 355 and name HB2 ))
3.600 2.600 2.400 peak 672 weight 0.10000E+01 volume 0.38062E-03 ppm1 7.910 ppm2 2.790 CV 1
ASSI { 228}
(( segid "SH3 " and resid 324 and name HN ))
( segid "SH3 " and resid 309 and name HB% )
3.700 1.900 1.900 peak 228 weight 0.10000E+01 volume 0.11085E-02 ppm1 9.010 ppm2 1.550 CV 1
ASSI { 443}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 334 and name HA ))
4.800 2.500 1.200 peak 443 weight 0.10000E+01 volume 0.41398E-03 ppm1 8.310 ppm2 5.470 CV 1
ASSI { 446}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 338 and name HN ))
4.600 2.300 1.400 peak 446 weight 0.10000E+01 volume 0.56799E-03 ppm1 8.320 ppm2 7.640 CV 1
ASSI { 438}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 340 and name HB2 ))
2.300 1.300 1.300 peak 438 weight 0.10000E+01 volume 0.33157E-02 ppm1 8.320 ppm2 2.540 CV 1
ASSI { 437}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 339 and name HB1 ))
3.400 1.600 1.600 peak 437 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.320 ppm2 2.150 CV 1
ASSI { 444}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 340 and name HD1 ))
3.100 1.500 1.500 peak 444 weight 0.10000E+01 volume 0.23936E-02 ppm1 8.320 ppm2 7.080 CV 1
ASSI { 450}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 338 and name HA2 ))
4.000 2.200 2.000 peak 450 weight 0.10000E+01 volume 0.62879E-03 ppm1 8.320 ppm2 3.700 CV 1
ASSI { 442}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 340 and name HA ))
2.700 1.500 1.500 peak 442 weight 0.10000E+01 volume 0.21778E-02 ppm1 8.320 ppm2 5.080 CV 1
ASSI { 440}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 340 and name HB1 ))
3.700 1.700 1.700 peak 440 weight 0.10000E+01 volume 0.14518E-02 ppm1 8.320 ppm2 3.450 CV 1
ASSI { 436}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 339 and name HG1 ))
4.100 1.900 1.900 peak 436 weight 0.10000E+01 volume 0.10399E-02 ppm1 8.320 ppm2 2.010 CV 1
OR { 436}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 339 and name HG2 ))
ASSI { 449}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 335 and name HN ))
3.600 1.800 1.800 peak 449 weight 0.10000E+01 volume 0.11478E-02 ppm1 8.320 ppm2 8.930 CV 1
ASSI { 451}
(( segid "SH3 " and resid 340 and name HN ))
(( segid "SH3 " and resid 335 and name HB1 ))
3.400 2.200 2.200 peak 451 weight 0.10000E+01 volume 0.66513E-03 ppm1 8.320 ppm2 3.280 CV 1
ASSI { 751}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 354 and name HB1 ))
4.400 2.600 1.600 peak 751 weight 0.10000E+01 volume 0.35708E-03 ppm1 9.710 ppm2 3.800 CV 1
OR { 751}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 354 and name HB2 ))
ASSI { 467}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 341 and name HB2 ))
2.700 1.800 1.800 peak 467 weight 0.10000E+01 volume 0.12164E-02 ppm1 9.710 ppm2 2.190 CV 1
ASSI { 748}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 342 and name HN ))
4.100 2.400 1.900 peak 748 weight 0.10000E+01 volume 0.48559E-03 ppm1 9.710 ppm2 8.130 CV 1
ASSI { 456}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 351 and name HZ3 ))
4.000 2.400 2.000 peak 456 weight 0.10000E+01 volume 0.48853E-03 ppm1 9.710 ppm2 6.860 CV 1
ASSI { 461}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 340 and name HA ))
2.100 1.000 1.000 peak 461 weight 0.10000E+01 volume 0.81129E-02 ppm1 9.710 ppm2 5.080 CV 1
ASSI { 459}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 340 and name HE3 ))
2.600 1.700 1.700 peak 459 weight 0.10000E+01 volume 0.15402E-02 ppm1 9.710 ppm2 7.420 CV 1
ASSI { 460}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 351 and name HA ))
4.000 2.100 2.000 peak 460 weight 0.10000E+01 volume 0.80438E-03 ppm1 9.710 ppm2 5.460 CV 1
ASSI { 466}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 341 and name HB1 ))
3.500 1.700 1.700 peak 466 weight 0.10000E+01 volume 0.14813E-02 ppm1 9.710 ppm2 2.400 CV 1
ASSI { 465}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 340 and name HB2 ))
4.000 1.800 1.800 peak 465 weight 0.10000E+01 volume 0.11478E-02 ppm1 9.710 ppm2 2.540 CV 1
ASSI { 464}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 351 and name HB1 ))
4.500 2.400 1.500 peak 464 weight 0.10000E+01 volume 0.47381E-03 ppm1 9.700 ppm2 3.220 CV 1
ASSI { 458}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 351 and name HE3 ))
3.000 1.700 1.700 peak 458 weight 0.10000E+01 volume 0.15696E-02 ppm1 9.710 ppm2 7.330 CV 1
ASSI { 463}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 340 and name HB1 ))
2.700 1.500 1.500 peak 463 weight 0.10000E+01 volume 0.24132E-02 ppm1 9.710 ppm2 3.450 CV 1
ASSI { 818}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 353 and name HA ))
3.200 1.700 1.700 peak 818 weight 0.10000E+01 volume 0.14323E-02 ppm1 9.710 ppm2 3.540 CV 1
ASSI { 454}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 340 and name HN ))
3.700 1.700 1.700 peak 454 weight 0.10000E+01 volume 0.15402E-02 ppm1 9.710 ppm2 8.350 CV 1
ASSI { 749}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 335 and name HN ))
4.300 2.500 1.700 peak 749 weight 0.10000E+01 volume 0.45518E-03 ppm1 9.710 ppm2 8.910 CV 1
ASSI { 469}
(( segid "SH3 " and resid 341 and name HN ))
( segid "SH3 " and resid 352 and name HG2%)
3.500 2.000 2.000 peak 469 weight 0.10000E+01 volume 0.85640E-03 ppm1 9.700 ppm2 0.580 CV 1
ASSI { 750}
(( segid "SH3 " and resid 341 and name HN ))
(( segid "SH3 " and resid 354 and name HA ))
3.700 2.100 2.100 peak 750 weight 0.10000E+01 volume 0.75632E-03 ppm1 9.710 ppm2 3.980 CV 1
ASSI { 952}
(( segid "SH3 " and resid 323 and name HN ))
( segid "SH3 " and resid 323 and name HG2%)
3.300 1.400 1.400 peak 952 weight 0.10000E+01 volume 0.25015E-02 ppm1 9.010 ppm2 0.850 CV 1
OR { 952}
(( segid "SH3 " and resid 323 and name HN ))
( segid "SH3 " and resid 323 and name HD1%)
ASSI { 216}
(( segid "SH3 " and resid 323 and name HN ))
(( segid "SH3 " and resid 322 and name HN ))
4.500 2.400 1.500 peak 216 weight 0.10000E+01 volume 0.48461E-03 ppm1 9.010 ppm2 8.160 CV 1
ASSI { 221}
(( segid "SH3 " and resid 323 and name HN ))
(( segid "SH3 " and resid 313 and name HB2 ))
3.300 2.000 2.000 peak 221 weight 0.10000E+01 volume 0.81027E-03 ppm1 9.010 ppm2 3.180 CV 1
ASSI { 219}
(( segid "SH3 " and resid 323 and name HN ))
(( segid "SH3 " and resid 314 and name HA ))
3.100 1.500 1.500 peak 219 weight 0.10000E+01 volume 0.23838E-02 ppm1 9.010 ppm2 4.030 CV 1
ASSI { 218}
(( segid "SH3 " and resid 323 and name HN ))
(( segid "SH3 " and resid 322 and name HA ))
1.900 0.900 0.900 peak 218 weight 0.10000E+01 volume 0.11772E-01 ppm1 9.010 ppm2 5.050 CV 1
ASSI { 220}
(( segid "SH3 " and resid 323 and name HN ))
(( segid "SH3 " and resid 313 and name HB1 ))
4.400 1.800 1.600 peak 220 weight 0.10000E+01 volume 0.13145E-02 ppm1 9.010 ppm2 3.030 CV 1
ASSI { 217}
(( segid "SH3 " and resid 323 and name HN ))
( segid "SH3 " and resid 313 and name HD% )
3.400 1.900 1.900 peak 217 weight 0.10000E+01 volume 0.97709E-03 ppm1 9.010 ppm2 7.380 CV 1
ASSI { 956}
(( segid "SH3 " and resid 305 and name HN ))
(( segid "SH3 " and resid 306 and name HN ))
2.800 1.700 1.700 peak 956 weight 0.10000E+01 volume 0.15892E-02 ppm1 8.510 ppm2 7.650 CV 1
ASSI { 23}
(( segid "SH3 " and resid 305 and name HN ))
(( segid "SH3 " and resid 304 and name HG2 ))
3.500 2.000 2.000 peak 23 weight 0.10000E+01 volume 0.84955E-03 ppm1 8.500 ppm2 1.980 CV 1
OR { 23}
(( segid "SH3 " and resid 305 and name HN ))
(( segid "SH3 " and resid 304 and name HG1 ))
ASSI { 897}
(( segid "SH3 " and resid 305 and name HN ))
(( segid "SH3 " and resid 305 and name HA ))
3.000 1.600 1.600 peak 897 weight 0.10000E+01 volume 0.16971E-02 ppm1 8.500 ppm2 4.910 CV 1
ASSI { 21}
(( segid "SH3 " and resid 305 and name HN ))
(( segid "SH3 " and resid 305 and name HB1 ))
4.300 2.200 1.700 peak 21 weight 0.10000E+01 volume 0.65924E-03 ppm1 8.500 ppm2 3.090 CV 1
ASSI { 20}
(( segid "SH3 " and resid 305 and name HN ))
(( segid "SH3 " and resid 304 and name HA ))
3.200 1.700 1.700 peak 20 weight 0.10000E+01 volume 0.14126E-02 ppm1 8.510 ppm2 4.490 CV 1
ASSI { 22}
(( segid "SH3 " and resid 305 and name HN ))
(( segid "SH3 " and resid 305 and name HB2 ))
3.200 2.000 2.000 peak 22 weight 0.10000E+01 volume 0.87995E-03 ppm1 8.510 ppm2 2.930 CV 1
ASSI { 215}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 344 and name HN ))
3.800 1.900 1.900 peak 215 weight 0.10000E+01 volume 0.96724E-03 ppm1 9.070 ppm2 8.750 CV 1
ASSI { 529}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 344 and name HB1 ))
4.000 1.900 1.900 peak 529 weight 0.10000E+01 volume 0.95942E-03 ppm1 9.070 ppm2 1.960 CV 1
ASSI { 519}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 347 and name HN ))
3.700 2.000 2.000 peak 519 weight 0.10000E+01 volume 0.93095E-03 ppm1 9.070 ppm2 8.240 CV 1
ASSI { 528}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 344 and name HB2 ))
4.100 1.800 1.800 peak 528 weight 0.10000E+01 volume 0.13047E-02 ppm1 9.070 ppm2 1.790 CV 1
ASSI { 523}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 345 and name HA ))
2.700 1.300 1.300 peak 523 weight 0.10000E+01 volume 0.31882E-02 ppm1 9.070 ppm2 4.930 CV 1
ASSI { 521}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 349 and name HA ))
3.500 1.600 1.600 peak 521 weight 0.10000E+01 volume 0.19031E-02 ppm1 9.070 ppm2 5.610 CV 1
ASSI { 522}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 344 and name HA ))
1.900 0.900 0.900 peak 522 weight 0.10000E+01 volume 0.12851E-01 ppm1 9.070 ppm2 5.190 CV 1
ASSI { 527}
(( segid "SH3 " and resid 345 and name HN ))
( segid "SH3 " and resid 345 and name HG2%)
2.700 1.400 1.400 peak 527 weight 0.10000E+01 volume 0.30411E-02 ppm1 9.070 ppm2 1.220 CV 1
ASSI { 530}
(( segid "SH3 " and resid 345 and name HN ))
(( segid "SH3 " and resid 344 and name HG2 ))
2.900 1.700 1.700 peak 530 weight 0.10000E+01 volume 0.15009E-02 ppm1 9.070 ppm2 2.240 CV 1
ASSI { 510}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 329 and name HA ))
4.400 2.100 1.600 peak 510 weight 0.10000E+01 volume 0.72983E-03 ppm1 8.800 ppm2 4.910 CV 1
ASSI { 512}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 344 and name HG2 ))
4.200 2.100 1.800 peak 512 weight 0.10000E+01 volume 0.71907E-03 ppm1 8.800 ppm2 2.210 CV 1
ASSI { 514}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 344 and name HB2 ))
2.900 1.400 1.400 peak 514 weight 0.10000E+01 volume 0.25407E-02 ppm1 8.800 ppm2 1.760 CV 1
ASSI { 827}
(( segid "SH3 " and resid 344 and name HN ))
( segid "SH3 " and resid 343 and name HB% )
2.500 1.200 1.200 peak 827 weight 0.10000E+01 volume 0.50030E-02 ppm1 8.800 ppm2 1.080 CV 1
ASSI { 513}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 344 and name HB1 ))
2.600 1.400 1.400 peak 513 weight 0.10000E+01 volume 0.26781E-02 ppm1 8.800 ppm2 1.960 CV 1
ASSI { 822}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 330 and name HB2 ))
3.000 1.600 1.600 peak 822 weight 0.10000E+01 volume 0.19228E-02 ppm1 8.800 ppm2 1.650 CV 1
OR { 822}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 330 and name HB1 ))
ASSI { 515}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 329 and name HB2 ))
3.400 1.700 1.700 peak 515 weight 0.10000E+01 volume 0.13537E-02 ppm1 8.790 ppm2 1.270 CV 1
ASSI { 826}
(( segid "SH3 " and resid 344 and name HN ))
( segid "SH3 " and resid 332 and name HD1%)
3.700 1.800 1.800 peak 826 weight 0.10000E+01 volume 0.13342E-02 ppm1 8.800 ppm2 0.620 CV 1
ASSI { 126}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 325 and name HD1 ))
4.700 2.300 1.300 peak 126 weight 0.10000E+01 volume 0.58661E-03 ppm1 8.200 ppm2 1.150 CV 1
OR { 126}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 325 and name HD2 ))
ASSI { 511}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 331 and name HA ))
3.600 1.800 1.800 peak 511 weight 0.10000E+01 volume 0.12556E-02 ppm1 8.800 ppm2 3.950 CV 1
ASSI { 116}
(( segid "SH3 " and resid 312 and name HN ))
( segid "SH3 " and resid 311 and name HD% )
4.000 1.800 1.800 peak 116 weight 0.10000E+01 volume 0.12655E-02 ppm1 8.190 ppm2 6.590 CV 1
ASSI { 112}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 325 and name HN ))
3.800 1.700 1.700 peak 112 weight 0.10000E+01 volume 0.14323E-02 ppm1 8.190 ppm2 8.920 CV 1
ASSI { 781}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 311 and name HB1 ))
2.300 1.200 1.200 peak 781 weight 0.10000E+01 volume 0.50226E-02 ppm1 8.190 ppm2 3.130 CV 1
ASSI { 780}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 325 and name HG2 ))
3.900 1.600 1.600 peak 780 weight 0.10000E+01 volume 0.17559E-02 ppm1 8.190 ppm2 1.530 CV 1
OR { 780}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 325 and name HG1 ))
ASSI { 118}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 312 and name HA ))
2.600 1.400 1.400 peak 118 weight 0.10000E+01 volume 0.29822E-02 ppm1 8.210 ppm2 4.900 CV 1
ASSI { 823}
(( segid "SH3 " and resid 344 and name HN ))
(( segid "SH3 " and resid 329 and name HB1 ))
3.200 1.900 1.900 peak 823 weight 0.10000E+01 volume 0.10889E-02 ppm1 8.790 ppm2 1.560 CV 1
ASSI { 121}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 312 and name HB1 ))
2.600 1.300 1.300 peak 121 weight 0.10000E+01 volume 0.36493E-02 ppm1 8.190 ppm2 2.720 CV 1
ASSI { 122}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 312 and name HB2 ))
2.700 1.200 1.200 peak 122 weight 0.10000E+01 volume 0.52286E-02 ppm1 8.190 ppm2 2.620 CV 1
ASSI { 123}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 311 and name HB2 ))
3.100 1.500 1.500 peak 123 weight 0.10000E+01 volume 0.23053E-02 ppm1 8.190 ppm2 2.200 CV 1
ASSI { 124}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 325 and name HB1 ))
2.800 1.700 1.700 peak 124 weight 0.10000E+01 volume 0.15696E-02 ppm1 8.190 ppm2 1.670 CV 1
OR { 124}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 325 and name HB2 ))
ASSI { 115}
(( segid "SH3 " and resid 312 and name HN ))
(( segid "SH3 " and resid 311 and name HN ))
4.000 2.000 2.000 peak 115 weight 0.10000E+01 volume 0.87797E-03 ppm1 8.190 ppm2 6.970 CV 1
ASSI { 44}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 360 and name HN ))
4.200 2.200 1.800 peak 44 weight 0.10000E+01 volume 0.63864E-03 ppm1 9.430 ppm2 7.970 CV 1
ASSI { 43}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 309 and name HN ))
4.300 2.500 1.700 peak 43 weight 0.10000E+01 volume 0.43065E-03 ppm1 9.430 ppm2 8.370 CV 1
ASSI { 959}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 308 and name HB ))
2.900 1.400 1.400 peak 959 weight 0.10000E+01 volume 0.27075E-02 ppm1 9.430 ppm2 1.710 CV 1
ASSI { 48}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 360 and name HA ))
4.200 2.400 1.800 peak 48 weight 0.10000E+01 volume 0.49540E-03 ppm1 9.440 ppm2 3.930 CV 1
ASSI { 47}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 307 and name HA ))
2.100 1.000 1.000 peak 47 weight 0.10000E+01 volume 0.81717E-02 ppm1 9.430 ppm2 5.220 CV 1
ASSI { 54}
(( segid "SH3 " and resid 308 and name HN ))
( segid "SH3 " and resid 308 and name HG1%)
2.400 1.100 1.100 peak 54 weight 0.10000E+01 volume 0.56895E-02 ppm1 9.430 ppm2 0.780 CV 1
ASSI { 45}
(( segid "SH3 " and resid 308 and name HN ))
( segid "SH3 " and resid 307 and name HD% )
4.000 2.000 2.000 peak 45 weight 0.10000E+01 volume 0.94663E-03 ppm1 9.440 ppm2 6.920 CV 1
ASSI { 46}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 357 and name HA ))
4.300 2.200 1.700 peak 46 weight 0.10000E+01 volume 0.60133E-03 ppm1 9.440 ppm2 5.430 CV 1
ASSI { 50}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 307 and name HB1 ))
2.400 1.200 1.200 peak 50 weight 0.10000E+01 volume 0.42281E-02 ppm1 9.440 ppm2 2.690 CV 1
OR { 50}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 49}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 359 and name HD1 ))
3.700 1.900 1.900 peak 49 weight 0.10000E+01 volume 0.11281E-02 ppm1 9.430 ppm2 3.730 CV 1
OR { 49}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 359 and name HD2 ))
ASSI { 55}
(( segid "SH3 " and resid 308 and name HN ))
( segid "SH3 " and resid 357 and name HG2%)
3.900 1.800 1.800 peak 55 weight 0.10000E+01 volume 0.11380E-02 ppm1 9.430 ppm2 0.630 CV 1
ASSI { 53}
(( segid "SH3 " and resid 308 and name HN ))
( segid "SH3 " and resid 358 and name HG2%)
3.500 1.600 1.600 peak 53 weight 0.10000E+01 volume 0.16677E-02 ppm1 9.430 ppm2 1.090 CV 1
ASSI { 344}
(( segid "SH3 " and resid 334 and name HN ))
( segid "SH3 " and resid 334 and name HE% )
4.900 2.300 1.100 peak 344 weight 0.10000E+01 volume 0.53267E-03 ppm1 8.730 ppm2 6.710 CV 1
ASSI { 348}
(( segid "SH3 " and resid 334 and name HN ))
(( segid "SH3 " and resid 334 and name HB2 ))
2.500 1.300 1.300 peak 348 weight 0.10000E+01 volume 0.39338E-02 ppm1 8.730 ppm2 2.960 CV 1
ASSI { 345}
(( segid "SH3 " and resid 334 and name HN ))
(( segid "SH3 " and resid 333 and name HA1 ))
2.900 1.100 1.100 peak 345 weight 0.10000E+01 volume 0.62488E-02 ppm1 8.730 ppm2 4.260 CV 1
ASSI { 347}
(( segid "SH3 " and resid 334 and name HN ))
(( segid "SH3 " and resid 334 and name HB1 ))
3.700 1.600 1.600 peak 347 weight 0.10000E+01 volume 0.20012E-02 ppm1 8.730 ppm2 3.280 CV 1
ASSI { 343}
(( segid "SH3 " and resid 334 and name HN ))
( segid "SH3 " and resid 334 and name HD% )
2.900 1.400 1.400 peak 343 weight 0.10000E+01 volume 0.31097E-02 ppm1 8.730 ppm2 7.090 CV 1
ASSI { 346}
(( segid "SH3 " and resid 334 and name HN ))
(( segid "SH3 " and resid 333 and name HA2 ))
2.200 1.100 1.100 peak 346 weight 0.10000E+01 volume 0.66513E-02 ppm1 8.730 ppm2 3.910 CV 1
ASSI { 349}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 309 and name HA ))
3.500 1.700 1.700 peak 349 weight 0.10000E+01 volume 0.14617E-02 ppm1 8.730 ppm2 4.710 CV 1
ASSI { 534}
(( segid "SH3 " and resid 347 and name HD22))
(( segid "SH3 " and resid 347 and name HN ))
4.800 2.400 1.200 peak 534 weight 0.10000E+01 volume 0.51894E-03 ppm1 6.910 ppm2 8.240 CV 1
ASSI { 634}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 342 and name HA ))
3.100 1.600 1.600 peak 634 weight 0.10000E+01 volume 0.17069E-02 ppm1 9.720 ppm2 3.430 CV 1
ASSI { 536}
(( segid "SH3 " and resid 347 and name HD21))
(( segid "SH3 " and resid 347 and name HN ))
4.200 2.300 1.800 peak 536 weight 0.10000E+01 volume 0.59448E-03 ppm1 8.040 ppm2 8.230 CV 1
ASSI { 350}
(( segid "SH3 " and resid 358 and name HN ))
( segid "SH3 " and resid 357 and name HD1%)
3.900 2.100 2.100 peak 350 weight 0.10000E+01 volume 0.75830E-03 ppm1 8.730 ppm2 0.230 CV 1
ASSI { 632}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 351 and name HE3 ))
3.200 1.800 1.800 peak 632 weight 0.10000E+01 volume 0.11968E-02 ppm1 9.720 ppm2 7.350 CV 1
ASSI { 633}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 340 and name HE3 ))
3.100 1.900 1.900 peak 633 weight 0.10000E+01 volume 0.98099E-03 ppm1 9.720 ppm2 7.430 CV 1
ASSI { 353}
(( segid "SH3 " and resid 358 and name HN ))
( segid "SH3 " and resid 307 and name HD% )
3.300 1.800 1.800 peak 353 weight 0.10000E+01 volume 0.13047E-02 ppm1 8.730 ppm2 6.940 CV 1
ASSI { 537}
(( segid "SH3 " and resid 347 and name HD21))
(( segid "SH3 " and resid 347 and name HB1 ))
3.000 1.700 1.700 peak 537 weight 0.10000E+01 volume 0.15794E-02 ppm1 8.020 ppm2 2.900 CV 1
ASSI { 630}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 351 and name HA ))
2.100 1.000 1.000 peak 630 weight 0.10000E+01 volume 0.72983E-02 ppm1 9.720 ppm2 5.450 CV 1
ASSI { 628}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 352 and name HA ))
2.800 1.800 1.800 peak 628 weight 0.10000E+01 volume 0.12753E-02 ppm1 9.720 ppm2 4.790 CV 1
ASSI { 624}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 352 and name HB ))
3.800 2.100 2.100 peak 624 weight 0.10000E+01 volume 0.76221E-03 ppm1 9.720 ppm2 1.700 CV 1
ASSI { 627}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 351 and name HB1 ))
3.400 1.700 1.700 peak 627 weight 0.10000E+01 volume 0.14126E-02 ppm1 9.720 ppm2 3.200 CV 1
ASSI { 626}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 351 and name HB2 ))
4.300 2.100 1.700 peak 626 weight 0.10000E+01 volume 0.72394E-03 ppm1 9.720 ppm2 2.850 CV 1
ASSI { 703}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 357 and name HN ))
4.200 2.200 1.800 peak 703 weight 0.10000E+01 volume 0.64254E-03 ppm1 8.730 ppm2 7.330 CV 1
ASSI { 539}
(( segid "SH3 " and resid 347 and name HD22))
(( segid "SH3 " and resid 347 and name HB2 ))
3.900 1.600 1.600 peak 539 weight 0.10000E+01 volume 0.16578E-02 ppm1 6.910 ppm2 2.620 CV 1
ASSI { 540}
(( segid "SH3 " and resid 347 and name HD21))
(( segid "SH3 " and resid 347 and name HB2 ))
2.800 1.400 1.400 peak 540 weight 0.10000E+01 volume 0.27075E-02 ppm1 8.020 ppm2 2.620 CV 1
ASSI { 696}
(( segid "SH3 " and resid 358 and name HN ))
( segid "SH3 " and resid 308 and name HG1%)
3.200 1.700 1.700 peak 696 weight 0.10000E+01 volume 0.16383E-02 ppm1 8.740 ppm2 0.770 CV 1
ASSI { 700}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 307 and name HB1 ))
3.100 1.700 1.700 peak 700 weight 0.10000E+01 volume 0.16285E-02 ppm1 8.730 ppm2 2.700 CV 1
OR { 700}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 702}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 357 and name HA ))
2.100 1.000 1.000 peak 702 weight 0.10000E+01 volume 0.76028E-02 ppm1 8.730 ppm2 5.430 CV 1
ASSI { 699}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 357 and name HB ))
2.400 1.200 1.200 peak 699 weight 0.10000E+01 volume 0.41495E-02 ppm1 8.730 ppm2 1.720 CV 1
ASSI { 695}
(( segid "SH3 " and resid 358 and name HN ))
( segid "SH3 " and resid 357 and name HG2%)
3.600 1.400 1.400 peak 695 weight 0.10000E+01 volume 0.27075E-02 ppm1 8.730 ppm2 0.640 CV 1
ASSI { 697}
(( segid "SH3 " and resid 358 and name HN ))
( segid "SH3 " and resid 358 and name HG2%)
2.400 1.100 1.100 peak 697 weight 0.10000E+01 volume 0.57976E-02 ppm1 8.730 ppm2 1.090 CV 1
ASSI { 701}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 358 and name HA ))
2.700 1.500 1.500 peak 701 weight 0.10000E+01 volume 0.24132E-02 ppm1 8.730 ppm2 5.260 CV 1
ASSI { 629}
(( segid "SH3 " and resid 352 and name HN ))
(( segid "SH3 " and resid 340 and name HA ))
4.600 2.200 1.400 peak 629 weight 0.10000E+01 volume 0.67396E-03 ppm1 9.720 ppm2 5.100 CV 1
ASSI { 694}
(( segid "SH3 " and resid 358 and name HN ))
(( segid "SH3 " and resid 308 and name HN ))
2.500 1.300 1.300 peak 694 weight 0.10000E+01 volume 0.39632E-02 ppm1 8.730 ppm2 -0.560 CV 1
ASSI { 885}
(( segid "SH3 " and resid 316 and name HN ))
( segid "SH3 " and resid 315 and name HB% )
3.500 2.000 2.000 peak 885 weight 0.10000E+01 volume 0.88091E-03 ppm1 7.990 ppm2 1.290 CV 1
ASSI { 884}
(( segid "SH3 " and resid 316 and name HN ))
(( segid "SH3 " and resid 315 and name HA ))
2.800 1.600 1.600 peak 884 weight 0.10000E+01 volume 0.19228E-02 ppm1 7.990 ppm2 3.780 CV 1
ASSI { 788}
(( segid "SH3 " and resid 319 and name HN ))
(( segid "SH3 " and resid 318 and name HB1 ))
3.200 2.600 2.600 peak 788 weight 0.10000E+01 volume 0.37376E-03 ppm1 8.620 ppm2 2.660 CV 1
ASSI { 177}
(( segid "SH3 " and resid 319 and name HN ))
(( segid "SH3 " and resid 319 and name HB2 ))
2.900 2.400 2.400 peak 177 weight 0.10000E+01 volume 0.46106E-03 ppm1 8.610 ppm2 3.010 CV 1
ASSI { 176}
(( segid "SH3 " and resid 319 and name HN ))
(( segid "SH3 " and resid 319 and name HB1 ))
4.100 2.300 1.900 peak 176 weight 0.10000E+01 volume 0.59250E-03 ppm1 8.600 ppm2 3.240 CV 1
ASSI { 175}
(( segid "SH3 " and resid 319 and name HN ))
(( segid "SH3 " and resid 318 and name HA ))
3.300 1.800 1.800 peak 175 weight 0.10000E+01 volume 0.12556E-02 ppm1 8.600 ppm2 4.450 CV 1
ASSI { 961}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 325 and name HB2 ))
3.100 1.700 1.700 peak 961 weight 0.10000E+01 volume 0.15990E-02 ppm1 8.950 ppm2 1.660 CV 1
OR { 961}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 325 and name HB1 ))
ASSI { 256}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 325 and name HA ))
2.000 0.900 0.900 peak 256 weight 0.10000E+01 volume 0.11674E-01 ppm1 8.950 ppm2 3.280 CV 1
ASSI { 255}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 326 and name HA2 ))
2.300 1.100 1.100 peak 255 weight 0.10000E+01 volume 0.59352E-02 ppm1 8.950 ppm2 3.440 CV 1
ASSI { 251}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 309 and name HN ))
3.500 2.000 2.000 peak 251 weight 0.10000E+01 volume 0.87604E-03 ppm1 8.940 ppm2 8.360 CV 1
ASSI { 962}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 325 and name HD2 ))
3.400 1.500 1.500 peak 962 weight 0.10000E+01 volume 0.23249E-02 ppm1 8.950 ppm2 1.140 CV 1
OR { 962}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 325 and name HD1 ))
ASSI { 260}
(( segid "SH3 " and resid 326 and name HN ))
( segid "SH3 " and resid 308 and name HG2%)
3.400 1.600 1.600 peak 260 weight 0.10000E+01 volume 0.16480E-02 ppm1 8.950 ppm2 0.800 CV 1
ASSI { 254}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 310 and name HA ))
3.500 2.200 2.200 peak 254 weight 0.10000E+01 volume 0.61214E-03 ppm1 8.940 ppm2 3.900 CV 1
ASSI { 660}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 353 and name HA ))
4.300 2.200 1.700 peak 660 weight 0.10000E+01 volume 0.60626E-03 ppm1 8.380 ppm2 3.540 CV 1
ASSI { 963}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 353 and name HB2 ))
3.200 1.900 1.900 peak 963 weight 0.10000E+01 volume 0.10594E-02 ppm1 8.370 ppm2 1.320 CV 1
OR { 963}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 353 and name HB1 ))
ASSI { 647}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 355 and name HA ))
2.700 1.300 1.300 peak 647 weight 0.10000E+01 volume 0.32373E-02 ppm1 8.380 ppm2 4.850 CV 1
ASSI { 835}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 354 and name HB2 ))
3.600 1.900 1.900 peak 835 weight 0.10000E+01 volume 0.10594E-02 ppm1 8.370 ppm2 3.820 CV 1
OR { 835}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 354 and name HB1 ))
ASSI { 650}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 355 and name HB1 ))
3.200 1.500 1.500 peak 650 weight 0.10000E+01 volume 0.21190E-02 ppm1 8.380 ppm2 3.080 CV 1
ASSI { 837}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 354 and name HA ))
3.300 1.800 1.800 peak 837 weight 0.10000E+01 volume 0.11968E-02 ppm1 8.370 ppm2 4.000 CV 1
ASSI { 657}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 357 and name HN ))
3.900 2.300 2.100 peak 657 weight 0.10000E+01 volume 0.53758E-03 ppm1 8.370 ppm2 7.350 CV 1
ASSI { 651}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 355 and name HB2 ))
2.800 1.500 1.500 peak 651 weight 0.10000E+01 volume 0.22661E-02 ppm1 8.370 ppm2 2.790 CV 1
ASSI { 966}
(( segid "SH3 " and resid 355 and name HN ))
( segid "SH3 " and resid 356 and name HD% )
4.200 2.200 1.800 peak 966 weight 0.10000E+01 volume 0.63864E-03 ppm1 8.380 ppm2 7.020 CV 1
ASSI { 840}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 355 and name HD22))
4.600 2.600 1.400 peak 840 weight 0.10000E+01 volume 0.36787E-03 ppm1 8.380 ppm2 6.640 CV 1
ASSI { 365}
(( segid "SH3 " and resid 335 and name HD21))
(( segid "SH3 " and resid 339 and name HB2 ))
3.300 2.300 2.300 peak 365 weight 0.10000E+01 volume 0.54739E-03 ppm1 7.830 ppm2 2.150 CV 1
ASSI { 355}
(( segid "SH3 " and resid 335 and name HD22))
(( segid "SH3 " and resid 335 and name HB1 ))
3.900 1.800 1.800 peak 355 weight 0.10000E+01 volume 0.12361E-02 ppm1 7.060 ppm2 3.290 CV 1
ASSI { 356}
(( segid "SH3 " and resid 335 and name HD22))
(( segid "SH3 " and resid 340 and name HB2 ))
3.300 1.700 1.700 peak 356 weight 0.10000E+01 volume 0.13930E-02 ppm1 7.060 ppm2 2.550 CV 1
ASSI { 358}
(( segid "SH3 " and resid 335 and name HD22))
(( segid "SH3 " and resid 339 and name HG1 ))
4.600 2.200 1.400 peak 358 weight 0.10000E+01 volume 0.66020E-03 ppm1 7.060 ppm2 2.000 CV 1
OR { 358}
(( segid "SH3 " and resid 335 and name HD22))
(( segid "SH3 " and resid 339 and name HG2 ))
ASSI { 364}
(( segid "SH3 " and resid 335 and name HD21))
(( segid "SH3 " and resid 340 and name HB2 ))
2.800 1.600 1.600 peak 364 weight 0.10000E+01 volume 0.16677E-02 ppm1 7.840 ppm2 2.560 CV 1
ASSI { 357}
(( segid "SH3 " and resid 335 and name HD22))
(( segid "SH3 " and resid 339 and name HB2 ))
3.700 1.800 1.800 peak 357 weight 0.10000E+01 volume 0.12262E-02 ppm1 7.050 ppm2 2.150 CV 1
ASSI { 839}
(( segid "SH3 " and resid 355 and name HN ))
(( segid "SH3 " and resid 355 and name HD21))
3.700 2.600 2.300 peak 839 weight 0.10000E+01 volume 0.39730E-03 ppm1 8.380 ppm2 7.520 CV 1
ASSI { 363}
(( segid "SH3 " and resid 335 and name HD21))
(( segid "SH3 " and resid 335 and name HB1 ))
2.600 1.600 1.600 peak 363 weight 0.10000E+01 volume 0.17854E-02 ppm1 7.840 ppm2 3.300 CV 1
ASSI { 362}
(( segid "SH3 " and resid 335 and name HD21))
(( segid "SH3 " and resid 339 and name HN ))
3.700 2.300 2.300 peak 362 weight 0.10000E+01 volume 0.57093E-03 ppm1 7.850 ppm2 8.400 CV 1
ASSI { 882}
(( segid "SH3 " and resid 347 and name HN ))
( segid "SH3 " and resid 345 and name HG2%)
4.200 2.000 1.800 peak 882 weight 0.10000E+01 volume 0.81615E-03 ppm1 8.230 ppm2 1.220 CV 1
ASSI { 546}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 347 and name HA ))
2.900 1.400 1.400 peak 546 weight 0.10000E+01 volume 0.29037E-02 ppm1 8.230 ppm2 4.890 CV 1
ASSI { 545}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 348 and name HN ))
2.500 1.200 1.200 peak 545 weight 0.10000E+01 volume 0.44537E-02 ppm1 8.230 ppm2 7.490 CV 1
ASSI { 550}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 347 and name HB1 ))
3.700 1.600 1.600 peak 550 weight 0.10000E+01 volume 0.16677E-02 ppm1 8.230 ppm2 2.900 CV 1
ASSI { 552}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 346 and name HB2 ))
3.400 1.900 1.900 peak 552 weight 0.10000E+01 volume 0.10300E-02 ppm1 8.230 ppm2 1.890 CV 1
OR { 552}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 346 and name HB1 ))
ASSI { 553}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 346 and name HG2 ))
3.700 2.200 2.200 peak 553 weight 0.10000E+01 volume 0.68766E-03 ppm1 8.230 ppm2 1.500 CV 1
OR { 553}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 346 and name HG1 ))
ASSI { 879}
(( segid "SH3 " and resid 347 and name HN ))
( segid "SH3 " and resid 321 and name HD1%)
4.300 2.200 1.700 peak 879 weight 0.10000E+01 volume 0.62879E-03 ppm1 8.230 ppm2 0.650 CV 1
ASSI { 551}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 347 and name HB2 ))
2.600 1.400 1.400 peak 551 weight 0.10000E+01 volume 0.29233E-02 ppm1 8.230 ppm2 2.620 CV 1
ASSI { 881}
(( segid "SH3 " and resid 347 and name HN ))
(( segid "SH3 " and resid 346 and name HA ))
3.300 1.800 1.800 peak 881 weight 0.10000E+01 volume 0.12066E-02 ppm1 8.220 ppm2 4.220 CV 1
ASSI { 810}
(( segid "SH3 " and resid 337 and name HN ))
(( segid "SH3 " and resid 336 and name HA ))
4.000 2.500 2.000 peak 810 weight 0.10000E+01 volume 0.42967E-03 ppm1 6.570 ppm2 4.330 CV 1
ASSI { 743}
(( segid "SH3 " and resid 337 and name HN ))
(( segid "SH3 " and resid 337 and name HB2 ))
3.300 2.300 2.300 peak 743 weight 0.10000E+01 volume 0.58956E-03 ppm1 6.560 ppm2 2.480 CV 1
ASSI { 384}
(( segid "SH3 " and resid 337 and name HN ))
(( segid "SH3 " and resid 338 and name HN ))
2.700 1.500 1.500 peak 384 weight 0.10000E+01 volume 0.21287E-02 ppm1 6.550 ppm2 7.620 CV 1
ASSI { 744}
(( segid "SH3 " and resid 337 and name HN ))
(( segid "SH3 " and resid 336 and name HB1 ))
3.700 2.100 2.100 peak 744 weight 0.10000E+01 volume 0.70339E-03 ppm1 6.570 ppm2 3.180 CV 1
OR { 744}
(( segid "SH3 " and resid 337 and name HN ))
(( segid "SH3 " and resid 336 and name HB2 ))
ASSI { 577}
(( segid "SH3 " and resid 349 and name HE22))
(( segid "SH3 " and resid 349 and name HG1 ))
4.500 2.300 1.500 peak 577 weight 0.10000E+01 volume 0.56014E-03 ppm1 6.530 ppm2 1.810 CV 1
OR { 577}
(( segid "SH3 " and resid 349 and name HE22))
(( segid "SH3 " and resid 349 and name HG2 ))
ASSI { 578}
(( segid "SH3 " and resid 349 and name HE22))
(( segid "SH3 " and resid 349 and name HB1 ))
3.400 1.300 1.300 peak 578 weight 0.10000E+01 volume 0.38847E-02 ppm1 6.530 ppm2 2.110 CV 1
OR { 578}
(( segid "SH3 " and resid 349 and name HE22))
(( segid "SH3 " and resid 349 and name HB2 ))
ASSI { 579}
(( segid "SH3 " and resid 349 and name HE21))
(( segid "SH3 " and resid 349 and name HB1 ))
2.300 1.100 1.100 peak 579 weight 0.10000E+01 volume 0.65726E-02 ppm1 7.480 ppm2 2.110 CV 1
OR { 579}
(( segid "SH3 " and resid 349 and name HE21))
(( segid "SH3 " and resid 349 and name HB2 ))
ASSI { 970}
(( segid "SH3 " and resid 349 and name HE21))
( segid "SH3 " and resid 332 and name HD2%)
3.100 1.500 1.500 peak 970 weight 0.10000E+01 volume 0.20699E-02 ppm1 7.480 ppm2 0.530 CV 1
ASSI { 576}
(( segid "SH3 " and resid 349 and name HE21))
(( segid "SH3 " and resid 349 and name HG1 ))
3.500 2.000 2.000 peak 576 weight 0.10000E+01 volume 0.81225E-03 ppm1 7.480 ppm2 1.810 CV 1
OR { 576}
(( segid "SH3 " and resid 349 and name HE21))
(( segid "SH3 " and resid 349 and name HG2 ))
ASSI { 886}
(( segid "SH3 " and resid 305 and name HD22))
(( segid "SH3 " and resid 304 and name HG2 ))
3.900 2.600 2.100 peak 886 weight 0.10000E+01 volume 0.35904E-03 ppm1 7.000 ppm2 1.990 CV 1
ASSI { 888}
(( segid "SH3 " and resid 305 and name HD21))
(( segid "SH3 " and resid 305 and name HB2 ))
2.800 1.700 1.700 peak 888 weight 0.10000E+01 volume 0.15794E-02 ppm1 7.640 ppm2 2.920 CV 1
ASSI { 889}
(( segid "SH3 " and resid 305 and name HD21))
(( segid "SH3 " and resid 305 and name HB1 ))
3.700 1.900 1.900 peak 889 weight 0.10000E+01 volume 0.96922E-03 ppm1 7.640 ppm2 3.080 CV 1
ASSI { 974}
(( segid "SH3 " and resid 319 and name HD21))
(( segid "SH3 " and resid 318 and name HB1 ))
4.000 2.100 2.000 peak 974 weight 0.10000E+01 volume 0.76617E-03 ppm1 7.550 ppm2 2.700 CV 1
ASSI { 169}
(( segid "SH3 " and resid 319 and name HD21))
(( segid "SH3 " and resid 319 and name HB1 ))
3.400 1.900 1.900 peak 169 weight 0.10000E+01 volume 0.99078E-03 ppm1 7.560 ppm2 3.240 CV 1
ASSI { 103}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 325 and name HB2 ))
4.100 2.300 1.900 peak 103 weight 0.10000E+01 volume 0.54641E-03 ppm1 6.960 ppm2 1.680 CV 1
OR { 103}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 325 and name HB1 ))
ASSI { 603}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 342 and name HA ))
3.900 2.300 2.100 peak 603 weight 0.10000E+01 volume 0.58367E-03 ppm1 8.700 ppm2 3.430 CV 1
ASSI { 831}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 350 and name HA2 ))
2.800 1.400 1.400 peak 831 weight 0.10000E+01 volume 0.26781E-02 ppm1 8.700 ppm2 4.020 CV 1
ASSI { 601}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 349 and name HG1 ))
3.900 1.800 1.800 peak 601 weight 0.10000E+01 volume 0.12164E-02 ppm1 8.700 ppm2 1.800 CV 1
OR { 601}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 349 and name HG2 ))
ASSI { 606}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 344 and name HA ))
3.600 1.600 1.600 peak 606 weight 0.10000E+01 volume 0.16775E-02 ppm1 8.700 ppm2 5.190 CV 1
ASSI { 608}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 349 and name HA ))
2.100 1.000 1.000 peak 608 weight 0.10000E+01 volume 0.91233E-02 ppm1 8.700 ppm2 5.600 CV 1
ASSI { 598}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 342 and name HG1 ))
3.300 1.900 1.900 peak 598 weight 0.10000E+01 volume 0.11183E-02 ppm1 8.700 ppm2 1.080 CV 1
ASSI { 602}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 349 and name HB2 ))
2.600 1.200 1.200 peak 602 weight 0.10000E+01 volume 0.40907E-02 ppm1 8.700 ppm2 2.100 CV 1
OR { 602}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 349 and name HB1 ))
ASSI { 832}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 350 and name HA1 ))
2.600 1.400 1.400 peak 832 weight 0.10000E+01 volume 0.28841E-02 ppm1 8.700 ppm2 4.130 CV 1
ASSI { 599}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 342 and name HB1 ))
4.100 2.100 1.900 peak 599 weight 0.10000E+01 volume 0.76515E-03 ppm1 8.700 ppm2 1.280 CV 1
ASSI { 686}
(( segid "SH3 " and resid 357 and name HN ))
(( segid "SH3 " and resid 356 and name HB1 ))
4.000 2.300 2.000 peak 686 weight 0.10000E+01 volume 0.53267E-03 ppm1 7.350 ppm2 3.350 CV 1
ASSI { 105}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 325 and name HD2 ))
4.100 1.900 1.900 peak 105 weight 0.10000E+01 volume 0.11085E-02 ppm1 6.960 ppm2 1.120 CV 1
OR { 105}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 325 and name HD1 ))
ASSI { 109}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 310 and name HB2 ))
3.000 1.800 1.800 peak 109 weight 0.10000E+01 volume 0.12459E-02 ppm1 6.960 ppm2 0.490 CV 1
ASSI { 845}
(( segid "SH3 " and resid 311 and name HN ))
( segid "SH3 " and resid 323 and name HD1%)
3.400 1.800 1.800 peak 845 weight 0.10000E+01 volume 0.12949E-02 ppm1 6.960 ppm2 0.850 CV 1
ASSI { 104}
(( segid "SH3 " and resid 311 and name HN ))
( segid "SH3 " and resid 309 and name HB% )
2.900 1.300 1.300 peak 104 weight 0.10000E+01 volume 0.33059E-02 ppm1 6.960 ppm2 1.550 CV 1
ASSI { 96}
(( segid "SH3 " and resid 311 and name HN ))
( segid "SH3 " and resid 311 and name HD% )
2.800 1.500 1.500 peak 96 weight 0.10000E+01 volume 0.22661E-02 ppm1 6.960 ppm2 6.600 CV 1
ASSI { 99}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 310 and name HA ))
3.200 1.600 1.600 peak 99 weight 0.10000E+01 volume 0.16971E-02 ppm1 6.960 ppm2 3.900 CV 1
ASSI { 980}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 311 and name HB2 ))
2.600 1.500 1.500 peak 980 weight 0.10000E+01 volume 0.23347E-02 ppm1 6.960 ppm2 2.190 CV 1
ASSI { 100}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 325 and name HA ))
3.100 1.700 1.700 peak 100 weight 0.10000E+01 volume 0.14617E-02 ppm1 6.960 ppm2 3.290 CV 1
ASSI { 106}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 310 and name HB1 ))
3.300 1.500 1.500 peak 106 weight 0.10000E+01 volume 0.20110E-02 ppm1 6.960 ppm2 0.950 CV 1
ASSI { 101}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 311 and name HB1 ))
3.600 1.600 1.600 peak 101 weight 0.10000E+01 volume 0.16480E-02 ppm1 6.960 ppm2 3.130 CV 1
ASSI { 108}
(( segid "SH3 " and resid 311 and name HN ))
( segid "SH3 " and resid 310 and name HD2%)
3.800 1.700 1.700 peak 108 weight 0.10000E+01 volume 0.15696E-02 ppm1 6.960 ppm2 0.650 CV 1
ASSI { 98}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 357 and name HA ))
4.700 2.300 1.300 peak 98 weight 0.10000E+01 volume 0.59154E-03 ppm1 6.960 ppm2 5.430 CV 1
ASSI { 679}
(( segid "SH3 " and resid 357 and name HN ))
( segid "SH3 " and resid 357 and name HD1%)
4.100 1.600 1.600 peak 679 weight 0.10000E+01 volume 0.18639E-02 ppm1 7.340 ppm2 0.230 CV 1
ASSI { 600}
(( segid "SH3 " and resid 350 and name HN ))
(( segid "SH3 " and resid 321 and name HB1 ))
4.700 2.200 1.300 peak 600 weight 0.10000E+01 volume 0.62290E-03 ppm1 8.700 ppm2 1.560 CV 1
ASSI { 851}
(( segid "SH3 " and resid 357 and name HN ))
(( segid "SH3 " and resid 357 and name HA ))
2.600 1.400 1.400 peak 851 weight 0.10000E+01 volume 0.27762E-02 ppm1 7.350 ppm2 5.430 CV 1
ASSI { 680}
(( segid "SH3 " and resid 357 and name HN ))
( segid "SH3 " and resid 357 and name HG2%)
2.700 1.300 1.300 peak 680 weight 0.10000E+01 volume 0.40417E-02 ppm1 7.350 ppm2 0.630 CV 1
ASSI { 687}
(( segid "SH3 " and resid 357 and name HN ))
(( segid "SH3 " and resid 355 and name HA ))
3.200 1.700 1.700 peak 687 weight 0.10000E+01 volume 0.14617E-02 ppm1 7.340 ppm2 4.840 CV 1
ASSI { 684}
(( segid "SH3 " and resid 357 and name HN ))
(( segid "SH3 " and resid 357 and name HB ))
3.600 1.700 1.700 peak 684 weight 0.10000E+01 volume 0.13636E-02 ppm1 7.340 ppm2 1.730 CV 1
ASSI { 685}
(( segid "SH3 " and resid 357 and name HN ))
(( segid "SH3 " and resid 356 and name HB2 ))
3.300 2.100 2.100 peak 685 weight 0.10000E+01 volume 0.77500E-03 ppm1 7.350 ppm2 3.180 CV 1
ASSI { 688}
(( segid "SH3 " and resid 357 and name HN ))
( segid "SH3 " and resid 356 and name HD% )
4.100 1.900 1.900 peak 688 weight 0.10000E+01 volume 0.10987E-02 ppm1 7.350 ppm2 7.020 CV 1
ASSI { 779}
(( segid "SH3 " and resid 311 and name HN ))
(( segid "SH3 " and resid 310 and name HN ))
2.200 1.100 1.100 peak 779 weight 0.10000E+01 volume 0.68573E-02 ppm1 6.960 ppm2 -0.510 CV 1
ASSI { 644}
(( segid "SH3 " and resid 355 and name HD22))
(( segid "SH3 " and resid 355 and name HB2 ))
4.100 1.900 1.900 peak 644 weight 0.10000E+01 volume 0.97607E-03 ppm1 6.660 ppm2 2.780 CV 1
ASSI { 643}
(( segid "SH3 " and resid 355 and name HD21))
(( segid "SH3 " and resid 355 and name HB2 ))
3.200 1.800 1.800 peak 643 weight 0.10000E+01 volume 0.13145E-02 ppm1 7.490 ppm2 2.790 CV 1
ASSI { 645}
(( segid "SH3 " and resid 355 and name HD22))
(( segid "SH3 " and resid 355 and name HB1 ))
3.900 1.700 1.700 peak 645 weight 0.10000E+01 volume 0.13537E-02 ppm1 6.660 ppm2 3.080 CV 1
ASSI { 646}
(( segid "SH3 " and resid 355 and name HD21))
(( segid "SH3 " and resid 355 and name HB1 ))
3.000 1.700 1.700 peak 646 weight 0.10000E+01 volume 0.15205E-02 ppm1 7.490 ppm2 3.080 CV 1
ASSI { 181}
(( segid "SH3 " and resid 320 and name HN ))
(( segid "SH3 " and resid 319 and name HB1 ))
3.600 2.200 2.200 peak 181 weight 0.10000E+01 volume 0.62782E-03 ppm1 7.730 ppm2 3.240 CV 1
ASSI { 182}
(( segid "SH3 " and resid 320 and name HN ))
(( segid "SH3 " and resid 320 and name HB ))
3.300 2.000 2.000 peak 182 weight 0.10000E+01 volume 0.90248E-03 ppm1 7.740 ppm2 4.610 CV 1
ASSI { 178}
(( segid "SH3 " and resid 320 and name HN ))
( segid "SH3 " and resid 320 and name HG2%)
3.100 1.300 1.300 peak 178 weight 0.10000E+01 volume 0.32373E-02 ppm1 7.730 ppm2 1.280 CV 1
ASSI { 184}
(( segid "SH3 " and resid 320 and name HN ))
(( segid "SH3 " and resid 320 and name HA ))
2.700 1.600 1.600 peak 184 weight 0.10000E+01 volume 0.16480E-02 ppm1 7.730 ppm2 5.150 CV 1
ASSI { 186}
(( segid "SH3 " and resid 320 and name HN ))
(( segid "SH3 " and resid 319 and name HN ))
3.000 2.100 2.100 peak 186 weight 0.10000E+01 volume 0.77794E-03 ppm1 7.730 ppm2 8.600 CV 1
ASSI { 185}
(( segid "SH3 " and resid 320 and name HN ))
(( segid "SH3 " and resid 321 and name HN ))
4.200 2.300 1.800 peak 185 weight 0.10000E+01 volume 0.59941E-03 ppm1 7.730 ppm2 8.230 CV 1
ASSI { 180}
(( segid "SH3 " and resid 320 and name HN ))
(( segid "SH3 " and resid 319 and name HB2 ))
3.900 2.500 2.100 peak 180 weight 0.10000E+01 volume 0.43850E-03 ppm1 7.740 ppm2 2.990 CV 1
ASSI { 567}
(( segid "SH3 " and resid 348 and name HN ))
(( segid "SH3 " and resid 344 and name HA ))
4.500 2.300 1.500 peak 567 weight 0.10000E+01 volume 0.58271E-03 ppm1 7.480 ppm2 5.190 CV 1
ASSI { 829}
(( segid "SH3 " and resid 348 and name HN ))
( segid "SH3 " and resid 321 and name HD1%)
3.400 1.700 1.700 peak 829 weight 0.10000E+01 volume 0.14518E-02 ppm1 7.490 ppm2 0.580 CV 1
ASSI { 563}
(( segid "SH3 " and resid 348 and name HN ))
(( segid "SH3 " and resid 347 and name HB1 ))
3.800 2.100 2.100 peak 563 weight 0.10000E+01 volume 0.75632E-03 ppm1 7.480 ppm2 2.910 CV 1
ASSI { 562}
(( segid "SH3 " and resid 348 and name HN ))
(( segid "SH3 " and resid 347 and name HB2 ))
3.600 2.000 2.000 peak 562 weight 0.10000E+01 volume 0.95059E-03 ppm1 7.480 ppm2 2.620 CV 1
ASSI { 566}
(( segid "SH3 " and resid 348 and name HN ))
(( segid "SH3 " and resid 347 and name HA ))
3.300 1.600 1.600 peak 566 weight 0.10000E+01 volume 0.17756E-02 ppm1 7.480 ppm2 4.880 CV 1
ASSI { 565}
(( segid "SH3 " and resid 348 and name HN ))
(( segid "SH3 " and resid 348 and name HA1 ))
2.800 1.300 1.300 peak 565 weight 0.10000E+01 volume 0.38945E-02 ppm1 7.480 ppm2 4.290 CV 1
ASSI { 564}
(( segid "SH3 " and resid 348 and name HN ))
(( segid "SH3 " and resid 348 and name HA2 ))
2.500 1.200 1.200 peak 564 weight 0.10000E+01 volume 0.51698E-02 ppm1 7.480 ppm2 3.910 CV 1
ASSI { 560}
(( segid "SH3 " and resid 348 and name HN ))
( segid "SH3 " and resid 345 and name HG2%)
4.300 2.300 1.700 peak 560 weight 0.10000E+01 volume 0.59646E-03 ppm1 7.490 ppm2 1.220 CV 1
ASSI { 557}
(( segid "SH3 " and resid 348 and name HN ))
(( segid "SH3 " and resid 345 and name HN ))
2.700 1.400 1.400 peak 557 weight 0.10000E+01 volume 0.28154E-02 ppm1 7.480 ppm2 -0.930 CV 1
ASSI { 399}
(( segid "SH3 " and resid 338 and name HN ))
(( segid "SH3 " and resid 337 and name HB2 ))
4.100 2.300 1.900 peak 399 weight 0.10000E+01 volume 0.53169E-03 ppm1 7.630 ppm2 2.460 CV 1
ASSI { 389}
(( segid "SH3 " and resid 338 and name HN ))
(( segid "SH3 " and resid 339 and name HN ))
2.400 1.300 1.300 peak 389 weight 0.10000E+01 volume 0.34727E-02 ppm1 7.630 ppm2 8.400 CV 1
ASSI { 395}
(( segid "SH3 " and resid 338 and name HN ))
(( segid "SH3 " and resid 338 and name HA1 ))
2.900 1.300 1.300 peak 395 weight 0.10000E+01 volume 0.40319E-02 ppm1 7.630 ppm2 4.200 CV 1
ASSI { 390}
(( segid "SH3 " and resid 338 and name HN ))
(( segid "SH3 " and resid 335 and name HD21))
4.000 2.000 2.000 peak 390 weight 0.10000E+01 volume 0.86427E-03 ppm1 7.630 ppm2 7.840 CV 1
ASSI { 396}
(( segid "SH3 " and resid 338 and name HN ))
(( segid "SH3 " and resid 338 and name HA2 ))
2.200 1.100 1.100 peak 396 weight 0.10000E+01 volume 0.59154E-02 ppm1 7.630 ppm2 3.700 CV 1
ASSI { 397}
(( segid "SH3 " and resid 338 and name HN ))
(( segid "SH3 " and resid 337 and name HB1 ))
3.600 1.900 1.900 peak 397 weight 0.10000E+01 volume 0.10987E-02 ppm1 7.630 ppm2 3.270 CV 1
ASSI { 391}
(( segid "SH3 " and resid 338 and name HN ))
(( segid "SH3 " and resid 335 and name HD22))
5.000 2.200 1.000 peak 391 weight 0.10000E+01 volume 0.67396E-03 ppm1 7.630 ppm2 7.070 CV 1
ASSI { 1319}
(( segid "SH3 " and resid 327 and name HG1 ))
(( segid "SH3 " and resid 327 and name HN ))
4.500 2.100 1.500 peak 1319 weight 0.10000E+01 volume 0.79657E-03 ppm1 2.330 ppm2 8.500 CV 1
ASSI { 1317}
(( segid "SH3 " and resid 327 and name HG1 ))
(( segid "SH3 " and resid 327 and name HA ))
3.300 2.000 2.000 peak 1317 weight 0.10000E+01 volume 0.82793E-03 ppm1 2.330 ppm2 4.290 CV 1
ASSI { 1484}
(( segid "SH3 " and resid 353 and name HB2 ))
(( segid "SH3 " and resid 353 and name HG2 ))
2.500 1.700 1.700 peak 1484 weight 0.10000E+01 volume 0.16186E-02 ppm1 1.340 ppm2 0.240 CV 1
OR { 1484}
(( segid "SH3 " and resid 353 and name HB1 ))
(( segid "SH3 " and resid 353 and name HG2 ))
ASSI { 1645}
(( segid "SH3 " and resid 353 and name HB2 ))
(( segid "SH3 " and resid 356 and name HB2 ))
2.800 2.400 2.400 peak 1645 weight 0.10000E+01 volume 0.48068E-03 ppm1 1.320 ppm2 3.190 CV 1
OR { 1645}
(( segid "SH3 " and resid 353 and name HB1 ))
(( segid "SH3 " and resid 356 and name HB2 ))
ASSI { 1480}
(( segid "SH3 " and resid 353 and name HB1 ))
(( segid "SH3 " and resid 354 and name HN ))
3.200 2.000 2.000 peak 1480 weight 0.10000E+01 volume 0.89370E-03 ppm1 1.340 ppm2 8.370 CV 1
OR { 1480}
(( segid "SH3 " and resid 353 and name HB2 ))
(( segid "SH3 " and resid 354 and name HN ))
ASSI { 1482}
(( segid "SH3 " and resid 353 and name HB2 ))
(( segid "SH3 " and resid 353 and name HD2 ))
3.200 2.000 2.000 peak 1482 weight 0.10000E+01 volume 0.88487E-03 ppm1 1.340 ppm2 1.980 CV 1
OR { 1482}
(( segid "SH3 " and resid 353 and name HB1 ))
(( segid "SH3 " and resid 353 and name HD2 ))
ASSI { 1479}
(( segid "SH3 " and resid 353 and name HB2 ))
( segid "SH3 " and resid 356 and name HD% )
2.700 1.900 1.900 peak 1479 weight 0.10000E+01 volume 0.97312E-03 ppm1 1.330 ppm2 7.020 CV 1
OR { 1479}
(( segid "SH3 " and resid 353 and name HB1 ))
( segid "SH3 " and resid 356 and name HD% )
ASSI { 794}
(( segid "SH3 " and resid 340 and name HD1 ))
(( segid "SH3 " and resid 340 and name HZ2 ))
4.700 2.700 1.300 peak 794 weight 0.10000E+01 volume 0.31686E-03 ppm1 7.090 ppm2 7.450 CV 1
ASSI { 795}
(( segid "SH3 " and resid 340 and name HD1 ))
(( segid "SH3 " and resid 340 and name HB2 ))
3.000 2.100 2.100 peak 795 weight 0.10000E+01 volume 0.75632E-03 ppm1 7.100 ppm2 2.540 CV 1
ASSI { 654}
(( segid "SH3 " and resid 332 and name HA ))
( segid "SH3 " and resid 332 and name HD1%)
2.900 1.100 1.100 peak 654 weight 0.10000E+01 volume 0.68279E-02 ppm1 4.250 ppm2 0.580 CV 1
ASSI { 653}
(( segid "SH3 " and resid 332 and name HA ))
(( segid "SH3 " and resid 332 and name HB1 ))
2.400 1.200 1.200 peak 653 weight 0.10000E+01 volume 0.46400E-02 ppm1 4.250 ppm2 1.380 CV 1
ASSI { 651}
(( segid "SH3 " and resid 332 and name HA ))
(( segid "SH3 " and resid 333 and name HN ))
3.200 1.800 1.800 peak 651 weight 0.10000E+01 volume 0.11674E-02 ppm1 4.260 ppm2 6.990 CV 1
ASSI { 652}
(( segid "SH3 " and resid 332 and name HA ))
(( segid "SH3 " and resid 333 and name HA2 ))
3.700 2.200 2.200 peak 652 weight 0.10000E+01 volume 0.66020E-03 ppm1 4.260 ppm2 3.940 CV 1
ASSI { 41}
(( segid "SH3 " and resid 306 and name HA ))
(( segid "SH3 " and resid 307 and name HA ))
3.400 1.600 1.600 peak 41 weight 0.10000E+01 volume 0.18639E-02 ppm1 4.980 ppm2 5.190 CV 1
ASSI { 34}
(( segid "SH3 " and resid 306 and name HA ))
(( segid "SH3 " and resid 306 and name HN ))
2.900 1.700 1.700 peak 34 weight 0.10000E+01 volume 0.15009E-02 ppm1 4.980 ppm2 7.660 CV 1
ASSI { 35}
(( segid "SH3 " and resid 306 and name HA ))
( segid "SH3 " and resid 306 and name HD1%)
2.500 1.300 1.300 peak 35 weight 0.10000E+01 volume 0.36983E-02 ppm1 4.980 ppm2 0.930 CV 1
ASSI { 36}
(( segid "SH3 " and resid 306 and name HA ))
( segid "SH3 " and resid 306 and name HD2%)
3.700 1.300 1.300 peak 36 weight 0.10000E+01 volume 0.32667E-02 ppm1 4.990 ppm2 0.850 CV 1
ASSI { 38}
(( segid "SH3 " and resid 306 and name HA ))
(( segid "SH3 " and resid 306 and name HG ))
2.600 1.300 1.300 peak 38 weight 0.10000E+01 volume 0.34138E-02 ppm1 4.980 ppm2 1.560 CV 1
ASSI { 39}
(( segid "SH3 " and resid 306 and name HA ))
(( segid "SH3 " and resid 306 and name HB2 ))
2.700 1.500 1.500 peak 39 weight 0.10000E+01 volume 0.24525E-02 ppm1 4.980 ppm2 1.690 CV 1
OR { 39}
(( segid "SH3 " and resid 306 and name HA ))
(( segid "SH3 " and resid 306 and name HB1 ))
ASSI { 912}
(( segid "SH3 " and resid 340 and name HD1 ))
(( segid "SH3 " and resid 335 and name HD21))
3.600 2.100 2.100 peak 912 weight 0.10000E+01 volume 0.80245E-03 ppm1 7.100 ppm2 7.850 CV 1
ASSI { 840}
(( segid "SH3 " and resid 342 and name HA ))
(( segid "SH3 " and resid 342 and name HG2 ))
3.000 1.500 1.500 peak 840 weight 0.10000E+01 volume 0.24623E-02 ppm1 3.430 ppm2 9.530 CV 1
ASSI { 1712}
(( segid "SH3 " and resid 340 and name HD1 ))
(( segid "SH3 " and resid 339 and name HB2 ))
2.900 1.700 1.700 peak 1712 weight 0.10000E+01 volume 0.15009E-02 ppm1 7.100 ppm2 2.150 CV 1
ASSI { 31}
(( segid "SH3 " and resid 306 and name HA ))
( segid "SH3 " and resid 307 and name HD% )
3.700 2.000 2.000 peak 31 weight 0.10000E+01 volume 0.81910E-03 ppm1 4.980 ppm2 6.920 CV 1
ASSI { 848}
(( segid "SH3 " and resid 342 and name HA ))
(( segid "SH3 " and resid 342 and name HG1 ))
2.700 1.400 1.400 peak 848 weight 0.10000E+01 volume 0.27173E-02 ppm1 3.430 ppm2 1.090 CV 1
ASSI { 1635}
(( segid "SH3 " and resid 342 and name HA ))
(( segid "SH3 " and resid 340 and name HE3 ))
4.400 2.400 1.600 peak 1635 weight 0.10000E+01 volume 0.50324E-03 ppm1 3.430 ppm2 7.420 CV 1
ASSI { 847}
(( segid "SH3 " and resid 342 and name HA ))
(( segid "SH3 " and resid 342 and name HB1 ))
3.000 1.500 1.500 peak 847 weight 0.10000E+01 volume 0.21778E-02 ppm1 3.430 ppm2 1.290 CV 1
ASSI { 849}
(( segid "SH3 " and resid 342 and name HA ))
(( segid "SH3 " and resid 342 and name HB2 ))
2.500 1.400 1.400 peak 849 weight 0.10000E+01 volume 0.25898E-02 ppm1 3.430 ppm2 0.710 CV 1
ASSI { 846}
(( segid "SH3 " and resid 342 and name HA ))
(( segid "SH3 " and resid 341 and name HA ))
4.300 2.300 1.700 peak 846 weight 0.10000E+01 volume 0.58565E-03 ppm1 3.450 ppm2 5.150 CV 1
ASSI { 822}
(( segid "SH3 " and resid 341 and name HB1 ))
(( segid "SH3 " and resid 342 and name HN ))
3.500 1.900 1.900 peak 822 weight 0.10000E+01 volume 0.10693E-02 ppm1 2.400 ppm2 8.130 CV 1
ASSI { 825}
(( segid "SH3 " and resid 341 and name HB1 ))
( segid "SH3 " and resid 334 and name HE% )
3.600 1.900 1.900 peak 825 weight 0.10000E+01 volume 0.10300E-02 ppm1 2.390 ppm2 6.710 CV 1
ASSI { 1651}
(( segid "SH3 " and resid 341 and name HB2 ))
( segid "SH3 " and resid 334 and name HE% )
4.300 2.100 1.700 peak 1651 weight 0.10000E+01 volume 0.72983E-03 ppm1 2.200 ppm2 6.720 CV 1
ASSI { 836}
(( segid "SH3 " and resid 341 and name HB2 ))
( segid "SH3 " and resid 357 and name HD1%)
2.900 1.400 1.400 peak 836 weight 0.10000E+01 volume 0.26388E-02 ppm1 2.190 ppm2 0.270 CV 1
ASSI { 829}
(( segid "SH3 " and resid 341 and name HB2 ))
(( segid "SH3 " and resid 341 and name HA ))
2.800 1.400 1.400 peak 829 weight 0.10000E+01 volume 0.25015E-02 ppm1 2.190 ppm2 5.120 CV 1
ASSI { 1433}
(( segid "SH3 " and resid 341 and name HB2 ))
(( segid "SH3 " and resid 340 and name HE3 ))
4.600 2.500 1.400 peak 1433 weight 0.10000E+01 volume 0.41005E-03 ppm1 2.170 ppm2 7.430 CV 1
ASSI { 828}
(( segid "SH3 " and resid 341 and name HB1 ))
(( segid "SH3 " and resid 341 and name HA ))
2.600 1.400 1.400 peak 828 weight 0.10000E+01 volume 0.25407E-02 ppm1 2.400 ppm2 5.120 CV 1
ASSI { 833}
(( segid "SH3 " and resid 341 and name HB1 ))
( segid "SH3 " and resid 357 and name HD1%)
2.700 1.500 1.500 peak 833 weight 0.10000E+01 volume 0.24623E-02 ppm1 2.400 ppm2 0.270 CV 1
ASSI { 832}
(( segid "SH3 " and resid 341 and name HB1 ))
( segid "SH3 " and resid 352 and name HG2%)
3.300 1.900 1.900 peak 832 weight 0.10000E+01 volume 0.10104E-02 ppm1 2.390 ppm2 0.570 CV 1
ASSI { 823}
(( segid "SH3 " and resid 341 and name HB1 ))
( segid "SH3 " and resid 334 and name HD% )
3.800 2.000 2.000 peak 823 weight 0.10000E+01 volume 0.89269E-03 ppm1 2.400 ppm2 7.090 CV 1
ASSI { 827}
(( segid "SH3 " and resid 341 and name HB2 ))
(( segid "SH3 " and resid 334 and name HA ))
4.700 2.200 1.300 peak 827 weight 0.10000E+01 volume 0.60824E-03 ppm1 2.190 ppm2 5.470 CV 1
ASSI { 835}
(( segid "SH3 " and resid 341 and name HB2 ))
( segid "SH3 " and resid 331 and name HG2%)
4.600 2.300 1.400 peak 835 weight 0.10000E+01 volume 0.56997E-03 ppm1 2.200 ppm2 -0.090 CV 1
ASSI { 1649}
(( segid "SH3 " and resid 341 and name HB2 ))
( segid "SH3 " and resid 334 and name HD% )
3.800 1.800 1.800 peak 1649 weight 0.10000E+01 volume 0.13243E-02 ppm1 2.170 ppm2 7.090 CV 1
ASSI { 830}
(( segid "SH3 " and resid 341 and name HB1 ))
(( segid "SH3 " and resid 354 and name HA ))
4.300 2.100 1.700 peak 830 weight 0.10000E+01 volume 0.80342E-03 ppm1 2.390 ppm2 3.980 CV 1
ASSI { 1432}
(( segid "SH3 " and resid 341 and name HB2 ))
(( segid "SH3 " and resid 351 and name HZ3 ))
4.600 2.500 1.400 peak 1432 weight 0.10000E+01 volume 0.42673E-03 ppm1 2.200 ppm2 6.880 CV 1
ASSI { 960}
(( segid "SH3 " and resid 344 and name HA ))
( segid "SH3 " and resid 343 and name HB% )
4.000 2.600 2.000 peak 960 weight 0.10000E+01 volume 0.38259E-03 ppm1 5.190 ppm2 1.090 CV 1
ASSI { 959}
(( segid "SH3 " and resid 344 and name HA ))
( segid "SH3 " and resid 332 and name HD1%)
3.700 1.700 1.700 peak 959 weight 0.10000E+01 volume 0.14813E-02 ppm1 5.190 ppm2 0.580 CV 1
ASSI { 953}
(( segid "SH3 " and resid 344 and name HA ))
(( segid "SH3 " and resid 344 and name HN ))
2.800 1.700 1.700 peak 953 weight 0.10000E+01 volume 0.16285E-02 ppm1 5.190 ppm2 8.790 CV 1
ASSI { 955}
(( segid "SH3 " and resid 344 and name HA ))
(( segid "SH3 " and resid 344 and name HG2 ))
2.800 1.600 1.600 peak 955 weight 0.10000E+01 volume 0.17854E-02 ppm1 5.180 ppm2 2.200 CV 1
ASSI { 952}
(( segid "SH3 " and resid 344 and name HA ))
(( segid "SH3 " and resid 349 and name HA ))
2.100 1.200 1.200 peak 952 weight 0.10000E+01 volume 0.51698E-02 ppm1 5.190 ppm2 5.600 CV 1
ASSI { 956}
(( segid "SH3 " and resid 344 and name HA ))
(( segid "SH3 " and resid 349 and name HB1 ))
3.700 1.600 1.600 peak 956 weight 0.10000E+01 volume 0.19228E-02 ppm1 5.180 ppm2 2.110 CV 1
OR { 956}
(( segid "SH3 " and resid 344 and name HA ))
(( segid "SH3 " and resid 349 and name HB2 ))
ASSI { 957}
(( segid "SH3 " and resid 344 and name HA ))
(( segid "SH3 " and resid 344 and name HB2 ))
2.400 1.400 1.400 peak 957 weight 0.10000E+01 volume 0.30018E-02 ppm1 5.190 ppm2 1.780 CV 1
ASSI { 908}
(( segid "SH3 " and resid 351 and name HB1 ))
(( segid "SH3 " and resid 351 and name HD1 ))
3.700 1.700 1.700 peak 908 weight 0.10000E+01 volume 0.14813E-02 ppm1 3.210 ppm2 7.440 CV 1
ASSI { 906}
(( segid "SH3 " and resid 351 and name HB2 ))
(( segid "SH3 " and resid 351 and name HD1 ))
2.800 1.900 1.900 peak 906 weight 0.10000E+01 volume 0.11085E-02 ppm1 2.870 ppm2 7.440 CV 1
ASSI { 909}
(( segid "SH3 " and resid 351 and name HB1 ))
(( segid "SH3 " and resid 351 and name HE3 ))
2.800 1.700 1.700 peak 909 weight 0.10000E+01 volume 0.14421E-02 ppm1 3.210 ppm2 7.340 CV 1
ASSI { 907}
(( segid "SH3 " and resid 351 and name HB2 ))
(( segid "SH3 " and resid 351 and name HE3 ))
3.900 1.900 1.900 peak 907 weight 0.10000E+01 volume 0.11085E-02 ppm1 2.870 ppm2 7.340 CV 1
ASSI { 1020}
(( segid "SH3 " and resid 351 and name HB2 ))
(( segid "SH3 " and resid 350 and name HA2 ))
4.900 2.700 1.100 peak 1020 weight 0.10000E+01 volume 0.34040E-03 ppm1 2.890 ppm2 3.940 CV 1
ASSI { 752}
(( segid "SH3 " and resid 351 and name HB1 ))
(( segid "SH3 " and resid 320 and name HA ))
4.400 2.400 1.600 peak 752 weight 0.10000E+01 volume 0.50619E-03 ppm1 3.200 ppm2 5.140 CV 1
ASSI { 270}
(( segid "SH3 " and resid 312 and name HA ))
(( segid "SH3 " and resid 312 and name HB1 ))
2.700 1.300 1.300 peak 270 weight 0.10000E+01 volume 0.32471E-02 ppm1 4.850 ppm2 2.740 CV 1
ASSI { 747}
(( segid "SH3 " and resid 336 and name HB1 ))
(( segid "SH3 " and resid 336 and name HE1 ))
4.300 2.000 1.700 peak 747 weight 0.10000E+01 volume 0.86031E-03 ppm1 3.150 ppm2 7.040 CV 1
OR { 747}
(( segid "SH3 " and resid 336 and name HB2 ))
(( segid "SH3 " and resid 336 and name HE1 ))
ASSI { 750}
(( segid "SH3 " and resid 336 and name HB1 ))
(( segid "SH3 " and resid 337 and name HB2 ))
4.600 2.700 1.400 peak 750 weight 0.10000E+01 volume 0.35414E-03 ppm1 3.170 ppm2 2.520 CV 1
OR { 750}
(( segid "SH3 " and resid 336 and name HB2 ))
(( segid "SH3 " and resid 337 and name HB2 ))
ASSI { 633}
(( segid "SH3 " and resid 330 and name HA ))
( segid "SH3 " and resid 331 and name HG2%)
4.300 2.100 1.700 peak 633 weight 0.10000E+01 volume 0.78089E-03 ppm1 5.110 ppm2 -0.090 CV 1
ASSI { 626}
(( segid "SH3 " and resid 330 and name HA ))
(( segid "SH3 " and resid 307 and name HN ))
3.300 2.000 2.000 peak 626 weight 0.10000E+01 volume 0.87604E-03 ppm1 5.110 ppm2 9.320 CV 1
ASSI { 628}
(( segid "SH3 " and resid 330 and name HA ))
(( segid "SH3 " and resid 330 and name HN ))
2.800 1.600 1.600 peak 628 weight 0.10000E+01 volume 0.20012E-02 ppm1 5.110 ppm2 8.370 CV 1
ASSI { 631}
(( segid "SH3 " and resid 330 and name HA ))
(( segid "SH3 " and resid 330 and name HB1 ))
2.400 1.200 1.200 peak 631 weight 0.10000E+01 volume 0.43752E-02 ppm1 5.110 ppm2 1.680 CV 1
OR { 631}
(( segid "SH3 " and resid 330 and name HA ))
(( segid "SH3 " and resid 330 and name HB2 ))
ASSI { 1323}
(( segid "SH3 " and resid 330 and name HA ))
(( segid "SH3 " and resid 330 and name HG2 ))
2.900 1.700 1.700 peak 1323 weight 0.10000E+01 volume 0.15892E-02 ppm1 5.110 ppm2 1.450 CV 1
OR { 1323}
(( segid "SH3 " and resid 330 and name HA ))
(( segid "SH3 " and resid 330 and name HG1 ))
ASSI { 630}
(( segid "SH3 " and resid 330 and name HA ))
(( segid "SH3 " and resid 305 and name HB1 ))
3.400 2.000 2.000 peak 630 weight 0.10000E+01 volume 0.93588E-03 ppm1 5.110 ppm2 3.120 CV 1
ASSI { 629}
(( segid "SH3 " and resid 330 and name HA ))
( segid "SH3 " and resid 307 and name HD% )
4.200 2.300 1.800 peak 629 weight 0.10000E+01 volume 0.57778E-03 ppm1 5.120 ppm2 6.890 CV 1
ASSI { 1003}
(( segid "SH3 " and resid 349 and name HA ))
(( segid "SH3 " and resid 349 and name HB1 ))
2.300 1.200 1.200 peak 1003 weight 0.10000E+01 volume 0.52875E-02 ppm1 5.600 ppm2 2.100 CV 1
OR { 1003}
(( segid "SH3 " and resid 349 and name HA ))
(( segid "SH3 " and resid 349 and name HB2 ))
ASSI { 1004}
(( segid "SH3 " and resid 349 and name HA ))
(( segid "SH3 " and resid 349 and name HG2 ))
3.100 1.500 1.500 peak 1004 weight 0.10000E+01 volume 0.23347E-02 ppm1 5.600 ppm2 1.800 CV 1
OR { 1004}
(( segid "SH3 " and resid 349 and name HA ))
(( segid "SH3 " and resid 349 and name HG1 ))
ASSI { 1002}
(( segid "SH3 " and resid 349 and name HA ))
(( segid "SH3 " and resid 350 and name HA1 ))
4.100 2.500 1.900 peak 1002 weight 0.10000E+01 volume 0.42084E-03 ppm1 5.600 ppm2 4.140 CV 1
ASSI { 1001}
(( segid "SH3 " and resid 349 and name HA ))
(( segid "SH3 " and resid 348 and name HA1 ))
4.400 2.500 1.600 peak 1001 weight 0.10000E+01 volume 0.41201E-03 ppm1 5.620 ppm2 4.290 CV 1
ASSI { 5}
(( segid "SH3 " and resid 305 and name HA ))
(( segid "SH3 " and resid 331 and name HB ))
3.400 1.900 1.900 peak 5 weight 0.10000E+01 volume 0.99078E-03 ppm1 4.910 ppm2 1.550 CV 1
ASSI { 4}
(( segid "SH3 " and resid 355 and name HA ))
(( segid "SH3 " and resid 355 and name HB1 ))
2.400 1.100 1.100 peak 4 weight 0.10000E+01 volume 0.61701E-02 ppm1 4.850 ppm2 3.070 CV 1
ASSI { 3}
(( segid "SH3 " and resid 305 and name HA ))
(( segid "SH3 " and resid 305 and name HB1 ))
2.500 1.200 1.200 peak 3 weight 0.10000E+01 volume 0.52188E-02 ppm1 4.910 ppm2 3.080 CV 1
ASSI { 6}
(( segid "SH3 " and resid 305 and name HA ))
(( segid "SH3 " and resid 330 and name HB1 ))
3.800 2.000 2.000 peak 6 weight 0.10000E+01 volume 0.94369E-03 ppm1 4.920 ppm2 1.710 CV 1
OR { 6}
(( segid "SH3 " and resid 305 and name HA ))
(( segid "SH3 " and resid 330 and name HB2 ))
ASSI { 2}
(( segid "SH3 " and resid 305 and name HA ))
( segid "SH3 " and resid 307 and name HE% )
2.900 1.500 1.500 peak 2 weight 0.10000E+01 volume 0.22171E-02 ppm1 4.910 ppm2 7.340 CV 1
ASSI { 1640}
(( segid "SH3 " and resid 315 and name HA ))
( segid "SH3 " and resid 313 and name HE% )
2.800 1.600 1.600 peak 1640 weight 0.10000E+01 volume 0.18835E-02 ppm1 3.780 ppm2 7.500 CV 1
ASSI { 347}
(( segid "SH3 " and resid 315 and name HA ))
( segid "SH3 " and resid 315 and name HB% )
2.200 1.000 1.000 peak 347 weight 0.10000E+01 volume 0.78677E-02 ppm1 3.790 ppm2 1.290 CV 1
ASSI { 731}
(( segid "SH3 " and resid 335 and name HA ))
(( segid "SH3 " and resid 334 and name HA ))
4.200 2.400 1.800 peak 731 weight 0.10000E+01 volume 0.50815E-03 ppm1 4.960 ppm2 5.460 CV 1
ASSI { 726}
(( segid "SH3 " and resid 335 and name HA ))
(( segid "SH3 " and resid 335 and name HN ))
2.900 1.500 1.500 peak 726 weight 0.10000E+01 volume 0.20601E-02 ppm1 4.970 ppm2 8.920 CV 1
ASSI { 730}
(( segid "SH3 " and resid 335 and name HA ))
(( segid "SH3 " and resid 351 and name HH2 ))
3.100 1.600 1.600 peak 730 weight 0.10000E+01 volume 0.18050E-02 ppm1 4.970 ppm2 6.870 CV 1
ASSI { 732}
(( segid "SH3 " and resid 335 and name HA ))
(( segid "SH3 " and resid 335 and name HB1 ))
2.700 1.300 1.300 peak 732 weight 0.10000E+01 volume 0.35904E-02 ppm1 4.970 ppm2 3.300 CV 1
ASSI { 883}
(( segid "SH3 " and resid 342 and name HG2 ))
( segid "SH3 " and resid 332 and name HD1%)
3.800 2.500 2.200 peak 883 weight 0.10000E+01 volume 0.41986E-03 ppm1 -0.490 ppm2 0.530 CV 1
ASSI { 885}
(( segid "SH3 " and resid 342 and name HG1 ))
(( segid "SH3 " and resid 333 and name HN ))
4.400 2.100 1.600 peak 885 weight 0.10000E+01 volume 0.80438E-03 ppm1 1.090 ppm2 6.990 CV 1
ASSI { 875}
(( segid "SH3 " and resid 342 and name HG2 ))
(( segid "SH3 " and resid 351 and name HZ2 ))
4.500 2.500 1.500 peak 875 weight 0.10000E+01 volume 0.42182E-03 ppm1 -0.480 ppm2 7.350 CV 1
ASSI { 923}
(( segid "SH3 " and resid 340 and name HH2 ))
(( segid "SH3 " and resid 340 and name HZ2 ))
2.300 1.200 1.200 peak 923 weight 0.10000E+01 volume 0.47087E-02 ppm1 7.280 ppm2 7.470 CV 1
ASSI { 922}
(( segid "SH3 " and resid 340 and name HH2 ))
(( segid "SH3 " and resid 353 and name HB1 ))
4.300 2.100 1.700 peak 922 weight 0.10000E+01 volume 0.80438E-03 ppm1 7.280 ppm2 1.290 CV 1
OR { 922}
(( segid "SH3 " and resid 340 and name HH2 ))
(( segid "SH3 " and resid 353 and name HB2 ))
ASSI { 920}
(( segid "SH3 " and resid 340 and name HH2 ))
(( segid "SH3 " and resid 340 and name HZ3 ))
2.400 1.500 1.500 peak 920 weight 0.10000E+01 volume 0.22955E-02 ppm1 7.280 ppm2 6.800 CV 1
ASSI { 872}
(( segid "SH3 " and resid 342 and name HG2 ))
(( segid "SH3 " and resid 333 and name HN ))
4.400 2.300 1.600 peak 872 weight 0.10000E+01 volume 0.56799E-03 ppm1 -0.480 ppm2 6.990 CV 1
ASSI { 921}
(( segid "SH3 " and resid 340 and name HH2 ))
(( segid "SH3 " and resid 353 and name HD1 ))
3.600 2.600 2.400 peak 921 weight 0.10000E+01 volume 0.38847E-03 ppm1 7.280 ppm2 2.080 CV 1
ASSI { 1327}
(( segid "SH3 " and resid 330 and name HG1 ))
(( segid "SH3 " and resid 330 and name HN ))
3.700 2.300 2.300 peak 1327 weight 0.10000E+01 volume 0.58763E-03 ppm1 1.440 ppm2 8.370 CV 1
OR { 1327}
(( segid "SH3 " and resid 330 and name HG2 ))
(( segid "SH3 " and resid 330 and name HN ))
ASSI { 1326}
(( segid "SH3 " and resid 330 and name HG2 ))
(( segid "SH3 " and resid 331 and name HN ))
5.000 2.600 1.000 peak 1326 weight 0.10000E+01 volume 0.37964E-03 ppm1 1.430 ppm2 8.570 CV 1
OR { 1326}
(( segid "SH3 " and resid 330 and name HG1 ))
(( segid "SH3 " and resid 331 and name HN ))
ASSI { 802}
(( segid "SH3 " and resid 351 and name HH2 ))
(( segid "SH3 " and resid 340 and name HB2 ))
4.800 2.400 1.200 peak 802 weight 0.10000E+01 volume 0.48167E-03 ppm1 6.880 ppm2 2.550 CV 1
ASSI { 1668}
(( segid "SH3 " and resid 306 and name HG ))
( segid "SH3 " and resid 306 and name HD2%)
2.800 1.500 1.500 peak 1668 weight 0.10000E+01 volume 0.20110E-02 ppm1 1.600 ppm2 0.920 CV 1
ASSI { 619}
( segid "SH3 " and resid 329 and name HD1%)
(( segid "SH3 " and resid 331 and name HA ))
5.000 2.400 1.000 peak 619 weight 0.10000E+01 volume 0.52090E-03 ppm1 0.620 ppm2 3.950 CV 1
ASSI { 611}
( segid "SH3 " and resid 329 and name HD2%)
(( segid "SH3 " and resid 324 and name HN ))
4.200 2.300 1.800 peak 611 weight 0.10000E+01 volume 0.54150E-03 ppm1 0.660 ppm2 8.990 CV 1
ASSI { 1077}
(( segid "SH3 " and resid 353 and name HG2 ))
( segid "SH3 " and resid 313 and name HE% )
3.300 2.400 2.400 peak 1077 weight 0.10000E+01 volume 0.48559E-03 ppm1 0.240 ppm2 7.510 CV 1
ASSI { 1086}
(( segid "SH3 " and resid 353 and name HG1 ))
(( segid "SH3 " and resid 356 and name HB2 ))
4.400 2.400 1.600 peak 1086 weight 0.10000E+01 volume 0.46302E-03 ppm1 0.420 ppm2 3.180 CV 1
ASSI { 1083}
(( segid "SH3 " and resid 353 and name HG1 ))
(( segid "SH3 " and resid 352 and name HA ))
4.800 2.600 1.200 peak 1083 weight 0.10000E+01 volume 0.39730E-03 ppm1 0.420 ppm2 4.800 CV 1
ASSI { 1575}
( segid "SH3 " and resid 329 and name HD1%)
( segid "SH3 " and resid 343 and name HB% )
2.400 1.100 1.100 peak 1575 weight 0.10000E+01 volume 0.58860E-02 ppm1 0.630 ppm2 1.080 CV 1
ASSI { 621}
( segid "SH3 " and resid 329 and name HD2%)
(( segid "SH3 " and resid 327 and name HB1 ))
3.200 2.200 2.200 peak 621 weight 0.10000E+01 volume 0.67198E-03 ppm1 0.660 ppm2 2.510 CV 1
ASSI { 612}
( segid "SH3 " and resid 329 and name HD1%)
(( segid "SH3 " and resid 344 and name HN ))
4.400 2.100 1.600 peak 612 weight 0.10000E+01 volume 0.72202E-03 ppm1 0.630 ppm2 8.760 CV 1
ASSI { 625}
( segid "SH3 " and resid 329 and name HD1%)
( segid "SH3 " and resid 357 and name HD1%)
3.200 1.300 1.300 peak 625 weight 0.10000E+01 volume 0.34727E-02 ppm1 0.620 ppm2 0.230 CV 1
ASSI { 620}
( segid "SH3 " and resid 329 and name HD1%)
(( segid "SH3 " and resid 307 and name HB2 ))
3.200 1.500 1.500 peak 620 weight 0.10000E+01 volume 0.21287E-02 ppm1 0.620 ppm2 2.720 CV 1
OR { 620}
( segid "SH3 " and resid 329 and name HD1%)
(( segid "SH3 " and resid 307 and name HB1 ))
ASSI { 1666}
(( segid "SH3 " and resid 353 and name HG1 ))
(( segid "SH3 " and resid 353 and name HB1 ))
2.400 1.600 1.600 peak 1666 weight 0.10000E+01 volume 0.18148E-02 ppm1 0.410 ppm2 1.310 CV 1
OR { 1666}
(( segid "SH3 " and resid 353 and name HG1 ))
(( segid "SH3 " and resid 353 and name HB2 ))
ASSI { 1088}
(( segid "SH3 " and resid 353 and name HG1 ))
(( segid "SH3 " and resid 353 and name HD1 ))
2.300 1.600 1.600 peak 1088 weight 0.10000E+01 volume 0.16578E-02 ppm1 0.410 ppm2 2.070 CV 1
ASSI { 1079}
(( segid "SH3 " and resid 353 and name HG1 ))
( segid "SH3 " and resid 313 and name HD% )
4.100 2.200 1.900 peak 1079 weight 0.10000E+01 volume 0.64452E-03 ppm1 0.410 ppm2 7.370 CV 1
ASSI { 931}
(( segid "SH3 " and resid 351 and name HH2 ))
(( segid "SH3 " and resid 341 and name HA ))
4.800 2.600 1.200 peak 931 weight 0.10000E+01 volume 0.36198E-03 ppm1 6.880 ppm2 5.130 CV 1
ASSI { 1080}
(( segid "SH3 " and resid 353 and name HG2 ))
(( segid "SH3 " and resid 340 and name HH2 ))
4.400 2.100 1.600 peak 1080 weight 0.10000E+01 volume 0.71613E-03 ppm1 0.240 ppm2 7.300 CV 1
ASSI { 1087}
(( segid "SH3 " and resid 353 and name HG2 ))
(( segid "SH3 " and resid 353 and name HD1 ))
2.700 1.700 1.700 peak 1087 weight 0.10000E+01 volume 0.15696E-02 ppm1 0.240 ppm2 2.070 CV 1
ASSI { 1598}
( segid "SH3 " and resid 329 and name HD1%)
( segid "SH3 " and resid 323 and name HG2%)
2.400 1.100 1.100 peak 1598 weight 0.10000E+01 volume 0.62488E-02 ppm1 0.660 ppm2 0.840 CV 1
ASSI { 613}
( segid "SH3 " and resid 329 and name HD2%)
(( segid "SH3 " and resid 309 and name HN ))
3.300 1.500 1.500 peak 613 weight 0.10000E+01 volume 0.20699E-02 ppm1 0.650 ppm2 8.370 CV 1
ASSI { 616}
( segid "SH3 " and resid 329 and name HD2%)
(( segid "SH3 " and resid 328 and name HA ))
3.100 1.400 1.400 peak 616 weight 0.10000E+01 volume 0.28645E-02 ppm1 0.650 ppm2 5.230 CV 1
ASSI { 618}
( segid "SH3 " and resid 329 and name HD2%)
(( segid "SH3 " and resid 309 and name HA ))
4.100 1.900 1.900 peak 618 weight 0.10000E+01 volume 0.99078E-03 ppm1 0.660 ppm2 4.690 CV 1
ASSI { 622}
( segid "SH3 " and resid 329 and name HD1%)
(( segid "SH3 " and resid 327 and name HG2 ))
4.500 2.200 1.500 peak 622 weight 0.10000E+01 volume 0.61509E-03 ppm1 0.660 ppm2 2.100 CV 1
ASSI { 1078}
(( segid "SH3 " and resid 353 and name HG1 ))
( segid "SH3 " and resid 313 and name HE% )
2.800 2.300 2.300 peak 1078 weight 0.10000E+01 volume 0.54641E-03 ppm1 0.420 ppm2 7.500 CV 1
ASSI { 617}
( segid "SH3 " and resid 329 and name HD2%)
(( segid "SH3 " and resid 329 and name HA ))
3.300 1.900 1.900 peak 617 weight 0.10000E+01 volume 0.11183E-02 ppm1 0.650 ppm2 4.920 CV 1
ASSI { 1665}
(( segid "SH3 " and resid 353 and name HG2 ))
(( segid "SH3 " and resid 340 and name HZ3 ))
5.000 2.500 1.000 peak 1665 weight 0.10000E+01 volume 0.42084E-03 ppm1 0.250 ppm2 6.800 CV 1
ASSI { 1082}
(( segid "SH3 " and resid 353 and name HG1 ))
( segid "SH3 " and resid 356 and name HE% )
4.700 2.400 1.300 peak 1082 weight 0.10000E+01 volume 0.47970E-03 ppm1 0.440 ppm2 6.960 CV 1
ASSI { 610}
( segid "SH3 " and resid 329 and name HD2%)
(( segid "SH3 " and resid 329 and name HN ))
3.600 1.700 1.700 peak 610 weight 0.10000E+01 volume 0.14224E-02 ppm1 0.660 ppm2 9.150 CV 1
ASSI { 44}
(( segid "SH3 " and resid 306 and name HG ))
(( segid "SH3 " and resid 306 and name HN ))
4.300 2.100 1.700 peak 44 weight 0.10000E+01 volume 0.80047E-03 ppm1 1.580 ppm2 7.650 CV 1
ASSI { 200}
(( segid "SH3 " and resid 310 and name HG ))
(( segid "SH3 " and resid 310 and name HB1 ))
2.800 1.600 1.600 peak 200 weight 0.10000E+01 volume 0.19521E-02 ppm1 1.110 ppm2 0.990 CV 1
ASSI { 197}
(( segid "SH3 " and resid 310 and name HG ))
(( segid "SH3 " and resid 357 and name HA ))
4.000 2.100 2.000 peak 197 weight 0.10000E+01 volume 0.76323E-03 ppm1 1.110 ppm2 5.430 CV 1
ASSI { 199}
(( segid "SH3 " and resid 310 and name HG ))
(( segid "SH3 " and resid 310 and name HA ))
3.300 1.700 1.700 peak 199 weight 0.10000E+01 volume 0.14518E-02 ppm1 1.110 ppm2 3.910 CV 1
ASSI { 198}
(( segid "SH3 " and resid 310 and name HG ))
(( segid "SH3 " and resid 309 and name HA ))
4.800 2.500 1.200 peak 198 weight 0.10000E+01 volume 0.43163E-03 ppm1 1.110 ppm2 4.690 CV 1
ASSI { 1596}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 349 and name HG2 ))
3.900 2.000 2.000 peak 1596 weight 0.10000E+01 volume 0.81519E-03 ppm1 0.580 ppm2 1.790 CV 1
OR { 1596}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 349 and name HG1 ))
ASSI { 436}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 350 and name HN ))
3.600 1.500 1.500 peak 436 weight 0.10000E+01 volume 0.24132E-02 ppm1 0.580 ppm2 8.700 CV 1
ASSI { 1595}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 349 and name HB2 ))
4.100 2.100 1.900 peak 1595 weight 0.10000E+01 volume 0.76221E-03 ppm1 0.580 ppm2 2.110 CV 1
OR { 1595}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 349 and name HB1 ))
ASSI { 1287}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 350 and name HA2 ))
4.500 2.000 1.500 peak 1287 weight 0.10000E+01 volume 0.92506E-03 ppm1 0.590 ppm2 4.000 CV 1
ASSI { 901}
(( segid "SH3 " and resid 343 and name HA ))
( segid "SH3 " and resid 331 and name HG1%)
4.100 2.100 1.900 peak 901 weight 0.10000E+01 volume 0.72790E-03 ppm1 5.200 ppm2 0.260 CV 1
ASSI { 890}
(( segid "SH3 " and resid 343 and name HA ))
(( segid "SH3 " and resid 342 and name HA ))
4.300 2.400 1.700 peak 890 weight 0.10000E+01 volume 0.48853E-03 ppm1 5.190 ppm2 3.430 CV 1
ASSI { 888}
(( segid "SH3 " and resid 343 and name HA ))
(( segid "SH3 " and resid 344 and name HN ))
2.100 1.000 1.000 peak 888 weight 0.10000E+01 volume 0.76323E-02 ppm1 5.190 ppm2 8.800 CV 1
ASSI { 893}
(( segid "SH3 " and resid 343 and name HA ))
( segid "SH3 " and resid 343 and name HB% )
2.100 1.000 1.000 peak 893 weight 0.10000E+01 volume 0.75043E-02 ppm1 5.190 ppm2 1.080 CV 1
ASSI { 942}
(( segid "SH3 " and resid 343 and name HA ))
( segid "SH3 " and resid 352 and name HG2%)
3.600 1.700 1.700 peak 942 weight 0.10000E+01 volume 0.13734E-02 ppm1 5.190 ppm2 0.570 CV 1
ASSI { 891}
(( segid "SH3 " and resid 343 and name HA ))
(( segid "SH3 " and resid 330 and name HB2 ))
4.500 2.400 1.500 peak 891 weight 0.10000E+01 volume 0.47480E-03 ppm1 5.190 ppm2 1.690 CV 1
OR { 891}
(( segid "SH3 " and resid 343 and name HA ))
(( segid "SH3 " and resid 330 and name HB1 ))
ASSI { 806}
(( segid "SH3 " and resid 351 and name HZ3 ))
(( segid "SH3 " and resid 340 and name HB2 ))
4.400 2.400 1.600 peak 806 weight 0.10000E+01 volume 0.48068E-03 ppm1 6.860 ppm2 2.550 CV 1
ASSI { 805}
(( segid "SH3 " and resid 351 and name HZ3 ))
(( segid "SH3 " and resid 342 and name HB2 ))
3.800 2.700 2.200 peak 805 weight 0.10000E+01 volume 0.33942E-03 ppm1 6.860 ppm2 0.770 CV 1
ASSI { 1486}
(( segid "SH3 " and resid 353 and name HD1 ))
( segid "SH3 " and resid 323 and name HD1%)
4.900 2.800 1.100 peak 1486 weight 0.10000E+01 volume 0.30116E-03 ppm1 2.080 ppm2 0.830 CV 1
ASSI { 1067}
(( segid "SH3 " and resid 353 and name HD1 ))
(( segid "SH3 " and resid 356 and name HB1 ))
5.600 2.700 0.400 peak 1067 weight 0.10000E+01 volume 0.32569E-03 ppm1 2.100 ppm2 3.350 CV 1
ASSI { 1058}
(( segid "SH3 " and resid 353 and name HD2 ))
( segid "SH3 " and resid 313 and name HD% )
3.600 2.300 2.300 peak 1058 weight 0.10000E+01 volume 0.53954E-03 ppm1 1.990 ppm2 7.360 CV 1
ASSI { 1069}
(( segid "SH3 " and resid 353 and name HD2 ))
(( segid "SH3 " and resid 352 and name HB ))
2.500 1.600 1.600 peak 1069 weight 0.10000E+01 volume 0.18639E-02 ppm1 1.980 ppm2 1.700 CV 1
ASSI { 1068}
(( segid "SH3 " and resid 353 and name HD1 ))
(( segid "SH3 " and resid 356 and name HB2 ))
4.300 2.300 1.700 peak 1068 weight 0.10000E+01 volume 0.57388E-03 ppm1 2.070 ppm2 3.190 CV 1
ASSI { 1062}
(( segid "SH3 " and resid 353 and name HD1 ))
(( segid "SH3 " and resid 340 and name HZ3 ))
2.800 2.000 2.000 peak 1062 weight 0.10000E+01 volume 0.81129E-03 ppm1 2.080 ppm2 6.800 CV 1
ASSI { 1073}
(( segid "SH3 " and resid 353 and name HD2 ))
(( segid "SH3 " and resid 353 and name HG1 ))
2.900 1.600 1.600 peak 1073 weight 0.10000E+01 volume 0.18148E-02 ppm1 1.980 ppm2 0.410 CV 1
ASSI { 1059}
(( segid "SH3 " and resid 353 and name HD1 ))
( segid "SH3 " and resid 313 and name HD% )
3.600 2.100 2.100 peak 1059 weight 0.10000E+01 volume 0.69456E-03 ppm1 2.090 ppm2 7.330 CV 1
ASSI { 1064}
(( segid "SH3 " and resid 353 and name HD1 ))
(( segid "SH3 " and resid 352 and name HA ))
2.100 1.300 1.300 peak 1064 weight 0.10000E+01 volume 0.34138E-02 ppm1 2.080 ppm2 4.790 CV 1
ASSI { 1070}
(( segid "SH3 " and resid 353 and name HD1 ))
(( segid "SH3 " and resid 352 and name HB ))
3.400 1.600 1.600 peak 1070 weight 0.10000E+01 volume 0.18050E-02 ppm1 2.080 ppm2 1.710 CV 1
ASSI { 1063}
(( segid "SH3 " and resid 353 and name HD2 ))
(( segid "SH3 " and resid 352 and name HA ))
2.700 1.400 1.400 peak 1063 weight 0.10000E+01 volume 0.30901E-02 ppm1 1.970 ppm2 4.790 CV 1
ASSI { 1203}
(( segid "SH3 " and resid 353 and name HD2 ))
(( segid "SH3 " and resid 340 and name HZ3 ))
4.500 2.100 1.500 peak 1203 weight 0.10000E+01 volume 0.71511E-03 ppm1 1.970 ppm2 6.800 CV 1
ASSI { 1074}
(( segid "SH3 " and resid 353 and name HD2 ))
(( segid "SH3 " and resid 353 and name HG2 ))
2.400 1.700 1.700 peak 1074 weight 0.10000E+01 volume 0.16383E-02 ppm1 1.970 ppm2 0.240 CV 1
ASSI { 1204}
(( segid "SH3 " and resid 353 and name HD1 ))
( segid "SH3 " and resid 313 and name HE% )
3.400 2.400 2.400 peak 1204 weight 0.10000E+01 volume 0.47872E-03 ppm1 2.080 ppm2 7.510 CV 1
ASSI { 1066}
(( segid "SH3 " and resid 353 and name HD2 ))
(( segid "SH3 " and resid 356 and name HB2 ))
2.800 2.100 2.100 peak 1066 weight 0.10000E+01 volume 0.76323E-03 ppm1 1.970 ppm2 3.190 CV 1
ASSI { 1065}
(( segid "SH3 " and resid 353 and name HD2 ))
(( segid "SH3 " and resid 356 and name HB1 ))
4.000 2.400 2.000 peak 1065 weight 0.10000E+01 volume 0.46400E-03 ppm1 1.970 ppm2 3.340 CV 1
ASSI { 1072}
(( segid "SH3 " and resid 353 and name HD2 ))
( segid "SH3 " and resid 352 and name HG1%)
4.000 2.100 2.000 peak 1072 weight 0.10000E+01 volume 0.72496E-03 ppm1 1.970 ppm2 0.970 CV 1
ASSI { 1056}
(( segid "SH3 " and resid 353 and name HD2 ))
( segid "SH3 " and resid 313 and name HE% )
4.200 2.200 1.800 peak 1056 weight 0.10000E+01 volume 0.65137E-03 ppm1 1.970 ppm2 7.490 CV 1
ASSI { 215}
( segid "SH3 " and resid 310 and name HD2%)
(( segid "SH3 " and resid 358 and name HN ))
4.500 2.500 1.500 peak 215 weight 0.10000E+01 volume 0.41495E-03 ppm1 0.660 ppm2 8.740 CV 1
ASSI { 217}
( segid "SH3 " and resid 329 and name HD1%)
( segid "SH3 " and resid 307 and name HD% )
4.600 2.400 1.400 peak 217 weight 0.10000E+01 volume 0.51992E-03 ppm1 0.660 ppm2 6.960 CV 1
ASSI { 216}
( segid "SH3 " and resid 310 and name HD2%)
(( segid "SH3 " and resid 357 and name HN ))
3.900 2.200 2.100 peak 216 weight 0.10000E+01 volume 0.64158E-03 ppm1 0.670 ppm2 7.350 CV 1
ASSI { 209}
( segid "SH3 " and resid 332 and name HD1%)
(( segid "SH3 " and resid 331 and name HA ))
4.600 2.200 1.400 peak 209 weight 0.10000E+01 volume 0.69354E-03 ppm1 0.530 ppm2 3.970 CV 1
ASSI { 1401}
( segid "SH3 " and resid 332 and name HD1%)
(( segid "SH3 " and resid 349 and name HE22))
3.400 1.500 1.500 peak 1401 weight 0.10000E+01 volume 0.21190E-02 ppm1 0.530 ppm2 6.530 CV 1
ASSI { 1400}
( segid "SH3 " and resid 332 and name HD1%)
(( segid "SH3 " and resid 349 and name HE21))
2.900 1.600 1.600 peak 1400 weight 0.10000E+01 volume 0.18050E-02 ppm1 0.530 ppm2 7.480 CV 1
ASSI { 211}
( segid "SH3 " and resid 332 and name HD1%)
(( segid "SH3 " and resid 344 and name HB2 ))
2.700 1.400 1.400 peak 211 weight 0.10000E+01 volume 0.30803E-02 ppm1 0.530 ppm2 1.780 CV 1
ASSI { 210}
( segid "SH3 " and resid 332 and name HD1%)
(( segid "SH3 " and resid 349 and name HB1 ))
2.900 1.300 1.300 peak 210 weight 0.10000E+01 volume 0.33157E-02 ppm1 0.530 ppm2 2.110 CV 1
OR { 210}
( segid "SH3 " and resid 332 and name HD1%)
(( segid "SH3 " and resid 349 and name HB2 ))
ASSI { 203}
( segid "SH3 " and resid 332 and name HD1%)
(( segid "SH3 " and resid 343 and name HA ))
3.900 1.800 1.800 peak 203 weight 0.10000E+01 volume 0.12851E-02 ppm1 0.530 ppm2 5.200 CV 1
ASSI { 1523}
(( segid "SH3 " and resid 358 and name HB ))
(( segid "SH3 " and resid 357 and name HA ))
4.000 2.400 2.000 peak 1523 weight 0.10000E+01 volume 0.50129E-03 ppm1 3.930 ppm2 5.430 CV 1
ASSI { 1522}
(( segid "SH3 " and resid 358 and name HB ))
(( segid "SH3 " and resid 308 and name HN ))
4.800 2.600 1.200 peak 1522 weight 0.10000E+01 volume 0.37670E-03 ppm1 3.920 ppm2 9.430 CV 1
ASSI { 1521}
(( segid "SH3 " and resid 358 and name HB ))
(( segid "SH3 " and resid 358 and name HN ))
3.300 1.800 1.800 peak 1521 weight 0.10000E+01 volume 0.12164E-02 ppm1 3.930 ppm2 8.740 CV 1
ASSI { 1526}
(( segid "SH3 " and resid 358 and name HB ))
( segid "SH3 " and resid 358 and name HG2%)
2.200 1.000 1.000 peak 1526 weight 0.10000E+01 volume 0.80540E-02 ppm1 3.930 ppm2 1.090 CV 1
ASSI { 1524}
(( segid "SH3 " and resid 358 and name HB ))
(( segid "SH3 " and resid 358 and name HA ))
2.400 1.200 1.200 peak 1524 weight 0.10000E+01 volume 0.46400E-02 ppm1 3.930 ppm2 5.270 CV 1
ASSI { 1527}
(( segid "SH3 " and resid 358 and name HB ))
( segid "SH3 " and resid 310 and name HD2%)
2.700 1.100 1.100 peak 1527 weight 0.10000E+01 volume 0.59839E-02 ppm1 3.930 ppm2 0.660 CV 1
ASSI { 1422}
(( segid "SH3 " and resid 340 and name HZ3 ))
( segid "SH3 " and resid 313 and name HE% )
4.300 2.200 1.700 peak 1422 weight 0.10000E+01 volume 0.60626E-03 ppm1 6.810 ppm2 7.510 CV 1
ASSI { 1423}
(( segid "SH3 " and resid 340 and name HZ3 ))
(( segid "SH3 " and resid 352 and name HA ))
2.800 2.100 2.100 peak 1423 weight 0.10000E+01 volume 0.79362E-03 ppm1 6.800 ppm2 4.800 CV 1
ASSI { 51}
( segid "SH3 " and resid 306 and name HD1%)
(( segid "SH3 " and resid 328 and name HA ))
3.800 2.000 2.000 peak 51 weight 0.10000E+01 volume 0.88974E-03 ppm1 0.950 ppm2 5.190 CV 1
ASSI { 1229}
( segid "SH3 " and resid 306 and name HD1%)
(( segid "SH3 " and resid 305 and name HB2 ))
4.100 2.100 1.900 peak 1229 weight 0.10000E+01 volume 0.72790E-03 ppm1 0.950 ppm2 2.970 CV 1
ASSI { 1230}
( segid "SH3 " and resid 306 and name HD1%)
(( segid "SH3 " and resid 305 and name HB1 ))
4.200 2.200 1.800 peak 1230 weight 0.10000E+01 volume 0.68573E-03 ppm1 0.950 ppm2 3.130 CV 1
ASSI { 47}
( segid "SH3 " and resid 306 and name HD1%)
(( segid "SH3 " and resid 307 and name HN ))
3.600 1.600 1.600 peak 47 weight 0.10000E+01 volume 0.18835E-02 ppm1 0.950 ppm2 9.330 CV 1
ASSI { 50}
( segid "SH3 " and resid 306 and name HD1%)
(( segid "SH3 " and resid 306 and name HN ))
4.800 2.300 1.200 peak 50 weight 0.10000E+01 volume 0.54052E-03 ppm1 0.950 ppm2 7.650 CV 1
ASSI { 947}
( segid "SH3 " and resid 343 and name HB% )
( segid "SH3 " and resid 352 and name HG2%)
2.000 0.900 0.900 peak 947 weight 0.10000E+01 volume 0.10497E-01 ppm1 1.080 ppm2 0.600 CV 1
ASSI { 946}
( segid "SH3 " and resid 343 and name HB% )
( segid "SH3 " and resid 331 and name HG2%)
2.800 1.500 1.500 peak 946 weight 0.10000E+01 volume 0.20502E-02 ppm1 1.080 ppm2 -0.090 CV 1
ASSI { 951}
( segid "SH3 " and resid 343 and name HB% )
(( segid "SH3 " and resid 332 and name HN ))
4.900 2.200 1.100 peak 951 weight 0.10000E+01 volume 0.67690E-03 ppm1 1.080 ppm2 9.250 CV 1
ASSI { 925}
(( segid "SH3 " and resid 351 and name HE3 ))
(( segid "SH3 " and resid 340 and name HB2 ))
5.400 2.700 0.600 peak 925 weight 0.10000E+01 volume 0.34727E-03 ppm1 7.340 ppm2 2.540 CV 1
ASSI { 811}
(( segid "SH3 " and resid 340 and name HE3 ))
(( segid "SH3 " and resid 351 and name HB2 ))
4.800 2.500 1.200 peak 811 weight 0.10000E+01 volume 0.42575E-03 ppm1 7.420 ppm2 2.850 CV 1
ASSI { 812}
(( segid "SH3 " and resid 340 and name HE3 ))
(( segid "SH3 " and resid 351 and name HB1 ))
3.100 2.000 2.000 peak 812 weight 0.10000E+01 volume 0.84661E-03 ppm1 7.400 ppm2 3.220 CV 1
ASSI { 814}
(( segid "SH3 " and resid 340 and name HE3 ))
(( segid "SH3 " and resid 340 and name HA ))
3.800 2.700 2.200 peak 814 weight 0.10000E+01 volume 0.34040E-03 ppm1 7.410 ppm2 5.090 CV 1
ASSI { 405}
(( segid "SH3 " and resid 320 and name HB ))
(( segid "SH3 " and resid 320 and name HA ))
2.300 1.300 1.300 peak 405 weight 0.10000E+01 volume 0.40711E-02 ppm1 4.600 ppm2 5.150 CV 1
ASSI { 408}
(( segid "SH3 " and resid 320 and name HB ))
( segid "SH3 " and resid 320 and name HG2%)
2.000 1.100 1.100 peak 408 weight 0.10000E+01 volume 0.65630E-02 ppm1 4.600 ppm2 1.280 CV 1
ASSI { 1299}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 327 and name HB1 ))
4.800 2.700 1.200 peak 1299 weight 0.10000E+01 volume 0.32667E-03 ppm1 3.890 ppm2 2.510 CV 1
ASSI { 1298}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 327 and name HG2 ))
4.200 2.300 1.800 peak 1298 weight 0.10000E+01 volume 0.59154E-03 ppm1 3.900 ppm2 2.080 CV 1
OR { 1298}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 327 and name HG1 ))
ASSI { 515}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 324 and name HA ))
2.800 1.400 1.400 peak 515 weight 0.10000E+01 volume 0.28547E-02 ppm1 3.900 ppm2 4.900 CV 1
ASSI { 1300}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 325 and name HN ))
2.600 1.400 1.400 peak 1300 weight 0.10000E+01 volume 0.31097E-02 ppm1 3.920 ppm2 8.920 CV 1
ASSI { 1295}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 327 and name HB2 ))
3.000 1.800 1.800 peak 1295 weight 0.10000E+01 volume 0.12066E-02 ppm1 3.900 ppm2 2.330 CV 1
ASSI { 1294}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 325 and name HB1 ))
5.000 2.600 1.000 peak 1294 weight 0.10000E+01 volume 0.38357E-03 ppm1 3.900 ppm2 1.660 CV 1
OR { 1294}
(( segid "SH3 " and resid 324 and name HB ))
(( segid "SH3 " and resid 325 and name HB2 ))
ASSI { 225}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 345 and name HN ))
3.900 2.100 2.100 peak 225 weight 0.10000E+01 volume 0.76617E-03 ppm1 0.670 ppm2 9.060 CV 1
ASSI { 228}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 322 and name HN ))
2.900 1.200 1.200 peak 228 weight 0.10000E+01 volume 0.45125E-02 ppm1 0.660 ppm2 8.130 CV 1
ASSI { 230}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 349 and name HA ))
3.400 1.800 1.800 peak 230 weight 0.10000E+01 volume 0.12753E-02 ppm1 0.660 ppm2 5.610 CV 1
ASSI { 231}
( segid "SH3 " and resid 321 and name HD1%)
(( segid "SH3 " and resid 344 and name HA ))
4.200 2.200 1.800 peak 231 weight 0.10000E+01 volume 0.64645E-03 ppm1 0.660 ppm2 5.180 CV 1
ASSI { 220}
( segid "SH3 " and resid 310 and name HD1%)
(( segid "SH3 " and resid 311 and name HN ))
4.800 2.400 1.200 peak 220 weight 0.10000E+01 volume 0.48559E-03 ppm1 0.660 ppm2 6.950 CV 1
ASSI { 222}
( segid "SH3 " and resid 310 and name HD1%)
(( segid "SH3 " and resid 357 and name HA ))
3.800 2.100 2.100 peak 222 weight 0.10000E+01 volume 0.70339E-03 ppm1 0.650 ppm2 5.430 CV 1
ASSI { 223}
( segid "SH3 " and resid 310 and name HD1%)
(( segid "SH3 " and resid 310 and name HA ))
2.400 0.900 0.900 peak 223 weight 0.10000E+01 volume 0.13636E-01 ppm1 0.650 ppm2 3.900 CV 1
ASSI { 219}
( segid "SH3 " and resid 310 and name HD1%)
(( segid "SH3 " and resid 310 and name HN ))
3.400 1.700 1.700 peak 219 weight 0.10000E+01 volume 0.14813E-02 ppm1 0.650 ppm2 9.500 CV 1
ASSI { 221}
( segid "SH3 " and resid 310 and name HD1%)
( segid "SH3 " and resid 311 and name HE% )
3.900 2.000 2.000 peak 221 weight 0.10000E+01 volume 0.82793E-03 ppm1 0.650 ppm2 6.610 CV 1
ASSI { 419}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 351 and name HB2 ))
2.900 1.500 1.500 peak 419 weight 0.10000E+01 volume 0.20110E-02 ppm1 1.280 ppm2 2.860 CV 1
ASSI { 418}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 351 and name HB1 ))
3.100 1.700 1.700 peak 418 weight 0.10000E+01 volume 0.14421E-02 ppm1 1.280 ppm2 3.210 CV 1
ASSI { 1560}
( segid "SH3 " and resid 320 and name HG2%)
( segid "SH3 " and resid 313 and name HE% )
2.600 1.500 1.500 peak 1560 weight 0.10000E+01 volume 0.24132E-02 ppm1 1.280 ppm2 7.520 CV 1
ASSI { 410}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 321 and name HN ))
3.200 1.700 1.700 peak 410 weight 0.10000E+01 volume 0.14911E-02 ppm1 1.280 ppm2 8.230 CV 1
ASSI { 1281}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 340 and name HZ3 ))
2.800 1.500 1.500 peak 1281 weight 0.10000E+01 volume 0.20895E-02 ppm1 1.280 ppm2 6.800 CV 1
ASSI { 415}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 320 and name HA ))
2.100 1.100 1.100 peak 415 weight 0.10000E+01 volume 0.55622E-02 ppm1 1.280 ppm2 5.150 CV 1
ASSI { 1280}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 340 and name HH2 ))
2.500 1.600 1.600 peak 1280 weight 0.10000E+01 volume 0.17559E-02 ppm1 1.280 ppm2 7.300 CV 1
ASSI { 1562}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 350 and name HA1 ))
4.900 2.300 1.100 peak 1562 weight 0.10000E+01 volume 0.52973E-03 ppm1 1.280 ppm2 4.170 CV 1
ASSI { 417}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 315 and name HA ))
4.000 2.000 2.000 peak 417 weight 0.10000E+01 volume 0.83778E-03 ppm1 1.280 ppm2 3.790 CV 1
ASSI { 903}
( segid "SH3 " and resid 320 and name HG2%)
(( segid "SH3 " and resid 352 and name HN ))
3.800 1.900 1.900 peak 903 weight 0.10000E+01 volume 0.10300E-02 ppm1 1.280 ppm2 8.820 CV 1
ASSI { 1380}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 341 and name HB1 ))
3.300 2.100 2.100 peak 1380 weight 0.10000E+01 volume 0.75440E-03 ppm1 -0.090 ppm2 2.390 CV 1
ASSI { 1376}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 343 and name HA ))
3.000 1.700 1.700 peak 1376 weight 0.10000E+01 volume 0.15696E-02 ppm1 -0.090 ppm2 5.190 CV 1
ASSI { 1379}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 307 and name HB2 ))
2.700 1.600 1.600 peak 1379 weight 0.10000E+01 volume 0.17559E-02 ppm1 -0.090 ppm2 2.710 CV 1
OR { 1379}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 307 and name HB1 ))
ASSI { 1386}
( segid "SH3 " and resid 331 and name HG2%)
( segid "SH3 " and resid 331 and name HG1%)
2.100 0.900 0.900 peak 1386 weight 0.10000E+01 volume 0.13832E-01 ppm1 -0.090 ppm2 0.260 CV 1
ASSI { 1378}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 331 and name HA ))
2.400 1.200 1.200 peak 1378 weight 0.10000E+01 volume 0.49049E-02 ppm1 -0.090 ppm2 3.960 CV 1
ASSI { 1375}
( segid "SH3 " and resid 331 and name HG2%)
( segid "SH3 " and resid 307 and name HD% )
3.000 1.400 1.400 peak 1375 weight 0.10000E+01 volume 0.25309E-02 ppm1 -0.090 ppm2 6.920 CV 1
ASSI { 1382}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 331 and name HB ))
2.200 1.000 1.000 peak 1382 weight 0.10000E+01 volume 0.73673E-02 ppm1 -0.090 ppm2 1.540 CV 1
ASSI { 1371}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 332 and name HN ))
4.100 1.800 1.800 peak 1371 weight 0.10000E+01 volume 0.12949E-02 ppm1 -0.090 ppm2 9.240 CV 1
ASSI { 1387}
( segid "SH3 " and resid 331 and name HG2%)
( segid "SH3 " and resid 329 and name HD1%)
2.900 1.200 1.200 peak 1387 weight 0.10000E+01 volume 0.44243E-02 ppm1 -0.090 ppm2 0.620 CV 1
ASSI { 1383}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 329 and name HB2 ))
3.200 2.000 2.000 peak 1383 weight 0.10000E+01 volume 0.83970E-03 ppm1 -0.090 ppm2 1.260 CV 1
ASSI { 1374}
( segid "SH3 " and resid 331 and name HG2%)
( segid "SH3 " and resid 307 and name HE% )
3.700 1.700 1.700 peak 1374 weight 0.10000E+01 volume 0.14224E-02 ppm1 -0.090 ppm2 7.340 CV 1
ASSI { 1368}
( segid "SH3 " and resid 331 and name HG2%)
(( segid "SH3 " and resid 344 and name HN ))
4.400 2.500 1.600 peak 1368 weight 0.10000E+01 volume 0.41790E-03 ppm1 -0.090 ppm2 8.780 CV 1
ASSI { 1506}
( segid "SH3 " and resid 356 and name HE% )
( segid "SH3 " and resid 313 and name HE% )
4.900 2.300 1.100 peak 1506 weight 0.10000E+01 volume 0.55131E-03 ppm1 6.950 ppm2 7.520 CV 1
ASSI { 1505}
( segid "SH3 " and resid 356 and name HE% )
( segid "SH3 " and resid 313 and name HD% )
3.700 1.700 1.700 peak 1505 weight 0.10000E+01 volume 0.13832E-02 ppm1 6.940 ppm2 7.380 CV 1
ASSI { 1725}
( segid "SH3 " and resid 356 and name HE% )
(( segid "SH3 " and resid 311 and name HB2 ))
3.100 1.800 1.800 peak 1725 weight 0.10000E+01 volume 0.11772E-02 ppm1 6.940 ppm2 2.190 CV 1
ASSI { 1728}
( segid "SH3 " and resid 356 and name HE% )
( segid "SH3 " and resid 311 and name HD% )
4.100 2.100 1.900 peak 1728 weight 0.10000E+01 volume 0.74947E-03 ppm1 6.950 ppm2 6.600 CV 1
ASSI { 1036}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 351 and name HA ))
4.100 2.200 1.900 peak 1036 weight 0.10000E+01 volume 0.66218E-03 ppm1 0.970 ppm2 5.450 CV 1
ASSI { 1030}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 343 and name HN ))
3.800 2.100 2.100 peak 1030 weight 0.10000E+01 volume 0.70532E-03 ppm1 0.960 ppm2 9.000 CV 1
ASSI { 1436}
( segid "SH3 " and resid 345 and name HG2%)
(( segid "SH3 " and resid 344 and name HN ))
4.100 2.300 1.900 peak 1436 weight 0.10000E+01 volume 0.54739E-03 ppm1 1.220 ppm2 8.790 CV 1
ASSI { 1032}
( segid "SH3 " and resid 352 and name HG1%)
( segid "SH3 " and resid 313 and name HE% )
3.900 1.800 1.800 peak 1032 weight 0.10000E+01 volume 0.12459E-02 ppm1 0.970 ppm2 7.500 CV 1
ASSI { 1037}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 352 and name HA ))
2.400 1.300 1.300 peak 1037 weight 0.10000E+01 volume 0.35119E-02 ppm1 0.970 ppm2 4.790 CV 1
ASSI { 1029}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 352 and name HN ))
3.000 1.600 1.600 peak 1029 weight 0.10000E+01 volume 0.17756E-02 ppm1 0.970 ppm2 9.720 CV 1
ASSI { 1045}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 353 and name HG2 ))
4.700 2.100 1.300 peak 1045 weight 0.10000E+01 volume 0.71709E-03 ppm1 0.970 ppm2 0.230 CV 1
ASSI { 1044}
( segid "SH3 " and resid 352 and name HG1%)
( segid "SH3 " and resid 352 and name HG2%)
2.100 0.900 0.900 peak 1044 weight 0.10000E+01 volume 0.12262E-01 ppm1 0.970 ppm2 0.570 CV 1
ASSI { 1043}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 352 and name HB ))
2.200 1.100 1.100 peak 1043 weight 0.10000E+01 volume 0.59743E-02 ppm1 0.970 ppm2 1.700 CV 1
ASSI { 1442}
( segid "SH3 " and resid 345 and name HG2%)
(( segid "SH3 " and resid 345 and name HA ))
2.100 0.900 0.900 peak 1442 weight 0.10000E+01 volume 0.14617E-01 ppm1 1.220 ppm2 4.920 CV 1
ASSI { 1041}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 313 and name HB1 ))
4.600 2.400 1.400 peak 1041 weight 0.10000E+01 volume 0.49834E-03 ppm1 0.970 ppm2 3.030 CV 1
ASSI { 1042}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 353 and name HD1 ))
3.900 1.800 1.800 peak 1042 weight 0.10000E+01 volume 0.12753E-02 ppm1 0.970 ppm2 2.070 CV 1
ASSI { 1038}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 320 and name HB ))
3.900 2.200 2.100 peak 1038 weight 0.10000E+01 volume 0.68573E-03 ppm1 0.970 ppm2 4.610 CV 1
ASSI { 1033}
( segid "SH3 " and resid 352 and name HG1%)
( segid "SH3 " and resid 313 and name HD% )
3.400 1.600 1.600 peak 1033 weight 0.10000E+01 volume 0.18247E-02 ppm1 0.970 ppm2 7.380 CV 1
ASSI { 1437}
( segid "SH3 " and resid 345 and name HG2%)
(( segid "SH3 " and resid 330 and name HN ))
3.400 1.800 1.800 peak 1437 weight 0.10000E+01 volume 0.11478E-02 ppm1 1.220 ppm2 8.360 CV 1
ASSI { 1040}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 313 and name HB2 ))
3.900 2.100 2.100 peak 1040 weight 0.10000E+01 volume 0.76809E-03 ppm1 0.970 ppm2 3.190 CV 1
ASSI { 1444}
( segid "SH3 " and resid 345 and name HG2%)
(( segid "SH3 " and resid 327 and name HB1 ))
4.400 1.800 1.600 peak 1444 weight 0.10000E+01 volume 0.12459E-02 ppm1 1.220 ppm2 2.510 CV 1
ASSI { 1403}
( segid "SH3 " and resid 334 and name HE% )
(( segid "SH3 " and resid 334 and name HB1 ))
5.000 2.400 1.000 peak 1403 weight 0.10000E+01 volume 0.47578E-03 ppm1 6.710 ppm2 3.290 CV 1
ASSI { 1441}
( segid "SH3 " and resid 345 and name HG2%)
(( segid "SH3 " and resid 344 and name HA ))
3.200 1.700 1.700 peak 1441 weight 0.10000E+01 volume 0.14715E-02 ppm1 1.220 ppm2 5.190 CV 1
ASSI { 1039}
( segid "SH3 " and resid 352 and name HG1%)
(( segid "SH3 " and resid 342 and name HA ))
4.700 2.400 1.300 peak 1039 weight 0.10000E+01 volume 0.50324E-03 ppm1 0.970 ppm2 3.440 CV 1
ASSI { 1585}
( segid "SH3 " and resid 334 and name HE% )
( segid "SH3 " and resid 334 and name HD% )
2.100 0.800 0.800 peak 1585 weight 0.10000E+01 volume 0.17756E-01 ppm1 6.710 ppm2 7.090 CV 1
ASSI { 1286}
(( segid "SH3 " and resid 321 and name HB1 ))
(( segid "SH3 " and resid 321 and name HG ))
2.800 1.600 1.600 peak 1286 weight 0.10000E+01 volume 0.18835E-02 ppm1 1.570 ppm2 1.390 CV 1
ASSI { 434}
(( segid "SH3 " and resid 321 and name HB1 ))
(( segid "SH3 " and resid 321 and name HB2 ))
1.700 1.000 1.000 peak 434 weight 0.10000E+01 volume 0.83778E-02 ppm1 1.560 ppm2 0.770 CV 1
ASSI { 426}
(( segid "SH3 " and resid 321 and name HB2 ))
(( segid "SH3 " and resid 350 and name HN ))
5.000 2.500 1.000 peak 426 weight 0.10000E+01 volume 0.44243E-03 ppm1 0.780 ppm2 8.710 CV 1
ASSI { 433}
(( segid "SH3 " and resid 321 and name HB1 ))
( segid "SH3 " and resid 352 and name HG1%)
2.700 1.600 1.600 peak 433 weight 0.10000E+01 volume 0.19325E-02 ppm1 1.570 ppm2 0.970 CV 1
ASSI { 435}
(( segid "SH3 " and resid 321 and name HB1 ))
( segid "SH3 " and resid 321 and name HD1%)
3.400 1.300 1.300 peak 435 weight 0.10000E+01 volume 0.35119E-02 ppm1 1.560 ppm2 0.590 CV 1
ASSI { 432}
(( segid "SH3 " and resid 321 and name HB1 ))
(( segid "SH3 " and resid 350 and name HA2 ))
4.500 2.000 1.500 peak 432 weight 0.10000E+01 volume 0.85249E-03 ppm1 1.560 ppm2 4.000 CV 1
ASSI { 1284}
(( segid "SH3 " and resid 321 and name HB1 ))
(( segid "SH3 " and resid 320 and name HB ))
3.700 1.700 1.700 peak 1284 weight 0.10000E+01 volume 0.15009E-02 ppm1 1.560 ppm2 4.610 CV 1
ASSI { 719}
( segid "SH3 " and resid 334 and name HE% )
( segid "SH3 " and resid 357 and name HD1%)
3.000 1.500 1.500 peak 719 weight 0.10000E+01 volume 0.22268E-02 ppm1 6.710 ppm2 0.270 CV 1
ASSI { 1733}
( segid "SH3 " and resid 334 and name HE% )
(( segid "SH3 " and resid 333 and name HA2 ))
3.600 1.700 1.700 peak 1733 weight 0.10000E+01 volume 0.15107E-02 ppm1 6.710 ppm2 3.910 CV 1
ASSI { 1734}
( segid "SH3 " and resid 334 and name HE% )
(( segid "SH3 " and resid 354 and name HB2 ))
3.600 1.700 1.700 peak 1734 weight 0.10000E+01 volume 0.13636E-02 ppm1 6.710 ppm2 3.820 CV 1
OR { 1734}
( segid "SH3 " and resid 334 and name HE% )
(( segid "SH3 " and resid 354 and name HB1 ))
ASSI { 1735}
( segid "SH3 " and resid 334 and name HE% )
(( segid "SH3 " and resid 341 and name HA ))
4.300 2.400 1.700 peak 1735 weight 0.10000E+01 volume 0.49638E-03 ppm1 6.710 ppm2 5.120 CV 1
ASSI { 720}
( segid "SH3 " and resid 334 and name HE% )
( segid "SH3 " and resid 331 and name HG2%)
4.800 2.600 1.200 peak 720 weight 0.10000E+01 volume 0.39436E-03 ppm1 6.700 ppm2 -0.090 CV 1
ASSI { 770}
(( segid "SH3 " and resid 338 and name HA1 ))
(( segid "SH3 " and resid 334 and name HB1 ))
3.800 1.600 1.600 peak 770 weight 0.10000E+01 volume 0.17069E-02 ppm1 4.200 ppm2 3.280 CV 1
ASSI { 771}
(( segid "SH3 " and resid 338 and name HA2 ))
(( segid "SH3 " and resid 334 and name HB1 ))
2.800 1.600 1.600 peak 771 weight 0.10000E+01 volume 0.19718E-02 ppm1 3.700 ppm2 3.280 CV 1
ASSI { 766}
(( segid "SH3 " and resid 338 and name HA2 ))
( segid "SH3 " and resid 334 and name HD% )
3.100 1.700 1.700 peak 766 weight 0.10000E+01 volume 0.15009E-02 ppm1 3.700 ppm2 7.090 CV 1
ASSI { 768}
(( segid "SH3 " and resid 338 and name HA2 ))
(( segid "SH3 " and resid 337 and name HA ))
4.800 2.500 1.200 peak 768 weight 0.10000E+01 volume 0.44046E-03 ppm1 3.700 ppm2 4.760 CV 1
ASSI { 1584}
( segid "SH3 " and resid 334 and name HE% )
(( segid "SH3 " and resid 334 and name HB2 ))
4.700 2.100 1.300 peak 1584 weight 0.10000E+01 volume 0.70634E-03 ppm1 6.710 ppm2 2.970 CV 1
ASSI { 596}
( segid "SH3 " and resid 324 and name HG2%)
(( segid "SH3 " and resid 324 and name HB ))
2.400 1.000 1.000 peak 596 weight 0.10000E+01 volume 0.81129E-02 ppm1 1.260 ppm2 3.900 CV 1
ASSI { 597}
( segid "SH3 " and resid 324 and name HG2%)
(( segid "SH3 " and resid 325 and name HA ))
4.700 2.500 1.300 peak 597 weight 0.10000E+01 volume 0.42673E-03 ppm1 1.270 ppm2 3.270 CV 1
ASSI { 1253}
( segid "SH3 " and resid 308 and name HG2%)
(( segid "SH3 " and resid 308 and name HN ))
3.700 1.600 1.600 peak 1253 weight 0.10000E+01 volume 0.19423E-02 ppm1 0.810 ppm2 9.440 CV 1
ASSI { 142}
( segid "SH3 " and resid 308 and name HG2%)
(( segid "SH3 " and resid 329 and name HN ))
5.100 2.300 0.900 peak 142 weight 0.10000E+01 volume 0.57190E-03 ppm1 0.810 ppm2 9.150 CV 1
ASSI { 145}
( segid "SH3 " and resid 308 and name HG2%)
(( segid "SH3 " and resid 308 and name HA ))
2.300 1.000 1.000 peak 145 weight 0.10000E+01 volume 0.76911E-02 ppm1 0.810 ppm2 5.230 CV 1
ASSI { 147}
( segid "SH3 " and resid 308 and name HG2%)
(( segid "SH3 " and resid 326 and name HA2 ))
2.500 1.300 1.300 peak 147 weight 0.10000E+01 volume 0.36983E-02 ppm1 0.810 ppm2 3.440 CV 1
ASSI { 263}
( segid "SH3 " and resid 311 and name HE% )
(( segid "SH3 " and resid 311 and name HB2 ))
4.200 1.800 1.800 peak 263 weight 0.10000E+01 volume 0.11575E-02 ppm1 6.620 ppm2 2.190 CV 1
ASSI { 266}
( segid "SH3 " and resid 311 and name HE% )
( segid "SH3 " and resid 310 and name HD2%)
3.400 1.500 1.500 peak 266 weight 0.10000E+01 volume 0.21091E-02 ppm1 6.620 ppm2 0.660 CV 1
ASSI { 1603}
( segid "SH3 " and resid 311 and name HE% )
(( segid "SH3 " and resid 356 and name HA ))
2.600 1.200 1.200 peak 1603 weight 0.10000E+01 volume 0.48264E-02 ppm1 6.620 ppm2 4.740 CV 1
ASSI { 262}
( segid "SH3 " and resid 311 and name HE% )
(( segid "SH3 " and resid 311 and name HB1 ))
4.200 1.800 1.800 peak 262 weight 0.10000E+01 volume 0.11968E-02 ppm1 6.620 ppm2 3.130 CV 1
ASSI { 1602}
( segid "SH3 " and resid 311 and name HE% )
( segid "SH3 " and resid 356 and name HD% )
4.300 1.800 1.700 peak 1602 weight 0.10000E+01 volume 0.11575E-02 ppm1 6.620 ppm2 6.990 CV 1
ASSI { 261}
( segid "SH3 " and resid 311 and name HE% )
(( segid "SH3 " and resid 356 and name HB1 ))
4.800 2.400 1.200 peak 261 weight 0.10000E+01 volume 0.49245E-03 ppm1 6.620 ppm2 3.350 CV 1
ASSI { 265}
( segid "SH3 " and resid 311 and name HE% )
(( segid "SH3 " and resid 310 and name HB1 ))
3.300 1.800 1.800 peak 265 weight 0.10000E+01 volume 0.12556E-02 ppm1 6.620 ppm2 0.950 CV 1
ASSI { 993}
(( segid "SH3 " and resid 348 and name HA2 ))
(( segid "SH3 " and resid 349 and name HA ))
4.200 2.400 1.800 peak 993 weight 0.10000E+01 volume 0.49343E-03 ppm1 3.920 ppm2 5.590 CV 1
ASSI { 995}
(( segid "SH3 " and resid 348 and name HA1 ))
(( segid "SH3 " and resid 347 and name HA ))
4.200 2.500 1.800 peak 995 weight 0.10000E+01 volume 0.43556E-03 ppm1 4.310 ppm2 4.880 CV 1
ASSI { 996}
(( segid "SH3 " and resid 350 and name HA1 ))
( segid "SH3 " and resid 321 and name HD1%)
3.600 1.500 1.500 peak 996 weight 0.10000E+01 volume 0.20993E-02 ppm1 4.300 ppm2 0.660 CV 1
ASSI { 991}
(( segid "SH3 " and resid 348 and name HA1 ))
(( segid "SH3 " and resid 345 and name HN ))
4.800 2.800 1.200 peak 991 weight 0.10000E+01 volume 0.31097E-03 ppm1 4.280 ppm2 9.080 CV 1
ASSI { 1455}
(( segid "SH3 " and resid 348 and name HA2 ))
(( segid "SH3 " and resid 349 and name HB1 ))
4.700 2.400 1.300 peak 1455 weight 0.10000E+01 volume 0.47087E-03 ppm1 3.900 ppm2 2.080 CV 1
OR { 1455}
(( segid "SH3 " and resid 348 and name HA2 ))
(( segid "SH3 " and resid 349 and name HB2 ))
ASSI { 990}
(( segid "SH3 " and resid 348 and name HA2 ))
(( segid "SH3 " and resid 345 and name HN ))
4.200 2.700 1.800 peak 990 weight 0.10000E+01 volume 0.33746E-03 ppm1 3.910 ppm2 9.070 CV 1
ASSI { 526}
(( segid "SH3 " and resid 329 and name HB1 ))
(( segid "SH3 " and resid 329 and name HA ))
2.300 1.300 1.300 peak 526 weight 0.10000E+01 volume 0.31882E-02 ppm1 1.560 ppm2 4.910 CV 1
ASSI { 1214}
(( segid "SH3 " and resid 350 and name HA1 ))
(( segid "SH3 " and resid 321 and name HN ))
4.300 2.400 1.700 peak 1214 weight 0.10000E+01 volume 0.51992E-03 ppm1 4.120 ppm2 8.240 CV 1
ASSI { 532}
(( segid "SH3 " and resid 329 and name HB2 ))
( segid "SH3 " and resid 329 and name HD1%)
2.600 1.400 1.400 peak 532 weight 0.10000E+01 volume 0.25506E-02 ppm1 1.260 ppm2 0.630 CV 1
ASSI { 607}
(( segid "SH3 " and resid 329 and name HB1 ))
(( segid "SH3 " and resid 330 and name HN ))
2.900 1.700 1.700 peak 607 weight 0.10000E+01 volume 0.14813E-02 ppm1 1.560 ppm2 8.370 CV 1
ASSI { 531}
(( segid "SH3 " and resid 329 and name HB1 ))
(( segid "SH3 " and resid 307 and name HB2 ))
4.700 2.500 1.300 peak 531 weight 0.10000E+01 volume 0.41790E-03 ppm1 1.550 ppm2 2.720 CV 1
OR { 531}
(( segid "SH3 " and resid 329 and name HB1 ))
(( segid "SH3 " and resid 307 and name HB1 ))
ASSI { 1221}
(( segid "SH3 " and resid 350 and name HA1 ))
(( segid "SH3 " and resid 351 and name HA ))
4.000 2.400 2.000 peak 1221 weight 0.10000E+01 volume 0.48362E-03 ppm1 4.130 ppm2 5.440 CV 1
ASSI { 1631}
(( segid "SH3 " and resid 350 and name HA1 ))
(( segid "SH3 " and resid 321 and name HB2 ))
2.500 1.600 1.600 peak 1631 weight 0.10000E+01 volume 0.18050E-02 ppm1 4.130 ppm2 0.770 CV 1
ASSI { 1212}
(( segid "SH3 " and resid 350 and name HA1 ))
(( segid "SH3 " and resid 351 and name HD1 ))
4.400 2.200 1.600 peak 1212 weight 0.10000E+01 volume 0.66609E-03 ppm1 4.140 ppm2 7.460 CV 1
ASSI { 1206}
(( segid "SH3 " and resid 350 and name HA1 ))
(( segid "SH3 " and resid 321 and name HB1 ))
2.700 2.000 2.000 peak 1206 weight 0.10000E+01 volume 0.90446E-03 ppm1 4.130 ppm2 1.560 CV 1
ASSI { 1630}
(( segid "SH3 " and resid 350 and name HA2 ))
(( segid "SH3 " and resid 321 and name HB2 ))
3.200 1.700 1.700 peak 1630 weight 0.10000E+01 volume 0.15205E-02 ppm1 4.020 ppm2 0.760 CV 1
ASSI { 1213}
(( segid "SH3 " and resid 350 and name HA2 ))
(( segid "SH3 " and resid 351 and name HD1 ))
3.600 2.100 2.100 peak 1213 weight 0.10000E+01 volume 0.70141E-03 ppm1 4.010 ppm2 7.460 CV 1
ASSI { 1211}
(( segid "SH3 " and resid 350 and name HA2 ))
(( segid "SH3 " and resid 320 and name HA ))
4.700 2.300 1.300 peak 1211 weight 0.10000E+01 volume 0.56210E-03 ppm1 4.010 ppm2 5.150 CV 1
ASSI { 1210}
(( segid "SH3 " and resid 350 and name HA1 ))
(( segid "SH3 " and resid 320 and name HA ))
4.500 2.200 1.500 peak 1210 weight 0.10000E+01 volume 0.66903E-03 ppm1 4.120 ppm2 5.140 CV 1
ASSI { 527}
(( segid "SH3 " and resid 329 and name HB2 ))
(( segid "SH3 " and resid 329 and name HA ))
3.100 1.600 1.600 peak 527 weight 0.10000E+01 volume 0.18148E-02 ppm1 1.270 ppm2 4.910 CV 1
ASSI { 1358}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 332 and name HA ))
3.500 1.800 1.800 peak 1358 weight 0.10000E+01 volume 0.12655E-02 ppm1 0.280 ppm2 4.260 CV 1
ASSI { 1352}
( segid "SH3 " and resid 331 and name HG1%)
( segid "SH3 " and resid 307 and name HE% )
3.800 1.900 1.900 peak 1352 weight 0.10000E+01 volume 0.10104E-02 ppm1 0.280 ppm2 7.350 CV 1
ASSI { 1353}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 333 and name HN ))
2.400 1.100 1.100 peak 1353 weight 0.10000E+01 volume 0.54935E-02 ppm1 0.280 ppm2 6.990 CV 1
ASSI { 1355}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 341 and name HA ))
3.600 2.000 2.000 peak 1355 weight 0.10000E+01 volume 0.92801E-03 ppm1 0.280 ppm2 5.150 CV 1
ASSI { 1354}
( segid "SH3 " and resid 331 and name HG1%)
( segid "SH3 " and resid 334 and name HE% )
3.100 1.600 1.600 peak 1354 weight 0.10000E+01 volume 0.17069E-02 ppm1 0.280 ppm2 6.710 CV 1
ASSI { 1362}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 331 and name HB ))
2.200 1.000 1.000 peak 1362 weight 0.10000E+01 volume 0.80342E-02 ppm1 0.280 ppm2 1.530 CV 1
ASSI { 1359}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 331 and name HA ))
2.400 1.200 1.200 peak 1359 weight 0.10000E+01 volume 0.44929E-02 ppm1 0.280 ppm2 3.950 CV 1
ASSI { 1367}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 334 and name HN ))
4.700 2.600 1.300 peak 1367 weight 0.10000E+01 volume 0.38455E-03 ppm1 0.280 ppm2 8.750 CV 1
ASSI { 1360}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 341 and name HB1 ))
2.800 1.700 1.700 peak 1360 weight 0.10000E+01 volume 0.15598E-02 ppm1 0.280 ppm2 2.400 CV 1
ASSI { 1361}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 341 and name HB2 ))
3.800 1.400 1.400 peak 1361 weight 0.10000E+01 volume 0.25015E-02 ppm1 0.280 ppm2 2.190 CV 1
ASSI { 1364}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 332 and name HB2 ))
4.600 2.100 1.400 peak 1364 weight 0.10000E+01 volume 0.69456E-03 ppm1 0.280 ppm2 1.210 CV 1
ASSI { 1363}
( segid "SH3 " and resid 331 and name HG1%)
(( segid "SH3 " and resid 342 and name HB1 ))
3.900 2.200 2.100 peak 1363 weight 0.10000E+01 volume 0.68766E-03 ppm1 0.280 ppm2 1.330 CV 1
ASSI { 372}
( segid "SH3 " and resid 314 and name HG2%)
(( segid "SH3 " and resid 312 and name HB1 ))
4.100 1.900 1.900 peak 372 weight 0.10000E+01 volume 0.99078E-03 ppm1 0.860 ppm2 2.740 CV 1
ASSI { 373}
( segid "SH3 " and resid 314 and name HG2%)
(( segid "SH3 " and resid 314 and name HB ))
2.200 0.900 0.900 peak 373 weight 0.10000E+01 volume 0.12164E-01 ppm1 0.850 ppm2 1.730 CV 1
ASSI { 369}
( segid "SH3 " and resid 314 and name HG1%)
(( segid "SH3 " and resid 313 and name HA ))
3.800 1.800 1.800 peak 369 weight 0.10000E+01 volume 0.12556E-02 ppm1 0.860 ppm2 4.980 CV 1
ASSI { 366}
( segid "SH3 " and resid 314 and name HG2%)
(( segid "SH3 " and resid 323 and name HN ))
5.100 2.400 0.900 peak 366 weight 0.10000E+01 volume 0.51502E-03 ppm1 0.850 ppm2 9.010 CV 1
ASSI { 666}
(( segid "SH3 " and resid 333 and name HA1 ))
(( segid "SH3 " and resid 341 and name HA ))
5.000 2.400 1.000 peak 666 weight 0.10000E+01 volume 0.46499E-03 ppm1 4.240 ppm2 5.150 CV 1
ASSI { 671}
(( segid "SH3 " and resid 333 and name HA2 ))
( segid "SH3 " and resid 331 and name HG1%)
4.200 2.000 1.800 peak 671 weight 0.10000E+01 volume 0.87995E-03 ppm1 3.910 ppm2 0.280 CV 1
ASSI { 661}
(( segid "SH3 " and resid 333 and name HA2 ))
(( segid "SH3 " and resid 333 and name HN ))
2.800 1.400 1.400 peak 661 weight 0.10000E+01 volume 0.26192E-02 ppm1 3.910 ppm2 6.990 CV 1
ASSI { 548}
(( segid "SH3 " and resid 326 and name HA1 ))
(( segid "SH3 " and resid 327 and name HN ))
3.200 1.600 1.600 peak 548 weight 0.10000E+01 volume 0.18344E-02 ppm1 4.370 ppm2 8.500 CV 1
ASSI { 554}
(( segid "SH3 " and resid 326 and name HA2 ))
(( segid "SH3 " and resid 325 and name HD2 ))
3.800 2.200 2.200 peak 554 weight 0.10000E+01 volume 0.66411E-03 ppm1 3.450 ppm2 1.130 CV 1
ASSI { 662}
(( segid "SH3 " and resid 333 and name HA1 ))
(( segid "SH3 " and resid 333 and name HN ))
2.700 1.500 1.500 peak 662 weight 0.10000E+01 volume 0.24034E-02 ppm1 4.250 ppm2 6.990 CV 1
ASSI { 547}
(( segid "SH3 " and resid 326 and name HA1 ))
(( segid "SH3 " and resid 326 and name HN ))
2.800 1.200 1.200 peak 547 weight 0.10000E+01 volume 0.51698E-02 ppm1 4.370 ppm2 8.950 CV 1
ASSI { 550}
(( segid "SH3 " and resid 326 and name HA2 ))
(( segid "SH3 " and resid 309 and name HN ))
3.900 2.300 2.100 peak 550 weight 0.10000E+01 volume 0.54641E-03 ppm1 3.450 ppm2 8.350 CV 1
ASSI { 555}
(( segid "SH3 " and resid 326 and name HA1 ))
(( segid "SH3 " and resid 325 and name HD2 ))
3.800 2.200 2.200 peak 555 weight 0.10000E+01 volume 0.60037E-03 ppm1 4.370 ppm2 1.120 CV 1
OR { 555}
(( segid "SH3 " and resid 326 and name HA1 ))
(( segid "SH3 " and resid 325 and name HD1 ))
ASSI { 557}
(( segid "SH3 " and resid 326 and name HA1 ))
( segid "SH3 " and resid 308 and name HG2%)
3.600 1.400 1.400 peak 557 weight 0.10000E+01 volume 0.28350E-02 ppm1 4.370 ppm2 0.810 CV 1
ASSI { 1306}
(( segid "SH3 " and resid 333 and name HA1 ))
( segid "SH3 " and resid 331 and name HG1%)
4.200 2.000 1.800 peak 1306 weight 0.10000E+01 volume 0.83087E-03 ppm1 4.260 ppm2 0.280 CV 1
ASSI { 658}
(( segid "SH3 " and resid 333 and name HA2 ))
(( segid "SH3 " and resid 342 and name HN ))
5.000 2.500 1.000 peak 658 weight 0.10000E+01 volume 0.40122E-03 ppm1 3.920 ppm2 8.120 CV 1
ASSI { 552}
(( segid "SH3 " and resid 326 and name HA1 ))
( segid "SH3 " and resid 309 and name HB% )
4.700 2.100 1.300 peak 552 weight 0.10000E+01 volume 0.74358E-03 ppm1 4.370 ppm2 1.560 CV 1
ASSI { 1308}
(( segid "SH3 " and resid 326 and name HA1 ))
(( segid "SH3 " and resid 325 and name HB2 ))
4.300 2.400 1.700 peak 1308 weight 0.10000E+01 volume 0.48264E-03 ppm1 4.380 ppm2 1.660 CV 1
OR { 1308}
(( segid "SH3 " and resid 326 and name HA1 ))
(( segid "SH3 " and resid 325 and name HB1 ))
ASSI { 664}
(( segid "SH3 " and resid 333 and name HA2 ))
(( segid "SH3 " and resid 334 and name HA ))
4.800 2.700 1.200 peak 664 weight 0.10000E+01 volume 0.32078E-03 ppm1 3.900 ppm2 5.480 CV 1
ASSI { 1307}
(( segid "SH3 " and resid 326 and name HA2 ))
(( segid "SH3 " and resid 325 and name HB2 ))
4.400 2.100 1.600 peak 1307 weight 0.10000E+01 volume 0.69456E-03 ppm1 3.450 ppm2 1.680 CV 1
OR { 1307}
(( segid "SH3 " and resid 326 and name HA2 ))
(( segid "SH3 " and resid 325 and name HB1 ))
ASSI { 553}
(( segid "SH3 " and resid 326 and name HA2 ))
( segid "SH3 " and resid 309 and name HB% )
4.300 2.100 1.700 peak 553 weight 0.10000E+01 volume 0.70141E-03 ppm1 3.440 ppm2 1.550 CV 1
ASSI { 136}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 326 and name HA1 ))
5.000 2.200 1.000 peak 136 weight 0.10000E+01 volume 0.60920E-03 ppm1 0.770 ppm2 4.360 CV 1
ASSI { 133}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 357 and name HA ))
4.400 2.300 1.600 peak 133 weight 0.10000E+01 volume 0.52679E-03 ppm1 0.760 ppm2 5.420 CV 1
ASSI { 132}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 309 and name HN ))
3.800 1.700 1.700 peak 132 weight 0.10000E+01 volume 0.14224E-02 ppm1 0.770 ppm2 8.370 CV 1
ASSI { 141}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 308 and name HB ))
2.300 1.000 1.000 peak 141 weight 0.10000E+01 volume 0.73379E-02 ppm1 0.770 ppm2 1.690 CV 1
ASSI { 137}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 310 and name HA ))
3.200 1.500 1.500 peak 137 weight 0.10000E+01 volume 0.20699E-02 ppm1 0.770 ppm2 3.920 CV 1
ASSI { 135}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 309 and name HA ))
4.000 2.400 2.000 peak 135 weight 0.10000E+01 volume 0.50324E-03 ppm1 0.760 ppm2 4.690 CV 1
ASSI { 134}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 308 and name HA ))
3.000 1.300 1.300 peak 134 weight 0.10000E+01 volume 0.38847E-02 ppm1 0.770 ppm2 5.230 CV 1
ASSI { 130}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 326 and name HN ))
4.500 2.400 1.500 peak 130 weight 0.10000E+01 volume 0.46891E-03 ppm1 0.760 ppm2 8.960 CV 1
ASSI { 138}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 326 and name HA2 ))
3.700 1.900 1.900 peak 138 weight 0.10000E+01 volume 0.10791E-02 ppm1 0.770 ppm2 3.440 CV 1
ASSI { 1239}
(( segid "SH3 " and resid 307 and name HB1 ))
( segid "SH3 " and resid 308 and name HG1%)
5.100 2.600 0.900 peak 1239 weight 0.10000E+01 volume 0.37768E-03 ppm1 2.710 ppm2 0.780 CV 1
OR { 1239}
(( segid "SH3 " and resid 307 and name HB2 ))
( segid "SH3 " and resid 308 and name HG1%)
ASSI { 81}
(( segid "SH3 " and resid 307 and name HB1 ))
( segid "SH3 " and resid 357 and name HG2%)
3.600 1.700 1.700 peak 81 weight 0.10000E+01 volume 0.15107E-02 ppm1 2.690 ppm2 0.630 CV 1
OR { 81}
(( segid "SH3 " and resid 307 and name HB2 ))
( segid "SH3 " and resid 357 and name HG2%)
ASSI { 79}
(( segid "SH3 " and resid 307 and name HB2 ))
(( segid "SH3 " and resid 329 and name HB2 ))
3.500 2.400 2.400 peak 79 weight 0.10000E+01 volume 0.49540E-03 ppm1 2.730 ppm2 1.280 CV 1
OR { 79}
(( segid "SH3 " and resid 307 and name HB1 ))
(( segid "SH3 " and resid 329 and name HB2 ))
ASSI { 74}
(( segid "SH3 " and resid 307 and name HB1 ))
( segid "SH3 " and resid 307 and name HD% )
2.700 1.500 1.500 peak 74 weight 0.10000E+01 volume 0.20797E-02 ppm1 2.720 ppm2 6.910 CV 1
OR { 74}
(( segid "SH3 " and resid 307 and name HB2 ))
( segid "SH3 " and resid 307 and name HD% )
ASSI { 128}
( segid "SH3 " and resid 308 and name HG1%)
(( segid "SH3 " and resid 329 and name HN ))
5.200 2.500 0.800 peak 128 weight 0.10000E+01 volume 0.41398E-03 ppm1 0.760 ppm2 9.160 CV 1
ASSI { 1528}
( segid "SH3 " and resid 358 and name HG2%)
(( segid "SH3 " and resid 357 and name HA ))
3.800 2.000 2.000 peak 1528 weight 0.10000E+01 volume 0.90446E-03 ppm1 1.090 ppm2 5.430 CV 1
ASSI { 1529}
( segid "SH3 " and resid 358 and name HG2%)
(( segid "SH3 " and resid 358 and name HA ))
3.300 1.500 1.500 peak 1529 weight 0.10000E+01 volume 0.20895E-02 ppm1 1.090 ppm2 5.260 CV 1
ASSI { 1531}
( segid "SH3 " and resid 358 and name HG2%)
( segid "SH3 " and resid 308 and name HG1%)
2.300 1.000 1.000 peak 1531 weight 0.10000E+01 volume 0.73673E-02 ppm1 1.090 ppm2 0.770 CV 1
ASSI { 181}
( segid "SH3 " and resid 358 and name HG2%)
(( segid "SH3 " and resid 309 and name HA ))
3.400 1.700 1.700 peak 181 weight 0.10000E+01 volume 0.16285E-02 ppm1 1.090 ppm2 4.720 CV 1
ASSI { 68}
(( segid "SH3 " and resid 307 and name HB1 ))
( segid "SH3 " and resid 307 and name HE% )
5.000 2.600 1.000 peak 68 weight 0.10000E+01 volume 0.38259E-03 ppm1 2.690 ppm2 7.340 CV 1
OR { 68}
(( segid "SH3 " and resid 307 and name HB2 ))
( segid "SH3 " and resid 307 and name HE% )
ASSI { 189}
(( segid "SH3 " and resid 310 and name HB2 ))
(( segid "SH3 " and resid 356 and name HA ))
3.400 2.200 2.200 peak 189 weight 0.10000E+01 volume 0.61605E-03 ppm1 0.480 ppm2 4.730 CV 1
ASSI { 185}
(( segid "SH3 " and resid 310 and name HB2 ))
( segid "SH3 " and resid 311 and name HE% )
3.200 1.800 1.800 peak 185 weight 0.10000E+01 volume 0.11674E-02 ppm1 0.480 ppm2 6.600 CV 1
ASSI { 194}
(( segid "SH3 " and resid 310 and name HB2 ))
(( segid "SH3 " and resid 310 and name HG ))
2.900 1.600 1.600 peak 194 weight 0.10000E+01 volume 0.18835E-02 ppm1 0.480 ppm2 1.110 CV 1
ASSI { 188}
(( segid "SH3 " and resid 310 and name HB1 ))
(( segid "SH3 " and resid 356 and name HA ))
4.300 2.100 1.700 peak 188 weight 0.10000E+01 volume 0.76419E-03 ppm1 0.960 ppm2 4.730 CV 1
ASSI { 1050}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 351 and name HA ))
4.300 1.900 1.700 peak 1050 weight 0.10000E+01 volume 0.10791E-02 ppm1 0.570 ppm2 5.450 CV 1
ASSI { 1471}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 353 and name HD2 ))
4.000 1.900 1.900 peak 1471 weight 0.10000E+01 volume 0.99078E-03 ppm1 0.570 ppm2 1.990 CV 1
ASSI { 1472}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 352 and name HB ))
2.200 1.100 1.100 peak 1472 weight 0.10000E+01 volume 0.56997E-02 ppm1 0.570 ppm2 1.700 CV 1
ASSI { 1470}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 341 and name HB2 ))
2.900 1.800 1.800 peak 1470 weight 0.10000E+01 volume 0.12655E-02 ppm1 0.570 ppm2 2.180 CV 1
ASSI { 1467}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 356 and name HB2 ))
4.300 2.200 1.700 peak 1467 weight 0.10000E+01 volume 0.64843E-03 ppm1 0.570 ppm2 3.200 CV 1
ASSI { 1473}
( segid "SH3 " and resid 352 and name HG2%)
( segid "SH3 " and resid 357 and name HD1%)
3.100 1.400 1.400 peak 1473 weight 0.10000E+01 volume 0.30116E-02 ppm1 0.570 ppm2 0.230 CV 1
ASSI { 1468}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 342 and name HA ))
4.100 2.300 1.900 peak 1468 weight 0.10000E+01 volume 0.58763E-03 ppm1 0.570 ppm2 3.420 CV 1
ASSI { 1477}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 351 and name HE3 ))
4.200 2.100 1.800 peak 1477 weight 0.10000E+01 volume 0.77794E-03 ppm1 0.560 ppm2 7.360 CV 1
ASSI { 1046}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 352 and name HN ))
2.300 1.200 1.200 peak 1046 weight 0.10000E+01 volume 0.46302E-02 ppm1 0.570 ppm2 9.720 CV 1
ASSI { 1476}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 352 and name HA ))
3.300 1.700 1.700 peak 1476 weight 0.10000E+01 volume 0.14421E-02 ppm1 0.570 ppm2 4.790 CV 1
ASSI { 1475}
( segid "SH3 " and resid 352 and name HG2%)
(( segid "SH3 " and resid 354 and name HA ))
4.300 2.200 1.700 peak 1475 weight 0.10000E+01 volume 0.69060E-03 ppm1 0.570 ppm2 3.990 CV 1
ASSI { 1223}
(( segid "SH3 " and resid 306 and name HB1 ))
( segid "SH3 " and resid 306 and name HD2%)
2.800 1.400 1.400 peak 1223 weight 0.10000E+01 volume 0.29724E-02 ppm1 1.700 ppm2 0.860 CV 1
OR { 1223}
(( segid "SH3 " and resid 306 and name HB2 ))
( segid "SH3 " and resid 306 and name HD2%)
ASSI { 1224}
(( segid "SH3 " and resid 306 and name HB2 ))
( segid "SH3 " and resid 306 and name HD1%)
3.000 1.500 1.500 peak 1224 weight 0.10000E+01 volume 0.21091E-02 ppm1 1.710 ppm2 0.960 CV 1
OR { 1224}
(( segid "SH3 " and resid 306 and name HB1 ))
( segid "SH3 " and resid 306 and name HD1%)
ASSI { 353}
( segid "SH3 " and resid 315 and name HB% )
( segid "SH3 " and resid 313 and name HE% )
3.200 1.700 1.700 peak 353 weight 0.10000E+01 volume 0.14518E-02 ppm1 1.300 ppm2 7.500 CV 1
ASSI { 160}
( segid "SH3 " and resid 309 and name HB% )
(( segid "SH3 " and resid 327 and name HB2 ))
3.800 1.700 1.700 peak 160 weight 0.10000E+01 volume 0.14421E-02 ppm1 1.550 ppm2 2.320 CV 1
ASSI { 157}
( segid "SH3 " and resid 309 and name HB% )
(( segid "SH3 " and resid 327 and name HA ))
4.300 2.000 1.700 peak 157 weight 0.10000E+01 volume 0.81321E-03 ppm1 1.550 ppm2 4.330 CV 1
ASSI { 1641}
( segid "SH3 " and resid 315 and name HB% )
(( segid "SH3 " and resid 322 and name HN ))
2.400 1.300 1.300 peak 1641 weight 0.10000E+01 volume 0.32471E-02 ppm1 1.300 ppm2 8.130 CV 1
ASSI { 1610}
( segid "SH3 " and resid 309 and name HB% )
(( segid "SH3 " and resid 325 and name HA ))
2.400 1.200 1.200 peak 1610 weight 0.10000E+01 volume 0.51207E-02 ppm1 1.550 ppm2 3.280 CV 1
ASSI { 1606}
( segid "SH3 " and resid 309 and name HB% )
(( segid "SH3 " and resid 326 and name HN ))
2.500 1.200 1.200 peak 1606 weight 0.10000E+01 volume 0.49638E-02 ppm1 1.550 ppm2 8.950 CV 1
ASSI { 1644}
( segid "SH3 " and resid 315 and name HB% )
(( segid "SH3 " and resid 322 and name HA ))
3.000 1.700 1.700 peak 1644 weight 0.10000E+01 volume 0.15402E-02 ppm1 1.300 ppm2 5.060 CV 1
ASSI { 1613}
( segid "SH3 " and resid 309 and name HB% )
( segid "SH3 " and resid 329 and name HD2%)
2.800 1.100 1.100 peak 1613 weight 0.10000E+01 volume 0.58661E-02 ppm1 1.550 ppm2 0.640 CV 1
ASSI { 1643}
( segid "SH3 " and resid 315 and name HB% )
(( segid "SH3 " and resid 322 and name HB1 ))
3.200 1.400 1.400 peak 1643 weight 0.10000E+01 volume 0.25604E-02 ppm1 1.300 ppm2 4.030 CV 1
ASSI { 1608}
( segid "SH3 " and resid 309 and name HB% )
(( segid "SH3 " and resid 308 and name HA ))
3.700 1.700 1.700 peak 1608 weight 0.10000E+01 volume 0.16186E-02 ppm1 1.550 ppm2 5.240 CV 1
ASSI { 161}
( segid "SH3 " and resid 309 and name HB% )
(( segid "SH3 " and resid 327 and name HG2 ))
3.900 1.600 1.600 peak 161 weight 0.10000E+01 volume 0.18148E-02 ppm1 1.550 ppm2 2.100 CV 1
OR { 161}
( segid "SH3 " and resid 309 and name HB% )
(( segid "SH3 " and resid 327 and name HG1 ))
ASSI { 1614}
( segid "SH3 " and resid 309 and name HB% )
( segid "SH3 " and resid 323 and name HD1%)
2.200 1.000 1.000 peak 1614 weight 0.10000E+01 volume 0.81129E-02 ppm1 1.560 ppm2 0.840 CV 1
ASSI { 702}
(( segid "SH3 " and resid 334 and name HB2 ))
(( segid "SH3 " and resid 338 and name HA2 ))
4.400 2.000 1.600 peak 702 weight 0.10000E+01 volume 0.84559E-03 ppm1 2.970 ppm2 3.700 CV 1
ASSI { 692}
(( segid "SH3 " and resid 334 and name HB1 ))
(( segid "SH3 " and resid 335 and name HN ))
2.800 1.700 1.700 peak 692 weight 0.10000E+01 volume 0.13537E-02 ppm1 3.280 ppm2 8.910 CV 1
ASSI { 695}
(( segid "SH3 " and resid 334 and name HB2 ))
( segid "SH3 " and resid 334 and name HD% )
3.000 1.500 1.500 peak 695 weight 0.10000E+01 volume 0.20209E-02 ppm1 2.970 ppm2 7.100 CV 1
ASSI { 1339}
(( segid "SH3 " and resid 330 and name HD2 ))
(( segid "SH3 " and resid 344 and name HB1 ))
3.900 2.000 2.000 peak 1339 weight 0.10000E+01 volume 0.91822E-03 ppm1 3.140 ppm2 1.990 CV 1
OR { 1339}
(( segid "SH3 " and resid 330 and name HD1 ))
(( segid "SH3 " and resid 344 and name HB1 ))
ASSI { 1338}
(( segid "SH3 " and resid 330 and name HD2 ))
(( segid "SH3 " and resid 330 and name HB1 ))
2.300 1.100 1.100 peak 1338 weight 0.10000E+01 volume 0.72100E-02 ppm1 3.140 ppm2 1.650 CV 1
OR { 1338}
(( segid "SH3 " and resid 330 and name HD2 ))
(( segid "SH3 " and resid 330 and name HB2 ))
OR { 1338}
(( segid "SH3 " and resid 330 and name HD1 ))
(( segid "SH3 " and resid 330 and name HB1 ))
OR { 1338}
(( segid "SH3 " and resid 330 and name HD1 ))
(( segid "SH3 " and resid 330 and name HB2 ))
ASSI { 1337}
(( segid "SH3 " and resid 330 and name HD1 ))
(( segid "SH3 " and resid 330 and name HG2 ))
2.500 1.200 1.200 peak 1337 weight 0.10000E+01 volume 0.46891E-02 ppm1 3.140 ppm2 1.440 CV 1
OR { 1337}
(( segid "SH3 " and resid 330 and name HD2 ))
(( segid "SH3 " and resid 330 and name HG1 ))
OR { 1337}
(( segid "SH3 " and resid 330 and name HD2 ))
(( segid "SH3 " and resid 330 and name HG2 ))
OR { 1337}
(( segid "SH3 " and resid 330 and name HD1 ))
(( segid "SH3 " and resid 330 and name HG1 ))
ASSI { 1331}
(( segid "SH3 " and resid 330 and name HD2 ))
(( segid "SH3 " and resid 330 and name HA ))
3.900 1.900 1.900 peak 1331 weight 0.10000E+01 volume 0.10497E-02 ppm1 3.140 ppm2 5.120 CV 1
OR { 1331}
(( segid "SH3 " and resid 330 and name HD1 ))
(( segid "SH3 " and resid 330 and name HA ))
ASSI { 1340}
(( segid "SH3 " and resid 330 and name HD2 ))
(( segid "SH3 " and resid 331 and name HN ))
5.200 2.500 0.800 peak 1340 weight 0.10000E+01 volume 0.41103E-03 ppm1 3.130 ppm2 8.570 CV 1
OR { 1340}
(( segid "SH3 " and resid 330 and name HD1 ))
(( segid "SH3 " and resid 331 and name HN ))
ASSI { 799}
(( segid "SH3 " and resid 351 and name HZ2 ))
(( segid "SH3 " and resid 351 and name HH2 ))
2.600 1.200 1.200 peak 799 weight 0.10000E+01 volume 0.44635E-02 ppm1 7.350 ppm2 6.880 CV 1
ASSI { 505}
( segid "SH3 " and resid 323 and name HG2%)
( segid "SH3 " and resid 309 and name HB% )
3.400 1.200 1.200 peak 505 weight 0.10000E+01 volume 0.42771E-02 ppm1 0.860 ppm2 1.550 CV 1
ASSI { 1597}
( segid "SH3 " and resid 323 and name HG2%)
( segid "SH3 " and resid 345 and name HG2%)
2.800 1.100 1.100 peak 1597 weight 0.10000E+01 volume 0.56799E-02 ppm1 0.860 ppm2 1.220 CV 1
ASSI { 495}
( segid "SH3 " and resid 323 and name HG2%)
(( segid "SH3 " and resid 323 and name HN ))
3.000 1.400 1.400 peak 495 weight 0.10000E+01 volume 0.29037E-02 ppm1 0.860 ppm2 9.010 CV 1
ASSI { 506}
( segid "SH3 " and resid 323 and name HG2%)
(( segid "SH3 " and resid 321 and name HG ))
2.500 1.200 1.200 peak 506 weight 0.10000E+01 volume 0.46106E-02 ppm1 0.860 ppm2 1.430 CV 1
ASSI { 497}
( segid "SH3 " and resid 323 and name HG2%)
( segid "SH3 " and resid 313 and name HD% )
4.400 2.100 1.600 peak 497 weight 0.10000E+01 volume 0.73379E-03 ppm1 0.860 ppm2 7.370 CV 1
ASSI { 500}
( segid "SH3 " and resid 323 and name HG2%)
(( segid "SH3 " and resid 313 and name HB1 ))
5.900 2.300 0.100 peak 500 weight 0.10000E+01 volume 0.56997E-03 ppm1 0.850 ppm2 3.040 CV 1
ASSI { 501}
( segid "SH3 " and resid 323 and name HG2%)
(( segid "SH3 " and resid 327 and name HB1 ))
4.300 2.400 1.700 peak 501 weight 0.10000E+01 volume 0.48559E-03 ppm1 0.860 ppm2 2.510 CV 1
ASSI { 503}
( segid "SH3 " and resid 323 and name HG2%)
(( segid "SH3 " and resid 327 and name HG2 ))
4.000 2.000 2.000 peak 503 weight 0.10000E+01 volume 0.81615E-03 ppm1 0.850 ppm2 2.100 CV 1
OR { 503}
( segid "SH3 " and resid 323 and name HG2%)
(( segid "SH3 " and resid 327 and name HG1 ))
ASSI { 245}
(( segid "SH3 " and resid 311 and name HB2 ))
(( segid "SH3 " and resid 311 and name HA ))
3.000 1.500 1.500 peak 245 weight 0.10000E+01 volume 0.21778E-02 ppm1 2.190 ppm2 4.760 CV 1
ASSI { 246}
(( segid "SH3 " and resid 311 and name HB1 ))
(( segid "SH3 " and resid 311 and name HA ))
2.400 1.300 1.300 peak 246 weight 0.10000E+01 volume 0.33648E-02 ppm1 3.130 ppm2 4.770 CV 1
ASSI { 243}
(( segid "SH3 " and resid 311 and name HB2 ))
( segid "SH3 " and resid 311 and name HD% )
2.700 1.400 1.400 peak 243 weight 0.10000E+01 volume 0.28841E-02 ppm1 2.190 ppm2 6.590 CV 1
ASSI { 244}
(( segid "SH3 " and resid 311 and name HB1 ))
( segid "SH3 " and resid 311 and name HD% )
2.600 1.400 1.400 peak 244 weight 0.10000E+01 volume 0.31097E-02 ppm1 3.130 ppm2 6.590 CV 1
ASSI { 248}
(( segid "SH3 " and resid 311 and name HB2 ))
(( segid "SH3 " and resid 325 and name HB1 ))
5.300 2.700 0.700 peak 248 weight 0.10000E+01 volume 0.33648E-03 ppm1 2.190 ppm2 1.640 CV 1
OR { 248}
(( segid "SH3 " and resid 311 and name HB2 ))
(( segid "SH3 " and resid 325 and name HB2 ))
ASSI { 1508}
(( segid "SH3 " and resid 357 and name HB ))
(( segid "SH3 " and resid 308 and name HN ))
3.800 2.200 2.200 peak 1508 weight 0.10000E+01 volume 0.62879E-03 ppm1 1.730 ppm2 9.460 CV 1
ASSI { 1514}
(( segid "SH3 " and resid 357 and name HB ))
(( segid "SH3 " and resid 307 and name HB1 ))
2.900 1.600 1.600 peak 1514 weight 0.10000E+01 volume 0.18442E-02 ppm1 1.730 ppm2 2.700 CV 1
OR { 1514}
(( segid "SH3 " and resid 357 and name HB ))
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 1510}
(( segid "SH3 " and resid 357 and name HB ))
( segid "SH3 " and resid 307 and name HD% )
3.500 1.800 1.800 peak 1510 weight 0.10000E+01 volume 0.11380E-02 ppm1 1.730 ppm2 6.920 CV 1
ASSI { 1512}
(( segid "SH3 " and resid 357 and name HB ))
(( segid "SH3 " and resid 307 and name HA ))
4.600 2.500 1.400 peak 1512 weight 0.10000E+01 volume 0.45419E-03 ppm1 1.730 ppm2 5.230 CV 1
ASSI { 1513}
(( segid "SH3 " and resid 357 and name HB ))
(( segid "SH3 " and resid 309 and name HA ))
4.300 2.500 1.700 peak 1513 weight 0.10000E+01 volume 0.45224E-03 ppm1 1.720 ppm2 4.670 CV 1
ASSI { 1164}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 356 and name HB2 ))
2.900 1.800 1.800 peak 1164 weight 0.10000E+01 volume 0.13440E-02 ppm1 0.630 ppm2 3.190 CV 1
ASSI { 1167}
( segid "SH3 " and resid 357 and name HG2%)
( segid "SH3 " and resid 331 and name HG2%)
3.800 1.900 1.900 peak 1167 weight 0.10000E+01 volume 0.10006E-02 ppm1 0.630 ppm2 -0.090 CV 1
ASSI { 1166}
( segid "SH3 " and resid 357 and name HG2%)
( segid "SH3 " and resid 357 and name HD1%)
2.800 1.000 1.000 peak 1166 weight 0.10000E+01 volume 0.94861E-02 ppm1 0.630 ppm2 0.220 CV 1
ASSI { 1162}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 309 and name HA ))
2.400 1.100 1.100 peak 1162 weight 0.10000E+01 volume 0.61899E-02 ppm1 0.630 ppm2 4.680 CV 1
ASSI { 1159}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 310 and name HN ))
3.400 1.600 1.600 peak 1159 weight 0.10000E+01 volume 0.19031E-02 ppm1 0.630 ppm2 9.490 CV 1
ASSI { 294}
(( segid "SH3 " and resid 313 and name HB2 ))
( segid "SH3 " and resid 356 and name HD% )
4.000 1.800 1.800 peak 294 weight 0.10000E+01 volume 0.12556E-02 ppm1 3.180 ppm2 7.000 CV 1
ASSI { 1397}
(( segid "SH3 " and resid 332 and name HB2 ))
(( segid "SH3 " and resid 333 and name HA2 ))
3.900 2.500 2.100 peak 1397 weight 0.10000E+01 volume 0.43752E-03 ppm1 1.200 ppm2 3.940 CV 1
ASSI { 293}
(( segid "SH3 " and resid 313 and name HB2 ))
( segid "SH3 " and resid 313 and name HD% )
2.800 1.500 1.500 peak 293 weight 0.10000E+01 volume 0.20209E-02 ppm1 3.180 ppm2 7.380 CV 1
ASSI { 1394}
(( segid "SH3 " and resid 332 and name HB1 ))
( segid "SH3 " and resid 332 and name HD1%)
3.300 1.400 1.400 peak 1394 weight 0.10000E+01 volume 0.28252E-02 ppm1 1.390 ppm2 0.550 CV 1
ASSI { 1393}
(( segid "SH3 " and resid 332 and name HB2 ))
(( segid "SH3 " and resid 332 and name HA ))
3.100 1.600 1.600 peak 1393 weight 0.10000E+01 volume 0.17363E-02 ppm1 1.210 ppm2 4.260 CV 1
ASSI { 1388}
(( segid "SH3 " and resid 332 and name HB1 ))
(( segid "SH3 " and resid 332 and name HN ))
3.400 1.900 1.900 peak 1388 weight 0.10000E+01 volume 0.10791E-02 ppm1 1.400 ppm2 9.240 CV 1
ASSI { 1263}
(( segid "SH3 " and resid 313 and name HB2 ))
( segid "SH3 " and resid 313 and name HE% )
4.300 2.200 1.700 peak 1263 weight 0.10000E+01 volume 0.60722E-03 ppm1 3.190 ppm2 7.480 CV 1
ASSI { 1391}
(( segid "SH3 " and resid 332 and name HB2 ))
(( segid "SH3 " and resid 333 and name HN ))
4.100 2.200 1.900 peak 1391 weight 0.10000E+01 volume 0.60920E-03 ppm1 1.220 ppm2 6.980 CV 1
ASSI { 295}
(( segid "SH3 " and resid 313 and name HB1 ))
( segid "SH3 " and resid 356 and name HE% )
3.600 1.900 1.900 peak 295 weight 0.10000E+01 volume 0.10300E-02 ppm1 3.030 ppm2 6.950 CV 1
ASSI { 292}
(( segid "SH3 " and resid 313 and name HB1 ))
( segid "SH3 " and resid 313 and name HD% )
2.700 1.600 1.600 peak 292 weight 0.10000E+01 volume 0.18835E-02 ppm1 3.030 ppm2 7.380 CV 1
ASSI { 1390}
(( segid "SH3 " and resid 332 and name HB1 ))
(( segid "SH3 " and resid 333 and name HN ))
4.400 2.100 1.600 peak 1390 weight 0.10000E+01 volume 0.70532E-03 ppm1 1.400 ppm2 6.990 CV 1
ASSI { 307}
(( segid "SH3 " and resid 313 and name HB1 ))
(( segid "SH3 " and resid 314 and name HN ))
4.900 2.500 1.100 peak 307 weight 0.10000E+01 volume 0.42673E-03 ppm1 3.020 ppm2 7.910 CV 1
ASSI { 1158}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 357 and name HB ))
2.200 1.100 1.100 peak 1158 weight 0.10000E+01 volume 0.67492E-02 ppm1 0.630 ppm2 1.730 CV 1
ASSI { 1155}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 357 and name HA ))
2.300 1.100 1.100 peak 1155 weight 0.10000E+01 volume 0.58860E-02 ppm1 0.630 ppm2 5.430 CV 1
ASSI { 1156}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 356 and name HB1 ))
3.100 1.800 1.800 peak 1156 weight 0.10000E+01 volume 0.12066E-02 ppm1 0.630 ppm2 3.330 CV 1
ASSI { 1152}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 309 and name HN ))
4.000 2.100 2.000 peak 1152 weight 0.10000E+01 volume 0.70436E-03 ppm1 0.630 ppm2 8.370 CV 1
ASSI { 1157}
( segid "SH3 " and resid 357 and name HG2%)
(( segid "SH3 " and resid 341 and name HB1 ))
5.100 2.500 0.900 peak 1157 weight 0.10000E+01 volume 0.41888E-03 ppm1 0.640 ppm2 2.390 CV 1
ASSI { 1272}
(( segid "SH3 " and resid 318 and name HB2 ))
(( segid "SH3 " and resid 318 and name HA ))
3.000 1.400 1.400 peak 1272 weight 0.10000E+01 volume 0.29920E-02 ppm1 2.550 ppm2 4.450 CV 1
ASSI { 1275}
(( segid "SH3 " and resid 318 and name HB2 ))
( segid "SH3 " and resid 320 and name HG2%)
5.400 2.700 0.600 peak 1275 weight 0.10000E+01 volume 0.34433E-03 ppm1 2.570 ppm2 1.280 CV 1
ASSI { 1271}
(( segid "SH3 " and resid 318 and name HB1 ))
(( segid "SH3 " and resid 318 and name HA ))
2.600 1.400 1.400 peak 1271 weight 0.10000E+01 volume 0.30705E-02 ppm1 2.660 ppm2 4.440 CV 1
ASSI { 1628}
(( segid "SH3 " and resid 347 and name HB1 ))
( segid "SH3 " and resid 321 and name HD1%)
3.500 2.100 2.100 peak 1628 weight 0.10000E+01 volume 0.80047E-03 ppm1 2.910 ppm2 0.660 CV 1
ASSI { 975}
(( segid "SH3 " and resid 347 and name HB2 ))
(( segid "SH3 " and resid 347 and name HA ))
3.100 1.500 1.500 peak 975 weight 0.10000E+01 volume 0.22955E-02 ppm1 2.630 ppm2 4.870 CV 1
ASSI { 976}
(( segid "SH3 " and resid 347 and name HB1 ))
(( segid "SH3 " and resid 347 and name HA ))
2.800 1.300 1.300 peak 976 weight 0.10000E+01 volume 0.34138E-02 ppm1 2.900 ppm2 4.870 CV 1
ASSI { 1627}
(( segid "SH3 " and resid 347 and name HB2 ))
( segid "SH3 " and resid 321 and name HD1%)
3.600 2.000 2.000 peak 1627 weight 0.10000E+01 volume 0.93390E-03 ppm1 2.630 ppm2 0.660 CV 1
ASSI { 974}
(( segid "SH3 " and resid 347 and name HB1 ))
(( segid "SH3 " and resid 347 and name HD22))
4.800 2.400 1.200 peak 974 weight 0.10000E+01 volume 0.49540E-03 ppm1 2.890 ppm2 6.910 CV 1
ASSI { 472}
(( segid "SH3 " and resid 322 and name HB2 ))
( segid "SH3 " and resid 315 and name HB% )
4.500 2.200 1.500 peak 472 weight 0.10000E+01 volume 0.64939E-03 ppm1 3.850 ppm2 1.290 CV 1
ASSI { 463}
(( segid "SH3 " and resid 322 and name HB2 ))
(( segid "SH3 " and resid 323 and name HN ))
4.000 2.000 2.000 peak 463 weight 0.10000E+01 volume 0.83676E-03 ppm1 3.840 ppm2 9.010 CV 1
ASSI { 465}
(( segid "SH3 " and resid 322 and name HB1 ))
(( segid "SH3 " and resid 315 and name HN ))
3.300 2.300 2.300 peak 465 weight 0.10000E+01 volume 0.59544E-03 ppm1 4.030 ppm2 8.310 CV 1
ASSI { 464}
(( segid "SH3 " and resid 322 and name HB1 ))
(( segid "SH3 " and resid 323 and name HN ))
4.000 1.900 1.900 peak 464 weight 0.10000E+01 volume 0.11183E-02 ppm1 4.030 ppm2 9.010 CV 1
ASSI { 469}
(( segid "SH3 " and resid 322 and name HB2 ))
(( segid "SH3 " and resid 322 and name HA ))
2.900 1.600 1.600 peak 469 weight 0.10000E+01 volume 0.19914E-02 ppm1 3.840 ppm2 5.060 CV 1
ASSI { 473}
(( segid "SH3 " and resid 322 and name HB1 ))
( segid "SH3 " and resid 314 and name HG2%)
3.800 2.100 2.100 peak 473 weight 0.10000E+01 volume 0.79362E-03 ppm1 4.030 ppm2 0.850 CV 1
ASSI { 1096}
(( segid "SH3 " and resid 354 and name HB1 ))
( segid "SH3 " and resid 334 and name HD% )
4.000 2.400 2.000 peak 1096 weight 0.10000E+01 volume 0.51502E-03 ppm1 3.820 ppm2 7.100 CV 1
OR { 1096}
(( segid "SH3 " and resid 354 and name HB2 ))
( segid "SH3 " and resid 334 and name HD% )
ASSI { 1545}
(( segid "SH3 " and resid 361 and name HB2 ))
( segid "SH3 " and resid 360 and name HG2%)
3.400 2.600 2.600 peak 1545 weight 0.10000E+01 volume 0.37964E-03 ppm1 2.710 ppm2 0.820 CV 1
ASSI { 1546}
(( segid "SH3 " and resid 361 and name HB1 ))
(( segid "SH3 " and resid 361 and name HA ))
2.800 1.300 1.300 peak 1546 weight 0.10000E+01 volume 0.39436E-02 ppm1 2.780 ppm2 4.760 CV 1
ASSI { 1544}
(( segid "SH3 " and resid 361 and name HB1 ))
( segid "SH3 " and resid 360 and name HG2%)
3.300 2.500 2.500 peak 1544 weight 0.10000E+01 volume 0.43948E-03 ppm1 2.780 ppm2 0.840 CV 1
ASSI { 1547}
(( segid "SH3 " and resid 361 and name HB2 ))
(( segid "SH3 " and resid 361 and name HA ))
2.500 1.200 1.200 peak 1547 weight 0.10000E+01 volume 0.52875E-02 ppm1 2.700 ppm2 4.760 CV 1
ASSI { 641}
(( segid "SH3 " and resid 360 and name HA ))
(( segid "SH3 " and resid 360 and name HB ))
2.600 1.300 1.300 peak 641 weight 0.10000E+01 volume 0.34236E-02 ppm1 3.930 ppm2 1.860 CV 1
ASSI { 645}
(( segid "SH3 " and resid 360 and name HA ))
( segid "SH3 " and resid 360 and name HG2%)
2.400 1.000 1.000 peak 645 weight 0.10000E+01 volume 0.82108E-02 ppm1 3.930 ppm2 0.820 CV 1
ASSI { 642}
(( segid "SH3 " and resid 331 and name HA ))
(( segid "SH3 " and resid 331 and name HB ))
2.900 1.600 1.600 peak 642 weight 0.10000E+01 volume 0.17167E-02 ppm1 3.950 ppm2 1.540 CV 1
ASSI { 639}
(( segid "SH3 " and resid 331 and name HA ))
(( segid "SH3 " and resid 333 and name HN ))
3.600 1.900 1.900 peak 639 weight 0.10000E+01 volume 0.11183E-02 ppm1 3.950 ppm2 6.990 CV 1
ASSI { 644}
(( segid "SH3 " and resid 331 and name HA ))
( segid "SH3 " and resid 343 and name HB% )
3.700 1.600 1.600 peak 644 weight 0.10000E+01 volume 0.19914E-02 ppm1 3.950 ppm2 1.080 CV 1
ASSI { 640}
(( segid "SH3 " and resid 331 and name HA ))
(( segid "SH3 " and resid 343 and name HA ))
2.200 1.200 1.200 peak 640 weight 0.10000E+01 volume 0.43850E-02 ppm1 3.950 ppm2 5.190 CV 1
ASSI { 1143}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 309 and name HA ))
4.900 2.100 1.100 peak 1143 weight 0.10000E+01 volume 0.78972E-03 ppm1 0.220 ppm2 4.720 CV 1
ASSI { 1519}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 331 and name HB ))
3.700 1.700 1.700 peak 1519 weight 0.10000E+01 volume 0.16285E-02 ppm1 0.220 ppm2 1.550 CV 1
ASSI { 635}
(( segid "SH3 " and resid 331 and name HA ))
(( segid "SH3 " and resid 343 and name HN ))
4.800 2.700 1.200 peak 635 weight 0.10000E+01 volume 0.33648E-03 ppm1 3.950 ppm2 9.020 CV 1
ASSI { 643}
(( segid "SH3 " and resid 331 and name HA ))
(( segid "SH3 " and resid 342 and name HB1 ))
3.500 1.900 1.900 peak 643 weight 0.10000E+01 volume 0.10693E-02 ppm1 3.960 ppm2 1.320 CV 1
ASSI { 1141}
( segid "SH3 " and resid 357 and name HD1%)
( segid "SH3 " and resid 307 and name HD% )
2.600 1.400 1.400 peak 1141 weight 0.10000E+01 volume 0.30116E-02 ppm1 0.230 ppm2 6.920 CV 1
ASSI { 1148}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 357 and name HB ))
2.300 1.200 1.200 peak 1148 weight 0.10000E+01 volume 0.53169E-02 ppm1 0.220 ppm2 1.720 CV 1
ASSI { 1150}
( segid "SH3 " and resid 357 and name HD1%)
( segid "SH3 " and resid 331 and name HG2%)
2.200 1.000 1.000 peak 1150 weight 0.10000E+01 volume 0.81321E-02 ppm1 0.230 ppm2 -0.090 CV 1
ASSI { 1137}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 308 and name HN ))
4.300 2.200 1.700 peak 1137 weight 0.10000E+01 volume 0.68471E-03 ppm1 0.230 ppm2 9.450 CV 1
ASSI { 1144}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 354 and name HA ))
3.000 1.500 1.500 peak 1144 weight 0.10000E+01 volume 0.23053E-02 ppm1 0.220 ppm2 3.980 CV 1
ASSI { 1140}
( segid "SH3 " and resid 357 and name HD1%)
( segid "SH3 " and resid 307 and name HE% )
3.100 1.500 1.500 peak 1140 weight 0.10000E+01 volume 0.24623E-02 ppm1 0.230 ppm2 7.340 CV 1
ASSI { 1145}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 307 and name HB1 ))
3.000 1.400 1.400 peak 1145 weight 0.10000E+01 volume 0.25506E-02 ppm1 0.220 ppm2 2.710 CV 1
OR { 1145}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 11}
(( segid "SH3 " and resid 305 and name HB2 ))
(( segid "SH3 " and resid 331 and name HN ))
3.900 2.000 2.000 peak 11 weight 0.10000E+01 volume 0.88487E-03 ppm1 2.930 ppm2 8.560 CV 1
ASSI { 20}
(( segid "SH3 " and resid 305 and name HB1 ))
(( segid "SH3 " and resid 331 and name HB ))
4.000 2.300 2.000 peak 20 weight 0.10000E+01 volume 0.56112E-03 ppm1 3.090 ppm2 1.570 CV 1
ASSI { 14}
(( segid "SH3 " and resid 305 and name HB2 ))
( segid "SH3 " and resid 307 and name HE% )
5.000 2.600 1.000 peak 14 weight 0.10000E+01 volume 0.39141E-03 ppm1 2.930 ppm2 7.340 CV 1
ASSI { 16}
(( segid "SH3 " and resid 305 and name HB2 ))
(( segid "SH3 " and resid 305 and name HA ))
3.100 1.400 1.400 peak 16 weight 0.10000E+01 volume 0.27369E-02 ppm1 2.930 ppm2 4.910 CV 1
ASSI { 1136}
( segid "SH3 " and resid 357 and name HD1%)
(( segid "SH3 " and resid 307 and name HA ))
4.600 2.200 1.400 peak 1136 weight 0.10000E+01 volume 0.68081E-03 ppm1 0.230 ppm2 5.230 CV 1
ASSI { 8}
(( segid "SH3 " and resid 305 and name HB1 ))
( segid "SH3 " and resid 307 and name HE% )
4.800 2.500 1.200 peak 8 weight 0.10000E+01 volume 0.40613E-03 ppm1 3.080 ppm2 7.320 CV 1
ASSI { 10}
(( segid "SH3 " and resid 305 and name HB1 ))
(( segid "SH3 " and resid 305 and name HD22))
5.200 2.700 0.800 peak 10 weight 0.10000E+01 volume 0.32471E-03 ppm1 3.080 ppm2 6.990 CV 1
ASSI { 9}
(( segid "SH3 " and resid 305 and name HB2 ))
(( segid "SH3 " and resid 305 and name HD22))
4.700 2.300 1.300 peak 9 weight 0.10000E+01 volume 0.53954E-03 ppm1 2.920 ppm2 7.000 CV 1
ASSI { 740}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 353 and name HG1 ))
3.000 2.100 2.100 peak 740 weight 0.10000E+01 volume 0.78774E-03 ppm1 3.550 ppm2 0.420 CV 1
ASSI { 1054}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 352 and name HA ))
4.300 2.600 1.700 peak 1054 weight 0.10000E+01 volume 0.36297E-03 ppm1 3.550 ppm2 4.820 CV 1
ASSI { 741}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 353 and name HG2 ))
3.700 1.900 1.900 peak 741 weight 0.10000E+01 volume 0.11183E-02 ppm1 3.550 ppm2 0.240 CV 1
ASSI { 1055}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 354 and name HA ))
4.100 2.300 1.900 peak 1055 weight 0.10000E+01 volume 0.59646E-03 ppm1 3.550 ppm2 3.960 CV 1
ASSI { 739}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 353 and name HB1 ))
2.200 1.300 1.300 peak 739 weight 0.10000E+01 volume 0.40417E-02 ppm1 3.550 ppm2 1.330 CV 1
OR { 739}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 353 and name HB2 ))
ASSI { 1053}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 340 and name HA ))
2.400 1.300 1.300 peak 1053 weight 0.10000E+01 volume 0.40417E-02 ppm1 3.550 ppm2 5.070 CV 1
ASSI { 377}
(( segid "SH3 " and resid 319 and name HB2 ))
(( segid "SH3 " and resid 351 and name HD1 ))
3.800 1.700 1.700 peak 377 weight 0.10000E+01 volume 0.14518E-02 ppm1 3.000 ppm2 7.460 CV 1
ASSI { 383}
(( segid "SH3 " and resid 319 and name HB2 ))
( segid "SH3 " and resid 320 and name HG2%)
5.200 2.500 0.800 peak 383 weight 0.10000E+01 volume 0.41103E-03 ppm1 2.990 ppm2 1.290 CV 1
ASSI { 386}
(( segid "SH3 " and resid 319 and name HB2 ))
(( segid "SH3 " and resid 319 and name HA ))
2.700 1.400 1.400 peak 386 weight 0.10000E+01 volume 0.25015E-02 ppm1 3.000 ppm2 4.790 CV 1
ASSI { 382}
(( segid "SH3 " and resid 319 and name HB1 ))
( segid "SH3 " and resid 320 and name HG2%)
4.200 2.200 1.800 peak 382 weight 0.10000E+01 volume 0.61605E-03 ppm1 3.240 ppm2 1.280 CV 1
ASSI { 380}
(( segid "SH3 " and resid 319 and name HB2 ))
(( segid "SH3 " and resid 319 and name HD22))
4.300 2.600 1.700 peak 380 weight 0.10000E+01 volume 0.38259E-03 ppm1 3.000 ppm2 6.830 CV 1
ASSI { 376}
(( segid "SH3 " and resid 319 and name HB1 ))
(( segid "SH3 " and resid 351 and name HD1 ))
2.300 1.400 1.400 peak 376 weight 0.10000E+01 volume 0.25702E-02 ppm1 3.240 ppm2 7.450 CV 1
ASSI { 385}
(( segid "SH3 " and resid 337 and name HB1 ))
(( segid "SH3 " and resid 337 and name HA ))
2.500 1.100 1.100 peak 385 weight 0.10000E+01 volume 0.64939E-02 ppm1 3.230 ppm2 4.780 CV 1
ASSI { 1202}
(( segid "SH3 " and resid 353 and name HA ))
(( segid "SH3 " and resid 340 and name HH2 ))
3.700 2.100 2.100 peak 1202 weight 0.10000E+01 volume 0.71805E-03 ppm1 3.550 ppm2 7.320 CV 1
ASSI { 1106}
(( segid "SH3 " and resid 337 and name HB1 ))
(( segid "SH3 " and resid 337 and name HB2 ))
1.800 0.900 0.900 peak 1106 weight 0.10000E+01 volume 0.10300E-01 ppm1 3.220 ppm2 2.470 CV 1
ASSI { 1102}
(( segid "SH3 " and resid 356 and name HB1 ))
( segid "SH3 " and resid 356 and name HD% )
2.700 1.600 1.600 peak 1102 weight 0.10000E+01 volume 0.17658E-02 ppm1 3.330 ppm2 7.030 CV 1
ASSI { 250}
( segid "SH3 " and resid 311 and name HD% )
(( segid "SH3 " and resid 356 and name HB1 ))
4.100 2.500 1.900 peak 250 weight 0.10000E+01 volume 0.41300E-03 ppm1 6.570 ppm2 3.350 CV 1
ASSI { 1497}
(( segid "SH3 " and resid 356 and name HB1 ))
( segid "SH3 " and resid 323 and name HD1%)
3.300 2.100 2.100 peak 1497 weight 0.10000E+01 volume 0.72790E-03 ppm1 3.340 ppm2 0.840 CV 1
ASSI { 1109}
(( segid "SH3 " and resid 356 and name HB2 ))
( segid "SH3 " and resid 323 and name HD1%)
3.800 2.200 2.200 peak 1109 weight 0.10000E+01 volume 0.65630E-03 ppm1 3.190 ppm2 0.850 CV 1
ASSI { 252}
( segid "SH3 " and resid 311 and name HD% )
( segid "SH3 " and resid 310 and name HD2%)
4.200 2.100 1.800 peak 252 weight 0.10000E+01 volume 0.71511E-03 ppm1 6.580 ppm2 0.660 CV 1
ASSI { 253}
( segid "SH3 " and resid 311 and name HD% )
(( segid "SH3 " and resid 310 and name HB2 ))
3.600 2.400 2.400 peak 253 weight 0.10000E+01 volume 0.48362E-03 ppm1 6.580 ppm2 0.470 CV 1
ASSI { 257}
( segid "SH3 " and resid 311 and name HD% )
(( segid "SH3 " and resid 311 and name HA ))
2.800 1.300 1.300 peak 257 weight 0.10000E+01 volume 0.36787E-02 ppm1 6.580 ppm2 4.750 CV 1
ASSI { 254}
( segid "SH3 " and resid 311 and name HD% )
(( segid "SH3 " and resid 310 and name HB1 ))
3.700 2.100 2.100 peak 254 weight 0.10000E+01 volume 0.79068E-03 ppm1 6.590 ppm2 0.950 CV 1
ASSI { 1604}
( segid "SH3 " and resid 311 and name HD% )
(( segid "SH3 " and resid 310 and name HA ))
5.000 2.700 1.000 peak 1604 weight 0.10000E+01 volume 0.31882E-03 ppm1 6.610 ppm2 3.940 CV 1
ASSI { 481}
( segid "SH3 " and resid 323 and name HD1%)
( segid "SH3 " and resid 356 and name HD% )
3.500 1.800 1.800 peak 481 weight 0.10000E+01 volume 0.12556E-02 ppm1 0.840 ppm2 7.000 CV 1
ASSI { 478}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 313 and name HN ))
3.200 1.700 1.700 peak 478 weight 0.10000E+01 volume 0.15304E-02 ppm1 0.850 ppm2 8.930 CV 1
ASSI { 477}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 323 and name HN ))
4.100 1.700 1.700 peak 477 weight 0.10000E+01 volume 0.15304E-02 ppm1 0.850 ppm2 9.000 CV 1
ASSI { 485}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 313 and name HB1 ))
3.100 1.600 1.600 peak 485 weight 0.10000E+01 volume 0.17952E-02 ppm1 0.850 ppm2 3.040 CV 1
ASSI { 483}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 309 and name HA ))
3.700 1.700 1.700 peak 483 weight 0.10000E+01 volume 0.14126E-02 ppm1 0.840 ppm2 4.690 CV 1
ASSI { 480}
( segid "SH3 " and resid 323 and name HD1%)
( segid "SH3 " and resid 313 and name HD% )
4.300 1.900 1.700 peak 480 weight 0.10000E+01 volume 0.95648E-03 ppm1 0.840 ppm2 7.380 CV 1
ASSI { 487}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 327 and name HG2 ))
4.300 2.100 1.700 peak 487 weight 0.10000E+01 volume 0.80540E-03 ppm1 0.840 ppm2 2.090 CV 1
OR { 487}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 327 and name HG1 ))
ASSI { 491}
( segid "SH3 " and resid 323 and name HD1%)
( segid "SH3 " and resid 357 and name HG2%)
2.300 1.000 1.000 peak 491 weight 0.10000E+01 volume 0.89761E-02 ppm1 0.840 ppm2 0.630 CV 1
ASSI { 484}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 313 and name HB2 ))
3.000 1.500 1.500 peak 484 weight 0.10000E+01 volume 0.24328E-02 ppm1 0.840 ppm2 3.180 CV 1
ASSI { 479}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 309 and name HN ))
4.600 2.400 1.400 peak 479 weight 0.10000E+01 volume 0.51992E-03 ppm1 0.840 ppm2 8.360 CV 1
ASSI { 486}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 327 and name HB1 ))
3.900 2.600 2.100 peak 486 weight 0.10000E+01 volume 0.39436E-03 ppm1 0.850 ppm2 2.520 CV 1
ASSI { 476}
( segid "SH3 " and resid 323 and name HD1%)
(( segid "SH3 " and resid 310 and name HN ))
4.300 2.300 1.700 peak 476 weight 0.10000E+01 volume 0.56210E-03 ppm1 0.850 ppm2 9.490 CV 1
ASSI { 398}
(( segid "SH3 " and resid 320 and name HA ))
( segid "SH3 " and resid 352 and name HG1%)
4.100 2.400 1.900 peak 398 weight 0.10000E+01 volume 0.45616E-03 ppm1 5.150 ppm2 0.970 CV 1
ASSI { 898}
(( segid "SH3 " and resid 320 and name HA ))
(( segid "SH3 " and resid 351 and name HD1 ))
4.000 1.900 1.900 peak 898 weight 0.10000E+01 volume 0.10202E-02 ppm1 5.150 ppm2 7.470 CV 1
ASSI { 391}
(( segid "SH3 " and resid 320 and name HA ))
(( segid "SH3 " and resid 351 and name HA ))
4.500 2.400 1.500 peak 391 weight 0.10000E+01 volume 0.46302E-03 ppm1 5.130 ppm2 5.440 CV 1
ASSI { 899}
(( segid "SH3 " and resid 320 and name HA ))
(( segid "SH3 " and resid 351 and name HB2 ))
2.400 1.600 1.600 peak 899 weight 0.10000E+01 volume 0.17854E-02 ppm1 5.150 ppm2 2.860 CV 1
ASSI { 332}
(( segid "SH3 " and resid 314 and name HA ))
(( segid "SH3 " and resid 322 and name HN ))
5.300 2.700 0.700 peak 332 weight 0.10000E+01 volume 0.32078E-03 ppm1 4.050 ppm2 8.100 CV 1
ASSI { 1277}
(( segid "SH3 " and resid 320 and name HA ))
(( segid "SH3 " and resid 321 and name HB1 ))
4.100 2.200 1.900 peak 1277 weight 0.10000E+01 volume 0.66116E-03 ppm1 5.140 ppm2 1.570 CV 1
ASSI { 338}
(( segid "SH3 " and resid 314 and name HA ))
( segid "SH3 " and resid 314 and name HG1%)
2.400 1.000 1.000 peak 338 weight 0.10000E+01 volume 0.79266E-02 ppm1 4.040 ppm2 0.840 CV 1
ASSI { 336}
(( segid "SH3 " and resid 314 and name HA ))
(( segid "SH3 " and resid 314 and name HB ))
3.000 1.500 1.500 peak 336 weight 0.10000E+01 volume 0.21091E-02 ppm1 4.030 ppm2 1.730 CV 1
ASSI { 334}
(( segid "SH3 " and resid 314 and name HA ))
(( segid "SH3 " and resid 322 and name HA ))
2.900 1.600 1.600 peak 334 weight 0.10000E+01 volume 0.18933E-02 ppm1 4.030 ppm2 5.050 CV 1
ASSI { 337}
(( segid "SH3 " and resid 314 and name HA ))
( segid "SH3 " and resid 315 and name HB% )
4.000 1.700 1.700 peak 337 weight 0.10000E+01 volume 0.13930E-02 ppm1 4.030 ppm2 1.290 CV 1
ASSI { 780}
(( segid "SH3 " and resid 339 and name HB2 ))
(( segid "SH3 " and resid 339 and name HA ))
3.100 1.400 1.400 peak 780 weight 0.10000E+01 volume 0.25800E-02 ppm1 2.150 ppm2 4.060 CV 1
ASSI { 707}
( segid "SH3 " and resid 334 and name HD% )
(( segid "SH3 " and resid 341 and name HA ))
3.900 2.300 2.100 peak 707 weight 0.10000E+01 volume 0.59743E-03 ppm1 7.090 ppm2 5.120 CV 1
ASSI { 708}
( segid "SH3 " and resid 334 and name HD% )
(( segid "SH3 " and resid 338 and name HA1 ))
4.400 2.100 1.600 peak 708 weight 0.10000E+01 volume 0.73277E-03 ppm1 7.090 ppm2 4.230 CV 1
ASSI { 709}
( segid "SH3 " and resid 334 and name HD% )
(( segid "SH3 " and resid 333 and name HA2 ))
3.500 2.000 2.000 peak 709 weight 0.10000E+01 volume 0.83874E-03 ppm1 7.090 ppm2 3.910 CV 1
ASSI { 711}
( segid "SH3 " and resid 334 and name HD% )
(( segid "SH3 " and resid 334 and name HB1 ))
2.900 1.500 1.500 peak 711 weight 0.10000E+01 volume 0.21287E-02 ppm1 7.090 ppm2 3.280 CV 1
ASSI { 325}
(( segid "SH3 " and resid 354 and name HA ))
(( segid "SH3 " and resid 353 and name HB2 ))
3.400 1.700 1.700 peak 325 weight 0.10000E+01 volume 0.15990E-02 ppm1 3.990 ppm2 1.310 CV 1
OR { 325}
(( segid "SH3 " and resid 354 and name HA ))
(( segid "SH3 " and resid 353 and name HB1 ))
ASSI { 321}
(( segid "SH3 " and resid 354 and name HA ))
(( segid "SH3 " and resid 357 and name HN ))
4.200 2.300 1.800 peak 321 weight 0.10000E+01 volume 0.53562E-03 ppm1 3.980 ppm2 7.350 CV 1
ASSI { 324}
(( segid "SH3 " and resid 354 and name HA ))
(( segid "SH3 " and resid 341 and name HB2 ))
3.300 2.200 2.200 peak 324 weight 0.10000E+01 volume 0.60133E-03 ppm1 3.990 ppm2 2.200 CV 1
ASSI { 322}
(( segid "SH3 " and resid 354 and name HA ))
( segid "SH3 " and resid 334 and name HE% )
4.100 2.200 1.900 peak 322 weight 0.10000E+01 volume 0.63762E-03 ppm1 3.990 ppm2 6.720 CV 1
ASSI { 327}
(( segid "SH3 " and resid 354 and name HA ))
( segid "SH3 " and resid 357 and name HG2%)
4.500 2.100 1.500 peak 327 weight 0.10000E+01 volume 0.70730E-03 ppm1 3.990 ppm2 0.610 CV 1
ASSI { 714}
( segid "SH3 " and resid 334 and name HD% )
( segid "SH3 " and resid 357 and name HD1%)
4.300 2.300 1.700 peak 714 weight 0.10000E+01 volume 0.54739E-03 ppm1 7.090 ppm2 0.270 CV 1
ASSI { 1495}
(( segid "SH3 " and resid 355 and name HB2 ))
(( segid "SH3 " and resid 355 and name HA ))
2.800 1.200 1.200 peak 1495 weight 0.10000E+01 volume 0.43065E-02 ppm1 2.790 ppm2 4.850 CV 1
ASSI { 586}
(( segid "SH3 " and resid 327 and name HB2 ))
(( segid "SH3 " and resid 324 and name HA ))
4.000 2.400 2.000 peak 586 weight 0.10000E+01 volume 0.49442E-03 ppm1 2.320 ppm2 4.920 CV 1
ASSI { 588}
(( segid "SH3 " and resid 327 and name HB1 ))
(( segid "SH3 " and resid 327 and name HG2 ))
2.500 1.300 1.300 peak 588 weight 0.10000E+01 volume 0.40319E-02 ppm1 2.510 ppm2 2.100 CV 1
OR { 588}
(( segid "SH3 " and resid 327 and name HB1 ))
(( segid "SH3 " and resid 327 and name HG1 ))
ASSI { 594}
(( segid "SH3 " and resid 327 and name HB2 ))
( segid "SH3 " and resid 323 and name HG2%)
4.800 2.400 1.200 peak 594 weight 0.10000E+01 volume 0.47087E-03 ppm1 2.320 ppm2 0.850 CV 1
ASSI { 582}
(( segid "SH3 " and resid 327 and name HB1 ))
(( segid "SH3 " and resid 327 and name HA ))
3.300 1.700 1.700 peak 582 weight 0.10000E+01 volume 0.15009E-02 ppm1 2.510 ppm2 4.290 CV 1
ASSI { 590}
(( segid "SH3 " and resid 327 and name HB1 ))
( segid "SH3 " and resid 309 and name HB% )
3.300 2.000 2.000 peak 590 weight 0.10000E+01 volume 0.83580E-03 ppm1 2.510 ppm2 1.560 CV 1
ASSI { 1311}
(( segid "SH3 " and resid 327 and name HB1 ))
( segid "SH3 " and resid 329 and name HD1%)
4.000 2.400 2.000 peak 1311 weight 0.10000E+01 volume 0.46400E-03 ppm1 2.510 ppm2 0.650 CV 1
ASSI { 1312}
(( segid "SH3 " and resid 327 and name HB2 ))
( segid "SH3 " and resid 329 and name HD1%)
5.100 2.400 0.900 peak 1312 weight 0.10000E+01 volume 0.46205E-03 ppm1 2.330 ppm2 0.630 CV 1
ASSI { 576}
(( segid "SH3 " and resid 327 and name HB1 ))
(( segid "SH3 " and resid 324 and name HA ))
4.700 2.700 1.300 peak 576 weight 0.10000E+01 volume 0.31490E-03 ppm1 2.470 ppm2 4.920 CV 1
ASSI { 852}
(( segid "SH3 " and resid 342 and name HB2 ))
(( segid "SH3 " and resid 342 and name HG2 ))
3.100 1.500 1.500 peak 852 weight 0.10000E+01 volume 0.20699E-02 ppm1 0.710 ppm2 9.530 CV 1
ASSI { 851}
(( segid "SH3 " and resid 342 and name HB1 ))
(( segid "SH3 " and resid 342 and name HG2 ))
2.700 1.600 1.600 peak 851 weight 0.10000E+01 volume 0.18737E-02 ppm1 1.290 ppm2 9.530 CV 1
ASSI { 863}
(( segid "SH3 " and resid 342 and name HB1 ))
(( segid "SH3 " and resid 349 and name HB2 ))
4.000 2.000 2.000 peak 863 weight 0.10000E+01 volume 0.88680E-03 ppm1 1.290 ppm2 2.110 CV 1
OR { 863}
(( segid "SH3 " and resid 342 and name HB1 ))
(( segid "SH3 " and resid 349 and name HB1 ))
ASSI { 864}
(( segid "SH3 " and resid 342 and name HB2 ))
(( segid "SH3 " and resid 342 and name HG1 ))
2.700 1.400 1.400 peak 864 weight 0.10000E+01 volume 0.29430E-02 ppm1 0.720 ppm2 1.090 CV 1
ASSI { 866}
(( segid "SH3 " and resid 342 and name HB1 ))
( segid "SH3 " and resid 332 and name HD1%)
2.900 1.600 1.600 peak 866 weight 0.10000E+01 volume 0.17461E-02 ppm1 1.290 ppm2 0.530 CV 1
ASSI { 853}
(( segid "SH3 " and resid 342 and name HB2 ))
(( segid "SH3 " and resid 343 and name HN ))
4.200 1.800 1.800 peak 853 weight 0.10000E+01 volume 0.11575E-02 ppm1 0.710 ppm2 8.990 CV 1
ASSI { 865}
(( segid "SH3 " and resid 342 and name HB1 ))
(( segid "SH3 " and resid 342 and name HG1 ))
2.900 1.400 1.400 peak 865 weight 0.10000E+01 volume 0.26683E-02 ppm1 1.290 ppm2 1.090 CV 1
ASSI { 862}
(( segid "SH3 " and resid 342 and name HB2 ))
(( segid "SH3 " and resid 349 and name HB2 ))
4.400 2.200 1.600 peak 862 weight 0.10000E+01 volume 0.61214E-03 ppm1 0.710 ppm2 2.100 CV 1
OR { 862}
(( segid "SH3 " and resid 342 and name HB2 ))
(( segid "SH3 " and resid 349 and name HB1 ))
ASSI { 867}
(( segid "SH3 " and resid 342 and name HB2 ))
( segid "SH3 " and resid 332 and name HD1%)
4.200 1.900 1.800 peak 867 weight 0.10000E+01 volume 0.11085E-02 ppm1 0.710 ppm2 0.530 CV 1
ASSI { 1549}
(( segid "SH3 " and resid 362 and name HA ))
(( segid "SH3 " and resid 362 and name HB1 ))
2.500 1.100 1.100 peak 1549 weight 0.10000E+01 volume 0.72004E-02 ppm1 4.180 ppm2 3.810 CV 1
OR { 1549}
(( segid "SH3 " and resid 362 and name HA ))
(( segid "SH3 " and resid 362 and name HB2 ))
ASSI { 510}
(( segid "SH3 " and resid 324 and name HA ))
(( segid "SH3 " and resid 325 and name HN ))
2.200 1.000 1.000 peak 510 weight 0.10000E+01 volume 0.89172E-02 ppm1 4.900 ppm2 8.930 CV 1
ASSI { 512}
(( segid "SH3 " and resid 324 and name HA ))
( segid "SH3 " and resid 324 and name HG2%)
2.700 1.300 1.300 peak 512 weight 0.10000E+01 volume 0.36002E-02 ppm1 4.900 ppm2 1.260 CV 1
ASSI { 1169}
(( segid "SH3 " and resid 362 and name HA ))
(( segid "SH3 " and resid 361 and name HA ))
5.000 2.500 1.000 peak 1169 weight 0.10000E+01 volume 0.44340E-03 ppm1 4.180 ppm2 4.770 CV 1
ASSI { 86}
( segid "SH3 " and resid 307 and name HD% )
(( segid "SH3 " and resid 359 and name HD1 ))
3.900 2.600 2.100 peak 86 weight 0.10000E+01 volume 0.37964E-03 ppm1 6.910 ppm2 3.740 CV 1
OR { 86}
( segid "SH3 " and resid 307 and name HD% )
(( segid "SH3 " and resid 359 and name HD2 ))
ASSI { 85}
( segid "SH3 " and resid 307 and name HD% )
( segid "SH3 " and resid 357 and name HG2%)
5.000 2.400 1.000 peak 85 weight 0.10000E+01 volume 0.46205E-03 ppm1 6.920 ppm2 0.630 CV 1
ASSI { 123}
(( segid "SH3 " and resid 308 and name HB ))
(( segid "SH3 " and resid 329 and name HN ))
5.000 2.600 1.000 peak 123 weight 0.10000E+01 volume 0.35904E-03 ppm1 1.710 ppm2 9.150 CV 1
ASSI { 743}
(( segid "SH3 " and resid 336 and name HA ))
(( segid "SH3 " and resid 336 and name HB2 ))
2.300 0.900 0.900 peak 743 weight 0.10000E+01 volume 0.12753E-01 ppm1 4.320 ppm2 3.160 CV 1
OR { 743}
(( segid "SH3 " and resid 336 and name HA ))
(( segid "SH3 " and resid 336 and name HB1 ))
ASSI { 122}
(( segid "SH3 " and resid 308 and name HB ))
( segid "SH3 " and resid 308 and name HG2%)
2.300 1.000 1.000 peak 122 weight 0.10000E+01 volume 0.78185E-02 ppm1 1.700 ppm2 0.800 CV 1
ASSI { 118}
(( segid "SH3 " and resid 308 and name HB ))
(( segid "SH3 " and resid 308 and name HA ))
2.300 1.200 1.200 peak 118 weight 0.10000E+01 volume 0.42967E-02 ppm1 1.700 ppm2 5.240 CV 1
ASSI { 1126}
( segid "SH3 " and resid 356 and name HD% )
(( segid "SH3 " and resid 356 and name HA ))
3.300 1.800 1.800 peak 1126 weight 0.10000E+01 volume 0.12164E-02 ppm1 7.020 ppm2 4.750 CV 1
ASSI { 121}
(( segid "SH3 " and resid 308 and name HB ))
( segid "SH3 " and resid 358 and name HG2%)
5.100 2.200 0.900 peak 121 weight 0.10000E+01 volume 0.62686E-03 ppm1 1.690 ppm2 1.090 CV 1
ASSI { 1124}
( segid "SH3 " and resid 356 and name HD% )
( segid "SH3 " and resid 313 and name HD% )
4.000 2.200 2.000 peak 1124 weight 0.10000E+01 volume 0.62392E-03 ppm1 7.020 ppm2 7.370 CV 1
ASSI { 1128}
( segid "SH3 " and resid 356 and name HD% )
(( segid "SH3 " and resid 356 and name HB2 ))
2.800 1.500 1.500 peak 1128 weight 0.10000E+01 volume 0.21483E-02 ppm1 7.020 ppm2 3.180 CV 1
ASSI { 1125}
( segid "SH3 " and resid 356 and name HD% )
( segid "SH3 " and resid 311 and name HD% )
3.200 2.100 2.100 peak 1125 weight 0.10000E+01 volume 0.78677E-03 ppm1 7.020 ppm2 6.600 CV 1
ASSI { 120}
(( segid "SH3 " and resid 308 and name HB ))
(( segid "SH3 " and resid 307 and name HB1 ))
5.000 2.800 1.000 peak 120 weight 0.10000E+01 volume 0.30705E-03 ppm1 1.700 ppm2 2.730 CV 1
OR { 120}
(( segid "SH3 " and resid 308 and name HB ))
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 119}
(( segid "SH3 " and resid 308 and name HB ))
(( segid "SH3 " and resid 360 and name HA ))
4.100 2.800 1.900 peak 119 weight 0.10000E+01 volume 0.30214E-03 ppm1 1.700 ppm2 3.940 CV 1
ASSI { 319}
( segid "SH3 " and resid 313 and name HE% )
(( segid "SH3 " and resid 320 and name HB ))
2.900 2.300 2.300 peak 319 weight 0.10000E+01 volume 0.58860E-03 ppm1 7.490 ppm2 4.610 CV 1
ASSI { 1117}
(( segid "SH3 " and resid 357 and name HA ))
(( segid "SH3 " and resid 309 and name HN ))
4.700 2.500 1.300 peak 1117 weight 0.10000E+01 volume 0.42869E-03 ppm1 5.450 ppm2 8.370 CV 1
ASSI { 1122}
(( segid "SH3 " and resid 357 and name HA ))
( segid "SH3 " and resid 357 and name HD1%)
4.400 2.000 1.600 peak 1122 weight 0.10000E+01 volume 0.81910E-03 ppm1 5.420 ppm2 0.230 CV 1
ASSI { 1120}
(( segid "SH3 " and resid 357 and name HA ))
(( segid "SH3 " and resid 357 and name HB ))
2.400 1.300 1.300 peak 1120 weight 0.10000E+01 volume 0.39730E-02 ppm1 5.420 ppm2 1.730 CV 1
ASSI { 1711}
( segid "SH3 " and resid 307 and name HD% )
(( segid "SH3 " and resid 359 and name HA ))
3.600 2.400 2.400 peak 1711 weight 0.10000E+01 volume 0.49736E-03 ppm1 6.920 ppm2 3.840 CV 1
ASSI { 1114}
(( segid "SH3 " and resid 357 and name HA ))
( segid "SH3 " and resid 309 and name HB% )
4.100 1.800 1.800 peak 1114 weight 0.10000E+01 volume 0.11575E-02 ppm1 5.420 ppm2 1.560 CV 1
ASSI { 1112}
(( segid "SH3 " and resid 357 and name HA ))
(( segid "SH3 " and resid 309 and name HA ))
2.200 1.300 1.300 peak 1112 weight 0.10000E+01 volume 0.40417E-02 ppm1 5.420 ppm2 4.680 CV 1
ASSI { 1113}
(( segid "SH3 " and resid 357 and name HA ))
(( segid "SH3 " and resid 310 and name HA ))
4.500 2.200 1.500 peak 1113 weight 0.10000E+01 volume 0.65432E-03 ppm1 5.420 ppm2 3.920 CV 1
ASSI { 1191}
(( segid "SH3 " and resid 325 and name HA ))
( segid "SH3 " and resid 310 and name HD1%)
4.500 2.400 1.500 peak 1191 weight 0.10000E+01 volume 0.51305E-03 ppm1 3.280 ppm2 0.650 CV 1
ASSI { 1248}
(( segid "SH3 " and resid 308 and name HA ))
(( segid "SH3 " and resid 308 and name HN ))
2.700 1.600 1.600 peak 1248 weight 0.10000E+01 volume 0.17756E-02 ppm1 5.240 ppm2 9.440 CV 1
ASSI { 542}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 312 and name HN ))
4.700 2.500 1.300 peak 542 weight 0.10000E+01 volume 0.40809E-03 ppm1 3.270 ppm2 8.200 CV 1
ASSI { 1249}
(( segid "SH3 " and resid 308 and name HA ))
(( segid "SH3 " and resid 329 and name HN ))
3.000 1.700 1.700 peak 1249 weight 0.10000E+01 volume 0.15990E-02 ppm1 5.240 ppm2 9.150 CV 1
ASSI { 543}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 311 and name HA ))
3.900 2.100 2.100 peak 543 weight 0.10000E+01 volume 0.70141E-03 ppm1 3.280 ppm2 4.750 CV 1
ASSI { 1301}
(( segid "SH3 " and resid 325 and name HA ))
( segid "SH3 " and resid 308 and name HG2%)
4.500 2.100 1.500 peak 1301 weight 0.10000E+01 volume 0.74160E-03 ppm1 3.280 ppm2 0.820 CV 1
ASSI { 533}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 325 and name HN ))
2.100 0.900 0.900 peak 533 weight 0.10000E+01 volume 0.11772E-01 ppm1 3.280 ppm2 8.940 CV 1
ASSI { 541}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 325 and name HD2 ))
3.600 1.300 1.300 peak 541 weight 0.10000E+01 volume 0.33354E-02 ppm1 3.280 ppm2 1.150 CV 1
OR { 541}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 325 and name HD1 ))
ASSI { 115}
(( segid "SH3 " and resid 308 and name HA ))
( segid "SH3 " and resid 329 and name HD2%)
3.500 1.400 1.400 peak 115 weight 0.10000E+01 volume 0.25506E-02 ppm1 5.250 ppm2 0.650 CV 1
ASSI { 106}
(( segid "SH3 " and resid 358 and name HA ))
( segid "SH3 " and resid 307 and name HD% )
3.200 1.800 1.800 peak 106 weight 0.10000E+01 volume 0.12949E-02 ppm1 5.270 ppm2 6.920 CV 1
ASSI { 107}
(( segid "SH3 " and resid 308 and name HA ))
(( segid "SH3 " and resid 309 and name HA ))
3.400 1.800 1.800 peak 107 weight 0.10000E+01 volume 0.12949E-02 ppm1 5.260 ppm2 4.720 CV 1
ASSI { 536}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 324 and name HA ))
3.900 2.100 2.100 peak 536 weight 0.10000E+01 volume 0.76419E-03 ppm1 3.280 ppm2 4.890 CV 1
ASSI { 539}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 325 and name HB2 ))
2.400 1.300 1.300 peak 539 weight 0.10000E+01 volume 0.34727E-02 ppm1 3.280 ppm2 1.670 CV 1
OR { 539}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 325 and name HB1 ))
ASSI { 537}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 326 and name HA1 ))
4.600 2.100 1.400 peak 537 weight 0.10000E+01 volume 0.71415E-03 ppm1 3.280 ppm2 4.380 CV 1
ASSI { 538}
(( segid "SH3 " and resid 325 and name HA ))
(( segid "SH3 " and resid 310 and name HA ))
4.200 2.300 1.800 peak 538 weight 0.10000E+01 volume 0.57586E-03 ppm1 3.280 ppm2 3.900 CV 1
ASSI { 109}
(( segid "SH3 " and resid 308 and name HA ))
(( segid "SH3 " and resid 307 and name HB1 ))
3.800 2.300 2.200 peak 109 weight 0.10000E+01 volume 0.59544E-03 ppm1 5.230 ppm2 2.710 CV 1
OR { 109}
(( segid "SH3 " and resid 308 and name HA ))
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 99}
( segid "SH3 " and resid 307 and name HE% )
( segid "SH3 " and resid 307 and name HD% )
2.500 1.300 1.300 peak 99 weight 0.10000E+01 volume 0.39141E-02 ppm1 7.340 ppm2 6.920 CV 1
ASSI { 457}
(( segid "SH3 " and resid 322 and name HA ))
(( segid "SH3 " and resid 313 and name HB1 ))
5.400 2.300 0.600 peak 457 weight 0.10000E+01 volume 0.55720E-03 ppm1 5.060 ppm2 3.040 CV 1
ASSI { 1418}
(( segid "SH3 " and resid 339 and name HA ))
(( segid "SH3 " and resid 340 and name HN ))
2.900 1.400 1.400 peak 1418 weight 0.10000E+01 volume 0.27369E-02 ppm1 4.050 ppm2 8.320 CV 1
ASSI { 454}
(( segid "SH3 " and resid 322 and name HA ))
(( segid "SH3 " and resid 322 and name HB1 ))
2.400 1.200 1.200 peak 454 weight 0.10000E+01 volume 0.46695E-02 ppm1 5.060 ppm2 4.030 CV 1
ASSI { 452}
(( segid "SH3 " and resid 322 and name HA ))
( segid "SH3 " and resid 313 and name HD% )
3.000 1.800 1.800 peak 452 weight 0.10000E+01 volume 0.12262E-02 ppm1 5.060 ppm2 7.390 CV 1
ASSI { 462}
(( segid "SH3 " and resid 322 and name HA ))
( segid "SH3 " and resid 321 and name HD1%)
4.600 2.300 1.400 peak 462 weight 0.10000E+01 volume 0.53856E-03 ppm1 5.060 ppm2 0.660 CV 1
ASSI { 1197}
(( segid "SH3 " and resid 322 and name HA ))
(( segid "SH3 " and resid 321 and name HG ))
3.500 2.100 2.100 peak 1197 weight 0.10000E+01 volume 0.79164E-03 ppm1 5.060 ppm2 1.440 CV 1
ASSI { 456}
(( segid "SH3 " and resid 322 and name HA ))
(( segid "SH3 " and resid 313 and name HB2 ))
4.100 2.200 1.900 peak 456 weight 0.10000E+01 volume 0.62879E-03 ppm1 5.050 ppm2 3.200 CV 1
ASSI { 451}
(( segid "SH3 " and resid 322 and name HA ))
( segid "SH3 " and resid 313 and name HE% )
4.300 2.500 1.700 peak 451 weight 0.10000E+01 volume 0.41888E-03 ppm1 5.040 ppm2 7.530 CV 1
ASSI { 1247}
( segid "SH3 " and resid 307 and name HE% )
(( segid "SH3 " and resid 358 and name HA ))
5.000 2.700 1.000 peak 1247 weight 0.10000E+01 volume 0.31490E-03 ppm1 7.350 ppm2 5.260 CV 1
ASSI { 1245}
( segid "SH3 " and resid 307 and name HE% )
(( segid "SH3 " and resid 359 and name HB1 ))
4.600 2.600 1.400 peak 1245 weight 0.10000E+01 volume 0.35806E-03 ppm1 7.340 ppm2 1.830 CV 1
OR { 1245}
( segid "SH3 " and resid 307 and name HE% )
(( segid "SH3 " and resid 359 and name HB2 ))
ASSI { 971}
(( segid "SH3 " and resid 346 and name HA ))
(( segid "SH3 " and resid 346 and name HB1 ))
2.400 1.000 1.000 peak 971 weight 0.10000E+01 volume 0.75734E-02 ppm1 4.210 ppm2 1.890 CV 1
OR { 971}
(( segid "SH3 " and resid 346 and name HA ))
(( segid "SH3 " and resid 346 and name HB2 ))
ASSI { 969}
(( segid "SH3 " and resid 346 and name HA ))
(( segid "SH3 " and resid 346 and name HG2 ))
3.300 1.700 1.700 peak 969 weight 0.10000E+01 volume 0.14126E-02 ppm1 4.210 ppm2 1.510 CV 1
OR { 969}
(( segid "SH3 " and resid 346 and name HA ))
(( segid "SH3 " and resid 346 and name HG1 ))
ASSI { 970}
(( segid "SH3 " and resid 346 and name HA ))
(( segid "SH3 " and resid 346 and name HD1 ))
4.100 1.800 1.800 peak 970 weight 0.10000E+01 volume 0.11380E-02 ppm1 4.220 ppm2 1.720 CV 1
OR { 970}
(( segid "SH3 " and resid 346 and name HA ))
(( segid "SH3 " and resid 346 and name HD2 ))
ASSI { 1244}
( segid "SH3 " and resid 307 and name HE% )
(( segid "SH3 " and resid 359 and name HG1 ))
3.600 2.200 2.200 peak 1244 weight 0.10000E+01 volume 0.61509E-03 ppm1 7.330 ppm2 1.620 CV 1
OR { 1244}
( segid "SH3 " and resid 307 and name HE% )
(( segid "SH3 " and resid 359 and name HG2 ))
ASSI { 1243}
( segid "SH3 " and resid 307 and name HE% )
(( segid "SH3 " and resid 359 and name HA ))
3.900 2.200 2.100 peak 1243 weight 0.10000E+01 volume 0.63762E-03 ppm1 7.340 ppm2 3.850 CV 1
ASSI { 1024}
(( segid "SH3 " and resid 352 and name HB ))
(( segid "SH3 " and resid 352 and name HA ))
2.400 1.400 1.400 peak 1024 weight 0.10000E+01 volume 0.25898E-02 ppm1 1.700 ppm2 4.800 CV 1
ASSI { 1026}
(( segid "SH3 " and resid 352 and name HB ))
( segid "SH3 " and resid 323 and name HD1%)
3.100 1.700 1.700 peak 1026 weight 0.10000E+01 volume 0.15990E-02 ppm1 1.700 ppm2 0.850 CV 1
ASSI { 1023}
(( segid "SH3 " and resid 352 and name HB ))
( segid "SH3 " and resid 313 and name HD% )
4.600 2.500 1.400 peak 1023 weight 0.10000E+01 volume 0.43948E-03 ppm1 1.700 ppm2 7.360 CV 1
ASSI { 1022}
(( segid "SH3 " and resid 352 and name HB ))
( segid "SH3 " and resid 313 and name HE% )
5.400 2.700 0.600 peak 1022 weight 0.10000E+01 volume 0.33550E-03 ppm1 1.690 ppm2 7.490 CV 1
ASSI { 680}
(( segid "SH3 " and resid 334 and name HA ))
(( segid "SH3 " and resid 334 and name HB2 ))
3.300 1.600 1.600 peak 680 weight 0.10000E+01 volume 0.18540E-02 ppm1 5.470 ppm2 2.960 CV 1
ASSI { 676}
(( segid "SH3 " and resid 334 and name HA ))
( segid "SH3 " and resid 334 and name HD% )
3.300 1.700 1.700 peak 676 weight 0.10000E+01 volume 0.13537E-02 ppm1 5.480 ppm2 7.090 CV 1
ASSI { 673}
(( segid "SH3 " and resid 334 and name HA ))
(( segid "SH3 " and resid 334 and name HN ))
3.200 1.800 1.800 peak 673 weight 0.10000E+01 volume 0.12361E-02 ppm1 5.480 ppm2 8.730 CV 1
ASSI { 1198}
(( segid "SH3 " and resid 334 and name HA ))
(( segid "SH3 " and resid 351 and name HZ3 ))
2.900 1.600 1.600 peak 1198 weight 0.10000E+01 volume 0.18442E-02 ppm1 5.470 ppm2 6.860 CV 1
ASSI { 287}
(( segid "SH3 " and resid 313 and name HA ))
(( segid "SH3 " and resid 314 and name HB ))
4.900 2.100 1.100 peak 287 weight 0.10000E+01 volume 0.72887E-03 ppm1 4.970 ppm2 1.780 CV 1
ASSI { 1258}
(( segid "SH3 " and resid 313 and name HA ))
( segid "SH3 " and resid 356 and name HE% )
3.300 1.700 1.700 peak 1258 weight 0.10000E+01 volume 0.13930E-02 ppm1 4.970 ppm2 6.950 CV 1
ASSI { 1199}
(( segid "SH3 " and resid 351 and name HA ))
(( segid "SH3 " and resid 342 and name HN ))
3.600 1.600 1.600 peak 1199 weight 0.10000E+01 volume 0.17363E-02 ppm1 5.470 ppm2 8.120 CV 1
ASSI { 289}
(( segid "SH3 " and resid 313 and name HA ))
( segid "SH3 " and resid 314 and name HG2%)
4.400 1.600 1.600 peak 289 weight 0.10000E+01 volume 0.18737E-02 ppm1 4.970 ppm2 0.850 CV 1
ASSI { 678}
(( segid "SH3 " and resid 334 and name HA ))
( segid "SH3 " and resid 334 and name HE% )
4.400 2.200 1.600 peak 678 weight 0.10000E+01 volume 0.66218E-03 ppm1 5.480 ppm2 6.720 CV 1
ASSI { 286}
(( segid "SH3 " and resid 313 and name HA ))
(( segid "SH3 " and resid 313 and name HB2 ))
2.800 1.300 1.300 peak 286 weight 0.10000E+01 volume 0.34531E-02 ppm1 4.970 ppm2 3.180 CV 1
ASSI { 1259}
(( segid "SH3 " and resid 313 and name HA ))
(( segid "SH3 " and resid 313 and name HB1 ))
2.600 1.500 1.500 peak 1259 weight 0.10000E+01 volume 0.22464E-02 ppm1 4.970 ppm2 3.040 CV 1
ASSI { 682}
(( segid "SH3 " and resid 334 and name HA ))
( segid "SH3 " and resid 331 and name HG1%)
4.200 2.500 1.800 peak 682 weight 0.10000E+01 volume 0.40220E-03 ppm1 5.470 ppm2 0.270 CV 1
ASSI { 284}
(( segid "SH3 " and resid 313 and name HA ))
( segid "SH3 " and resid 313 and name HE% )
3.900 2.000 2.000 peak 284 weight 0.10000E+01 volume 0.89953E-03 ppm1 4.990 ppm2 7.510 CV 1
ASSI { 283}
(( segid "SH3 " and resid 313 and name HA ))
( segid "SH3 " and resid 313 and name HD% )
2.900 1.300 1.300 peak 283 weight 0.10000E+01 volume 0.31980E-02 ppm1 4.970 ppm2 7.380 CV 1
ASSI { 679}
(( segid "SH3 " and resid 334 and name HA ))
(( segid "SH3 " and resid 334 and name HB1 ))
2.600 1.400 1.400 peak 679 weight 0.10000E+01 volume 0.29331E-02 ppm1 5.470 ppm2 3.280 CV 1
ASSI { 1718}
(( segid "SH3 " and resid 328 and name HB2 ))
( segid "SH3 " and resid 306 and name HD1%)
3.300 1.800 1.800 peak 1718 weight 0.10000E+01 volume 0.12753E-02 ppm1 1.870 ppm2 0.940 CV 1
OR { 1718}
(( segid "SH3 " and resid 328 and name HB1 ))
( segid "SH3 " and resid 306 and name HD1%)
ASSI { 687}
(( segid "SH3 " and resid 351 and name HA ))
(( segid "SH3 " and resid 351 and name HB1 ))
2.600 1.400 1.400 peak 687 weight 0.10000E+01 volume 0.26487E-02 ppm1 5.450 ppm2 3.220 CV 1
ASSI { 1632}
(( segid "SH3 " and resid 351 and name HA ))
(( segid "SH3 " and resid 342 and name HB2 ))
4.200 2.300 1.800 peak 1632 weight 0.10000E+01 volume 0.54739E-03 ppm1 5.450 ppm2 0.710 CV 1
ASSI { 689}
(( segid "SH3 " and resid 351 and name HA ))
(( segid "SH3 " and resid 342 and name HG1 ))
3.800 2.000 2.000 peak 689 weight 0.10000E+01 volume 0.81910E-03 ppm1 5.450 ppm2 1.090 CV 1
ASSI { 1634}
(( segid "SH3 " and resid 351 and name HA ))
(( segid "SH3 " and resid 342 and name HA ))
2.300 1.200 1.200 peak 1634 weight 0.10000E+01 volume 0.47774E-02 ppm1 5.440 ppm2 3.430 CV 1
ASSI { 1633}
(( segid "SH3 " and resid 351 and name HA ))
(( segid "SH3 " and resid 340 and name HE3 ))
3.300 1.600 1.600 peak 1633 weight 0.10000E+01 volume 0.17363E-02 ppm1 5.440 ppm2 7.420 CV 1
ASSI { 688}
(( segid "SH3 " and resid 351 and name HA ))
(( segid "SH3 " and resid 342 and name HB1 ))
4.700 2.100 1.300 peak 688 weight 0.10000E+01 volume 0.72298E-03 ppm1 5.440 ppm2 1.280 CV 1
ASSI { 569}
(( segid "SH3 " and resid 327 and name HA ))
( segid "SH3 " and resid 308 and name HG2%)
3.800 2.200 2.200 peak 569 weight 0.10000E+01 volume 0.62194E-03 ppm1 4.290 ppm2 0.810 CV 1
ASSI { 562}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 328 and name HA ))
4.100 2.200 1.900 peak 562 weight 0.10000E+01 volume 0.68573E-03 ppm1 4.290 ppm2 5.210 CV 1
ASSI { 564}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 327 and name HB2 ))
2.300 1.100 1.100 peak 564 weight 0.10000E+01 volume 0.65822E-02 ppm1 4.290 ppm2 2.330 CV 1
ASSI { 565}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 327 and name HG1 ))
2.800 1.400 1.400 peak 565 weight 0.10000E+01 volume 0.29331E-02 ppm1 4.290 ppm2 2.100 CV 1
OR { 565}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 327 and name HG2 ))
ASSI { 567}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 328 and name HG1 ))
4.200 2.000 1.800 peak 567 weight 0.10000E+01 volume 0.92506E-03 ppm1 4.290 ppm2 1.680 CV 1
OR { 567}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 328 and name HG2 ))
ASSI { 566}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 328 and name HB1 ))
4.300 1.900 1.700 peak 566 weight 0.10000E+01 volume 0.10497E-02 ppm1 4.280 ppm2 1.870 CV 1
OR { 566}
(( segid "SH3 " and resid 327 and name HA ))
(( segid "SH3 " and resid 328 and name HB2 ))
ASSI { 790}
(( segid "SH3 " and resid 340 and name HB2 ))
(( segid "SH3 " and resid 340 and name HE3 ))
4.100 1.800 1.800 peak 790 weight 0.10000E+01 volume 0.11575E-02 ppm1 2.540 ppm2 7.410 CV 1
ASSI { 791}
(( segid "SH3 " and resid 340 and name HB1 ))
(( segid "SH3 " and resid 340 and name HD1 ))
4.000 2.200 2.000 peak 791 weight 0.10000E+01 volume 0.60626E-03 ppm1 3.450 ppm2 7.090 CV 1
ASSI { 789}
(( segid "SH3 " and resid 340 and name HB1 ))
(( segid "SH3 " and resid 340 and name HE3 ))
2.800 1.600 1.600 peak 789 weight 0.10000E+01 volume 0.18540E-02 ppm1 3.450 ppm2 7.410 CV 1
ASSI { 792}
(( segid "SH3 " and resid 340 and name HB1 ))
(( segid "SH3 " and resid 340 and name HA ))
2.900 1.700 1.700 peak 792 weight 0.10000E+01 volume 0.13636E-02 ppm1 3.450 ppm2 5.080 CV 1
ASSI { 1344}
(( segid "SH3 " and resid 331 and name HB ))
( segid "SH3 " and resid 307 and name HE% )
3.300 1.900 1.900 peak 1344 weight 0.10000E+01 volume 0.10399E-02 ppm1 1.540 ppm2 7.340 CV 1
ASSI { 1345}
(( segid "SH3 " and resid 331 and name HB ))
(( segid "SH3 " and resid 330 and name HA ))
4.800 2.200 1.200 peak 1345 weight 0.10000E+01 volume 0.64548E-03 ppm1 1.540 ppm2 5.120 CV 1
ASSI { 1341}
(( segid "SH3 " and resid 331 and name HB ))
( segid "SH3 " and resid 307 and name HD% )
3.500 2.200 2.200 peak 1341 weight 0.10000E+01 volume 0.64254E-03 ppm1 1.540 ppm2 6.930 CV 1
ASSI { 341}
(( segid "SH3 " and resid 314 and name HB ))
( segid "SH3 " and resid 314 and name HG1%)
2.300 1.000 1.000 peak 341 weight 0.10000E+01 volume 0.93486E-02 ppm1 1.740 ppm2 0.840 CV 1
ASSI { 782}
(( segid "SH3 " and resid 340 and name HA ))
(( segid "SH3 " and resid 351 and name HE3 ))
4.000 1.800 1.800 peak 782 weight 0.10000E+01 volume 0.12066E-02 ppm1 5.070 ppm2 7.350 CV 1
ASSI { 784}
(( segid "SH3 " and resid 340 and name HA ))
(( segid "SH3 " and resid 340 and name HB2 ))
3.000 1.700 1.700 peak 784 weight 0.10000E+01 volume 0.16186E-02 ppm1 5.070 ppm2 2.540 CV 1
ASSI { 24}
(( segid "SH3 " and resid 307 and name HA ))
(( segid "SH3 " and resid 307 and name HB1 ))
2.500 1.400 1.400 peak 24 weight 0.10000E+01 volume 0.30803E-02 ppm1 5.210 ppm2 2.700 CV 1
OR { 24}
(( segid "SH3 " and resid 307 and name HA ))
(( segid "SH3 " and resid 307 and name HB2 ))
ASSI { 26}
(( segid "SH3 " and resid 307 and name HA ))
( segid "SH3 " and resid 307 and name HD% )
3.100 1.700 1.700 peak 26 weight 0.10000E+01 volume 0.14518E-02 ppm1 5.210 ppm2 6.920 CV 1
ASSI { 1236}
(( segid "SH3 " and resid 307 and name HA ))
(( segid "SH3 " and resid 360 and name HB ))
4.000 1.900 1.900 peak 1236 weight 0.10000E+01 volume 0.11085E-02 ppm1 5.210 ppm2 1.830 CV 1
ASSI { 1233}
(( segid "SH3 " and resid 307 and name HA ))
( segid "SH3 " and resid 360 and name HG2%)
2.900 1.400 1.400 peak 1233 weight 0.10000E+01 volume 0.30116E-02 ppm1 5.210 ppm2 0.810 CV 1
ASSI { 1540}
(( segid "SH3 " and resid 349 and name HG2 ))
(( segid "SH3 " and resid 344 and name HA ))
4.500 1.900 1.500 peak 1540 weight 0.10000E+01 volume 0.99078E-03 ppm1 1.810 ppm2 5.210 CV 1
OR { 1540}
(( segid "SH3 " and resid 349 and name HG1 ))
(( segid "SH3 " and resid 344 and name HA ))
ASSI { 171}
(( segid "SH3 " and resid 310 and name HA ))
(( segid "SH3 " and resid 325 and name HB2 ))
3.900 2.400 2.100 peak 171 weight 0.10000E+01 volume 0.48559E-03 ppm1 3.900 ppm2 1.690 CV 1
OR { 171}
(( segid "SH3 " and resid 310 and name HA ))
(( segid "SH3 " and resid 325 and name HB1 ))
ASSI { 167}
(( segid "SH3 " and resid 310 and name HA ))
( segid "SH3 " and resid 311 and name HE% )
5.000 2.500 1.000 peak 167 weight 0.10000E+01 volume 0.42575E-03 ppm1 3.890 ppm2 6.620 CV 1
ASSI { 177}
(( segid "SH3 " and resid 310 and name HA ))
(( segid "SH3 " and resid 310 and name HB2 ))
2.800 1.300 1.300 peak 177 weight 0.10000E+01 volume 0.37376E-02 ppm1 3.900 ppm2 0.480 CV 1
ASSI { 1429}
(( segid "SH3 " and resid 341 and name HA ))
(( segid "SH3 " and resid 351 and name HZ3 ))
2.900 1.600 1.600 peak 1429 weight 0.10000E+01 volume 0.17952E-02 ppm1 5.120 ppm2 6.860 CV 1
ASSI { 1428}
(( segid "SH3 " and resid 341 and name HA ))
(( segid "SH3 " and resid 334 and name HA ))
2.300 1.200 1.200 peak 1428 weight 0.10000E+01 volume 0.52188E-02 ppm1 5.120 ppm2 5.480 CV 1
ASSI { 173}
(( segid "SH3 " and resid 310 and name HA ))
(( segid "SH3 " and resid 310 and name HB1 ))
2.600 1.400 1.400 peak 173 weight 0.10000E+01 volume 0.31293E-02 ppm1 3.900 ppm2 1.120 CV 1
ASSI { 168}
(( segid "SH3 " and resid 310 and name HA ))
(( segid "SH3 " and resid 309 and name HA ))
4.100 2.100 1.900 peak 168 weight 0.10000E+01 volume 0.71907E-03 ppm1 3.900 ppm2 4.690 CV 1
ASSI { 375}
(( segid "SH3 " and resid 318 and name HA ))
(( segid "SH3 " and resid 320 and name HN ))
4.500 2.500 1.500 peak 375 weight 0.10000E+01 volume 0.40907E-03 ppm1 4.440 ppm2 7.750 CV 1
ASSI { 601}
(( segid "SH3 " and resid 328 and name HA ))
(( segid "SH3 " and resid 328 and name HB1 ))
2.400 1.300 1.300 peak 601 weight 0.10000E+01 volume 0.39632E-02 ppm1 5.220 ppm2 1.840 CV 1
OR { 601}
(( segid "SH3 " and resid 328 and name HA ))
(( segid "SH3 " and resid 328 and name HB2 ))
ASSI { 602}
(( segid "SH3 " and resid 328 and name HA ))
(( segid "SH3 " and resid 328 and name HG2 ))
2.800 1.300 1.300 peak 602 weight 0.10000E+01 volume 0.32569E-02 ppm1 5.210 ppm2 1.690 CV 1
OR { 602}
(( segid "SH3 " and resid 328 and name HA ))
(( segid "SH3 " and resid 328 and name HG1 ))
ASSI { 603}
(( segid "SH3 " and resid 328 and name HA ))
(( segid "SH3 " and resid 328 and name HD2 ))
3.700 1.600 1.600 peak 603 weight 0.10000E+01 volume 0.19228E-02 ppm1 5.220 ppm2 1.450 CV 1
OR { 603}
(( segid "SH3 " and resid 328 and name HA ))
(( segid "SH3 " and resid 328 and name HD1 ))
ASSI { 3183}
(( segid "SH2 " and resid 21 and name HB ))
(( segid "SH2 " and resid 18 and name HA ))
2.700 1.300 1.300 peak 3183 weight 0.10000E+01 volume 0.30583E-02 ppm1 2.210 ppm2 3.940 CV 1
ASSI { 3186}
(( segid "SH2 " and resid 31 and name HB ))
( segid "SH2 " and resid 31 and name HG1%)
2.300 1.200 1.200 peak 3186 weight 0.10000E+01 volume 0.46759E-02 ppm1 2.110 ppm2 1.070 CV 1
ASSI { 3182}
(( segid "SH2 " and resid 113 and name HB1 ))
(( segid "SH2 " and resid 113 and name HA ))
2.900 1.500 1.500 peak 3182 weight 0.10000E+01 volume 0.22040E-02 ppm1 2.040 ppm2 5.000 CV 1
ASSI { 317}
(( segid "SH2 " and resid 24 and name HA ))
( segid "SH2 " and resid 24 and name HD1%)
2.800 1.000 1.000 peak 317 weight 0.10000E+01 volume 0.74562E-02 ppm1 4.160 ppm2 0.530 CV 1
ASSI { 1}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 10 and name HN ))
2.900 1.600 1.600 peak 1 weight 0.10000E+01 volume 0.17920E-02 ppm1 5.060 ppm2 6.750 CV 1
ASSI { 319}
(( segid "SH2 " and resid 24 and name HA ))
( segid "SH2 " and resid 24 and name HD2%)
3.300 1.400 1.400 peak 319 weight 0.10000E+01 volume 0.30077E-02 ppm1 4.170 ppm2 1.060 CV 1
ASSI { 240}
(( segid "SH2 " and resid 20 and name HA ))
(( segid "SH2 " and resid 21 and name HN ))
3.800 2.200 2.200 peak 240 weight 0.10000E+01 volume 0.60156E-03 ppm1 3.780 ppm2 8.370 CV 1
ASSI { 312}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 24 and name HN ))
2.600 1.500 1.500 peak 312 weight 0.10000E+01 volume 0.22596E-02 ppm1 4.170 ppm2 7.380 CV 1
ASSI { 2838}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 27 and name HG1 ))
2.300 1.100 1.100 peak 2838 weight 0.10000E+01 volume 0.51561E-02 ppm1 4.170 ppm2 2.330 CV 1
OR { 2838}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 27 and name HG2 ))
ASSI { 7}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 10 and name HB2 ))
2.600 1.200 1.200 peak 7 weight 0.10000E+01 volume 0.41704E-02 ppm1 5.060 ppm2 3.010 CV 1
ASSI { 3180}
(( segid "SH2 " and resid 20 and name HA ))
( segid "SH2 " and resid 23 and name HD1%)
2.600 1.300 1.300 peak 3180 weight 0.10000E+01 volume 0.32605E-02 ppm1 3.780 ppm2 -0.010 CV 1
ASSI { 2834}
(( segid "SH2 " and resid 20 and name HA ))
( segid "SH2 " and resid 33 and name HD2%)
2.900 1.700 1.700 peak 2834 weight 0.10000E+01 volume 0.13952E-02 ppm1 3.780 ppm2 0.650 CV 1
ASSI { 239}
(( segid "SH2 " and resid 20 and name HA ))
(( segid "SH2 " and resid 20 and name HN ))
2.700 1.400 1.400 peak 239 weight 0.10000E+01 volume 0.26286E-02 ppm1 3.780 ppm2 8.240 CV 1
ASSI { 5}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 33 and name HA ))
3.000 1.600 1.600 peak 5 weight 0.10000E+01 volume 0.18653E-02 ppm1 5.060 ppm2 4.740 CV 1
ASSI { 6}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 10 and name HB1 ))
2.400 1.200 1.200 peak 6 weight 0.10000E+01 volume 0.39429E-02 ppm1 5.060 ppm2 3.770 CV 1
ASSI { 313}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 27 and name HN ))
3.800 1.800 1.800 peak 313 weight 0.10000E+01 volume 0.10944E-02 ppm1 4.170 ppm2 7.850 CV 1
ASSI { 235}
(( segid "SH2 " and resid 20 and name HA ))
( segid "SH2 " and resid 20 and name HB% )
2.200 1.000 1.000 peak 235 weight 0.10000E+01 volume 0.78859E-02 ppm1 3.780 ppm2 1.410 CV 1
ASSI { 2833}
(( segid "SH2 " and resid 20 and name HA ))
( segid "SH2 " and resid 15 and name HD2%)
2.400 1.200 1.200 peak 2833 weight 0.10000E+01 volume 0.40946E-02 ppm1 3.780 ppm2 0.500 CV 1
ASSI { 3181}
(( segid "SH2 " and resid 20 and name HA ))
( segid "SH2 " and resid 33 and name HD1%)
3.100 1.300 1.300 peak 3181 weight 0.10000E+01 volume 0.34627E-02 ppm1 3.780 ppm2 -0.080 CV 1
ASSI { 2836}
(( segid "SH2 " and resid 96 and name HA ))
(( segid "SH2 " and resid 99 and name HB2 ))
2.400 1.200 1.200 peak 2836 weight 0.10000E+01 volume 0.49792E-02 ppm1 4.020 ppm2 1.990 CV 1
OR { 2836}
(( segid "SH2 " and resid 96 and name HA ))
(( segid "SH2 " and resid 99 and name HB1 ))
ASSI { 1158}
(( segid "SH2 " and resid 96 and name HA ))
( segid "SH2 " and resid 96 and name HB% )
2.100 0.900 0.900 peak 1158 weight 0.10000E+01 volume 0.10944E-01 ppm1 4.020 ppm2 1.580 CV 1
ASSI { 1133}
(( segid "SH2 " and resid 96 and name HA ))
(( segid "SH2 " and resid 99 and name HN ))
3.300 1.600 1.600 peak 1133 weight 0.10000E+01 volume 0.18147E-02 ppm1 4.020 ppm2 7.790 CV 1
ASSI { 320}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 24 and name HB1 ))
2.600 1.600 1.600 peak 320 weight 0.10000E+01 volume 0.15999E-02 ppm1 4.150 ppm2 1.690 CV 1
ASSI { 2594}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 10 and name HE3 ))
4.100 2.000 1.900 peak 2594 weight 0.10000E+01 volume 0.82142E-03 ppm1 3.780 ppm2 7.480 CV 1
ASSI { 229}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 10 and name HB2 ))
1.900 1.100 1.100 peak 229 weight 0.10000E+01 volume 0.55605E-02 ppm1 3.780 ppm2 3.010 CV 1
ASSI { 2596}
(( segid "SH2 " and resid 10 and name HB2 ))
(( segid "SH2 " and resid 33 and name HB2 ))
3.200 1.500 1.500 peak 2596 weight 0.10000E+01 volume 0.19436E-02 ppm1 3.010 ppm2 1.840 CV 1
OR { 2596}
(( segid "SH2 " and resid 10 and name HB2 ))
(( segid "SH2 " and resid 33 and name HB1 ))
ASSI { 18}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 10 and name HN ))
2.900 1.800 1.800 peak 18 weight 0.10000E+01 volume 0.12461E-02 ppm1 3.780 ppm2 6.740 CV 1
ASSI { 2595}
(( segid "SH2 " and resid 10 and name HB2 ))
(( segid "SH2 " and resid 10 and name HE3 ))
2.900 1.900 1.900 peak 2595 weight 0.10000E+01 volume 0.93265E-03 ppm1 3.000 ppm2 7.460 CV 1
ASSI { 2598}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 33 and name HB2 ))
3.300 3.300 2.700 peak 2598 weight 0.10000E+01 volume 0.32605E-02 ppm1 3.770 ppm2 1.840 CV 1
OR { 2598}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 33 and name HB1 ))
ASSI { 2525}
(( segid "SH2 " and resid 51 and name HA ))
(( segid "SH2 " and resid 52 and name HN ))
2.800 1.600 1.600 peak 2525 weight 0.10000E+01 volume 0.17490E-02 ppm1 4.230 ppm2 0.250 CV 1
ASSI { 2869}
(( segid "SH2 " and resid 111 and name HA ))
(( segid "SH2 " and resid 112 and name HN ))
2.200 1.100 1.100 peak 2869 weight 0.10000E+01 volume 0.54089E-02 ppm1 4.410 ppm2 -0.910 CV 1
ASSI { 730}
(( segid "SH2 " and resid 85 and name HA ))
( segid "SH2 " and resid 91 and name HD% )
3.900 2.100 2.100 peak 730 weight 0.10000E+01 volume 0.68245E-03 ppm1 5.340 ppm2 6.980 CV 1
ASSI { 2863}
(( segid "SH2 " and resid 104 and name HA ))
(( segid "SH2 " and resid 105 and name HA ))
3.900 1.900 1.900 peak 2863 weight 0.10000E+01 volume 0.10515E-02 ppm1 4.340 ppm2 3.790 CV 1
ASSI { 1673}
(( segid "SH2 " and resid 104 and name HA ))
(( segid "SH2 " and resid 105 and name HN ))
2.400 1.100 1.100 peak 1673 weight 0.10000E+01 volume 0.62177E-02 ppm1 4.360 ppm2 8.110 CV 1
ASSI { 1674}
(( segid "SH2 " and resid 104 and name HA ))
(( segid "SH2 " and resid 104 and name HB1 ))
2.900 1.400 1.400 peak 1674 weight 0.10000E+01 volume 0.29824E-02 ppm1 4.360 ppm2 2.990 CV 1
ASSI { 728}
(( segid "SH2 " and resid 85 and name HA ))
(( segid "SH2 " and resid 86 and name HN ))
2.000 1.000 1.000 peak 728 weight 0.10000E+01 volume 0.87451E-02 ppm1 5.320 ppm2 8.590 CV 1
ASSI { 729}
(( segid "SH2 " and resid 85 and name HA ))
(( segid "SH2 " and resid 85 and name HN ))
2.700 1.400 1.400 peak 729 weight 0.10000E+01 volume 0.23834E-02 ppm1 5.320 ppm2 8.990 CV 1
ASSI { 3309}
(( segid "SH2 " and resid 36 and name HA ))
(( segid "SH2 " and resid 44 and name HA ))
2.500 1.300 1.300 peak 3309 weight 0.10000E+01 volume 0.38671E-02 ppm1 4.890 ppm2 5.380 CV 1
ASSI { 294}
(( segid "SH2 " and resid 22 and name HA ))
( segid "SH2 " and resid 22 and name HB% )
2.100 0.800 0.800 peak 294 weight 0.10000E+01 volume 0.15670E-01 ppm1 4.050 ppm2 1.440 CV 1
ASSI { 293}
(( segid "SH2 " and resid 22 and name HA ))
(( segid "SH2 " and resid 22 and name HN ))
2.600 1.200 1.200 peak 293 weight 0.10000E+01 volume 0.46759E-02 ppm1 4.050 ppm2 7.640 CV 1
ASSI { 3307}
(( segid "SH2 " and resid 36 and name HA ))
( segid "SH2 " and resid 44 and name HD% )
3.000 1.500 1.500 peak 3307 weight 0.10000E+01 volume 0.21585E-02 ppm1 4.890 ppm2 7.050 CV 1
ASSI { 1680}
(( segid "SH2 " and resid 15 and name HA ))
( segid "SH2 " and resid 15 and name HD2%)
4.000 1.700 1.700 peak 1680 weight 0.10000E+01 volume 0.15468E-02 ppm1 4.440 ppm2 0.500 CV 1
ASSI { 1679}
(( segid "SH2 " and resid 111 and name HA ))
(( segid "SH2 " and resid 111 and name HG ))
2.400 1.400 1.400 peak 1679 weight 0.10000E+01 volume 0.24138E-02 ppm1 4.410 ppm2 0.800 CV 1
ASSI { 1677}
(( segid "SH2 " and resid 51 and name HA ))
(( segid "SH2 " and resid 51 and name HB2 ))
2.400 1.200 1.200 peak 1677 weight 0.10000E+01 volume 0.46759E-02 ppm1 4.230 ppm2 3.000 CV 1
ASSI { 167}
(( segid "SH2 " and resid 111 and name HA ))
( segid "SH2 " and resid 111 and name HD1%)
2.300 1.100 1.100 peak 167 weight 0.10000E+01 volume 0.53583E-02 ppm1 4.400 ppm2 0.270 CV 1
ASSI { 351}
(( segid "SH2 " and resid 27 and name HA ))
(( segid "SH2 " and resid 27 and name HE21))
3.300 1.800 1.800 peak 351 weight 0.10000E+01 volume 0.10818E-02 ppm1 4.260 ppm2 7.550 CV 1
ASSI { 1616}
(( segid "SH2 " and resid 36 and name HA ))
(( segid "SH2 " and resid 36 and name HB1 ))
2.800 1.300 1.300 peak 1616 weight 0.10000E+01 volume 0.33616E-02 ppm1 4.900 ppm2 2.760 CV 1
ASSI { 1617}
(( segid "SH2 " and resid 36 and name HA ))
(( segid "SH2 " and resid 36 and name HB2 ))
2.800 1.400 1.400 peak 1617 weight 0.10000E+01 volume 0.24213E-02 ppm1 4.890 ppm2 2.350 CV 1
ASSI { 2473}
(( segid "SH2 " and resid 51 and name HA ))
(( segid "SH2 " and resid 51 and name HB1 ))
2.700 1.400 1.400 peak 2473 weight 0.10000E+01 volume 0.28561E-02 ppm1 4.230 ppm2 2.710 CV 1
ASSI { 165}
(( segid "SH2 " and resid 15 and name HA ))
( segid "SH2 " and resid 15 and name HD1%)
2.300 1.100 1.100 peak 165 weight 0.10000E+01 volume 0.63439E-02 ppm1 4.440 ppm2 1.010 CV 1
ASSI { 163}
(( segid "SH2 " and resid 15 and name HA ))
(( segid "SH2 " and resid 15 and name HB2 ))
2.300 1.200 1.200 peak 163 weight 0.10000E+01 volume 0.40187E-02 ppm1 4.440 ppm2 1.540 CV 1
ASSI { 159}
(( segid "SH2 " and resid 15 and name HA ))
(( segid "SH2 " and resid 16 and name HN ))
2.100 1.000 1.000 peak 159 weight 0.10000E+01 volume 0.74562E-02 ppm1 4.440 ppm2 8.930 CV 1
ASSI { 3312}
(( segid "SH2 " and resid 56 and name HA ))
( segid "SH2 " and resid 54 and name HG2%)
3.500 1.800 1.800 peak 3312 weight 0.10000E+01 volume 0.11374E-02 ppm1 4.910 ppm2 0.380 CV 1
ASSI { 161}
(( segid "SH2 " and resid 111 and name HA ))
(( segid "SH2 " and resid 30 and name HA2 ))
2.500 1.700 1.700 peak 161 weight 0.10000E+01 volume 0.15595E-02 ppm1 4.400 ppm2 3.560 CV 1
ASSI { 162}
(( segid "SH2 " and resid 15 and name HA ))
(( segid "SH2 " and resid 15 and name HB1 ))
2.800 1.400 1.400 peak 162 weight 0.10000E+01 volume 0.27044E-02 ppm1 4.440 ppm2 1.740 CV 1
ASSI { 160}
(( segid "SH2 " and resid 15 and name HA ))
(( segid "SH2 " and resid 15 and name HN ))
2.800 1.500 1.500 peak 160 weight 0.10000E+01 volume 0.23202E-02 ppm1 4.440 ppm2 7.710 CV 1
ASSI { 3306}
(( segid "SH2 " and resid 36 and name HA ))
( segid "SH2 " and resid 44 and name HE% )
3.700 2.000 2.000 peak 3306 weight 0.10000E+01 volume 0.88465E-03 ppm1 4.920 ppm2 6.820 CV 1
ASSI { 3301}
(( segid "SH2 " and resid 56 and name HA ))
(( segid "SH2 " and resid 56 and name HN ))
3.100 1.800 1.800 peak 3301 weight 0.10000E+01 volume 0.11121E-02 ppm1 4.930 ppm2 8.480 CV 1
ASSI { 982}
(( segid "SH2 " and resid 90 and name HA ))
( segid "SH2 " and resid 91 and name HD% )
3.200 1.900 1.900 peak 982 weight 0.10000E+01 volume 0.10388E-02 ppm1 5.160 ppm2 6.960 CV 1
ASSI { 692}
(( segid "SH2 " and resid 53 and name HA ))
(( segid "SH2 " and resid 25 and name HE21))
3.500 2.000 2.000 peak 692 weight 0.10000E+01 volume 0.86189E-03 ppm1 5.170 ppm2 7.350 CV 1
ASSI { 2625}
(( segid "SH2 " and resid 53 and name HA ))
(( segid "SH2 " and resid 53 and name HD1 ))
4.300 1.700 1.700 peak 2625 weight 0.10000E+01 volume 0.13800E-02 ppm1 5.170 ppm2 3.220 CV 1
OR { 2625}
(( segid "SH2 " and resid 53 and name HA ))
(( segid "SH2 " and resid 53 and name HD2 ))
ASSI { 688}
(( segid "SH2 " and resid 90 and name HA ))
(( segid "SH2 " and resid 86 and name HN ))
3.000 1.600 1.600 peak 688 weight 0.10000E+01 volume 0.16277E-02 ppm1 5.160 ppm2 8.600 CV 1
ASSI { 690}
(( segid "SH2 " and resid 53 and name HA ))
(( segid "SH2 " and resid 54 and name HN ))
2.400 1.200 1.200 peak 690 weight 0.10000E+01 volume 0.46506E-02 ppm1 5.170 ppm2 7.930 CV 1
ASSI { 691}
(( segid "SH2 " and resid 90 and name HA ))
(( segid "SH2 " and resid 90 and name HN ))
2.800 1.500 1.500 peak 691 weight 0.10000E+01 volume 0.19765E-02 ppm1 5.170 ppm2 7.650 CV 1
ASSI { 686}
(( segid "SH2 " and resid 90 and name HA ))
(( segid "SH2 " and resid 91 and name HN ))
2.200 1.000 1.000 peak 686 weight 0.10000E+01 volume 0.71528E-02 ppm1 5.170 ppm2 9.000 CV 1
ASSI { 3303}
(( segid "SH2 " and resid 53 and name HA ))
( segid "SH2 " and resid 54 and name HG1%)
4.100 1.600 1.600 peak 3303 weight 0.10000E+01 volume 0.16378E-02 ppm1 5.170 ppm2 0.940 CV 1
ASSI { 2626}
(( segid "SH2 " and resid 90 and name HA ))
(( segid "SH2 " and resid 89 and name HA ))
3.800 1.800 1.800 peak 2626 weight 0.10000E+01 volume 0.11374E-02 ppm1 5.170 ppm2 4.180 CV 1
ASSI { 3313}
(( segid "SH2 " and resid 36 and name HA ))
( segid "SH2 " and resid 45 and name HG2%)
3.700 2.000 2.000 peak 3313 weight 0.10000E+01 volume 0.86693E-03 ppm1 4.930 ppm2 0.900 CV 1
ASSI { 685}
(( segid "SH2 " and resid 89 and name HA ))
(( segid "SH2 " and resid 90 and name HN ))
2.100 0.900 0.900 peak 685 weight 0.10000E+01 volume 0.12385E-01 ppm1 4.170 ppm2 7.650 CV 1
ASSI { 1021}
(( segid "SH2 " and resid 12 and name HD1 ))
(( segid "SH2 " and resid 12 and name HB2 ))
3.100 2.000 2.000 peak 1021 weight 0.10000E+01 volume 0.84417E-03 ppm1 7.450 ppm2 2.630 CV 1
ASSI { 1024}
(( segid "SH2 " and resid 12 and name HD1 ))
( segid "SH2 " and resid 33 and name HD2%)
4.100 2.000 1.900 peak 1024 weight 0.10000E+01 volume 0.88210E-03 ppm1 7.450 ppm2 0.620 CV 1
ASSI { 1020}
(( segid "SH2 " and resid 12 and name HD1 ))
(( segid "SH2 " and resid 12 and name HB1 ))
4.100 2.100 1.900 peak 1020 weight 0.10000E+01 volume 0.69507E-03 ppm1 7.450 ppm2 3.600 CV 1
ASSI { 1459}
(( segid "SH2 " and resid 12 and name HB1 ))
( segid "SH2 " and resid 15 and name HD2%)
3.100 1.700 1.700 peak 1459 weight 0.10000E+01 volume 0.14786E-02 ppm1 3.620 ppm2 0.500 CV 1
ASSI { 1025}
(( segid "SH2 " and resid 12 and name HD1 ))
(( segid "SH2 " and resid 12 and name HN ))
2.600 1.400 1.400 peak 1025 weight 0.10000E+01 volume 0.29824E-02 ppm1 7.450 ppm2 -0.670 CV 1
ASSI { 1493}
(( segid "SH2 " and resid 12 and name HB1 ))
(( segid "SH2 " and resid 12 and name HB2 ))
1.900 1.100 1.100 peak 1493 weight 0.10000E+01 volume 0.51561E-02 ppm1 3.620 ppm2 2.620 CV 1
ASSI { 1487}
(( segid "SH2 " and resid 12 and name HB1 ))
(( segid "SH2 " and resid 12 and name HE3 ))
2.600 1.500 1.500 peak 1487 weight 0.10000E+01 volume 0.19689E-02 ppm1 3.610 ppm2 7.580 CV 1
ASSI { 2897}
(( segid "SH2 " and resid 12 and name HB1 ))
(( segid "SH2 " and resid 15 and name HB2 ))
2.500 1.700 1.700 peak 2897 weight 0.10000E+01 volume 0.13699E-02 ppm1 3.620 ppm2 1.510 CV 1
ASSI { 108}
(( segid "SH2 " and resid 12 and name HB2 ))
(( segid "SH2 " and resid 13 and name HN ))
4.700 2.300 1.300 peak 108 weight 0.10000E+01 volume 0.53078E-03 ppm1 2.620 ppm2 5.270 CV 1
ASSI { 1488}
(( segid "SH2 " and resid 12 and name HB2 ))
(( segid "SH2 " and resid 12 and name HE3 ))
4.100 1.700 1.700 peak 1488 weight 0.10000E+01 volume 0.13472E-02 ppm1 2.610 ppm2 7.580 CV 1
ASSI { 1492}
(( segid "SH2 " and resid 104 and name HB2 ))
(( segid "SH2 " and resid 104 and name HA ))
3.000 1.600 1.600 peak 1492 weight 0.10000E+01 volume 0.15948E-02 ppm1 2.030 ppm2 4.370 CV 1
ASSI { 2889}
(( segid "SH2 " and resid 104 and name HB2 ))
(( segid "SH2 " and resid 103 and name HN ))
4.100 1.900 1.900 peak 2889 weight 0.10000E+01 volume 0.10060E-02 ppm1 2.040 ppm2 6.770 CV 1
ASSI { 2896}
(( segid "SH2 " and resid 12 and name HB2 ))
( segid "SH2 " and resid 33 and name HD2%)
3.800 1.900 1.900 peak 2896 weight 0.10000E+01 volume 0.98320E-03 ppm1 2.610 ppm2 0.620 CV 1
ASSI { 109}
(( segid "SH2 " and resid 12 and name HB1 ))
(( segid "SH2 " and resid 13 and name HN ))
3.900 2.200 2.100 peak 109 weight 0.10000E+01 volume 0.58639E-03 ppm1 3.610 ppm2 5.290 CV 1
ASSI { 1478}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 86 and name HA ))
4.500 2.200 1.500 peak 1478 weight 0.10000E+01 volume 0.65211E-03 ppm1 0.720 ppm2 4.820 CV 1
ASSI { 1476}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 91 and name HB1 ))
4.500 2.100 1.500 peak 1476 weight 0.10000E+01 volume 0.76328E-03 ppm1 0.710 ppm2 3.280 CV 1
ASSI { 845}
(( segid "SH2 " and resid 104 and name HB1 ))
(( segid "SH2 " and resid 104 and name HB2 ))
2.000 1.100 1.100 peak 845 weight 0.10000E+01 volume 0.61163E-02 ppm1 2.990 ppm2 2.030 CV 1
ASSI { 1475}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 94 and name HA ))
4.000 1.900 1.900 peak 1475 weight 0.10000E+01 volume 0.10262E-02 ppm1 0.700 ppm2 4.020 CV 1
ASSI { 1480}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 46 and name HG ))
2.900 1.500 1.500 peak 1480 weight 0.10000E+01 volume 0.20321E-02 ppm1 0.700 ppm2 1.900 CV 1
ASSI { 1481}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 97 and name HB1 ))
2.600 1.300 1.300 peak 1481 weight 0.10000E+01 volume 0.36649E-02 ppm1 0.700 ppm2 1.690 CV 1
OR { 1481}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 97 and name HB2 ))
ASSI { 840}
(( segid "SH2 " and resid 104 and name HB1 ))
(( segid "SH2 " and resid 104 and name HN ))
3.300 1.700 1.700 peak 840 weight 0.10000E+01 volume 0.13548E-02 ppm1 2.980 ppm2 7.540 CV 1
ASSI { 544}
(( segid "SH2 " and resid 43 and name HA ))
(( segid "SH2 " and resid 44 and name HN ))
2.300 1.200 1.200 peak 544 weight 0.10000E+01 volume 0.50045E-02 ppm1 5.070 ppm2 8.760 CV 1
ASSI { 1641}
(( segid "SH2 " and resid 43 and name HA ))
(( segid "SH2 " and resid 43 and name HB1 ))
2.700 1.400 1.400 peak 1641 weight 0.10000E+01 volume 0.29824E-02 ppm1 5.070 ppm2 2.970 CV 1
ASSI { 1644}
(( segid "SH2 " and resid 43 and name HA ))
(( segid "SH2 " and resid 61 and name HB1 ))
3.200 1.800 1.800 peak 1644 weight 0.10000E+01 volume 0.12739E-02 ppm1 5.070 ppm2 4.030 CV 1
ASSI { 546}
(( segid "SH2 " and resid 43 and name HA ))
( segid "SH2 " and resid 44 and name HD% )
4.000 1.900 1.900 peak 546 weight 0.10000E+01 volume 0.91748E-03 ppm1 5.070 ppm2 7.060 CV 1
ASSI { 1495}
(( segid "SH2 " and resid 104 and name HB2 ))
(( segid "SH2 " and resid 105 and name HN ))
4.200 2.000 1.800 peak 1495 weight 0.10000E+01 volume 0.79617E-03 ppm1 2.050 ppm2 8.090 CV 1
ASSI { 1500}
(( segid "SH2 " and resid 74 and name HB1 ))
(( segid "SH2 " and resid 74 and name HA ))
3.100 1.800 1.800 peak 1500 weight 0.10000E+01 volume 0.12258E-02 ppm1 2.030 ppm2 4.600 CV 1
ASSI { 1497}
(( segid "SH2 " and resid 104 and name HB2 ))
(( segid "SH2 " and resid 104 and name HN ))
2.500 1.300 1.300 peak 1497 weight 0.10000E+01 volume 0.32352E-02 ppm1 2.000 ppm2 7.530 CV 1
ASSI { 2903}
(( segid "SH2 " and resid 99 and name HB2 ))
(( segid "SH2 " and resid 95 and name HB1 ))
2.200 2.200 3.800 peak 2903 weight 0.10000E+01 volume 0.27044E-01 ppm1 2.010 ppm2 2.310 CV 1
OR { 2903}
(( segid "SH2 " and resid 99 and name HB1 ))
(( segid "SH2 " and resid 95 and name HB1 ))
ASSI { 1496}
(( segid "SH2 " and resid 99 and name HB2 ))
(( segid "SH2 " and resid 99 and name HN ))
2.300 1.100 1.100 peak 1496 weight 0.10000E+01 volume 0.57376E-02 ppm1 1.990 ppm2 7.780 CV 1
OR { 1496}
(( segid "SH2 " and resid 99 and name HB1 ))
(( segid "SH2 " and resid 99 and name HN ))
ASSI { 618}
(( segid "SH2 " and resid 84 and name HA ))
(( segid "SH2 " and resid 85 and name HN ))
2.300 1.100 1.100 peak 618 weight 0.10000E+01 volume 0.55605E-02 ppm1 5.190 ppm2 8.980 CV 1
ASSI { 621}
(( segid "SH2 " and resid 84 and name HA ))
(( segid "SH2 " and resid 84 and name HB1 ))
2.700 1.400 1.400 peak 621 weight 0.10000E+01 volume 0.27550E-02 ppm1 5.200 ppm2 1.580 CV 1
OR { 621}
(( segid "SH2 " and resid 84 and name HA ))
(( segid "SH2 " and resid 84 and name HB2 ))
ASSI { 617}
(( segid "SH2 " and resid 84 and name HA ))
(( segid "SH2 " and resid 84 and name HN ))
3.000 1.700 1.700 peak 617 weight 0.10000E+01 volume 0.13598E-02 ppm1 5.200 ppm2 8.710 CV 1
ASSI { 512}
(( segid "SH2 " and resid 35 and name HA ))
(( segid "SH2 " and resid 12 and name HN ))
3.100 1.800 1.800 peak 512 weight 0.10000E+01 volume 0.12637E-02 ppm1 5.360 ppm2 -0.670 CV 1
ASSI { 1527}
(( segid "SH2 " and resid 27 and name HB1 ))
( segid "SH2 " and resid 31 and name HG2%)
3.500 1.800 1.800 peak 1527 weight 0.10000E+01 volume 0.11071E-02 ppm1 2.070 ppm2 0.930 CV 1
OR { 1527}
(( segid "SH2 " and resid 27 and name HB2 ))
( segid "SH2 " and resid 31 and name HG2%)
ASSI { 1521}
(( segid "SH2 " and resid 27 and name HB1 ))
(( segid "SH2 " and resid 27 and name HA ))
3.000 1.700 1.700 peak 1521 weight 0.10000E+01 volume 0.13624E-02 ppm1 2.070 ppm2 4.250 CV 1
OR { 1521}
(( segid "SH2 " and resid 27 and name HB2 ))
(( segid "SH2 " and resid 27 and name HA ))
ASSI { 1514}
(( segid "SH2 " and resid 27 and name HB1 ))
(( segid "SH2 " and resid 28 and name HN ))
3.600 2.000 2.000 peak 1514 weight 0.10000E+01 volume 0.85680E-03 ppm1 2.050 ppm2 8.860 CV 1
OR { 1514}
(( segid "SH2 " and resid 27 and name HB2 ))
(( segid "SH2 " and resid 28 and name HN ))
ASSI { 511}
(( segid "SH2 " and resid 35 and name HA ))
(( segid "SH2 " and resid 35 and name HN ))
2.800 1.700 1.700 peak 511 weight 0.10000E+01 volume 0.13446E-02 ppm1 5.370 ppm2 -0.410 CV 1
ASSI { 1038}
(( segid "SH2 " and resid 12 and name HH2 ))
(( segid "SH2 " and resid 12 and name HE3 ))
4.300 2.000 1.700 peak 1038 weight 0.10000E+01 volume 0.82142E-03 ppm1 7.110 ppm2 7.590 CV 1
ASSI { 1526}
(( segid "SH2 " and resid 27 and name HB2 ))
( segid "SH2 " and resid 24 and name HD1%)
4.700 2.000 1.300 peak 1526 weight 0.10000E+01 volume 0.84168E-03 ppm1 2.060 ppm2 0.540 CV 1
OR { 1526}
(( segid "SH2 " and resid 27 and name HB1 ))
( segid "SH2 " and resid 24 and name HD1%)
ASSI { 2746}
(( segid "SH2 " and resid 29 and name HB2 ))
(( segid "SH2 " and resid 30 and name HA1 ))
3.300 1.600 1.600 peak 2746 weight 0.10000E+01 volume 0.15948E-02 ppm1 3.130 ppm2 4.730 CV 1
OR { 2746}
(( segid "SH2 " and resid 29 and name HB1 ))
(( segid "SH2 " and resid 30 and name HA1 ))
ASSI { 510}
(( segid "SH2 " and resid 35 and name HA ))
(( segid "SH2 " and resid 35 and name HB2 ))
2.500 1.300 1.300 peak 510 weight 0.10000E+01 volume 0.31594E-02 ppm1 5.360 ppm2 1.460 CV 1
ASSI { 508}
(( segid "SH2 " and resid 35 and name HA ))
(( segid "SH2 " and resid 13 and name HA1 ))
4.400 2.000 1.600 peak 508 weight 0.10000E+01 volume 0.81134E-03 ppm1 5.370 ppm2 3.610 CV 1
ASSI { 509}
(( segid "SH2 " and resid 35 and name HA ))
(( segid "SH2 " and resid 35 and name HB1 ))
2.500 1.400 1.400 peak 509 weight 0.10000E+01 volume 0.28813E-02 ppm1 5.360 ppm2 2.400 CV 1
ASSI { 505}
(( segid "SH2 " and resid 35 and name HA ))
( segid "SH2 " and resid 11 and name HD% )
3.300 1.800 1.800 peak 505 weight 0.10000E+01 volume 0.11247E-02 ppm1 5.370 ppm2 7.030 CV 1
ASSI { 506}
(( segid "SH2 " and resid 35 and name HA ))
( segid "SH2 " and resid 11 and name HE% )
3.400 1.800 1.800 peak 506 weight 0.10000E+01 volume 0.11247E-02 ppm1 5.380 ppm2 6.970 CV 1
ASSI { 2745}
(( segid "SH2 " and resid 29 and name HB1 ))
(( segid "SH2 " and resid 29 and name HA ))
2.900 1.600 1.600 peak 2745 weight 0.10000E+01 volume 0.16429E-02 ppm1 3.130 ppm2 4.580 CV 1
OR { 2745}
(( segid "SH2 " and resid 29 and name HB2 ))
(( segid "SH2 " and resid 29 and name HA ))
ASSI { 137}
(( segid "SH2 " and resid 10 and name HH2 ))
( segid "SH2 " and resid 94 and name HD2%)
4.200 1.800 1.800 peak 137 weight 0.10000E+01 volume 0.12182E-02 ppm1 6.950 ppm2 0.370 CV 1
ASSI { 131}
(( segid "SH2 " and resid 10 and name HH2 ))
(( segid "SH2 " and resid 95 and name HD1 ))
3.000 1.900 1.900 peak 131 weight 0.10000E+01 volume 0.10034E-02 ppm1 6.950 ppm2 3.780 CV 1
OR { 131}
(( segid "SH2 " and resid 10 and name HH2 ))
(( segid "SH2 " and resid 95 and name HD2 ))
ASSI { 134}
(( segid "SH2 " and resid 10 and name HH2 ))
(( segid "SH2 " and resid 94 and name HB2 ))
2.800 1.700 1.700 peak 134 weight 0.10000E+01 volume 0.14685E-02 ppm1 6.940 ppm2 1.170 CV 1
OR { 134}
(( segid "SH2 " and resid 10 and name HH2 ))
(( segid "SH2 " and resid 94 and name HB1 ))
ASSI { 130}
(( segid "SH2 " and resid 10 and name HH2 ))
(( segid "SH2 " and resid 10 and name HZ3 ))
2.400 1.300 1.300 peak 130 weight 0.10000E+01 volume 0.31594E-02 ppm1 6.940 ppm2 6.760 CV 1
ASSI { 3406}
(( segid "SH2 " and resid 73 and name HA ))
( segid "SH2 " and resid 73 and name HB% )
2.800 1.300 1.300 peak 3406 weight 0.10000E+01 volume 0.32605E-02 ppm1 4.290 ppm2 1.330 CV 1
ASSI { 3409}
(( segid "SH2 " and resid 73 and name HA ))
(( segid "SH2 " and resid 73 and name HN ))
3.300 1.800 1.800 peak 3409 weight 0.10000E+01 volume 0.11728E-02 ppm1 4.290 ppm2 7.950 CV 1
ASSI { 1319}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 47 and name HB1 ))
3.900 1.900 1.900 peak 1319 weight 0.10000E+01 volume 0.99333E-03 ppm1 -0.090 ppm2 3.530 CV 1
ASSI { 1316}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 12 and name HD1 ))
3.200 1.800 1.800 peak 1316 weight 0.10000E+01 volume 0.12410E-02 ppm1 -0.090 ppm2 7.430 CV 1
ASSI { 2532}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 35 and name HB2 ))
3.300 1.200 1.200 peak 2532 weight 0.10000E+01 volume 0.41704E-02 ppm1 -0.090 ppm2 1.450 CV 1
ASSI { 452}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 33 and name HB2 ))
2.300 1.200 1.200 peak 452 weight 0.10000E+01 volume 0.46759E-02 ppm1 -0.090 ppm2 1.780 CV 1
OR { 452}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 33 and name HB1 ))
ASSI { 1537}
( segid "SH2 " and resid 33 and name HD1%)
( segid "SH2 " and resid 115 and name HG2%)
3.400 1.200 1.200 peak 1537 weight 0.10000E+01 volume 0.51056E-02 ppm1 -0.090 ppm2 0.810 CV 1
ASSI { 448}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 33 and name HA ))
3.900 2.000 2.000 peak 448 weight 0.10000E+01 volume 0.87197E-03 ppm1 -0.090 ppm2 4.770 CV 1
ASSI { 326}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 47 and name HA ))
4.100 2.000 1.900 peak 326 weight 0.10000E+01 volume 0.83659E-03 ppm1 0.550 ppm2 5.750 CV 1
ASSI { 2803}
(( segid "SH2 " and resid 17 and name HG2 ))
(( segid "SH2 " and resid 56 and name HD2 ))
3.900 2.100 2.100 peak 2803 weight 0.10000E+01 volume 0.67232E-03 ppm1 1.990 ppm2 7.000 CV 1
OR { 2803}
(( segid "SH2 " and resid 17 and name HG1 ))
(( segid "SH2 " and resid 56 and name HD2 ))
ASSI { 322}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 48 and name HN ))
3.900 2.000 2.000 peak 322 weight 0.10000E+01 volume 0.84927E-03 ppm1 0.550 ppm2 8.780 CV 1
ASSI { 329}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 47 and name HB1 ))
2.400 1.300 1.300 peak 329 weight 0.10000E+01 volume 0.35638E-02 ppm1 0.550 ppm2 3.500 CV 1
ASSI { 327}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 48 and name HA ))
3.600 1.500 1.500 peak 327 weight 0.10000E+01 volume 0.19714E-02 ppm1 0.550 ppm2 4.990 CV 1
ASSI { 1558}
(( segid "SH2 " and resid 95 and name HG1 ))
(( segid "SH2 " and resid 10 and name HZ3 ))
4.700 2.100 1.300 peak 1558 weight 0.10000E+01 volume 0.75321E-03 ppm1 1.830 ppm2 6.730 CV 1
OR { 1558}
(( segid "SH2 " and resid 95 and name HG2 ))
(( segid "SH2 " and resid 10 and name HZ3 ))
ASSI { 334}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 24 and name HB1 ))
3.000 1.100 1.100 peak 334 weight 0.10000E+01 volume 0.54594E-02 ppm1 0.550 ppm2 1.670 CV 1
ASSI { 324}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 24 and name HN ))
2.900 1.600 1.600 peak 324 weight 0.10000E+01 volume 0.16909E-02 ppm1 0.550 ppm2 7.390 CV 1
ASSI { 1562}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 54 and name HA ))
4.800 2.100 1.200 peak 1562 weight 0.10000E+01 volume 0.74058E-03 ppm1 0.550 ppm2 4.790 CV 1
ASSI { 333}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 24 and name HB2 ))
2.000 1.000 1.000 peak 333 weight 0.10000E+01 volume 0.70770E-02 ppm1 0.550 ppm2 1.480 CV 1
ASSI { 3377}
(( segid "SH2 " and resid 117 and name HG2 ))
(( segid "SH2 " and resid 117 and name HA ))
2.800 1.300 1.300 peak 3377 weight 0.10000E+01 volume 0.32099E-02 ppm1 1.460 ppm2 4.390 CV 1
OR { 3377}
(( segid "SH2 " and resid 117 and name HG1 ))
(( segid "SH2 " and resid 117 and name HA ))
ASSI { 2689}
( segid "SH2 " and resid 24 and name HD1%)
( segid "SH2 " and resid 33 and name HD1%)
3.300 1.200 1.200 peak 2689 weight 0.10000E+01 volume 0.38923E-02 ppm1 0.540 ppm2 -0.090 CV 1
ASSI { 2938}
( segid "SH2 " and resid 15 and name HD2%)
(( segid "SH2 " and resid 15 and name HB2 ))
2.300 1.000 1.000 peak 2938 weight 0.10000E+01 volume 0.78604E-02 ppm1 0.500 ppm2 1.520 CV 1
ASSI { 3260}
( segid "SH2 " and resid 15 and name HD2%)
( segid "SH2 " and resid 15 and name HD1%)
2.200 1.000 1.000 peak 3260 weight 0.10000E+01 volume 0.86189E-02 ppm1 0.500 ppm2 1.010 CV 1
ASSI { 3259}
( segid "SH2 " and resid 15 and name HD2%)
(( segid "SH2 " and resid 15 and name HB1 ))
2.100 1.100 1.100 peak 3259 weight 0.10000E+01 volume 0.55352E-02 ppm1 0.500 ppm2 1.740 CV 1
ASSI { 2936}
( segid "SH2 " and resid 15 and name HD2%)
(( segid "SH2 " and resid 12 and name HB2 ))
2.800 1.500 1.500 peak 2936 weight 0.10000E+01 volume 0.21838E-02 ppm1 0.500 ppm2 2.610 CV 1
ASSI { 181}
( segid "SH2 " and resid 15 and name HD2%)
(( segid "SH2 " and resid 16 and name HN ))
4.500 2.000 1.500 peak 181 weight 0.10000E+01 volume 0.79113E-03 ppm1 0.500 ppm2 8.930 CV 1
ASSI { 1391}
(( segid "SH2 " and resid 53 and name HG1 ))
(( segid "SH2 " and resid 53 and name HA ))
3.300 1.400 1.400 peak 1391 weight 0.10000E+01 volume 0.23834E-02 ppm1 1.660 ppm2 5.180 CV 1
OR { 1391}
(( segid "SH2 " and resid 53 and name HG2 ))
(( segid "SH2 " and resid 53 and name HA ))
ASSI { 1386}
(( segid "SH2 " and resid 53 and name HG1 ))
(( segid "SH2 " and resid 54 and name HN ))
3.400 1.400 1.400 peak 1386 weight 0.10000E+01 volume 0.23860E-02 ppm1 1.650 ppm2 7.930 CV 1
OR { 1386}
(( segid "SH2 " and resid 53 and name HG2 ))
(( segid "SH2 " and resid 54 and name HN ))
ASSI { 3388}
(( segid "SH2 " and resid 114 and name HD1 ))
( segid "SH2 " and resid 32 and name HD% )
3.900 1.900 1.900 peak 3388 weight 0.10000E+01 volume 0.10464E-02 ppm1 3.720 ppm2 6.720 CV 1
ASSI { 865}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "SH2 " and resid 107 and name HN ))
5.000 1.800 1.000 peak 865 weight 0.10000E+01 volume 0.11020E-02 ppm1 0.360 ppm2 8.450 CV 1
ASSI { 866}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "SH2 " and resid 106 and name HN ))
3.500 1.500 1.500 peak 866 weight 0.10000E+01 volume 0.19411E-02 ppm1 0.360 ppm2 7.890 CV 1
ASSI { 1279}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "SH2 " and resid 106 and name HA ))
2.900 1.500 1.500 peak 1279 weight 0.10000E+01 volume 0.23101E-02 ppm1 0.360 ppm2 4.110 CV 1
ASSI { 1282}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "SH2 " and resid 106 and name HB1 ))
3.300 3.300 2.700 peak 1282 weight 0.10000E+01 volume 0.36901E-02 ppm1 0.360 ppm2 1.670 CV 1
ASSI { 879}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "SH2 " and resid 106 and name HB2 ))
1.900 0.900 0.900 peak 879 weight 0.10000E+01 volume 0.13168E-01 ppm1 0.370 ppm2 1.240 CV 1
ASSI { 878}
( segid "SH2 " and resid 106 and name HD1%)
( segid "SH2 " and resid 106 and name HD2%)
2.200 0.900 0.900 peak 878 weight 0.10000E+01 volume 0.11121E-01 ppm1 0.360 ppm2 -0.670 CV 1
ASSI { 1278}
( segid "SH2 " and resid 106 and name HD1%)
( segid "SH2 " and resid 57 and name HE% )
3.900 1.600 1.600 peak 1278 weight 0.10000E+01 volume 0.17794E-02 ppm1 0.360 ppm2 6.370 CV 1
ASSI { 1696}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HD1 ))
4.200 1.900 1.800 peak 1696 weight 0.10000E+01 volume 0.98065E-03 ppm1 0.360 ppm2 3.790 CV 1
ASSI { 2948}
( segid "SH2 " and resid 106 and name HD1%)
( segid "SH2 " and resid 100 and name HE% )
3.100 3.100 2.900 peak 2948 weight 0.10000E+01 volume 0.16581E-02 ppm1 0.370 ppm2 7.030 CV 1
ASSI { 1283}
( segid "SH2 " and resid 106 and name HD1%)
( segid "SH2 " and resid 48 and name HG2%)
2.900 2.900 3.100 peak 1283 weight 0.10000E+01 volume 0.80121E-02 ppm1 0.370 ppm2 0.900 CV 1
OR { 1283}
( segid "SH2 " and resid 106 and name HD1%)
( segid "SH2 " and resid 48 and name HG1%)
ASSI { 2949}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "SH2 " and resid 101 and name HB1 ))
3.300 1.600 1.600 peak 2949 weight 0.10000E+01 volume 0.16934E-02 ppm1 0.370 ppm2 3.320 CV 1
ASSI { 1698}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 32 and name HB2 ))
4.100 2.000 1.900 peak 1698 weight 0.10000E+01 volume 0.82900E-03 ppm1 0.370 ppm2 2.650 CV 1
ASSI { 1281}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 57 and name HB2 ))
4.100 1.800 1.800 peak 1281 weight 0.10000E+01 volume 0.10793E-02 ppm1 0.370 ppm2 2.810 CV 1
ASSI { 1292}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 56 and name HA ))
4.300 2.100 1.700 peak 1292 weight 0.10000E+01 volume 0.74811E-03 ppm1 0.380 ppm2 4.940 CV 1
ASSI { 1285}
( segid "SH2 " and resid 106 and name HD1%)
( segid "SH2 " and resid 57 and name HD% )
3.700 1.500 1.500 peak 1285 weight 0.10000E+01 volume 0.21787E-02 ppm1 0.370 ppm2 6.710 CV 1
ASSI { 3394}
(( segid "SH2 " and resid 41 and name HD2 ))
(( segid "SH2 " and resid 40 and name HA ))
2.300 1.200 1.200 peak 3394 weight 0.10000E+01 volume 0.47517E-02 ppm1 3.520 ppm2 4.880 CV 1
ASSI { 3392}
(( segid "SH2 " and resid 114 and name HD1 ))
(( segid "SH2 " and resid 113 and name HA ))
2.400 1.000 1.000 peak 3392 weight 0.10000E+01 volume 0.69756E-02 ppm1 3.720 ppm2 4.990 CV 1
ASSI { 2241}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 46 and name HA ))
2.900 1.900 1.900 peak 2241 weight 0.10000E+01 volume 0.10287E-02 ppm1 0.380 ppm2 5.150 CV 1
ASSI { 2957}
( segid "SH2 " and resid 23 and name HD1%)
(( segid "SH2 " and resid 23 and name HB2 ))
2.400 1.100 1.100 peak 2957 weight 0.10000E+01 volume 0.63948E-02 ppm1 0.000 ppm2 1.510 CV 1
OR { 2957}
( segid "SH2 " and resid 23 and name HD1%)
(( segid "SH2 " and resid 23 and name HB1 ))
ASSI { 2958}
( segid "SH2 " and resid 23 and name HD1%)
(( segid "SH2 " and resid 12 and name HH2 ))
2.900 1.400 1.400 peak 2958 weight 0.10000E+01 volume 0.27550E-02 ppm1 0.000 ppm2 7.080 CV 1
ASSI { 2270}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 101 and name HB2 ))
3.500 1.500 1.500 peak 2270 weight 0.10000E+01 volume 0.23253E-02 ppm1 -0.010 ppm2 2.180 CV 1
ASSI { 2274}
( segid "SH2 " and resid 84 and name HD1%)
( segid "SH2 " and resid 94 and name HD2%)
3.100 1.500 1.500 peak 2274 weight 0.10000E+01 volume 0.19487E-02 ppm1 0.680 ppm2 0.370 CV 1
ASSI { 2960}
( segid "SH2 " and resid 84 and name HD1%)
( segid "SH2 " and resid 44 and name HD% )
3.400 1.900 1.900 peak 2960 weight 0.10000E+01 volume 0.10135E-02 ppm1 0.680 ppm2 7.030 CV 1
ASSI { 2966}
(( segid "SH2 " and resid 102 and name HG2 ))
(( segid "SH2 " and resid 102 and name HB1 ))
2.100 0.900 0.900 peak 2966 weight 0.10000E+01 volume 0.10160E-01 ppm1 1.220 ppm2 1.630 CV 1
OR { 2966}
(( segid "SH2 " and resid 102 and name HG1 ))
(( segid "SH2 " and resid 102 and name HB2 ))
OR { 2966}
(( segid "SH2 " and resid 102 and name HG2 ))
(( segid "SH2 " and resid 102 and name HB2 ))
OR { 2966}
(( segid "SH2 " and resid 102 and name HG1 ))
(( segid "SH2 " and resid 102 and name HB1 ))
ASSI { 2263}
(( segid "SH2 " and resid 102 and name HG1 ))
(( segid "SH2 " and resid 102 and name HA ))
2.700 1.600 1.600 peak 2263 weight 0.10000E+01 volume 0.18097E-02 ppm1 1.210 ppm2 4.550 CV 1
OR { 2263}
(( segid "SH2 " and resid 102 and name HG2 ))
(( segid "SH2 " and resid 102 and name HA ))
ASSI { 2284}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 111 and name HN ))
2.700 1.600 1.600 peak 2284 weight 0.10000E+01 volume 0.15948E-02 ppm1 -0.020 ppm2 8.940 CV 1
ASSI { 2965}
(( segid "SH2 " and resid 102 and name HG1 ))
(( segid "SH2 " and resid 102 and name HD2 ))
2.400 1.200 1.200 peak 2965 weight 0.10000E+01 volume 0.39935E-02 ppm1 1.220 ppm2 1.860 CV 1
OR { 2965}
(( segid "SH2 " and resid 102 and name HG2 ))
(( segid "SH2 " and resid 102 and name HD2 ))
OR { 2965}
(( segid "SH2 " and resid 102 and name HG1 ))
(( segid "SH2 " and resid 102 and name HD1 ))
OR { 2965}
(( segid "SH2 " and resid 102 and name HG2 ))
(( segid "SH2 " and resid 102 and name HD1 ))
ASSI { 2259}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 94 and name HA ))
2.600 2.600 3.400 peak 2259 weight 0.10000E+01 volume 0.32099E-02 ppm1 0.680 ppm2 4.020 CV 1
ASSI { 2962}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 84 and name HA ))
3.700 3.700 2.300 peak 2962 weight 0.10000E+01 volume 0.12663E-02 ppm1 0.690 ppm2 5.180 CV 1
ASSI { 2271}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 111 and name HB1 ))
2.800 1.000 1.000 peak 2271 weight 0.10000E+01 volume 0.74562E-02 ppm1 -0.020 ppm2 1.290 CV 1
ASSI { 2258}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 101 and name HB1 ))
2.500 1.300 1.300 peak 2258 weight 0.10000E+01 volume 0.37407E-02 ppm1 -0.010 ppm2 3.350 CV 1
ASSI { 2963}
( segid "SH2 " and resid 111 and name HD2%)
(( segid "SH2 " and resid 111 and name HA ))
3.900 1.700 1.700 peak 2963 weight 0.10000E+01 volume 0.14659E-02 ppm1 -0.010 ppm2 4.420 CV 1
ASSI { 2256}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 83 and name HA ))
3.900 1.500 1.500 peak 2256 weight 0.10000E+01 volume 0.23682E-02 ppm1 0.680 ppm2 4.560 CV 1
ASSI { 2277}
(( segid "SH2 " and resid 98 and name HG ))
( segid "SH2 " and resid 98 and name HD1%)
2.600 1.500 1.500 peak 2277 weight 0.10000E+01 volume 0.19386E-02 ppm1 1.230 ppm2 -0.440 CV 1
ASSI { 722}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 84 and name HN ))
4.300 2.000 1.700 peak 722 weight 0.10000E+01 volume 0.83659E-03 ppm1 0.690 ppm2 8.700 CV 1
ASSI { 2260}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 95 and name HD2 ))
4.000 1.700 1.700 peak 2260 weight 0.10000E+01 volume 0.13699E-02 ppm1 0.680 ppm2 3.810 CV 1
OR { 2260}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 95 and name HD1 ))
ASSI { 2526}
( segid "SH2 " and resid 111 and name HD2%)
( segid "SH2 " and resid 98 and name HD1%)
4.600 2.100 1.400 peak 2526 weight 0.10000E+01 volume 0.71528E-03 ppm1 -0.020 ppm2 -0.440 CV 1
ASSI { 2527}
( segid "SH2 " and resid 111 and name HD2%)
( segid "SH2 " and resid 106 and name HD2%)
3.000 3.000 3.000 peak 2527 weight 0.10000E+01 volume 0.72032E-03 ppm1 -0.020 ppm2 -0.670 CV 1
ASSI { 2269}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 33 and name HG ))
2.000 1.000 1.000 peak 2269 weight 0.10000E+01 volume 0.95037E-02 ppm1 0.630 ppm2 1.610 CV 1
ASSI { 2262}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 47 and name HB2 ))
2.700 1.400 1.400 peak 2262 weight 0.10000E+01 volume 0.27297E-02 ppm1 0.630 ppm2 3.400 CV 1
ASSI { 2261}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 35 and name HD1 ))
3.000 1.400 1.400 peak 2261 weight 0.10000E+01 volume 0.29824E-02 ppm1 0.630 ppm2 3.520 CV 1
OR { 2261}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 35 and name HD2 ))
ASSI { 2961}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 35 and name HA ))
4.000 2.000 2.000 peak 2961 weight 0.10000E+01 volume 0.81383E-03 ppm1 0.630 ppm2 5.360 CV 1
ASSI { 2252}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 32 and name HA ))
4.400 2.000 1.600 peak 2252 weight 0.10000E+01 volume 0.82142E-03 ppm1 0.640 ppm2 5.960 CV 1
ASSI { 2253}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 34 and name HA ))
3.200 1.900 1.900 peak 2253 weight 0.10000E+01 volume 0.93520E-03 ppm1 0.640 ppm2 5.800 CV 1
ASSI { 2692}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 35 and name HE ))
3.800 2.000 2.000 peak 2692 weight 0.10000E+01 volume 0.88465E-03 ppm1 0.630 ppm2 6.440 CV 1
ASSI { 2808}
(( segid "SH2 " and resid 64 and name HD1 ))
(( segid "SH2 " and resid 63 and name HA1 ))
2.100 0.900 0.900 peak 2808 weight 0.10000E+01 volume 0.12410E-01 ppm1 3.580 ppm2 4.140 CV 1
OR { 2808}
(( segid "SH2 " and resid 64 and name HD2 ))
(( segid "SH2 " and resid 63 and name HA1 ))
OR { 2808}
(( segid "SH2 " and resid 64 and name HD1 ))
(( segid "SH2 " and resid 63 and name HA2 ))
ASSI { 2283}
(( segid "SH2 " and resid 64 and name HD1 ))
(( segid "SH2 " and resid 63 and name HN ))
4.200 2.100 1.800 peak 2283 weight 0.10000E+01 volume 0.72032E-03 ppm1 3.590 ppm2 8.280 CV 1
OR { 2283}
(( segid "SH2 " and resid 64 and name HD2 ))
(( segid "SH2 " and resid 63 and name HN ))
ASSI { 2287}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 47 and name HN ))
3.300 1.700 1.700 peak 2287 weight 0.10000E+01 volume 0.14457E-02 ppm1 0.630 ppm2 -0.940 CV 1
ASSI { 727}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 35 and name HN ))
4.200 1.800 1.800 peak 727 weight 0.10000E+01 volume 0.11374E-02 ppm1 0.630 ppm2 -0.410 CV 1
ASSI { 726}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 33 and name HN ))
3.000 1.300 1.300 peak 726 weight 0.10000E+01 volume 0.38165E-02 ppm1 0.630 ppm2 -0.670 CV 1
ASSI { 2292}
( segid "SH2 " and resid 33 and name HD2%)
(( segid "SH2 " and resid 33 and name HA ))
4.200 1.700 1.700 peak 2292 weight 0.10000E+01 volume 0.14381E-02 ppm1 0.630 ppm2 4.770 CV 1
ASSI { 1104}
(( segid "SH2 " and resid 56 and name HE1 ))
(( segid "SH2 " and resid 56 and name HB2 ))
3.900 1.900 1.900 peak 1104 weight 0.10000E+01 volume 0.10439E-02 ppm1 7.020 ppm2 2.690 CV 1
ASSI { 3289}
(( segid "SH2 " and resid 56 and name HD2 ))
(( segid "SH2 " and resid 55 and name HA ))
3.600 2.000 2.000 peak 3289 weight 0.10000E+01 volume 0.79872E-03 ppm1 7.020 ppm2 4.490 CV 1
ASSI { 1103}
(( segid "SH2 " and resid 56 and name HE1 ))
(( segid "SH2 " and resid 56 and name HB1 ))
3.900 1.700 1.700 peak 1103 weight 0.10000E+01 volume 0.14432E-02 ppm1 7.010 ppm2 3.040 CV 1
ASSI { 200}
( segid "SH2 " and resid 15 and name HD1%)
(( segid "SH2 " and resid 12 and name HB1 ))
3.200 1.800 1.800 peak 200 weight 0.10000E+01 volume 0.12107E-02 ppm1 1.020 ppm2 3.620 CV 1
ASSI { 197}
( segid "SH2 " and resid 15 and name HD1%)
(( segid "SH2 " and resid 12 and name HH2 ))
4.000 1.900 1.900 peak 197 weight 0.10000E+01 volume 0.10464E-02 ppm1 1.020 ppm2 7.070 CV 1
ASSI { 201}
( segid "SH2 " and resid 15 and name HD1%)
(( segid "SH2 " and resid 12 and name HB2 ))
4.300 1.900 1.700 peak 201 weight 0.10000E+01 volume 0.91493E-03 ppm1 1.010 ppm2 2.610 CV 1
ASSI { 2970}
( segid "SH2 " and resid 15 and name HD1%)
(( segid "SH2 " and resid 12 and name HE3 ))
2.600 1.400 1.400 peak 2970 weight 0.10000E+01 volume 0.29572E-02 ppm1 1.020 ppm2 7.590 CV 1
ASSI { 3291}
(( segid "SH2 " and resid 56 and name HD2 ))
( segid "SH2 " and resid 21 and name HG1%)
3.000 3.000 3.000 peak 3291 weight 0.10000E+01 volume 0.67735E-03 ppm1 7.010 ppm2 1.230 CV 1
ASSI { 1076}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 46 and name HG ))
2.300 1.200 1.200 peak 1076 weight 0.10000E+01 volume 0.45495E-02 ppm1 0.370 ppm2 1.910 CV 1
ASSI { 1075}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 46 and name HB1 ))
2.600 0.900 0.900 peak 1075 weight 0.10000E+01 volume 0.98824E-02 ppm1 0.370 ppm2 1.370 CV 1
ASSI { 1074}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 94 and name HB2 ))
2.300 1.100 1.100 peak 1074 weight 0.10000E+01 volume 0.52825E-02 ppm1 0.370 ppm2 1.180 CV 1
OR { 1074}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 94 and name HB1 ))
ASSI { 1063}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 10 and name HH2 ))
2.800 1.400 1.400 peak 1063 weight 0.10000E+01 volume 0.29319E-02 ppm1 0.370 ppm2 6.950 CV 1
ASSI { 2976}
( segid "SH2 " and resid 54 and name HG2%)
(( segid "SH2 " and resid 20 and name HA ))
2.700 2.700 3.300 peak 2976 weight 0.10000E+01 volume 0.14280E-02 ppm1 0.370 ppm2 3.780 CV 1
ASSI { 1064}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 10 and name HZ3 ))
2.300 1.300 1.300 peak 1064 weight 0.10000E+01 volume 0.33616E-02 ppm1 0.370 ppm2 6.760 CV 1
ASSI { 1069}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 44 and name HB2 ))
4.000 1.900 1.900 peak 1069 weight 0.10000E+01 volume 0.95541E-03 ppm1 0.370 ppm2 2.700 CV 1
ASSI { 53}
(( segid "SH2 " and resid 12 and name HE3 ))
( segid "SH2 " and resid 15 and name HD2%)
3.800 1.900 1.900 peak 53 weight 0.10000E+01 volume 0.10413E-02 ppm1 7.580 ppm2 0.510 CV 1
ASSI { 992}
(( segid "SH2 " and resid 10 and name HZ3 ))
(( segid "SH2 " and resid 10 and name HE3 ))
2.800 1.800 1.800 peak 992 weight 0.10000E+01 volume 0.12233E-02 ppm1 6.750 ppm2 7.470 CV 1
ASSI { 1061}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 10 and name HZ2 ))
4.600 1.900 1.400 peak 1061 weight 0.10000E+01 volume 0.92761E-03 ppm1 0.360 ppm2 7.450 CV 1
ASSI { 772}
( segid "SH2 " and resid 46 and name HD1%)
( segid "SH2 " and resid 32 and name HE% )
4.100 1.700 1.700 peak 772 weight 0.10000E+01 volume 0.14963E-02 ppm1 0.580 ppm2 7.620 CV 1
ASSI { 2306}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 32 and name HB1 ))
3.200 1.300 1.300 peak 2306 weight 0.10000E+01 volume 0.31594E-02 ppm1 0.570 ppm2 3.230 CV 1
ASSI { 779}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 46 and name HA ))
2.400 1.200 1.200 peak 779 weight 0.10000E+01 volume 0.48275E-02 ppm1 0.570 ppm2 5.150 CV 1
ASSI { 777}
( segid "SH2 " and resid 46 and name HD1%)
( segid "SH2 " and resid 98 and name HD2%)
1.900 0.900 0.900 peak 777 weight 0.10000E+01 volume 0.11121E-01 ppm1 0.570 ppm2 -0.010 CV 1
ASSI { 3251}
( segid "SH2 " and resid 46 and name HD1%)
( segid "SH2 " and resid 32 and name HD% )
2.700 1.200 1.200 peak 3251 weight 0.10000E+01 volume 0.42968E-02 ppm1 0.570 ppm2 6.740 CV 1
ASSI { 2301}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 32 and name HA ))
3.900 1.800 1.800 peak 2301 weight 0.10000E+01 volume 0.11121E-02 ppm1 0.570 ppm2 5.970 CV 1
ASSI { 778}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 32 and name HB2 ))
2.500 1.300 1.300 peak 778 weight 0.10000E+01 volume 0.30835E-02 ppm1 0.570 ppm2 2.660 CV 1
ASSI { 2980}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 101 and name HN ))
4.500 1.900 1.500 peak 2980 weight 0.10000E+01 volume 0.90735E-03 ppm1 0.580 ppm2 7.460 CV 1
ASSI { 3252}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 98 and name HN ))
4.100 1.800 1.800 peak 3252 weight 0.10000E+01 volume 0.11171E-02 ppm1 0.570 ppm2 7.840 CV 1
ASSI { 1096}
(( segid "SH2 " and resid 10 and name HZ3 ))
( segid "SH2 " and resid 94 and name HD2%)
3.200 1.700 1.700 peak 1096 weight 0.10000E+01 volume 0.15291E-02 ppm1 6.750 ppm2 0.360 CV 1
ASSI { 2302}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 102 and name HA ))
4.300 2.000 1.700 peak 2302 weight 0.10000E+01 volume 0.82142E-03 ppm1 0.590 ppm2 4.560 CV 1
ASSI { 2305}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 46 and name HB1 ))
1.800 0.800 0.800 peak 2305 weight 0.10000E+01 volume 0.15721E-01 ppm1 0.580 ppm2 1.360 CV 1
ASSI { 1092}
(( segid "SH2 " and resid 10 and name HZ3 ))
(( segid "SH2 " and resid 11 and name HB1 ))
4.600 2.200 1.400 peak 1092 weight 0.10000E+01 volume 0.59646E-03 ppm1 6.750 ppm2 2.450 CV 1
ASSI { 2985}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 46 and name HG ))
2.400 1.300 1.300 peak 2985 weight 0.10000E+01 volume 0.35132E-02 ppm1 0.580 ppm2 1.900 CV 1
ASSI { 2304}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 95 and name HD1 ))
4.100 1.700 1.700 peak 2304 weight 0.10000E+01 volume 0.13977E-02 ppm1 0.570 ppm2 3.790 CV 1
OR { 2304}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 95 and name HD2 ))
ASSI { 2513}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 18 and name HA ))
3.300 1.300 1.300 peak 2513 weight 0.10000E+01 volume 0.34879E-02 ppm1 1.230 ppm2 3.940 CV 1
ASSI { 287}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 21 and name HA ))
2.300 1.000 1.000 peak 287 weight 0.10000E+01 volume 0.71783E-02 ppm1 1.230 ppm2 3.490 CV 1
ASSI { 2987}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 54 and name HB ))
2.900 1.100 1.100 peak 2987 weight 0.10000E+01 volume 0.53583E-02 ppm1 1.230 ppm2 1.920 CV 1
ASSI { 776}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 94 and name HN ))
3.500 1.400 1.400 peak 776 weight 0.10000E+01 volume 0.23936E-02 ppm1 0.580 ppm2 -0.660 CV 1
ASSI { 2990}
( segid "SH2 " and resid 21 and name HG1%)
( segid "SH2 " and resid 54 and name HG2%)
3.500 1.200 1.200 peak 2990 weight 0.10000E+01 volume 0.44231E-02 ppm1 1.220 ppm2 0.370 CV 1
ASSI { 3272}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 93 and name HA ))
3.300 1.600 1.600 peak 3272 weight 0.10000E+01 volume 0.15948E-02 ppm1 0.890 ppm2 4.550 CV 1
ASSI { 1250}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 84 and name HN ))
3.300 1.600 1.600 peak 1250 weight 0.10000E+01 volume 0.17718E-02 ppm1 0.890 ppm2 8.700 CV 1
ASSI { 3273}
( segid "SH2 " and resid 84 and name HD2%)
( segid "SH2 " and resid 44 and name HD% )
2.600 1.300 1.300 peak 3273 weight 0.10000E+01 volume 0.32857E-02 ppm1 0.890 ppm2 7.040 CV 1
ASSI { 2612}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 84 and name HA ))
2.200 1.100 1.100 peak 2612 weight 0.10000E+01 volume 0.67990E-02 ppm1 0.890 ppm2 5.180 CV 1
ASSI { 1262}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 84 and name HG ))
2.300 1.100 1.100 peak 1262 weight 0.10000E+01 volume 0.52825E-02 ppm1 0.890 ppm2 1.190 CV 1
ASSI { 2640}
( segid "SH2 " and resid 84 and name HD2%)
( segid "SH2 " and resid 44 and name HE% )
2.900 2.900 3.100 peak 2640 weight 0.10000E+01 volume 0.26539E-02 ppm1 0.890 ppm2 6.820 CV 1
ASSI { 1259}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 84 and name HB1 ))
2.500 1.000 1.000 peak 1259 weight 0.10000E+01 volume 0.96299E-02 ppm1 0.890 ppm2 1.570 CV 1
OR { 1259}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 84 and name HB2 ))
ASSI { 398}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 49 and name HB1 ))
2.800 1.900 1.900 peak 398 weight 0.10000E+01 volume 0.94278E-03 ppm1 1.080 ppm2 4.360 CV 1
ASSI { 390}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 31 and name HN ))
2.200 1.100 1.100 peak 390 weight 0.10000E+01 volume 0.60156E-02 ppm1 1.070 ppm2 8.130 CV 1
ASSI { 389}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 28 and name HN ))
3.200 1.400 1.400 peak 389 weight 0.10000E+01 volume 0.26033E-02 ppm1 1.070 ppm2 8.870 CV 1
ASSI { 393}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 31 and name HA ))
2.700 1.100 1.100 peak 393 weight 0.10000E+01 volume 0.61922E-02 ppm1 1.070 ppm2 5.300 CV 1
ASSI { 2314}
(( segid "SH2 " and resid 109 and name HB ))
( segid "SH2 " and resid 109 and name HG2%)
2.500 1.100 1.100 peak 2314 weight 0.10000E+01 volume 0.53078E-02 ppm1 4.030 ppm2 1.220 CV 1
ASSI { 805}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 98 and name HA ))
4.100 1.600 1.600 peak 805 weight 0.10000E+01 volume 0.15670E-02 ppm1 -0.440 ppm2 3.360 CV 1
ASSI { 803}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 10 and name HZ3 ))
3.000 1.600 1.600 peak 803 weight 0.10000E+01 volume 0.18754E-02 ppm1 -0.440 ppm2 6.740 CV 1
ASSI { 2316}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 10 and name HB1 ))
3.100 1.300 1.300 peak 2316 weight 0.10000E+01 volume 0.37660E-02 ppm1 -0.440 ppm2 3.790 CV 1
ASSI { 2565}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 10 and name HB2 ))
3.100 2.000 2.000 peak 2565 weight 0.10000E+01 volume 0.77596E-03 ppm1 -0.450 ppm2 3.010 CV 1
ASSI { 2996}
( segid "SH2 " and resid 34 and name HG1%)
( segid "SH2 " and resid 98 and name HD1%)
2.900 1.500 1.500 peak 2996 weight 0.10000E+01 volume 0.22571E-02 ppm1 1.200 ppm2 -0.450 CV 1
ASSI { 2995}
( segid "SH2 " and resid 34 and name HG1%)
( segid "SH2 " and resid 98 and name HD2%)
2.500 1.100 1.100 peak 2995 weight 0.10000E+01 volume 0.67735E-02 ppm1 1.200 ppm2 -0.010 CV 1
ASSI { 480}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 10 and name HE3 ))
2.300 1.300 1.300 peak 480 weight 0.10000E+01 volume 0.35385E-02 ppm1 1.200 ppm2 7.480 CV 1
ASSI { 813}
( segid "SH2 " and resid 98 and name HD1%)
( segid "SH2 " and resid 98 and name HD2%)
2.100 0.900 0.900 peak 813 weight 0.10000E+01 volume 0.97307E-02 ppm1 -0.440 ppm2 0.000 CV 1
ASSI { 801}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 10 and name HH2 ))
3.300 1.500 1.500 peak 801 weight 0.10000E+01 volume 0.19563E-02 ppm1 -0.440 ppm2 7.070 CV 1
ASSI { 1016}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 10 and name HZ2 ))
3.300 1.800 1.800 peak 1016 weight 0.10000E+01 volume 0.12840E-02 ppm1 -0.440 ppm2 7.420 CV 1
ASSI { 810}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 98 and name HB1 ))
2.800 1.300 1.300 peak 810 weight 0.10000E+01 volume 0.36396E-02 ppm1 -0.440 ppm2 1.450 CV 1
ASSI { 812}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 98 and name HB2 ))
2.300 1.200 1.200 peak 812 weight 0.10000E+01 volume 0.41451E-02 ppm1 -0.440 ppm2 0.700 CV 1
ASSI { 479}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 10 and name HZ3 ))
2.400 1.200 1.200 peak 479 weight 0.10000E+01 volume 0.39682E-02 ppm1 1.200 ppm2 6.750 CV 1
ASSI { 481}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 34 and name HA ))
2.900 1.200 1.200 peak 481 weight 0.10000E+01 volume 0.42715E-02 ppm1 1.200 ppm2 5.810 CV 1
ASSI { 485}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 34 and name HB ))
2.100 1.100 1.100 peak 485 weight 0.10000E+01 volume 0.64452E-02 ppm1 1.200 ppm2 2.700 CV 1
ASSI { 1361}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 46 and name HA ))
3.700 1.500 1.500 peak 1361 weight 0.10000E+01 volume 0.23228E-02 ppm1 1.200 ppm2 5.150 CV 1
ASSI { 2993}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 102 and name HD1 ))
4.600 1.900 1.400 peak 2993 weight 0.10000E+01 volume 0.97307E-03 ppm1 -0.430 ppm2 1.880 CV 1
OR { 2993}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 102 and name HD2 ))
ASSI { 3238}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 95 and name HB1 ))
4.300 2.100 1.700 peak 3238 weight 0.10000E+01 volume 0.69003E-03 ppm1 -0.450 ppm2 2.340 CV 1
ASSI { 488}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 34 and name HN ))
2.300 1.300 1.300 peak 488 weight 0.10000E+01 volume 0.35385E-02 ppm1 1.200 ppm2 -0.660 CV 1
ASSI { 1605}
(( segid "SH2 " and resid 87 and name HA2 ))
(( segid "SH2 " and resid 86 and name HA ))
4.700 2.000 1.300 peak 1605 weight 0.10000E+01 volume 0.88210E-03 ppm1 3.760 ppm2 4.840 CV 1
ASSI { 3236}
(( segid "SH2 " and resid 13 and name HA2 ))
( segid "SH2 " and resid 11 and name HD% )
3.700 2.100 2.100 peak 3236 weight 0.10000E+01 volume 0.74811E-03 ppm1 3.340 ppm2 7.030 CV 1
ASSI { 3233}
(( segid "SH2 " and resid 13 and name HA2 ))
(( segid "SH2 " and resid 13 and name HN ))
3.000 1.400 1.400 peak 3233 weight 0.10000E+01 volume 0.28813E-02 ppm1 3.320 ppm2 5.280 CV 1
ASSI { 2339}
( segid "SH2 " and resid 23 and name HD2%)
( segid "SH2 " and resid 23 and name HD1%)
2.100 0.800 0.800 peak 2339 weight 0.10000E+01 volume 0.16227E-01 ppm1 0.670 ppm2 0.000 CV 1
ASSI { 3009}
( segid "SH2 " and resid 23 and name HD2%)
(( segid "SH2 " and resid 12 and name HH2 ))
2.800 1.300 1.300 peak 3009 weight 0.10000E+01 volume 0.38671E-02 ppm1 0.670 ppm2 7.100 CV 1
ASSI { 2327}
( segid "SH2 " and resid 23 and name HD2%)
(( segid "SH2 " and resid 23 and name HN ))
3.900 1.500 1.500 peak 2327 weight 0.10000E+01 volume 0.23405E-02 ppm1 0.670 ppm2 7.340 CV 1
ASSI { 95}
( segid "SH2 " and resid 11 and name HE% )
(( segid "SH2 " and resid 11 and name HB2 ))
3.800 1.600 1.600 peak 95 weight 0.10000E+01 volume 0.18223E-02 ppm1 6.960 ppm2 2.460 CV 1
ASSI { 92}
( segid "SH2 " and resid 11 and name HE% )
(( segid "SH2 " and resid 13 and name HA1 ))
3.800 2.100 2.100 peak 92 weight 0.10000E+01 volume 0.76328E-03 ppm1 6.960 ppm2 3.600 CV 1
ASSI { 93}
( segid "SH2 " and resid 11 and name HE% )
(( segid "SH2 " and resid 13 and name HA2 ))
3.200 1.900 1.900 peak 93 weight 0.10000E+01 volume 0.10211E-02 ppm1 6.950 ppm2 3.330 CV 1
ASSI { 2325}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 115 and name HN ))
4.200 1.600 1.600 peak 2325 weight 0.10000E+01 volume 0.16024E-02 ppm1 0.530 ppm2 8.240 CV 1
ASSI { 90}
( segid "SH2 " and resid 11 and name HE% )
(( segid "SH2 " and resid 11 and name HA ))
4.500 1.800 1.500 peak 90 weight 0.10000E+01 volume 0.10969E-02 ppm1 6.960 ppm2 5.670 CV 1
ASSI { 2330}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 32 and name HA ))
3.100 1.400 1.400 peak 2330 weight 0.10000E+01 volume 0.25047E-02 ppm1 0.530 ppm2 5.980 CV 1
ASSI { 2338}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 115 and name HB ))
3.100 3.100 2.900 peak 2338 weight 0.10000E+01 volume 0.72032E-02 ppm1 0.530 ppm2 1.660 CV 1
ASSI { 3269}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 27 and name HG1 ))
3.700 1.300 1.300 peak 3269 weight 0.10000E+01 volume 0.35385E-02 ppm1 0.530 ppm2 2.340 CV 1
OR { 3269}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 27 and name HG2 ))
ASSI { 2335}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 115 and name HA ))
4.200 4.200 1.800 peak 2335 weight 0.10000E+01 volume 0.20372E-02 ppm1 0.530 ppm2 3.930 CV 1
ASSI { 3266}
( segid "SH2 " and resid 24 and name HD1%)
( segid "SH2 " and resid 31 and name HG1%)
3.300 1.100 1.100 peak 3266 weight 0.10000E+01 volume 0.53330E-02 ppm1 0.530 ppm2 1.060 CV 1
ASSI { 2324}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 49 and name HN ))
4.200 1.600 1.600 peak 2324 weight 0.10000E+01 volume 0.16959E-02 ppm1 0.540 ppm2 8.630 CV 1
ASSI { 1402}
(( segid "SH2 " and resid 13 and name HA1 ))
(( segid "SH2 " and resid 13 and name HN ))
2.700 1.400 1.400 peak 1402 weight 0.10000E+01 volume 0.25275E-02 ppm1 3.600 ppm2 5.280 CV 1
ASSI { 98}
( segid "SH2 " and resid 11 and name HE% )
(( segid "SH2 " and resid 12 and name HN ))
4.200 2.000 1.800 peak 98 weight 0.10000E+01 volume 0.90486E-03 ppm1 6.950 ppm2 -0.670 CV 1
ASSI { 3264}
( segid "SH2 " and resid 24 and name HD1%)
(( segid "SH2 " and resid 33 and name HN ))
3.500 1.600 1.600 peak 3264 weight 0.10000E+01 volume 0.15620E-02 ppm1 0.540 ppm2 -0.670 CV 1
ASSI { 3213}
(( segid "SH2 " and resid 108 and name HB ))
( segid "SH2 " and resid 109 and name HG2%)
3.500 1.800 1.800 peak 3213 weight 0.10000E+01 volume 0.10843E-02 ppm1 4.140 ppm2 1.250 CV 1
ASSI { 609}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "SH2 " and resid 56 and name HB1 ))
3.700 1.500 1.500 peak 609 weight 0.10000E+01 volume 0.22874E-02 ppm1 1.190 ppm2 3.040 CV 1
ASSI { 604}
( segid "SH2 " and resid 34 and name HG1%)
( segid "SH2 " and resid 11 and name HD% )
2.500 1.100 1.100 peak 604 weight 0.10000E+01 volume 0.60660E-02 ppm1 1.180 ppm2 7.080 CV 1
ASSI { 3020}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "SH2 " and resid 45 and name HB ))
2.300 1.200 1.200 peak 3020 weight 0.10000E+01 volume 0.48275E-02 ppm1 1.180 ppm2 1.960 CV 1
ASSI { 2350}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "SH2 " and resid 56 and name HA ))
3.000 1.400 1.400 peak 2350 weight 0.10000E+01 volume 0.28055E-02 ppm1 1.180 ppm2 4.920 CV 1
ASSI { 2351}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "SH2 " and resid 45 and name HA ))
2.400 1.200 1.200 peak 2351 weight 0.10000E+01 volume 0.46001E-02 ppm1 1.180 ppm2 4.760 CV 1
ASSI { 2779}
( segid "SH2 " and resid 105 and name HE% )
(( segid "SH2 " and resid 104 and name HA ))
4.100 2.100 1.900 peak 2779 weight 0.10000E+01 volume 0.75321E-03 ppm1 6.780 ppm2 4.370 CV 1
ASSI { 2777}
( segid "SH2 " and resid 105 and name HE% )
(( segid "SH2 " and resid 105 and name HN ))
4.500 1.900 1.500 peak 2777 weight 0.10000E+01 volume 0.93265E-03 ppm1 6.770 ppm2 8.110 CV 1
ASSI { 2345}
( segid "SH2 " and resid 111 and name HD1%)
( segid "SH2 " and resid 32 and name HE% )
4.200 1.600 1.600 peak 2345 weight 0.10000E+01 volume 0.18274E-02 ppm1 0.280 ppm2 7.610 CV 1
ASSI { 2354}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 32 and name HB2 ))
3.700 1.300 1.300 peak 2354 weight 0.10000E+01 volume 0.34121E-02 ppm1 0.270 ppm2 2.660 CV 1
ASSI { 2659}
(( segid "SH2 " and resid 110 and name HB ))
(( segid "SH2 " and resid 111 and name HN ))
2.400 1.200 1.200 peak 2659 weight 0.10000E+01 volume 0.44231E-02 ppm1 4.130 ppm2 8.940 CV 1
ASSI { 3023}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 106 and name HB2 ))
2.400 2.400 3.600 peak 3023 weight 0.10000E+01 volume 0.61418E-02 ppm1 0.280 ppm2 1.270 CV 1
ASSI { 2353}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 32 and name HB1 ))
3.400 1.400 1.400 peak 2353 weight 0.10000E+01 volume 0.26286E-02 ppm1 0.280 ppm2 3.260 CV 1
ASSI { 2342}
( segid "SH2 " and resid 115 and name HG1%)
(( segid "SH2 " and resid 115 and name HN ))
2.100 1.000 1.000 peak 2342 weight 0.10000E+01 volume 0.77596E-02 ppm1 0.930 ppm2 8.260 CV 1
ASSI { 2343}
( segid "SH2 " and resid 111 and name HD1%)
( segid "SH2 " and resid 32 and name HD% )
4.100 1.600 1.600 peak 2343 weight 0.10000E+01 volume 0.17111E-02 ppm1 0.270 ppm2 6.720 CV 1
ASSI { 2347}
( segid "SH2 " and resid 115 and name HG1%)
(( segid "SH2 " and resid 12 and name HZ2 ))
4.300 1.800 1.700 peak 2347 weight 0.10000E+01 volume 0.11576E-02 ppm1 0.940 ppm2 7.150 CV 1
ASSI { 608}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "SH2 " and resid 46 and name HN ))
2.500 1.300 1.300 peak 608 weight 0.10000E+01 volume 0.35385E-02 ppm1 1.180 ppm2 -0.830 CV 1
ASSI { 1788}
( segid "SH2 " and resid 115 and name HG1%)
(( segid "SH2 " and resid 115 and name HA ))
2.200 0.900 0.900 peak 1788 weight 0.10000E+01 volume 0.10211E-01 ppm1 0.930 ppm2 3.900 CV 1
ASSI { 1777}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 113 and name HN ))
4.800 2.000 1.200 peak 1777 weight 0.10000E+01 volume 0.84672E-03 ppm1 0.270 ppm2 7.190 CV 1
ASSI { 3032}
( segid "SH2 " and resid 115 and name HG1%)
(( segid "SH2 " and resid 24 and name HA ))
3.100 1.600 1.600 peak 3032 weight 0.10000E+01 volume 0.19108E-02 ppm1 0.930 ppm2 4.170 CV 1
ASSI { 967}
( segid "SH2 " and resid 44 and name HE% )
(( segid "SH2 " and resid 44 and name HB1 ))
4.400 2.000 1.600 peak 967 weight 0.10000E+01 volume 0.79872E-03 ppm1 6.810 ppm2 3.190 CV 1
ASSI { 2704}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 107 and name HB1 ))
3.700 2.200 2.200 peak 2704 weight 0.10000E+01 volume 0.59901E-03 ppm1 6.370 ppm2 2.920 CV 1
ASSI { 2708}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 48 and name HB ))
3.800 1.900 1.900 peak 2708 weight 0.10000E+01 volume 0.92506E-03 ppm1 6.380 ppm2 1.830 CV 1
ASSI { 2709}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 106 and name HB1 ))
3.400 2.100 2.100 peak 2709 weight 0.10000E+01 volume 0.75066E-03 ppm1 6.370 ppm2 1.670 CV 1
ASSI { 592}
( segid "SH2 " and resid 105 and name HE% )
(( segid "SH2 " and resid 105 and name HB1 ))
4.700 2.000 1.300 peak 592 weight 0.10000E+01 volume 0.82397E-03 ppm1 6.760 ppm2 2.740 CV 1
ASSI { 1587}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 10 and name HB1 ))
4.000 1.900 1.900 peak 1587 weight 0.10000E+01 volume 0.97307E-03 ppm1 -0.010 ppm2 3.790 CV 1
ASSI { 2359}
( segid "SH2 " and resid 98 and name HD2%)
( segid "SH2 " and resid 32 and name HE% )
3.300 2.100 2.100 peak 2359 weight 0.10000E+01 volume 0.66977E-03 ppm1 0.000 ppm2 7.620 CV 1
ASSI { 495}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 46 and name HA ))
3.500 1.800 1.800 peak 495 weight 0.10000E+01 volume 0.10767E-02 ppm1 1.350 ppm2 5.150 CV 1
ASSI { 1784}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 98 and name HB2 ))
3.000 1.100 1.100 peak 1784 weight 0.10000E+01 volume 0.54089E-02 ppm1 0.000 ppm2 0.690 CV 1
ASSI { 1782}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 98 and name HG ))
1.800 0.900 0.900 peak 1782 weight 0.10000E+01 volume 0.12966E-01 ppm1 -0.010 ppm2 1.210 CV 1
ASSI { 931}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 98 and name HA ))
2.200 1.000 1.000 peak 931 weight 0.10000E+01 volume 0.75066E-02 ppm1 -0.010 ppm2 3.360 CV 1
ASSI { 1783}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 98 and name HB1 ))
2.300 1.300 1.300 peak 1783 weight 0.10000E+01 volume 0.31341E-02 ppm1 0.000 ppm2 1.440 CV 1
ASSI { 1151}
( segid "SH2 " and resid 98 and name HD2%)
( segid "SH2 " and resid 32 and name HD% )
2.600 1.600 1.600 peak 1151 weight 0.10000E+01 volume 0.19083E-02 ppm1 0.000 ppm2 6.730 CV 1
ASSI { 1150}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 98 and name HN ))
3.500 1.500 1.500 peak 1150 weight 0.10000E+01 volume 0.23658E-02 ppm1 0.000 ppm2 7.840 CV 1
ASSI { 1786}
( segid "SH2 " and resid 98 and name HD2%)
( segid "SH2 " and resid 46 and name HD2%)
2.400 1.200 1.200 peak 1786 weight 0.10000E+01 volume 0.39682E-02 ppm1 -0.010 ppm2 0.380 CV 1
ASSI { 591}
( segid "SH2 " and resid 105 and name HE% )
(( segid "SH2 " and resid 105 and name HB2 ))
4.500 1.900 1.500 peak 591 weight 0.10000E+01 volume 0.10009E-02 ppm1 6.770 ppm2 2.500 CV 1
ASSI { 2703}
( segid "SH2 " and resid 57 and name HE% )
(( segid "PEP " and resid 224 and name HD2 ))
4.100 1.600 1.600 peak 2703 weight 0.10000E+01 volume 0.18653E-02 ppm1 6.370 ppm2 3.650 CV 1
ASSI { 2701}
( segid "SH2 " and resid 57 and name HE% )
(( segid "PEP " and resid 224 and name HA ))
2.800 1.400 1.400 peak 2701 weight 0.10000E+01 volume 0.26033E-02 ppm1 6.380 ppm2 4.410 CV 1
ASSI { 586}
( segid "SH2 " and resid 105 and name HE% )
(( segid "SH2 " and resid 109 and name HA ))
3.100 1.600 1.600 peak 586 weight 0.10000E+01 volume 0.18729E-02 ppm1 6.770 ppm2 5.150 CV 1
ASSI { 3245}
( segid "SH2 " and resid 54 and name HG1%)
(( segid "SH2 " and resid 24 and name HN ))
3.700 1.500 1.500 peak 3245 weight 0.10000E+01 volume 0.21307E-02 ppm1 0.940 ppm2 7.390 CV 1
ASSI { 2710}
( segid "SH2 " and resid 57 and name HE% )
( segid "PEP " and resid 222 and name HB% )
3.300 1.800 1.800 peak 2710 weight 0.10000E+01 volume 0.12233E-02 ppm1 6.370 ppm2 1.320 CV 1
ASSI { 2714}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 107 and name HN ))
4.000 2.100 2.000 peak 2714 weight 0.10000E+01 volume 0.74811E-03 ppm1 6.370 ppm2 8.470 CV 1
ASSI { 2711}
( segid "SH2 " and resid 57 and name HE% )
( segid "SH2 " and resid 48 and name HG2%)
2.600 1.200 1.200 peak 2711 weight 0.10000E+01 volume 0.47012E-02 ppm1 6.380 ppm2 0.900 CV 1
ASSI { 595}
( segid "SH2 " and resid 105 and name HE% )
( segid "SH2 " and resid 110 and name HG2%)
3.000 1.400 1.400 peak 595 weight 0.10000E+01 volume 0.24289E-02 ppm1 6.770 ppm2 0.120 CV 1
ASSI { 1781}
( segid "SH2 " and resid 94 and name HD1%)
(( segid "SH2 " and resid 94 and name HB1 ))
2.400 1.000 1.000 peak 1781 weight 0.10000E+01 volume 0.69507E-02 ppm1 0.370 ppm2 1.920 CV 1
ASSI { 491}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 10 and name HZ3 ))
3.600 1.400 1.400 peak 491 weight 0.10000E+01 volume 0.24011E-02 ppm1 1.340 ppm2 6.760 CV 1
ASSI { 1590}
( segid "SH2 " and resid 94 and name HD2%)
(( segid "SH2 " and resid 33 and name HA ))
3.300 3.300 2.700 peak 1590 weight 0.10000E+01 volume 0.47517E-02 ppm1 0.370 ppm2 4.770 CV 1
ASSI { 935}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 10 and name HE3 ))
3.700 2.100 2.100 peak 935 weight 0.10000E+01 volume 0.66728E-03 ppm1 -0.010 ppm2 7.470 CV 1
ASSI { 1779}
( segid "SH2 " and resid 94 and name HD2%)
(( segid "SH2 " and resid 44 and name HN ))
2.500 2.500 3.500 peak 1779 weight 0.10000E+01 volume 0.19386E-02 ppm1 0.370 ppm2 8.770 CV 1
ASSI { 1014}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 11 and name HB2 ))
4.300 1.800 1.700 peak 1014 weight 0.10000E+01 volume 0.11424E-02 ppm1 1.330 ppm2 2.470 CV 1
ASSI { 1780}
( segid "SH2 " and resid 54 and name HG1%)
(( segid "SH2 " and resid 54 and name HN ))
2.400 1.300 1.300 peak 1780 weight 0.10000E+01 volume 0.32857E-02 ppm1 0.940 ppm2 7.920 CV 1
ASSI { 1288}
( segid "SH2 " and resid 106 and name HD2%)
( segid "SH2 " and resid 57 and name HE% )
3.300 1.900 1.900 peak 1288 weight 0.10000E+01 volume 0.10565E-02 ppm1 -0.660 ppm2 6.370 CV 1
ASSI { 2705}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 107 and name HB2 ))
3.800 2.200 2.200 peak 2705 weight 0.10000E+01 volume 0.63694E-03 ppm1 6.370 ppm2 2.820 CV 1
ASSI { 493}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 11 and name HA ))
3.900 1.600 1.600 peak 493 weight 0.10000E+01 volume 0.15948E-02 ppm1 1.340 ppm2 5.670 CV 1
ASSI { 492}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 34 and name HA ))
2.400 1.200 1.200 peak 492 weight 0.10000E+01 volume 0.46253E-02 ppm1 1.340 ppm2 5.810 CV 1
ASSI { 882}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "SH2 " and resid 106 and name HN ))
4.900 1.900 1.100 peak 882 weight 0.10000E+01 volume 0.10084E-02 ppm1 -0.670 ppm2 7.880 CV 1
ASSI { 2360}
( segid "SH2 " and resid 34 and name HG2%)
( segid "SH2 " and resid 44 and name HD% )
2.100 1.100 1.100 peak 2360 weight 0.10000E+01 volume 0.61922E-02 ppm1 1.340 ppm2 7.040 CV 1
ASSI { 881}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "SH2 " and resid 107 and name HN ))
4.700 1.900 1.300 peak 881 weight 0.10000E+01 volume 0.90989E-03 ppm1 -0.670 ppm2 8.460 CV 1
ASSI { 3031}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "SH2 " and resid 101 and name HB1 ))
3.400 1.900 1.900 peak 3031 weight 0.10000E+01 volume 0.10413E-02 ppm1 -0.660 ppm2 3.310 CV 1
ASSI { 3250}
( segid "SH2 " and resid 54 and name HG1%)
(( segid "SH2 " and resid 54 and name HB ))
2.100 0.900 0.900 peak 3250 weight 0.10000E+01 volume 0.98320E-02 ppm1 0.940 ppm2 1.920 CV 1
ASSI { 497}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 34 and name HB ))
2.100 1.100 1.100 peak 497 weight 0.10000E+01 volume 0.65969E-02 ppm1 1.340 ppm2 2.690 CV 1
ASSI { 1791}
( segid "SH2 " and resid 54 and name HG1%)
(( segid "SH2 " and resid 54 and name HA ))
2.800 1.100 1.100 peak 1791 weight 0.10000E+01 volume 0.57625E-02 ppm1 0.940 ppm2 4.780 CV 1
ASSI { 494}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 44 and name HA ))
3.700 1.700 1.700 peak 494 weight 0.10000E+01 volume 0.15064E-02 ppm1 1.340 ppm2 5.360 CV 1
ASSI { 2356}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 44 and name HB1 ))
2.400 1.400 1.400 peak 2356 weight 0.10000E+01 volume 0.26286E-02 ppm1 1.340 ppm2 3.170 CV 1
ASSI { 2553}
(( segid "SH2 " and resid 30 and name HA1 ))
(( segid "SH2 " and resid 30 and name HN ))
2.500 1.200 1.200 peak 2553 weight 0.10000E+01 volume 0.48781E-02 ppm1 4.800 ppm2 -0.590 CV 1
ASSI { 2644}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "PEP " and resid 224 and name HG1 ))
2.800 1.400 1.400 peak 2644 weight 0.10000E+01 volume 0.25275E-02 ppm1 -0.660 ppm2 2.050 CV 1
OR { 2644}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "PEP " and resid 224 and name HG2 ))
ASSI { 898}
( segid "SH2 " and resid 106 and name HD2%)
( segid "SH2 " and resid 101 and name HD% )
2.800 1.500 1.500 peak 898 weight 0.10000E+01 volume 0.19361E-02 ppm1 -0.660 ppm2 7.030 CV 1
ASSI { 894}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "SH2 " and resid 106 and name HB2 ))
2.600 1.100 1.100 peak 894 weight 0.10000E+01 volume 0.63439E-02 ppm1 -0.660 ppm2 1.250 CV 1
ASSI { 888}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "SH2 " and resid 106 and name HA ))
3.400 1.100 1.100 peak 888 weight 0.10000E+01 volume 0.52067E-02 ppm1 -0.660 ppm2 4.100 CV 1
ASSI { 2645}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "PEP " and resid 224 and name HB1 ))
3.000 1.400 1.400 peak 2645 weight 0.10000E+01 volume 0.28561E-02 ppm1 -0.660 ppm2 2.300 CV 1
OR { 2645}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "PEP " and resid 224 and name HB2 ))
ASSI { 893}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "SH2 " and resid 106 and name HB1 ))
2.500 1.500 1.500 peak 893 weight 0.10000E+01 volume 0.22217E-02 ppm1 -0.660 ppm2 1.670 CV 1
ASSI { 489}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 10 and name HE3 ))
4.200 1.500 1.500 peak 489 weight 0.10000E+01 volume 0.19158E-02 ppm1 1.340 ppm2 7.470 CV 1
ASSI { 355}
(( segid "SH2 " and resid 30 and name HA2 ))
(( segid "SH2 " and resid 30 and name HN ))
2.600 1.600 1.600 peak 355 weight 0.10000E+01 volume 0.17970E-02 ppm1 3.580 ppm2 -0.590 CV 1
ASSI { 1787}
( segid "SH2 " and resid 54 and name HG1%)
(( segid "SH2 " and resid 21 and name HA ))
2.300 1.100 1.100 peak 1787 weight 0.10000E+01 volume 0.59901E-02 ppm1 0.940 ppm2 3.490 CV 1
ASSI { 2688}
(( segid "SH2 " and resid 30 and name HA2 ))
(( segid "SH2 " and resid 112 and name HN ))
2.900 2.000 2.000 peak 2688 weight 0.10000E+01 volume 0.79617E-03 ppm1 3.600 ppm2 -0.910 CV 1
ASSI { 499}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 35 and name HN ))
2.300 1.300 1.300 peak 499 weight 0.10000E+01 volume 0.35385E-02 ppm1 1.340 ppm2 -0.410 CV 1
ASSI { 498}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 34 and name HN ))
3.700 1.500 1.500 peak 498 weight 0.10000E+01 volume 0.20422E-02 ppm1 1.340 ppm2 -0.660 CV 1
ASSI { 2552}
(( segid "SH2 " and resid 30 and name HA1 ))
(( segid "SH2 " and resid 112 and name HB ))
2.500 1.500 1.500 peak 2552 weight 0.10000E+01 volume 0.21509E-02 ppm1 4.790 ppm2 1.590 CV 1
ASSI { 500}
( segid "SH2 " and resid 34 and name HG2%)
(( segid "SH2 " and resid 45 and name HN ))
2.900 1.700 1.700 peak 500 weight 0.10000E+01 volume 0.14381E-02 ppm1 1.340 ppm2 -0.220 CV 1
ASSI { 3360}
(( segid "SH2 " and resid 30 and name HA2 ))
( segid "SH2 " and resid 111 and name HD1%)
4.200 2.200 1.800 peak 3360 weight 0.10000E+01 volume 0.64452E-03 ppm1 3.580 ppm2 0.270 CV 1
ASSI { 359}
(( segid "SH2 " and resid 30 and name HA2 ))
(( segid "SH2 " and resid 112 and name HB ))
3.800 1.800 1.800 peak 359 weight 0.10000E+01 volume 0.12713E-02 ppm1 3.570 ppm2 1.590 CV 1
ASSI { 357}
(( segid "SH2 " and resid 30 and name HA2 ))
( segid "SH2 " and resid 112 and name HG2%)
4.500 1.500 1.500 peak 357 weight 0.10000E+01 volume 0.21938E-02 ppm1 3.580 ppm2 0.890 CV 1
ASSI { 358}
(( segid "SH2 " and resid 30 and name HA2 ))
(( segid "SH2 " and resid 111 and name HB2 ))
3.700 3.700 2.300 peak 358 weight 0.10000E+01 volume 0.21180E-02 ppm1 3.580 ppm2 1.230 CV 1
ASSI { 3223}
( segid "SH2 " and resid 39 and name HG2%)
(( segid "SH2 " and resid 39 and name HN ))
3.000 1.600 1.600 peak 3223 weight 0.10000E+01 volume 0.17010E-02 ppm1 1.270 ppm2 7.470 CV 1
ASSI { 1636}
( segid "SH2 " and resid 39 and name HG2%)
(( segid "SH2 " and resid 38 and name HB2 ))
3.500 1.700 1.700 peak 1636 weight 0.10000E+01 volume 0.14837E-02 ppm1 1.270 ppm2 4.000 CV 1
ASSI { 1635}
( segid "SH2 " and resid 39 and name HG2%)
(( segid "SH2 " and resid 39 and name HA ))
2.600 1.000 1.000 peak 1635 weight 0.10000E+01 volume 0.89223E-02 ppm1 1.270 ppm2 4.370 CV 1
ASSI { 2370}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 48 and name HA ))
2.500 1.300 1.300 peak 2370 weight 0.10000E+01 volume 0.34374E-02 ppm1 0.880 ppm2 4.990 CV 1
ASSI { 2367}
( segid "SH2 " and resid 48 and name HG1%)
( segid "SH2 " and resid 57 and name HD% )
3.300 3.300 2.700 peak 2367 weight 0.10000E+01 volume 0.20271E-02 ppm1 0.880 ppm2 6.720 CV 1
ASSI { 3222}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 32 and name HB2 ))
3.000 1.400 1.400 peak 3222 weight 0.10000E+01 volume 0.28813E-02 ppm1 0.880 ppm2 2.660 CV 1
ASSI { 2366}
( segid "SH2 " and resid 48 and name HG1%)
( segid "SH2 " and resid 57 and name HE% )
3.500 3.500 2.500 peak 2366 weight 0.10000E+01 volume 0.14053E-02 ppm1 0.880 ppm2 6.390 CV 1
ASSI { 2369}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 47 and name HA ))
3.900 1.900 1.900 peak 2369 weight 0.10000E+01 volume 0.99333E-03 ppm1 0.890 ppm2 5.770 CV 1
ASSI { 2376}
(( segid "SH2 " and resid 32 and name HB1 ))
(( segid "SH2 " and resid 32 and name HB2 ))
1.900 1.300 1.300 peak 2376 weight 0.10000E+01 volume 0.37660E-02 ppm1 3.240 ppm2 2.660 CV 1
ASSI { 958}
(( segid "SH2 " and resid 32 and name HB2 ))
( segid "SH2 " and resid 32 and name HD% )
3.000 1.900 1.900 peak 958 weight 0.10000E+01 volume 0.10641E-02 ppm1 2.670 ppm2 6.760 CV 1
ASSI { 431}
(( segid "SH2 " and resid 32 and name HB2 ))
( segid "SH2 " and resid 32 and name HE% )
4.000 1.800 1.800 peak 431 weight 0.10000E+01 volume 0.12713E-02 ppm1 2.660 ppm2 7.620 CV 1
ASSI { 434}
(( segid "SH2 " and resid 32 and name HB2 ))
(( segid "SH2 " and resid 48 and name HA ))
3.600 1.900 1.900 peak 434 weight 0.10000E+01 volume 0.92761E-03 ppm1 2.660 ppm2 5.000 CV 1
ASSI { 959}
(( segid "SH2 " and resid 32 and name HB1 ))
( segid "SH2 " and resid 32 and name HD% )
3.000 1.900 1.900 peak 959 weight 0.10000E+01 volume 0.94527E-03 ppm1 3.240 ppm2 6.730 CV 1
ASSI { 2377}
(( segid "SH2 " and resid 32 and name HB1 ))
(( segid "SH2 " and resid 48 and name HB ))
4.500 2.300 1.500 peak 2377 weight 0.10000E+01 volume 0.55352E-03 ppm1 3.250 ppm2 1.810 CV 1
ASSI { 2378}
(( segid "SH2 " and resid 32 and name HB2 ))
(( segid "SH2 " and resid 48 and name HB ))
4.300 1.900 1.700 peak 2378 weight 0.10000E+01 volume 0.10413E-02 ppm1 2.660 ppm2 1.830 CV 1
ASSI { 429}
(( segid "SH2 " and resid 32 and name HB2 ))
(( segid "SH2 " and resid 32 and name HN ))
3.800 2.000 2.000 peak 429 weight 0.10000E+01 volume 0.79362E-03 ppm1 2.650 ppm2 7.900 CV 1
ASSI { 430}
(( segid "SH2 " and resid 32 and name HB1 ))
(( segid "SH2 " and resid 32 and name HN ))
3.300 2.200 2.200 peak 430 weight 0.10000E+01 volume 0.59143E-03 ppm1 3.240 ppm2 7.860 CV 1
ASSI { 2500}
( segid "SH2 " and resid 101 and name HE% )
( segid "SH2 " and resid 97 and name HD1%)
3.200 1.900 1.900 peak 2500 weight 0.10000E+01 volume 0.97816E-03 ppm1 6.660 ppm2 0.700 CV 1
ASSI { 3034}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 32 and name HB1 ))
2.400 1.300 1.300 peak 3034 weight 0.10000E+01 volume 0.33616E-02 ppm1 0.890 ppm2 3.250 CV 1
ASSI { 2498}
( segid "SH2 " and resid 101 and name HE% )
( segid "SH2 " and resid 86 and name HG2%)
2.400 1.100 1.100 peak 2498 weight 0.10000E+01 volume 0.56363E-02 ppm1 6.660 ppm2 1.280 CV 1
ASSI { 2489}
( segid "SH2 " and resid 101 and name HE% )
( segid "SH2 " and resid 101 and name HD% )
2.100 1.000 1.000 peak 2489 weight 0.10000E+01 volume 0.89982E-02 ppm1 6.660 ppm2 7.020 CV 1
ASSI { 2501}
( segid "SH2 " and resid 101 and name HE% )
( segid "SH2 " and resid 97 and name HD2%)
2.900 1.400 1.400 peak 2501 weight 0.10000E+01 volume 0.25780E-02 ppm1 6.660 ppm2 0.490 CV 1
ASSI { 2495}
( segid "SH2 " and resid 101 and name HE% )
(( segid "SH2 " and resid 57 and name HB1 ))
4.200 2.000 1.800 peak 2495 weight 0.10000E+01 volume 0.81383E-03 ppm1 6.670 ppm2 2.990 CV 1
ASSI { 2504}
( segid "SH2 " and resid 101 and name HE% )
( segid "SH2 " and resid 106 and name HD2%)
2.900 1.700 1.700 peak 2504 weight 0.10000E+01 volume 0.13193E-02 ppm1 6.650 ppm2 -0.660 CV 1
ASSI { 2491}
( segid "SH2 " and resid 101 and name HE% )
( segid "SH2 " and resid 100 and name HD% )
3.200 2.000 2.000 peak 2491 weight 0.10000E+01 volume 0.87706E-03 ppm1 6.660 ppm2 5.710 CV 1
ASSI { 2503}
( segid "SH2 " and resid 101 and name HE% )
(( segid "SH2 " and resid 101 and name HA ))
4.200 2.100 1.800 peak 2503 weight 0.10000E+01 volume 0.69756E-03 ppm1 6.660 ppm2 4.920 CV 1
ASSI { 2496}
( segid "SH2 " and resid 101 and name HE% )
(( segid "SH2 " and resid 101 and name HB2 ))
4.200 1.900 1.800 peak 2496 weight 0.10000E+01 volume 0.95286E-03 ppm1 6.660 ppm2 2.180 CV 1
ASSI { 2385}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 21 and name HB ))
2.000 0.900 0.900 peak 2385 weight 0.10000E+01 volume 0.12815E-01 ppm1 0.980 ppm2 2.190 CV 1
ASSI { 2494}
( segid "SH2 " and resid 101 and name HE% )
(( segid "SH2 " and resid 101 and name HB1 ))
4.300 2.100 1.700 peak 2494 weight 0.10000E+01 volume 0.71783E-03 ppm1 6.660 ppm2 3.330 CV 1
ASSI { 3221}
( segid "SH2 " and resid 45 and name HG2%)
( segid "SH2 " and resid 44 and name HD% )
3.100 1.200 1.200 peak 3221 weight 0.10000E+01 volume 0.44231E-02 ppm1 0.890 ppm2 7.070 CV 1
ASSI { 3220}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 37 and name HA ))
2.400 1.300 1.300 peak 3220 weight 0.10000E+01 volume 0.38671E-02 ppm1 0.900 ppm2 4.460 CV 1
ASSI { 760}
(( segid "SH2 " and resid 91 and name HB2 ))
(( segid "SH2 " and resid 92 and name HN ))
4.200 1.900 1.800 peak 760 weight 0.10000E+01 volume 0.92252E-03 ppm1 2.430 ppm2 -0.890 CV 1
ASSI { 423}
(( segid "SH2 " and resid 32 and name HB1 ))
( segid "SH2 " and resid 32 and name HE% )
4.000 1.800 1.800 peak 423 weight 0.10000E+01 volume 0.11904E-02 ppm1 3.250 ppm2 7.610 CV 1
ASSI { 614}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 46 and name HN ))
4.200 1.900 1.800 peak 614 weight 0.10000E+01 volume 0.96299E-03 ppm1 0.880 ppm2 -0.830 CV 1
ASSI { 422}
(( segid "SH2 " and resid 91 and name HB1 ))
(( segid "SH2 " and resid 91 and name HN ))
3.800 1.900 1.900 peak 422 weight 0.10000E+01 volume 0.10641E-02 ppm1 3.280 ppm2 9.000 CV 1
ASSI { 616}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 45 and name HN ))
2.800 1.500 1.500 peak 616 weight 0.10000E+01 volume 0.19538E-02 ppm1 0.890 ppm2 -0.220 CV 1
ASSI { 752}
(( segid "SH2 " and resid 91 and name HB1 ))
(( segid "SH2 " and resid 91 and name HA ))
2.700 1.500 1.500 peak 752 weight 0.10000E+01 volume 0.22899E-02 ppm1 3.270 ppm2 4.760 CV 1
ASSI { 754}
(( segid "SH2 " and resid 91 and name HB2 ))
( segid "SH2 " and resid 96 and name HB% )
4.100 1.500 1.500 peak 754 weight 0.10000E+01 volume 0.20068E-02 ppm1 2.430 ppm2 1.590 CV 1
ASSI { 426}
(( segid "SH2 " and resid 91 and name HB2 ))
( segid "SH2 " and resid 91 and name HD% )
2.600 1.400 1.400 peak 426 weight 0.10000E+01 volume 0.26286E-02 ppm1 2.430 ppm2 6.980 CV 1
ASSI { 425}
(( segid "SH2 " and resid 91 and name HB1 ))
( segid "SH2 " and resid 91 and name HD% )
2.700 1.400 1.400 peak 425 weight 0.10000E+01 volume 0.27297E-02 ppm1 3.280 ppm2 6.980 CV 1
ASSI { 750}
(( segid "SH2 " and resid 91 and name HB2 ))
(( segid "SH2 " and resid 91 and name HN ))
2.800 1.700 1.700 peak 750 weight 0.10000E+01 volume 0.13522E-02 ppm1 2.430 ppm2 9.010 CV 1
ASSI { 751}
(( segid "SH2 " and resid 91 and name HB2 ))
(( segid "SH2 " and resid 91 and name HA ))
3.200 1.700 1.700 peak 751 weight 0.10000E+01 volume 0.15266E-02 ppm1 2.440 ppm2 4.770 CV 1
ASSI { 757}
(( segid "SH2 " and resid 91 and name HB2 ))
( segid "SH2 " and resid 97 and name HD1%)
3.600 1.700 1.700 peak 757 weight 0.10000E+01 volume 0.13421E-02 ppm1 2.430 ppm2 0.700 CV 1
ASSI { 3319}
( segid "SH2 " and resid 31 and name HG2%)
(( segid "SH2 " and resid 115 and name HB ))
3.100 1.100 1.100 peak 3319 weight 0.10000E+01 volume 0.59901E-02 ppm1 0.920 ppm2 1.650 CV 1
ASSI { 3315}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 49 and name HB2 ))
2.000 1.000 1.000 peak 3315 weight 0.10000E+01 volume 0.73549E-02 ppm1 0.930 ppm2 3.910 CV 1
ASSI { 3322}
( segid "SH2 " and resid 31 and name HG2%)
(( segid "SH2 " and resid 32 and name HN ))
2.700 1.200 1.200 peak 3322 weight 0.10000E+01 volume 0.40187E-02 ppm1 0.930 ppm2 7.870 CV 1
ASSI { 3316}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 27 and name HG1 ))
3.000 1.200 1.200 peak 3316 weight 0.10000E+01 volume 0.50550E-02 ppm1 0.930 ppm2 2.320 CV 1
OR { 3316}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 27 and name HG2 ))
ASSI { 3314}
( segid "SH2 " and resid 31 and name HG2%)
(( segid "SH2 " and resid 31 and name HA ))
2.400 1.200 1.200 peak 3314 weight 0.10000E+01 volume 0.42715E-02 ppm1 0.930 ppm2 5.300 CV 1
ASSI { 3321}
( segid "SH2 " and resid 31 and name HG2%)
(( segid "SH2 " and resid 115 and name HN ))
2.800 1.200 1.200 peak 3321 weight 0.10000E+01 volume 0.40187E-02 ppm1 0.930 ppm2 8.250 CV 1
ASSI { 3327}
( segid "SH2 " and resid 115 and name HG1%)
(( segid "SH2 " and resid 12 and name HD1 ))
5.000 2.100 1.000 peak 3327 weight 0.10000E+01 volume 0.69507E-03 ppm1 0.830 ppm2 7.430 CV 1
ASSI { 3317}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 27 and name HB1 ))
1.900 0.900 0.900 peak 3317 weight 0.10000E+01 volume 0.10944E-01 ppm1 0.910 ppm2 2.050 CV 1
OR { 3317}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 27 and name HB2 ))
ASSI { 345}
(( segid "SH2 " and resid 26 and name HA1 ))
(( segid "SH2 " and resid 27 and name HN ))
3.300 1.700 1.700 peak 345 weight 0.10000E+01 volume 0.14988E-02 ppm1 4.170 ppm2 7.850 CV 1
ASSI { 179}
(( segid "SH2 " and resid 15 and name HB2 ))
( segid "SH2 " and resid 15 and name HD1%)
2.400 1.300 1.300 peak 179 weight 0.10000E+01 volume 0.31088E-02 ppm1 1.530 ppm2 1.020 CV 1
ASSI { 344}
(( segid "SH2 " and resid 26 and name HA1 ))
(( segid "SH2 " and resid 26 and name HN ))
3.000 1.300 1.300 peak 344 weight 0.10000E+01 volume 0.32099E-02 ppm1 4.180 ppm2 8.950 CV 1
ASSI { 343}
(( segid "SH2 " and resid 26 and name HA2 ))
(( segid "SH2 " and resid 26 and name HN ))
2.500 1.300 1.300 peak 343 weight 0.10000E+01 volume 0.35638E-02 ppm1 3.720 ppm2 8.950 CV 1
ASSI { 3333}
(( segid "SH2 " and resid 15 and name HB2 ))
(( segid "SH2 " and resid 20 and name HN ))
4.800 2.200 1.200 peak 3333 weight 0.10000E+01 volume 0.57625E-03 ppm1 1.530 ppm2 8.240 CV 1
ASSI { 549}
(( segid "SH2 " and resid 42 and name HA1 ))
(( segid "SH2 " and resid 42 and name HN ))
3.100 1.400 1.400 peak 549 weight 0.10000E+01 volume 0.27297E-02 ppm1 4.260 ppm2 8.720 CV 1
ASSI { 548}
(( segid "SH2 " and resid 42 and name HA2 ))
(( segid "SH2 " and resid 42 and name HN ))
2.600 1.400 1.400 peak 548 weight 0.10000E+01 volume 0.29824E-02 ppm1 3.490 ppm2 8.720 CV 1
ASSI { 550}
(( segid "SH2 " and resid 42 and name HA1 ))
(( segid "SH2 " and resid 43 and name HN ))
3.600 1.700 1.700 peak 550 weight 0.10000E+01 volume 0.14811E-02 ppm1 4.270 ppm2 7.770 CV 1
ASSI { 3279}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 39 and name HN ))
4.800 2.100 1.200 peak 3279 weight 0.10000E+01 volume 0.67486E-03 ppm1 0.870 ppm2 7.420 CV 1
ASSI { 3277}
( segid "SH2 " and resid 115 and name HG1%)
( segid "SH2 " and resid 33 and name HD1%)
3.500 1.100 1.100 peak 3277 weight 0.10000E+01 volume 0.66218E-02 ppm1 0.810 ppm2 -0.090 CV 1
ASSI { 3278}
( segid "SH2 " and resid 115 and name HG2%)
(( segid "SH2 " and resid 11 and name HN ))
3.000 3.000 3.000 peak 3278 weight 0.10000E+01 volume 0.69252E-03 ppm1 0.810 ppm2 7.660 CV 1
ASSI { 3365}
(( segid "SH2 " and resid 63 and name HA1 ))
(( segid "SH2 " and resid 64 and name HG1 ))
4.200 1.800 1.800 peak 3365 weight 0.10000E+01 volume 0.12410E-02 ppm1 4.140 ppm2 1.980 CV 1
OR { 3365}
(( segid "SH2 " and resid 63 and name HA2 ))
(( segid "SH2 " and resid 64 and name HG1 ))
ASSI { 2680}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 101 and name HA ))
3.800 2.100 2.100 peak 2680 weight 0.10000E+01 volume 0.69507E-03 ppm1 0.120 ppm2 4.920 CV 1
ASSI { 1729}
( segid "SH2 " and resid 110 and name HG2%)
( segid "SH2 " and resid 103 and name HG2%)
2.800 2.800 3.200 peak 1729 weight 0.10000E+01 volume 0.11930E-02 ppm1 0.130 ppm2 0.420 CV 1
ASSI { 2682}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 102 and name HG1 ))
3.600 1.900 1.900 peak 2682 weight 0.10000E+01 volume 0.10565E-02 ppm1 0.130 ppm2 1.230 CV 1
OR { 2682}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 102 and name HG2 ))
ASSI { 2678}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 104 and name HA ))
3.300 1.800 1.800 peak 2678 weight 0.10000E+01 volume 0.12688E-02 ppm1 0.130 ppm2 4.370 CV 1
ASSI { 918}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 104 and name HN ))
3.400 1.900 1.900 peak 918 weight 0.10000E+01 volume 0.10160E-02 ppm1 0.130 ppm2 7.520 CV 1
ASSI { 1743}
(( segid "SH2 " and resid 33 and name HB1 ))
(( segid "SH2 " and resid 33 and name HN ))
3.000 1.600 1.600 peak 1743 weight 0.10000E+01 volume 0.18703E-02 ppm1 1.820 ppm2 -0.660 CV 1
OR { 1743}
(( segid "SH2 " and resid 33 and name HB2 ))
(( segid "SH2 " and resid 33 and name HN ))
ASSI { 919}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 110 and name HN ))
3.200 1.300 1.300 peak 919 weight 0.10000E+01 volume 0.30835E-02 ppm1 0.130 ppm2 7.230 CV 1
ASSI { 2679}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 110 and name HA ))
2.300 1.000 1.000 peak 2679 weight 0.10000E+01 volume 0.75824E-02 ppm1 0.130 ppm2 4.690 CV 1
ASSI { 2677}
( segid "SH2 " and resid 110 and name HG2%)
( segid "SH2 " and resid 105 and name HD% )
3.000 1.400 1.400 peak 2677 weight 0.10000E+01 volume 0.26539E-02 ppm1 0.130 ppm2 6.830 CV 1
ASSI { 924}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 105 and name HA ))
2.600 1.200 1.200 peak 924 weight 0.10000E+01 volume 0.49792E-02 ppm1 0.130 ppm2 3.790 CV 1
ASSI { 923}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 110 and name HB ))
2.300 1.000 1.000 peak 923 weight 0.10000E+01 volume 0.81134E-02 ppm1 0.130 ppm2 4.120 CV 1
ASSI { 921}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 109 and name HA ))
4.000 1.900 1.900 peak 921 weight 0.10000E+01 volume 0.92252E-03 ppm1 0.130 ppm2 5.140 CV 1
ASSI { 925}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 105 and name HB1 ))
2.800 2.800 3.200 peak 925 weight 0.10000E+01 volume 0.10211E-02 ppm1 0.130 ppm2 2.740 CV 1
ASSI { 2675}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 106 and name HN ))
3.400 1.700 1.700 peak 2675 weight 0.10000E+01 volume 0.13295E-02 ppm1 0.130 ppm2 7.880 CV 1
ASSI { 915}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 111 and name HN ))
3.100 1.500 1.500 peak 915 weight 0.10000E+01 volume 0.20321E-02 ppm1 0.130 ppm2 8.920 CV 1
ASSI { 2674}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 105 and name HN ))
3.600 1.900 1.900 peak 2674 weight 0.10000E+01 volume 0.10186E-02 ppm1 0.120 ppm2 8.120 CV 1
ASSI { 2392}
( segid "SH2 " and resid 79 and name HG1%)
(( segid "SH2 " and resid 77 and name HA ))
2.400 2.400 3.600 peak 2392 weight 0.10000E+01 volume 0.27550E-02 ppm1 0.900 ppm2 4.410 CV 1
OR { 2392}
( segid "SH2 " and resid 79 and name HG2%)
(( segid "SH2 " and resid 77 and name HA ))
ASSI { 926}
( segid "SH2 " and resid 110 and name HG2%)
(( segid "SH2 " and resid 105 and name HB2 ))
2.800 2.800 3.200 peak 926 weight 0.10000E+01 volume 0.10515E-02 ppm1 0.130 ppm2 2.520 CV 1
ASSI { 679}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 55 and name HB1 ))
3.200 3.200 2.800 peak 679 weight 0.10000E+01 volume 0.32099E-02 ppm1 0.910 ppm2 3.630 CV 1
ASSI { 680}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 48 and name HB ))
2.200 1.000 1.000 peak 680 weight 0.10000E+01 volume 0.92003E-02 ppm1 0.910 ppm2 1.830 CV 1
ASSI { 1751}
(( segid "SH2 " and resid 46 and name HB2 ))
( segid "SH2 " and resid 46 and name HD2%)
2.700 1.400 1.400 peak 1751 weight 0.10000E+01 volume 0.24163E-02 ppm1 1.230 ppm2 0.380 CV 1
ASSI { 1750}
(( segid "SH2 " and resid 46 and name HB2 ))
( segid "SH2 " and resid 46 and name HD1%)
3.400 1.500 1.500 peak 1750 weight 0.10000E+01 volume 0.20271E-02 ppm1 1.230 ppm2 0.580 CV 1
ASSI { 1739}
(( segid "SH2 " and resid 46 and name HB2 ))
(( segid "SH2 " and resid 57 and name HB1 ))
4.100 1.900 1.900 peak 1739 weight 0.10000E+01 volume 0.94024E-03 ppm1 1.220 ppm2 2.940 CV 1
ASSI { 2654}
(( segid "SH2 " and resid 33 and name HB2 ))
(( segid "SH2 " and resid 12 and name HD1 ))
2.900 1.700 1.700 peak 2654 weight 0.10000E+01 volume 0.13396E-02 ppm1 1.830 ppm2 7.450 CV 1
OR { 2654}
(( segid "SH2 " and resid 33 and name HB1 ))
(( segid "SH2 " and resid 12 and name HD1 ))
ASSI { 3282}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 112 and name HN ))
4.600 2.300 1.400 peak 3282 weight 0.10000E+01 volume 0.52572E-03 ppm1 0.970 ppm2 -0.880 CV 1
ASSI { 1744}
(( segid "SH2 " and resid 33 and name HB1 ))
( segid "SH2 " and resid 33 and name HD2%)
2.900 1.800 1.800 peak 1744 weight 0.10000E+01 volume 0.12284E-02 ppm1 1.840 ppm2 0.610 CV 1
OR { 1744}
(( segid "SH2 " and resid 33 and name HB2 ))
( segid "SH2 " and resid 33 and name HD2%)
ASSI { 1731}
(( segid "SH2 " and resid 33 and name HB2 ))
(( segid "SH2 " and resid 33 and name HA ))
2.600 1.500 1.500 peak 1731 weight 0.10000E+01 volume 0.20498E-02 ppm1 1.770 ppm2 4.770 CV 1
OR { 1731}
(( segid "SH2 " and resid 33 and name HB1 ))
(( segid "SH2 " and resid 33 and name HA ))
ASSI { 1749}
(( segid "SH2 " and resid 46 and name HB2 ))
( segid "SH2 " and resid 59 and name HD1%)
2.100 1.100 1.100 peak 1749 weight 0.10000E+01 volume 0.51561E-02 ppm1 1.200 ppm2 0.710 CV 1
ASSI { 3281}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 30 and name HN ))
3.300 1.800 1.800 peak 3281 weight 0.10000E+01 volume 0.11374E-02 ppm1 0.910 ppm2 -0.590 CV 1
ASSI { 1741}
(( segid "SH2 " and resid 84 and name HB2 ))
(( segid "SH2 " and resid 84 and name HG ))
2.400 1.200 1.200 peak 1741 weight 0.10000E+01 volume 0.43473E-02 ppm1 1.590 ppm2 1.200 CV 1
OR { 1741}
(( segid "SH2 " and resid 84 and name HB1 ))
(( segid "SH2 " and resid 84 and name HG ))
ASSI { 1736}
(( segid "SH2 " and resid 84 and name HB1 ))
(( segid "SH2 " and resid 85 and name HN ))
3.400 1.900 1.900 peak 1736 weight 0.10000E+01 volume 0.93265E-03 ppm1 1.580 ppm2 8.990 CV 1
OR { 1736}
(( segid "SH2 " and resid 84 and name HB2 ))
(( segid "SH2 " and resid 85 and name HN ))
ASSI { 670}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 48 and name HN ))
3.100 1.300 1.300 peak 670 weight 0.10000E+01 volume 0.33110E-02 ppm1 0.910 ppm2 8.780 CV 1
ASSI { 2636}
( segid "SH2 " and resid 48 and name HG2%)
( segid "SH2 " and resid 54 and name HG2%)
2.900 2.900 3.100 peak 2636 weight 0.10000E+01 volume 0.60914E-02 ppm1 0.910 ppm2 0.350 CV 1
ASSI { 2399}
(( segid "SH2 " and resid 84 and name HB1 ))
( segid "SH2 " and resid 84 and name HD1%)
2.600 1.300 1.300 peak 2399 weight 0.10000E+01 volume 0.38165E-02 ppm1 1.590 ppm2 0.690 CV 1
OR { 2399}
(( segid "SH2 " and resid 84 and name HB2 ))
( segid "SH2 " and resid 84 and name HD1%)
ASSI { 675}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 55 and name HN ))
3.700 1.700 1.700 peak 675 weight 0.10000E+01 volume 0.13826E-02 ppm1 0.920 ppm2 -0.960 CV 1
ASSI { 2424}
(( segid "SH2 " and resid 28 and name HD2 ))
( segid "SH2 " and resid 31 and name HG1%)
3.400 1.700 1.700 peak 2424 weight 0.10000E+01 volume 0.14861E-02 ppm1 3.150 ppm2 1.070 CV 1
OR { 2424}
(( segid "SH2 " and resid 28 and name HD1 ))
( segid "SH2 " and resid 31 and name HG1%)
ASSI { 2428}
(( segid "SH2 " and resid 35 and name HD2 ))
(( segid "SH2 " and resid 35 and name HH21))
4.300 2.000 1.700 peak 2428 weight 0.10000E+01 volume 0.83155E-03 ppm1 3.540 ppm2 -0.400 CV 1
OR { 2428}
(( segid "SH2 " and resid 35 and name HD1 ))
(( segid "SH2 " and resid 35 and name HH21))
ASSI { 2400}
(( segid "SH2 " and resid 84 and name HB2 ))
(( segid "SH2 " and resid 93 and name HN ))
2.900 2.900 3.100 peak 2400 weight 0.10000E+01 volume 0.31088E-02 ppm1 1.560 ppm2 7.340 CV 1
OR { 2400}
(( segid "SH2 " and resid 84 and name HB1 ))
(( segid "SH2 " and resid 93 and name HN ))
ASSI { 2405}
(( segid "SH2 " and resid 28 and name HD1 ))
(( segid "SH2 " and resid 29 and name HN ))
2.900 2.000 2.000 peak 2405 weight 0.10000E+01 volume 0.87706E-03 ppm1 3.140 ppm2 8.170 CV 1
OR { 2405}
(( segid "SH2 " and resid 28 and name HD2 ))
(( segid "SH2 " and resid 29 and name HN ))
ASSI { 2420}
( segid "SH2 " and resid 48 and name HG1%)
( segid "SH2 " and resid 111 and name HD2%)
3.000 1.300 1.300 peak 2420 weight 0.10000E+01 volume 0.31594E-02 ppm1 0.940 ppm2 -0.010 CV 1
ASSI { 2448}
(( segid "SH2 " and resid 28 and name HD1 ))
(( segid "SH2 " and resid 28 and name HA ))
4.000 1.700 1.700 peak 2448 weight 0.10000E+01 volume 0.15570E-02 ppm1 3.160 ppm2 3.940 CV 1
OR { 2448}
(( segid "SH2 " and resid 28 and name HD2 ))
(( segid "SH2 " and resid 28 and name HA ))
ASSI { 2443}
(( segid "SH2 " and resid 53 and name HD1 ))
(( segid "SH2 " and resid 54 and name HN ))
4.300 2.100 1.700 peak 2443 weight 0.10000E+01 volume 0.71783E-03 ppm1 3.220 ppm2 7.920 CV 1
OR { 2443}
(( segid "SH2 " and resid 53 and name HD2 ))
(( segid "SH2 " and resid 54 and name HN ))
ASSI { 2434}
(( segid "SH2 " and resid 28 and name HD2 ))
(( segid "SH2 " and resid 28 and name HB1 ))
1.800 0.800 0.800 peak 2434 weight 0.10000E+01 volume 0.14407E-01 ppm1 3.150 ppm2 1.760 CV 1
OR { 2434}
(( segid "SH2 " and resid 28 and name HD1 ))
(( segid "SH2 " and resid 28 and name HB1 ))
ASSI { 2454}
(( segid "SH2 " and resid 28 and name HD2 ))
(( segid "SH2 " and resid 27 and name HA ))
5.100 2.000 0.900 peak 2454 weight 0.10000E+01 volume 0.87955E-03 ppm1 3.160 ppm2 4.240 CV 1
OR { 2454}
(( segid "SH2 " and resid 28 and name HD1 ))
(( segid "SH2 " and resid 27 and name HA ))
ASSI { 2411}
(( segid "SH2 " and resid 35 and name HD1 ))
(( segid "SH2 " and resid 35 and name HE ))
3.000 1.900 1.900 peak 2411 weight 0.10000E+01 volume 0.97058E-03 ppm1 3.570 ppm2 6.430 CV 1
OR { 2411}
(( segid "SH2 " and resid 35 and name HD2 ))
(( segid "SH2 " and resid 35 and name HE ))
ASSI { 2427}
(( segid "SH2 " and resid 35 and name HD1 ))
( segid "SH2 " and resid 15 and name HD2%)
3.100 2.000 2.000 peak 2427 weight 0.10000E+01 volume 0.80879E-03 ppm1 3.560 ppm2 0.500 CV 1
OR { 2427}
(( segid "SH2 " and resid 35 and name HD2 ))
( segid "SH2 " and resid 15 and name HD2%)
ASSI { 2452}
(( segid "SH2 " and resid 14 and name HD2 ))
(( segid "SH2 " and resid 14 and name HG1 ))
2.600 1.200 1.200 peak 2452 weight 0.10000E+01 volume 0.42209E-02 ppm1 3.220 ppm2 1.910 CV 1
OR { 2452}
(( segid "SH2 " and resid 14 and name HD1 ))
(( segid "SH2 " and resid 14 and name HG2 ))
OR { 2452}
(( segid "SH2 " and resid 14 and name HD2 ))
(( segid "SH2 " and resid 14 and name HG2 ))
OR { 2452}
(( segid "SH2 " and resid 14 and name HD1 ))
(( segid "SH2 " and resid 14 and name HG1 ))
ASSI { 2433}
(( segid "SH2 " and resid 53 and name HD2 ))
(( segid "SH2 " and resid 53 and name HG1 ))
1.900 0.800 0.800 peak 2433 weight 0.10000E+01 volume 0.17541E-01 ppm1 3.220 ppm2 1.660 CV 1
OR { 2433}
(( segid "SH2 " and resid 53 and name HD1 ))
(( segid "SH2 " and resid 53 and name HG2 ))
OR { 2433}
(( segid "SH2 " and resid 53 and name HD1 ))
(( segid "SH2 " and resid 53 and name HG1 ))
OR { 2433}
(( segid "SH2 " and resid 53 and name HD2 ))
(( segid "SH2 " and resid 53 and name HG2 ))
ASSI { 2423}
(( segid "SH2 " and resid 35 and name HD1 ))
(( segid "SH2 " and resid 15 and name HB2 ))
3.900 1.600 1.600 peak 2423 weight 0.10000E+01 volume 0.15948E-02 ppm1 3.550 ppm2 1.510 CV 1
OR { 2423}
(( segid "SH2 " and resid 35 and name HD2 ))
(( segid "SH2 " and resid 15 and name HB2 ))
ASSI { 2404}
(( segid "SH2 " and resid 14 and name HD1 ))
(( segid "SH2 " and resid 14 and name HN ))
4.300 2.000 1.700 peak 2404 weight 0.10000E+01 volume 0.81134E-03 ppm1 3.210 ppm2 8.520 CV 1
OR { 2404}
(( segid "SH2 " and resid 14 and name HD2 ))
(( segid "SH2 " and resid 14 and name HN ))
ASSI { 2449}
(( segid "SH2 " and resid 28 and name HD2 ))
(( segid "SH2 " and resid 30 and name HA2 ))
3.500 1.600 1.600 peak 2449 weight 0.10000E+01 volume 0.17440E-02 ppm1 3.170 ppm2 3.580 CV 1
OR { 2449}
(( segid "SH2 " and resid 28 and name HD1 ))
(( segid "SH2 " and resid 30 and name HA2 ))
ASSI { 2446}
(( segid "SH2 " and resid 14 and name HD1 ))
(( segid "SH2 " and resid 14 and name HA ))
3.500 1.600 1.600 peak 2446 weight 0.10000E+01 volume 0.17414E-02 ppm1 3.230 ppm2 4.300 CV 1
OR { 2446}
(( segid "SH2 " and resid 14 and name HD2 ))
(( segid "SH2 " and resid 14 and name HA ))
ASSI { 2412}
(( segid "SH2 " and resid 35 and name HD2 ))
(( segid "SH2 " and resid 35 and name HH22))
4.600 2.100 1.400 peak 2412 weight 0.10000E+01 volume 0.75570E-03 ppm1 3.530 ppm2 5.900 CV 1
OR { 2412}
(( segid "SH2 " and resid 35 and name HD1 ))
(( segid "SH2 " and resid 35 and name HH22))
ASSI { 2426}
(( segid "SH2 " and resid 35 and name HD1 ))
( segid "SH2 " and resid 33 and name HD2%)
4.100 1.900 1.900 peak 2426 weight 0.10000E+01 volume 0.10160E-02 ppm1 3.570 ppm2 0.630 CV 1
OR { 2426}
(( segid "SH2 " and resid 35 and name HD2 ))
( segid "SH2 " and resid 33 and name HD2%)
ASSI { 2445}
(( segid "SH2 " and resid 53 and name HD2 ))
(( segid "SH2 " and resid 55 and name HA ))
3.500 2.000 2.000 peak 2445 weight 0.10000E+01 volume 0.89223E-03 ppm1 3.220 ppm2 4.510 CV 1
OR { 2445}
(( segid "SH2 " and resid 53 and name HD1 ))
(( segid "SH2 " and resid 55 and name HA ))
ASSI { 2739}
(( segid "SH2 " and resid 85 and name HD1 ))
(( segid "SH2 " and resid 85 and name HG2 ))
2.200 1.000 1.000 peak 2739 weight 0.10000E+01 volume 0.78100E-02 ppm1 3.160 ppm2 1.480 CV 1
OR { 2739}
(( segid "SH2 " and resid 85 and name HD2 ))
(( segid "SH2 " and resid 85 and name HG1 ))
OR { 2739}
(( segid "SH2 " and resid 85 and name HD2 ))
(( segid "SH2 " and resid 85 and name HG2 ))
OR { 2739}
(( segid "SH2 " and resid 85 and name HD1 ))
(( segid "SH2 " and resid 85 and name HG1 ))
ASSI { 2455}
(( segid "SH2 " and resid 53 and name HD2 ))
(( segid "SH2 " and resid 50 and name HA ))
4.500 2.200 1.500 peak 2455 weight 0.10000E+01 volume 0.65715E-03 ppm1 3.200 ppm2 4.180 CV 1
OR { 2455}
(( segid "SH2 " and resid 53 and name HD1 ))
(( segid "SH2 " and resid 50 and name HA ))
ASSI { 1831}
( segid "SH2 " and resid 73 and name HB% )
(( segid "SH2 " and resid 73 and name HN ))
3.400 1.900 1.900 peak 1831 weight 0.10000E+01 volume 0.96548E-03 ppm1 1.330 ppm2 7.960 CV 1
ASSI { 1820}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 44 and name HB1 ))
3.900 1.900 1.900 peak 1820 weight 0.10000E+01 volume 0.90989E-03 ppm1 0.740 ppm2 3.160 CV 1
ASSI { 263}
(( segid "SH2 " and resid 21 and name HA ))
(( segid "SH2 " and resid 24 and name HN ))
3.000 1.700 1.700 peak 263 weight 0.10000E+01 volume 0.13472E-02 ppm1 3.490 ppm2 7.380 CV 1
ASSI { 264}
(( segid "SH2 " and resid 21 and name HA ))
(( segid "SH2 " and resid 21 and name HB ))
3.000 1.500 1.500 peak 264 weight 0.10000E+01 volume 0.19866E-02 ppm1 3.490 ppm2 2.200 CV 1
ASSI { 1828}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 59 and name HA ))
2.500 1.200 1.200 peak 1828 weight 0.10000E+01 volume 0.47517E-02 ppm1 0.740 ppm2 4.490 CV 1
ASSI { 265}
(( segid "SH2 " and resid 21 and name HA ))
(( segid "SH2 " and resid 54 and name HB ))
3.300 1.700 1.700 peak 265 weight 0.10000E+01 volume 0.13396E-02 ppm1 3.490 ppm2 1.920 CV 1
ASSI { 2514}
(( segid "SH2 " and resid 21 and name HA ))
( segid "SH2 " and resid 54 and name HG2%)
2.700 1.300 1.300 peak 2514 weight 0.10000E+01 volume 0.31341E-02 ppm1 3.490 ppm2 0.370 CV 1
ASSI { 268}
(( segid "SH2 " and resid 21 and name HA ))
( segid "SH2 " and resid 21 and name HG2%)
2.200 0.900 0.900 peak 268 weight 0.10000E+01 volume 0.10287E-01 ppm1 3.500 ppm2 0.960 CV 1
ASSI { 1821}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 44 and name HB2 ))
2.800 1.600 1.600 peak 1821 weight 0.10000E+01 volume 0.15999E-02 ppm1 0.740 ppm2 2.660 CV 1
ASSI { 1826}
( segid "SH2 " and resid 59 and name HG2%)
( segid "SH2 " and resid 44 and name HD% )
3.300 1.500 1.500 peak 1826 weight 0.10000E+01 volume 0.21711E-02 ppm1 0.740 ppm2 7.040 CV 1
ASSI { 1822}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 59 and name HB ))
2.200 1.000 1.000 peak 1822 weight 0.10000E+01 volume 0.75321E-02 ppm1 0.740 ppm2 1.720 CV 1
ASSI { 260}
(( segid "SH2 " and resid 21 and name HA ))
(( segid "SH2 " and resid 25 and name HN ))
3.200 1.800 1.800 peak 260 weight 0.10000E+01 volume 0.10893E-02 ppm1 3.500 ppm2 8.670 CV 1
ASSI { 1829}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 61 and name HB2 ))
3.700 2.300 2.300 peak 1829 weight 0.10000E+01 volume 0.55605E-03 ppm1 0.730 ppm2 3.900 CV 1
ASSI { 1827}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 86 and name HA ))
3.500 1.800 1.800 peak 1827 weight 0.10000E+01 volume 0.12815E-02 ppm1 0.740 ppm2 4.840 CV 1
ASSI { 262}
(( segid "SH2 " and resid 21 and name HA ))
(( segid "SH2 " and resid 22 and name HN ))
3.500 2.000 2.000 peak 262 weight 0.10000E+01 volume 0.79113E-03 ppm1 3.500 ppm2 7.640 CV 1
ASSI { 1814}
( segid "SH2 " and resid 109 and name HG2%)
(( segid "SH2 " and resid 109 and name HN ))
2.900 1.300 1.300 peak 1814 weight 0.10000E+01 volume 0.33868E-02 ppm1 1.230 ppm2 8.310 CV 1
ASSI { 3225}
( segid "SH2 " and resid 109 and name HG2%)
(( segid "SH2 " and resid 108 and name HN ))
3.200 3.200 2.800 peak 3225 weight 0.10000E+01 volume 0.16859E-02 ppm1 1.220 ppm2 8.470 CV 1
ASSI { 2673}
( segid "SH2 " and resid 109 and name HG2%)
(( segid "SH2 " and resid 29 and name HB1 ))
3.400 1.800 1.800 peak 2673 weight 0.10000E+01 volume 0.11576E-02 ppm1 1.230 ppm2 3.130 CV 1
OR { 2673}
( segid "SH2 " and resid 109 and name HG2%)
(( segid "SH2 " and resid 29 and name HB2 ))
ASSI { 1825}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 60 and name HN ))
2.600 1.300 1.300 peak 1825 weight 0.10000E+01 volume 0.33110E-02 ppm1 0.740 ppm2 -0.960 CV 1
ASSI { 567}
(( segid "SH2 " and resid 44 and name HB1 ))
( segid "SH2 " and resid 59 and name HD1%)
2.900 1.600 1.600 peak 567 weight 0.10000E+01 volume 0.17996E-02 ppm1 3.170 ppm2 0.730 CV 1
ASSI { 1806}
(( segid "SH2 " and resid 44 and name HB2 ))
( segid "SH2 " and resid 44 and name HD% )
2.700 1.700 1.700 peak 1806 weight 0.10000E+01 volume 0.15317E-02 ppm1 2.670 ppm2 7.050 CV 1
ASSI { 1811}
(( segid "SH2 " and resid 44 and name HB2 ))
(( segid "SH2 " and resid 59 and name HB ))
2.500 1.500 1.500 peak 1811 weight 0.10000E+01 volume 0.20751E-02 ppm1 2.660 ppm2 1.720 CV 1
ASSI { 1804}
(( segid "SH2 " and resid 44 and name HB1 ))
( segid "SH2 " and resid 44 and name HD% )
2.900 1.500 1.500 peak 1804 weight 0.10000E+01 volume 0.20625E-02 ppm1 3.170 ppm2 7.050 CV 1
ASSI { 1836}
( segid "SH2 " and resid 109 and name HG2%)
(( segid "SH2 " and resid 30 and name HA2 ))
3.100 3.100 2.900 peak 1836 weight 0.10000E+01 volume 0.17010E-02 ppm1 1.220 ppm2 3.580 CV 1
ASSI { 1839}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 91 and name HB1 ))
2.500 1.400 1.400 peak 1839 weight 0.10000E+01 volume 0.28055E-02 ppm1 1.580 ppm2 3.280 CV 1
ASSI { 3068}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 92 and name HA ))
3.400 3.400 2.600 peak 3068 weight 0.10000E+01 volume 0.36649E-02 ppm1 1.580 ppm2 4.740 CV 1
ASSI { 1833}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 97 and name HN ))
2.300 1.100 1.100 peak 1833 weight 0.10000E+01 volume 0.69003E-02 ppm1 1.580 ppm2 6.990 CV 1
ASSI { 3075}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 92 and name HB2 ))
3.600 1.900 1.900 peak 3075 weight 0.10000E+01 volume 0.10691E-02 ppm1 1.570 ppm2 2.760 CV 1
OR { 3075}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 92 and name HB1 ))
ASSI { 1832}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 93 and name HN ))
2.500 1.200 1.200 peak 1832 weight 0.10000E+01 volume 0.44737E-02 ppm1 1.580 ppm2 7.370 CV 1
ASSI { 1843}
(( segid "SH2 " and resid 44 and name HB2 ))
( segid "SH2 " and resid 59 and name HD1%)
3.500 1.500 1.500 peak 1843 weight 0.10000E+01 volume 0.20523E-02 ppm1 2.660 ppm2 0.720 CV 1
ASSI { 1854}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 17 and name HA ))
4.200 2.100 1.800 peak 1854 weight 0.10000E+01 volume 0.68245E-03 ppm1 2.820 ppm2 3.580 CV 1
OR { 1854}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 17 and name HA ))
ASSI { 3069}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 35 and name HH11))
4.100 1.800 1.800 peak 3069 weight 0.10000E+01 volume 0.11955E-02 ppm1 2.870 ppm2 0.190 CV 1
OR { 3069}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 35 and name HH11))
ASSI { 1845}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 17 and name HB2 ))
3.100 1.400 1.400 peak 1845 weight 0.10000E+01 volume 0.28055E-02 ppm1 2.830 ppm2 1.240 CV 1
OR { 1845}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 17 and name HB2 ))
ASSI { 1649}
(( segid "SH2 " and resid 43 and name HB2 ))
(( segid "SH2 " and resid 40 and name HB1 ))
3.200 1.900 1.900 peak 1649 weight 0.10000E+01 volume 0.91493E-03 ppm1 2.760 ppm2 4.150 CV 1
ASSI { 1840}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 92 and name HN ))
3.300 1.800 1.800 peak 1840 weight 0.10000E+01 volume 0.11500E-02 ppm1 1.580 ppm2 -0.870 CV 1
ASSI { 1859}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 17 and name HG2 ))
3.000 1.800 1.800 peak 1859 weight 0.10000E+01 volume 0.12637E-02 ppm1 2.860 ppm2 2.020 CV 1
OR { 1859}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 17 and name HG1 ))
OR { 1859}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 17 and name HG2 ))
OR { 1859}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 17 and name HG1 ))
ASSI { 1881}
(( segid "SH2 " and resid 55 and name HB1 ))
(( segid "SH2 " and resid 48 and name HB ))
3.500 1.900 1.900 peak 1881 weight 0.10000E+01 volume 0.10615E-02 ppm1 3.660 ppm2 1.830 CV 1
ASSI { 1883}
(( segid "SH2 " and resid 55 and name HB1 ))
( segid "SH2 " and resid 48 and name HG2%)
2.900 1.500 1.500 peak 1883 weight 0.10000E+01 volume 0.19260E-02 ppm1 3.650 ppm2 0.900 CV 1
ASSI { 1866}
(( segid "SH2 " and resid 55 and name HB1 ))
( segid "SH2 " and resid 57 and name HE% )
2.900 1.600 1.600 peak 1866 weight 0.10000E+01 volume 0.17263E-02 ppm1 3.650 ppm2 6.380 CV 1
ASSI { 1865}
(( segid "SH2 " and resid 55 and name HB2 ))
( segid "SH2 " and resid 57 and name HE% )
3.700 1.600 1.600 peak 1865 weight 0.10000E+01 volume 0.16631E-02 ppm1 3.210 ppm2 6.380 CV 1
ASSI { 1079}
(( segid "SH2 " and resid 10 and name HZ2 ))
(( segid "SH2 " and resid 10 and name HH2 ))
2.300 1.200 1.200 peak 1079 weight 0.10000E+01 volume 0.50550E-02 ppm1 7.410 ppm2 6.950 CV 1
ASSI { 1876}
(( segid "SH2 " and resid 55 and name HB1 ))
(( segid "SH2 " and resid 55 and name HA ))
3.200 1.600 1.600 peak 1876 weight 0.10000E+01 volume 0.16555E-02 ppm1 3.650 ppm2 4.490 CV 1
ASSI { 1867}
(( segid "SH2 " and resid 55 and name HB1 ))
( segid "SH2 " and resid 57 and name HD% )
3.500 2.100 2.100 peak 1867 weight 0.10000E+01 volume 0.69507E-03 ppm1 3.650 ppm2 6.720 CV 1
ASSI { 1875}
(( segid "SH2 " and resid 55 and name HB2 ))
(( segid "SH2 " and resid 55 and name HA ))
2.800 1.400 1.400 peak 1875 weight 0.10000E+01 volume 0.25275E-02 ppm1 3.220 ppm2 4.490 CV 1
ASSI { 1882}
(( segid "SH2 " and resid 55 and name HB2 ))
( segid "SH2 " and resid 48 and name HG2%)
3.500 1.700 1.700 peak 1882 weight 0.10000E+01 volume 0.14988E-02 ppm1 3.220 ppm2 0.910 CV 1
ASSI { 1864}
(( segid "SH2 " and resid 55 and name HB2 ))
( segid "SH2 " and resid 57 and name HD% )
4.300 1.900 1.700 peak 1864 weight 0.10000E+01 volume 0.10060E-02 ppm1 3.220 ppm2 6.700 CV 1
ASSI { 1081}
(( segid "SH2 " and resid 10 and name HZ2 ))
(( segid "SH2 " and resid 95 and name HD1 ))
3.200 1.600 1.600 peak 1081 weight 0.10000E+01 volume 0.17667E-02 ppm1 7.410 ppm2 3.790 CV 1
OR { 1081}
(( segid "SH2 " and resid 10 and name HZ2 ))
(( segid "SH2 " and resid 95 and name HD2 ))
ASSI { 1085}
(( segid "SH2 " and resid 10 and name HZ2 ))
(( segid "SH2 " and resid 95 and name HB2 ))
4.300 1.400 1.400 peak 1085 weight 0.10000E+01 volume 0.23986E-02 ppm1 7.410 ppm2 2.020 CV 1
ASSI { 2587}
(( segid "SH2 " and resid 55 and name HB2 ))
(( segid "SH2 " and resid 48 and name HB ))
3.600 1.900 1.900 peak 2587 weight 0.10000E+01 volume 0.94278E-03 ppm1 3.220 ppm2 1.840 CV 1
ASSI { 1084}
(( segid "SH2 " and resid 10 and name HZ2 ))
(( segid "SH2 " and resid 95 and name HB1 ))
3.800 1.600 1.600 peak 1084 weight 0.10000E+01 volume 0.15746E-02 ppm1 7.410 ppm2 2.330 CV 1
ASSI { 1889}
(( segid "SH2 " and resid 97 and name HB2 ))
( segid "SH2 " and resid 97 and name HD2%)
3.000 1.700 1.700 peak 1889 weight 0.10000E+01 volume 0.15595E-02 ppm1 1.690 ppm2 0.510 CV 1
OR { 1889}
(( segid "SH2 " and resid 97 and name HB1 ))
( segid "SH2 " and resid 97 and name HD2%)
ASSI { 554}
(( segid "SH2 " and resid 43 and name HB2 ))
(( segid "SH2 " and resid 43 and name HA ))
3.000 1.500 1.500 peak 554 weight 0.10000E+01 volume 0.21408E-02 ppm1 2.750 ppm2 5.080 CV 1
ASSI { 3092}
( segid "SH2 " and resid 20 and name HB% )
(( segid "SH2 " and resid 35 and name HH12))
4.800 2.100 1.200 peak 3092 weight 0.10000E+01 volume 0.67486E-03 ppm1 1.400 ppm2 5.740 CV 1
ASSI { 3091}
( segid "SH2 " and resid 20 and name HB% )
(( segid "SH2 " and resid 35 and name HH22))
4.800 2.300 1.200 peak 3091 weight 0.10000E+01 volume 0.56867E-03 ppm1 1.400 ppm2 5.880 CV 1
ASSI { 2605}
( segid "SH2 " and resid 20 and name HB% )
( segid "SH2 " and resid 33 and name HD1%)
2.800 1.300 1.300 peak 2605 weight 0.10000E+01 volume 0.36396E-02 ppm1 1.410 ppm2 -0.090 CV 1
ASSI { 2604}
( segid "SH2 " and resid 20 and name HB% )
( segid "SH2 " and resid 24 and name HD2%)
2.900 2.900 3.100 peak 2604 weight 0.10000E+01 volume 0.65460E-02 ppm1 1.410 ppm2 0.510 CV 1
ASSI { 245}
( segid "SH2 " and resid 20 and name HB% )
(( segid "SH2 " and resid 20 and name HN ))
2.200 1.000 1.000 peak 245 weight 0.10000E+01 volume 0.81134E-02 ppm1 1.410 ppm2 8.250 CV 1
ASSI { 255}
( segid "SH2 " and resid 20 and name HB% )
( segid "SH2 " and resid 33 and name HD2%)
2.600 1.100 1.100 peak 255 weight 0.10000E+01 volume 0.52067E-02 ppm1 1.410 ppm2 0.620 CV 1
ASSI { 3088}
( segid "SH2 " and resid 20 and name HB% )
(( segid "SH2 " and resid 35 and name HE ))
2.700 1.400 1.400 peak 3088 weight 0.10000E+01 volume 0.24340E-02 ppm1 1.410 ppm2 6.440 CV 1
ASSI { 244}
( segid "SH2 " and resid 20 and name HB% )
(( segid "SH2 " and resid 21 and name HN ))
2.400 1.200 1.200 peak 244 weight 0.10000E+01 volume 0.44484E-02 ppm1 1.410 ppm2 8.350 CV 1
ASSI { 1705}
(( segid "SH2 " and resid 107 and name HB1 ))
(( segid "SH2 " and resid 107 and name HN ))
2.800 1.400 1.400 peak 1705 weight 0.10000E+01 volume 0.27044E-02 ppm1 2.930 ppm2 8.460 CV 1
ASSI { 1704}
(( segid "SH2 " and resid 107 and name HB2 ))
(( segid "SH2 " and resid 107 and name HN ))
2.800 1.400 1.400 peak 1704 weight 0.10000E+01 volume 0.26033E-02 ppm1 2.800 ppm2 8.470 CV 1
ASSI { 3204}
(( segid "SH2 " and resid 102 and name HE1 ))
(( segid "SH2 " and resid 99 and name HA ))
4.000 2.000 2.000 peak 3204 weight 0.10000E+01 volume 0.87706E-03 ppm1 2.800 ppm2 3.700 CV 1
ASSI { 1897}
(( segid "SH2 " and resid 102 and name HE1 ))
(( segid "SH2 " and resid 102 and name HG2 ))
3.100 1.500 1.500 peak 1897 weight 0.10000E+01 volume 0.20801E-02 ppm1 2.790 ppm2 1.210 CV 1
OR { 1897}
(( segid "SH2 " and resid 102 and name HE1 ))
(( segid "SH2 " and resid 102 and name HG1 ))
ASSI { 1896}
(( segid "SH2 " and resid 102 and name HE2 ))
(( segid "SH2 " and resid 102 and name HG2 ))
2.900 1.600 1.600 peak 1896 weight 0.10000E+01 volume 0.17642E-02 ppm1 2.590 ppm2 1.210 CV 1
OR { 1896}
(( segid "SH2 " and resid 102 and name HE2 ))
(( segid "SH2 " and resid 102 and name HG1 ))
ASSI { 3205}
(( segid "SH2 " and resid 102 and name HE2 ))
(( segid "SH2 " and resid 99 and name HA ))
3.600 1.900 1.900 peak 3205 weight 0.10000E+01 volume 0.90735E-03 ppm1 2.590 ppm2 3.680 CV 1
ASSI { 1894}
(( segid "SH2 " and resid 102 and name HE1 ))
(( segid "SH2 " and resid 102 and name HB1 ))
3.200 1.300 1.300 peak 1894 weight 0.10000E+01 volume 0.38671E-02 ppm1 2.790 ppm2 1.600 CV 1
OR { 1894}
(( segid "SH2 " and resid 102 and name HE1 ))
(( segid "SH2 " and resid 102 and name HB2 ))
ASSI { 1895}
(( segid "SH2 " and resid 102 and name HE2 ))
(( segid "SH2 " and resid 102 and name HB1 ))
2.800 1.200 1.200 peak 1895 weight 0.10000E+01 volume 0.40187E-02 ppm1 2.590 ppm2 1.600 CV 1
OR { 1895}
(( segid "SH2 " and resid 102 and name HE2 ))
(( segid "SH2 " and resid 102 and name HB2 ))
ASSI { 242}
( segid "SH2 " and resid 22 and name HB% )
(( segid "SH2 " and resid 23 and name HN ))
2.600 1.100 1.100 peak 242 weight 0.10000E+01 volume 0.55605E-02 ppm1 1.430 ppm2 7.340 CV 1
ASSI { 241}
( segid "SH2 " and resid 22 and name HB% )
(( segid "SH2 " and resid 22 and name HN ))
2.100 0.900 0.900 peak 241 weight 0.10000E+01 volume 0.13421E-01 ppm1 1.430 ppm2 7.640 CV 1
ASSI { 1030}
(( segid "SH2 " and resid 104 and name HD2 ))
(( segid "SH2 " and resid 104 and name HA ))
2.900 1.400 1.400 peak 1030 weight 0.10000E+01 volume 0.25780E-02 ppm1 7.200 ppm2 4.390 CV 1
ASSI { 1915}
(( segid "SH2 " and resid 93 and name HB1 ))
(( segid "SH2 " and resid 96 and name HN ))
3.600 2.000 2.000 peak 1915 weight 0.10000E+01 volume 0.86438E-03 ppm1 4.020 ppm2 7.270 CV 1
OR { 1915}
(( segid "SH2 " and resid 93 and name HB2 ))
(( segid "SH2 " and resid 96 and name HN ))
ASSI { 1913}
(( segid "SH2 " and resid 93 and name HB1 ))
(( segid "SH2 " and resid 93 and name HA ))
2.500 1.200 1.200 peak 1913 weight 0.10000E+01 volume 0.48275E-02 ppm1 4.020 ppm2 4.560 CV 1
OR { 1913}
(( segid "SH2 " and resid 93 and name HB2 ))
(( segid "SH2 " and resid 93 and name HA ))
ASSI { 1909}
(( segid "SH2 " and resid 93 and name HB1 ))
(( segid "SH2 " and resid 94 and name HN ))
2.900 1.500 1.500 peak 1909 weight 0.10000E+01 volume 0.20473E-02 ppm1 4.030 ppm2 -0.630 CV 1
OR { 1909}
(( segid "SH2 " and resid 93 and name HB2 ))
(( segid "SH2 " and resid 94 and name HN ))
ASSI { 1919}
( segid "SH2 " and resid 58 and name HG2%)
( segid "SH2 " and resid 57 and name HD% )
3.800 1.700 1.700 peak 1919 weight 0.10000E+01 volume 0.15013E-02 ppm1 0.970 ppm2 6.710 CV 1
ASSI { 1920}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "SH2 " and resid 57 and name HA ))
4.000 1.400 1.400 peak 1920 weight 0.10000E+01 volume 0.26791E-02 ppm1 0.970 ppm2 4.880 CV 1
ASSI { 3097}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "SH2 " and resid 43 and name HB1 ))
3.400 3.400 2.600 peak 3097 weight 0.10000E+01 volume 0.44231E-02 ppm1 0.970 ppm2 2.930 CV 1
ASSI { 1923}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 223 and name HG1 ))
3.100 1.700 1.700 peak 1923 weight 0.10000E+01 volume 0.14988E-02 ppm1 0.970 ppm2 2.430 CV 1
ASSI { 3096}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "SH2 " and resid 37 and name HB2 ))
3.100 3.100 2.900 peak 3096 weight 0.10000E+01 volume 0.65715E-02 ppm1 0.970 ppm2 3.130 CV 1
ASSI { 1405}
(( segid "SH2 " and resid 92 and name HB2 ))
(( segid "SH2 " and resid 92 and name HA ))
2.500 1.000 1.000 peak 1405 weight 0.10000E+01 volume 0.73300E-02 ppm1 2.740 ppm2 4.750 CV 1
OR { 1405}
(( segid "SH2 " and resid 92 and name HB1 ))
(( segid "SH2 " and resid 92 and name HA ))
ASSI { 1404}
(( segid "SH2 " and resid 92 and name HB1 ))
(( segid "SH2 " and resid 93 and name HN ))
3.400 1.700 1.700 peak 1404 weight 0.10000E+01 volume 0.13219E-02 ppm1 2.750 ppm2 7.390 CV 1
OR { 1404}
(( segid "SH2 " and resid 92 and name HB2 ))
(( segid "SH2 " and resid 93 and name HN ))
ASSI { 1409}
(( segid "SH2 " and resid 60 and name HB2 ))
(( segid "SH2 " and resid 85 and name HB1 ))
3.100 1.700 1.700 peak 1409 weight 0.10000E+01 volume 0.13396E-02 ppm1 2.870 ppm2 1.860 CV 1
ASSI { 1407}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 85 and name HB1 ))
2.800 1.600 1.600 peak 1407 weight 0.10000E+01 volume 0.16277E-02 ppm1 2.540 ppm2 1.840 CV 1
ASSI { 1757}
( segid "SH2 " and resid 112 and name HG2%)
(( segid "SH2 " and resid 113 and name HA ))
3.700 1.900 1.900 peak 1757 weight 0.10000E+01 volume 0.10515E-02 ppm1 0.920 ppm2 4.990 CV 1
ASSI { 1759}
( segid "SH2 " and resid 112 and name HG2%)
(( segid "SH2 " and resid 112 and name HA ))
2.300 1.000 1.000 peak 1759 weight 0.10000E+01 volume 0.84417E-02 ppm1 0.910 ppm2 4.380 CV 1
ASSI { 1937}
(( segid "SH2 " and resid 47 and name HB2 ))
( segid "SH2 " and resid 20 and name HB% )
3.500 2.000 2.000 peak 1937 weight 0.10000E+01 volume 0.87955E-03 ppm1 3.390 ppm2 1.410 CV 1
ASSI { 1758}
( segid "SH2 " and resid 112 and name HG2%)
(( segid "SH2 " and resid 30 and name HA1 ))
3.900 1.500 1.500 peak 1758 weight 0.10000E+01 volume 0.21003E-02 ppm1 0.900 ppm2 4.730 CV 1
ASSI { 1939}
(( segid "SH2 " and resid 47 and name HB1 ))
(( segid "SH2 " and resid 33 and name HG ))
3.100 2.100 2.100 peak 1939 weight 0.10000E+01 volume 0.75321E-03 ppm1 3.490 ppm2 1.640 CV 1
ASSI { 1931}
(( segid "SH2 " and resid 47 and name HB1 ))
( segid "SH2 " and resid 54 and name HG2%)
3.500 1.900 1.900 peak 1931 weight 0.10000E+01 volume 0.94782E-03 ppm1 3.480 ppm2 0.360 CV 1
ASSI { 2541}
(( segid "SH2 " and resid 47 and name HB2 ))
( segid "SH2 " and resid 24 and name HD1%)
3.300 1.400 1.400 peak 2541 weight 0.10000E+01 volume 0.25275E-02 ppm1 3.390 ppm2 0.560 CV 1
ASSI { 1932}
(( segid "SH2 " and resid 47 and name HB2 ))
( segid "SH2 " and resid 54 and name HG2%)
4.100 2.000 1.900 peak 1932 weight 0.10000E+01 volume 0.83914E-03 ppm1 3.400 ppm2 0.370 CV 1
ASSI { 1938}
(( segid "SH2 " and resid 47 and name HB2 ))
(( segid "SH2 " and resid 33 and name HG ))
3.200 2.100 2.100 peak 1938 weight 0.10000E+01 volume 0.71528E-03 ppm1 3.380 ppm2 1.590 CV 1
ASSI { 1936}
(( segid "SH2 " and resid 47 and name HB1 ))
( segid "SH2 " and resid 20 and name HB% )
3.400 1.900 1.900 peak 1936 weight 0.10000E+01 volume 0.99333E-03 ppm1 3.500 ppm2 1.410 CV 1
ASSI { 1767}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 85 and name HB2 ))
4.000 1.700 1.700 peak 1767 weight 0.10000E+01 volume 0.14432E-02 ppm1 2.550 ppm2 1.660 CV 1
ASSI { 1763}
(( segid "SH2 " and resid 111 and name HB2 ))
( segid "SH2 " and resid 111 and name HD2%)
2.700 1.600 1.600 peak 1763 weight 0.10000E+01 volume 0.15948E-02 ppm1 1.190 ppm2 -0.020 CV 1
ASSI { 1769}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 85 and name HG2 ))
3.500 1.900 1.900 peak 1769 weight 0.10000E+01 volume 0.10363E-02 ppm1 2.540 ppm2 1.490 CV 1
OR { 1769}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 85 and name HG1 ))
ASSI { 2794}
( segid "SH2 " and resid 112 and name HG2%)
(( segid "SH2 " and resid 112 and name HN ))
3.700 1.500 1.500 peak 2794 weight 0.10000E+01 volume 0.22217E-02 ppm1 0.910 ppm2 -0.910 CV 1
ASSI { 1764}
(( segid "SH2 " and resid 111 and name HB2 ))
(( segid "SH2 " and resid 111 and name HG ))
2.600 1.300 1.300 peak 1764 weight 0.10000E+01 volume 0.30330E-02 ppm1 1.190 ppm2 0.790 CV 1
ASSI { 2579}
( segid "SH2 " and resid 86 and name HG2%)
( segid "SH2 " and resid 84 and name HD2%)
3.200 3.200 2.800 peak 2579 weight 0.10000E+01 volume 0.41198E-02 ppm1 1.300 ppm2 0.880 CV 1
ASSI { 1941}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "SH2 " and resid 85 and name HA ))
3.600 1.700 1.700 peak 1941 weight 0.10000E+01 volume 0.15039E-02 ppm1 1.300 ppm2 5.330 CV 1
ASSI { 2580}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "SH2 " and resid 86 and name HB ))
2.200 1.000 1.000 peak 2580 weight 0.10000E+01 volume 0.73549E-02 ppm1 1.300 ppm2 1.840 CV 1
ASSI { 3105}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "SH2 " and resid 90 and name HA ))
3.500 2.100 2.100 peak 3105 weight 0.10000E+01 volume 0.74562E-03 ppm1 1.300 ppm2 5.170 CV 1
ASSI { 2469}
(( segid "SH2 " and resid 61 and name HB1 ))
( segid "SH2 " and resid 44 and name HD% )
4.300 2.200 1.700 peak 2469 weight 0.10000E+01 volume 0.57376E-03 ppm1 4.020 ppm2 7.030 CV 1
ASSI { 2586}
( segid "SH2 " and resid 86 and name HG2%)
( segid "SH2 " and resid 97 and name HD1%)
2.300 1.000 1.000 peak 2586 weight 0.10000E+01 volume 0.92252E-02 ppm1 1.300 ppm2 0.710 CV 1
ASSI { 2577}
( segid "SH2 " and resid 86 and name HG2%)
( segid "SH2 " and resid 86 and name HD1%)
2.900 0.900 0.900 peak 2577 weight 0.10000E+01 volume 0.10868E-01 ppm1 1.300 ppm2 0.470 CV 1
ASSI { 1948}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "SH2 " and resid 86 and name HN ))
2.300 1.100 1.100 peak 1948 weight 0.10000E+01 volume 0.54594E-02 ppm1 1.300 ppm2 8.590 CV 1
ASSI { 1294}
( segid "SH2 " and resid 86 and name HG2%)
( segid "SH2 " and resid 100 and name HD% )
3.200 1.800 1.800 peak 1294 weight 0.10000E+01 volume 0.12284E-02 ppm1 1.290 ppm2 5.710 CV 1
ASSI { 1960}
(( segid "SH2 " and resid 61 and name HB1 ))
(( segid "SH2 " and resid 62 and name HN ))
4.100 2.000 1.900 peak 1960 weight 0.10000E+01 volume 0.79872E-03 ppm1 4.010 ppm2 8.570 CV 1
ASSI { 1949}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "SH2 " and resid 89 and name HN ))
3.300 1.800 1.800 peak 1949 weight 0.10000E+01 volume 0.10969E-02 ppm1 1.300 ppm2 8.260 CV 1
ASSI { 1953}
(( segid "SH2 " and resid 61 and name HB1 ))
( segid "SH2 " and resid 84 and name HD2%)
3.800 3.800 2.200 peak 1953 weight 0.10000E+01 volume 0.14356E-02 ppm1 4.020 ppm2 0.890 CV 1
ASSI { 1956}
(( segid "SH2 " and resid 61 and name HB2 ))
( segid "SH2 " and resid 44 and name HE% )
3.500 1.900 1.900 peak 1956 weight 0.10000E+01 volume 0.91493E-03 ppm1 3.880 ppm2 6.830 CV 1
ASSI { 1955}
(( segid "SH2 " and resid 61 and name HB2 ))
(( segid "SH2 " and resid 61 and name HA ))
2.600 1.400 1.400 peak 1955 weight 0.10000E+01 volume 0.29824E-02 ppm1 3.890 ppm2 5.090 CV 1
ASSI { 1959}
(( segid "SH2 " and resid 38 and name HB1 ))
(( segid "SH2 " and resid 39 and name HN ))
3.700 2.000 2.000 peak 1959 weight 0.10000E+01 volume 0.83659E-03 ppm1 4.030 ppm2 7.450 CV 1
ASSI { 1300}
(( segid "SH2 " and resid 94 and name HB2 ))
(( segid "SH2 " and resid 94 and name HN ))
2.500 1.700 1.700 peak 1300 weight 0.10000E+01 volume 0.15089E-02 ppm1 1.180 ppm2 -0.640 CV 1
ASSI { 1950}
(( segid "SH2 " and resid 88 and name HB2 ))
(( segid "SH2 " and resid 88 and name HN ))
2.800 1.500 1.500 peak 1950 weight 0.10000E+01 volume 0.23329E-02 ppm1 2.700 ppm2 8.600 CV 1
ASSI { 1306}
(( segid "SH2 " and resid 98 and name HB2 ))
(( segid "SH2 " and resid 98 and name HN ))
2.600 1.500 1.500 peak 1306 weight 0.10000E+01 volume 0.20422E-02 ppm1 0.700 ppm2 7.810 CV 1
ASSI { 1307}
(( segid "SH2 " and resid 98 and name HB2 ))
(( segid "SH2 " and resid 98 and name HB1 ))
1.800 1.100 1.100 peak 1307 weight 0.10000E+01 volume 0.58893E-02 ppm1 0.700 ppm2 1.460 CV 1
ASSI { 2567}
(( segid "SH2 " and resid 86 and name HB ))
(( segid "SH2 " and resid 59 and name HA ))
3.500 1.800 1.800 peak 2567 weight 0.10000E+01 volume 0.11677E-02 ppm1 1.820 ppm2 4.500 CV 1
ASSI { 2575}
(( segid "SH2 " and resid 94 and name HB2 ))
( segid "SH2 " and resid 94 and name HD1%)
2.600 1.500 1.500 peak 2575 weight 0.10000E+01 volume 0.20574E-02 ppm1 1.170 ppm2 0.580 CV 1
ASSI { 527}
(( segid "SH2 " and resid 36 and name HB2 ))
(( segid "SH2 " and resid 14 and name HA ))
3.300 1.500 1.500 peak 527 weight 0.10000E+01 volume 0.20245E-02 ppm1 2.360 ppm2 4.290 CV 1
ASSI { 2574}
(( segid "SH2 " and resid 94 and name HB2 ))
( segid "SH2 " and resid 94 and name HD2%)
3.300 1.500 1.500 peak 2574 weight 0.10000E+01 volume 0.22141E-02 ppm1 1.170 ppm2 0.360 CV 1
ASSI { 2622}
(( segid "SH2 " and resid 94 and name HB1 ))
(( segid "SH2 " and resid 95 and name HD1 ))
3.000 1.500 1.500 peak 2622 weight 0.10000E+01 volume 0.19916E-02 ppm1 1.910 ppm2 3.790 CV 1
OR { 2622}
(( segid "SH2 " and resid 94 and name HB1 ))
(( segid "SH2 " and resid 95 and name HD2 ))
ASSI { 524}
(( segid "SH2 " and resid 36 and name HB2 ))
(( segid "SH2 " and resid 37 and name HN ))
4.500 2.100 1.500 peak 524 weight 0.10000E+01 volume 0.69252E-03 ppm1 2.380 ppm2 8.060 CV 1
ASSI { 2571}
(( segid "SH2 " and resid 94 and name HB1 ))
( segid "SH2 " and resid 94 and name HD2%)
2.500 1.500 1.500 peak 2571 weight 0.10000E+01 volume 0.22318E-02 ppm1 1.910 ppm2 0.370 CV 1
ASSI { 1943}
(( segid "SH2 " and resid 94 and name HB2 ))
(( segid "SH2 " and resid 94 and name HA ))
2.800 1.500 1.500 peak 1943 weight 0.10000E+01 volume 0.19916E-02 ppm1 1.170 ppm2 4.020 CV 1
ASSI { 1947}
(( segid "SH2 " and resid 94 and name HB1 ))
(( segid "SH2 " and resid 94 and name HB2 ))
1.700 1.100 1.100 peak 1947 weight 0.10000E+01 volume 0.60660E-02 ppm1 1.900 ppm2 1.170 CV 1
ASSI { 2619}
(( segid "SH2 " and resid 41 and name HA ))
(( segid "SH2 " and resid 42 and name HN ))
2.300 1.000 1.000 peak 2619 weight 0.10000E+01 volume 0.69756E-02 ppm1 4.200 ppm2 8.720 CV 1
ASSI { 1433}
(( segid "SH2 " and resid 94 and name HB1 ))
(( segid "SH2 " and resid 94 and name HN ))
3.500 1.500 1.500 peak 1433 weight 0.10000E+01 volume 0.21383E-02 ppm1 1.900 ppm2 -0.630 CV 1
ASSI { 1966}
(( segid "SH2 " and resid 61 and name HB2 ))
( segid "SH2 " and resid 84 and name HD2%)
2.900 2.900 3.100 peak 1966 weight 0.10000E+01 volume 0.24871E-02 ppm1 3.860 ppm2 0.900 CV 1
ASSI { 2655}
(( segid "SH2 " and resid 41 and name HA ))
(( segid "SH2 " and resid 41 and name HB2 ))
2.700 1.100 1.100 peak 2655 weight 0.10000E+01 volume 0.51308E-02 ppm1 4.200 ppm2 2.240 CV 1
ASSI { 2618}
(( segid "SH2 " and resid 41 and name HA ))
(( segid "SH2 " and resid 43 and name HN ))
3.400 1.700 1.700 peak 2618 weight 0.10000E+01 volume 0.14861E-02 ppm1 4.190 ppm2 7.770 CV 1
ASSI { 1962}
(( segid "SH2 " and resid 62 and name HB1 ))
(( segid "SH2 " and resid 62 and name HN ))
2.900 1.500 1.500 peak 1962 weight 0.10000E+01 volume 0.21711E-02 ppm1 3.850 ppm2 8.570 CV 1
OR { 1962}
(( segid "SH2 " and resid 62 and name HB2 ))
(( segid "SH2 " and resid 62 and name HN ))
ASSI { 2466}
(( segid "SH2 " and resid 38 and name HB2 ))
(( segid "SH2 " and resid 39 and name HN ))
3.300 2.000 2.000 peak 2466 weight 0.10000E+01 volume 0.85176E-03 ppm1 3.970 ppm2 7.470 CV 1
ASSI { 2627}
(( segid "SH2 " and resid 94 and name HB2 ))
(( segid "SH2 " and resid 95 and name HD1 ))
2.500 1.600 1.600 peak 2627 weight 0.10000E+01 volume 0.17414E-02 ppm1 1.160 ppm2 3.790 CV 1
OR { 2627}
(( segid "SH2 " and resid 94 and name HB2 ))
(( segid "SH2 " and resid 95 and name HD2 ))
ASSI { 2468}
(( segid "SH2 " and resid 38 and name HB2 ))
(( segid "SH2 " and resid 38 and name HN ))
3.200 2.000 2.000 peak 2468 weight 0.10000E+01 volume 0.86693E-03 ppm1 3.980 ppm2 1.020 CV 1
ASSI { 1432}
(( segid "SH2 " and resid 94 and name HB1 ))
(( segid "SH2 " and resid 94 and name HA ))
2.700 1.600 1.600 peak 1432 weight 0.10000E+01 volume 0.17465E-02 ppm1 1.900 ppm2 4.030 CV 1
ASSI { 3106}
(( segid "SH2 " and resid 36 and name HB1 ))
(( segid "SH2 " and resid 44 and name HA ))
4.600 2.100 1.400 peak 3106 weight 0.10000E+01 volume 0.74811E-03 ppm1 2.800 ppm2 5.400 CV 1
ASSI { 3107}
(( segid "SH2 " and resid 59 and name HB ))
( segid "SH2 " and resid 44 and name HD% )
4.500 2.000 1.500 peak 3107 weight 0.10000E+01 volume 0.81893E-03 ppm1 1.760 ppm2 7.060 CV 1
ASSI { 3405}
(( segid "SH2 " and resid 38 and name HB2 ))
(( segid "SH2 " and resid 40 and name HN ))
4.400 2.300 1.600 peak 3405 weight 0.10000E+01 volume 0.52825E-03 ppm1 3.980 ppm2 7.630 CV 1
ASSI { 826}
(( segid "SH2 " and resid 100 and name HB1 ))
(( segid "SH2 " and resid 100 and name HA ))
3.200 1.600 1.600 peak 826 weight 0.10000E+01 volume 0.16454E-02 ppm1 2.940 ppm2 4.110 CV 1
ASSI { 1417}
(( segid "SH2 " and resid 59 and name HB ))
(( segid "SH2 " and resid 44 and name HB1 ))
2.800 1.700 1.700 peak 1417 weight 0.10000E+01 volume 0.14786E-02 ppm1 1.730 ppm2 3.160 CV 1
ASSI { 2482}
(( segid "SH2 " and resid 100 and name HB1 ))
( segid "SH2 " and resid 100 and name HD% )
3.100 2.000 2.000 peak 2482 weight 0.10000E+01 volume 0.83914E-03 ppm1 2.940 ppm2 5.700 CV 1
ASSI { 1413}
(( segid "SH2 " and resid 100 and name HB1 ))
(( segid "SH2 " and resid 97 and name HA ))
3.200 2.100 2.100 peak 1413 weight 0.10000E+01 volume 0.67486E-03 ppm1 2.990 ppm2 1.980 CV 1
ASSI { 1427}
(( segid "SH2 " and resid 103 and name HB ))
( segid "SH2 " and resid 103 and name HD1%)
2.700 1.200 1.200 peak 1427 weight 0.10000E+01 volume 0.40693E-02 ppm1 1.560 ppm2 0.690 CV 1
ASSI { 1420}
(( segid "SH2 " and resid 103 and name HB ))
(( segid "SH2 " and resid 103 and name HN ))
2.700 1.300 1.300 peak 1420 weight 0.10000E+01 volume 0.31341E-02 ppm1 1.560 ppm2 6.750 CV 1
ASSI { 2800}
(( segid "SH2 " and resid 103 and name HB ))
( segid "SH2 " and resid 103 and name HG2%)
2.400 1.100 1.100 peak 2800 weight 0.10000E+01 volume 0.61418E-02 ppm1 1.560 ppm2 0.460 CV 1
ASSI { 2796}
(( segid "SH2 " and resid 103 and name HB ))
(( segid "SH2 " and resid 104 and name HN ))
3.000 1.600 1.600 peak 2796 weight 0.10000E+01 volume 0.18981E-02 ppm1 1.560 ppm2 7.540 CV 1
ASSI { 1426}
(( segid "SH2 " and resid 112 and name HB ))
( segid "SH2 " and resid 112 and name HG2%)
2.300 1.100 1.100 peak 1426 weight 0.10000E+01 volume 0.55352E-02 ppm1 1.590 ppm2 0.910 CV 1
ASSI { 1793}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 46 and name HA ))
3.900 1.900 1.900 peak 1793 weight 0.10000E+01 volume 0.93010E-03 ppm1 0.720 ppm2 5.150 CV 1
ASSI { 856}
(( segid "SH2 " and resid 105 and name HB2 ))
( segid "SH2 " and resid 105 and name HD% )
3.200 1.700 1.700 peak 856 weight 0.10000E+01 volume 0.13446E-02 ppm1 2.500 ppm2 6.840 CV 1
ASSI { 1976}
(( segid "SH2 " and resid 105 and name HB1 ))
(( segid "SH2 " and resid 105 and name HA ))
2.900 1.500 1.500 peak 1976 weight 0.10000E+01 volume 0.19285E-02 ppm1 2.770 ppm2 3.790 CV 1
ASSI { 1978}
(( segid "SH2 " and resid 57 and name HB1 ))
(( segid "SH2 " and resid 57 and name HA ))
3.000 1.900 1.900 peak 1978 weight 0.10000E+01 volume 0.10160E-02 ppm1 2.950 ppm2 4.890 CV 1
ASSI { 1971}
(( segid "SH2 " and resid 57 and name HB2 ))
(( segid "SH2 " and resid 46 and name HB2 ))
2.600 1.900 1.900 peak 1971 weight 0.10000E+01 volume 0.10565E-02 ppm1 2.820 ppm2 1.220 CV 1
ASSI { 1972}
(( segid "SH2 " and resid 57 and name HB1 ))
( segid "SH2 " and resid 86 and name HD1%)
3.300 2.100 2.100 peak 1972 weight 0.10000E+01 volume 0.76328E-03 ppm1 2.970 ppm2 0.490 CV 1
ASSI { 1979}
(( segid "SH2 " and resid 57 and name HB2 ))
( segid "SH2 " and resid 57 and name HD% )
2.900 1.600 1.600 peak 1979 weight 0.10000E+01 volume 0.18122E-02 ppm1 2.820 ppm2 6.720 CV 1
ASSI { 2002}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 45 and name HB ))
3.500 3.500 2.500 peak 2002 weight 0.10000E+01 volume 0.23329E-02 ppm1 0.720 ppm2 2.010 CV 1
ASSI { 375}
(( segid "SH2 " and resid 31 and name HA ))
(( segid "SH2 " and resid 31 and name HB ))
2.800 1.600 1.600 peak 375 weight 0.10000E+01 volume 0.17389E-02 ppm1 5.300 ppm2 2.130 CV 1
ASSI { 3128}
( segid "SH2 " and resid 59 and name HD1%)
( segid "SH2 " and resid 44 and name HD% )
4.100 1.700 1.700 peak 3128 weight 0.10000E+01 volume 0.13143E-02 ppm1 0.720 ppm2 7.030 CV 1
ASSI { 2003}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 59 and name HB ))
2.000 0.900 0.900 peak 2003 weight 0.10000E+01 volume 0.11146E-01 ppm1 0.720 ppm2 1.700 CV 1
ASSI { 3124}
(( segid "SH2 " and resid 31 and name HA ))
( segid "SH2 " and resid 32 and name HE% )
3.900 1.900 1.900 peak 3124 weight 0.10000E+01 volume 0.90735E-03 ppm1 5.300 ppm2 7.600 CV 1
ASSI { 2007}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 45 and name HA ))
2.900 1.700 1.700 peak 2007 weight 0.10000E+01 volume 0.13345E-02 ppm1 0.720 ppm2 4.790 CV 1
ASSI { 372}
(( segid "SH2 " and resid 31 and name HA ))
(( segid "SH2 " and resid 113 and name HN ))
2.700 1.400 1.400 peak 372 weight 0.10000E+01 volume 0.24213E-02 ppm1 5.300 ppm2 7.200 CV 1
ASSI { 2011}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 59 and name HN ))
3.100 1.700 1.700 peak 2011 weight 0.10000E+01 volume 0.13017E-02 ppm1 0.710 ppm2 8.810 CV 1
ASSI { 370}
(( segid "SH2 " and resid 31 and name HA ))
(( segid "SH2 " and resid 32 and name HN ))
2.200 1.000 1.000 peak 370 weight 0.10000E+01 volume 0.70011E-02 ppm1 5.300 ppm2 7.880 CV 1
ASSI { 2005}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 58 and name HA ))
4.000 2.100 2.000 peak 2005 weight 0.10000E+01 volume 0.67232E-03 ppm1 0.720 ppm2 4.320 CV 1
ASSI { 2006}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 59 and name HA ))
3.100 1.500 1.500 peak 2006 weight 0.10000E+01 volume 0.20245E-02 ppm1 0.720 ppm2 4.490 CV 1
ASSI { 3126}
(( segid "SH2 " and resid 31 and name HA ))
(( segid "SH2 " and resid 112 and name HB ))
3.600 1.900 1.900 peak 3126 weight 0.10000E+01 volume 0.96803E-03 ppm1 5.310 ppm2 1.590 CV 1
ASSI { 3127}
(( segid "SH2 " and resid 31 and name HA ))
( segid "SH2 " and resid 24 and name HD2%)
4.100 2.000 1.900 peak 3127 weight 0.10000E+01 volume 0.86693E-03 ppm1 5.290 ppm2 0.530 CV 1
ASSI { 1989}
(( segid "SH2 " and resid 37 and name HB1 ))
( segid "SH2 " and resid 45 and name HG2%)
3.700 1.500 1.500 peak 1989 weight 0.10000E+01 volume 0.19942E-02 ppm1 3.250 ppm2 0.900 CV 1
ASSI { 2027}
(( segid "SH2 " and resid 37 and name HB1 ))
(( segid "SH2 " and resid 37 and name HA ))
3.100 1.600 1.600 peak 2027 weight 0.10000E+01 volume 0.17996E-02 ppm1 3.250 ppm2 4.460 CV 1
ASSI { 2025}
(( segid "SH2 " and resid 57 and name HB2 ))
(( segid "SH2 " and resid 57 and name HA ))
3.500 1.900 1.900 peak 2025 weight 0.10000E+01 volume 0.97561E-03 ppm1 2.820 ppm2 4.880 CV 1
ASSI { 2015}
(( segid "SH2 " and resid 57 and name HB1 ))
( segid "SH2 " and resid 57 and name HD% )
2.900 1.700 1.700 peak 2015 weight 0.10000E+01 volume 0.13624E-02 ppm1 2.960 ppm2 6.710 CV 1
ASSI { 2021}
(( segid "SH2 " and resid 58 and name HB ))
(( segid "SH2 " and resid 58 and name HA ))
2.700 1.600 1.600 peak 2021 weight 0.10000E+01 volume 0.15948E-02 ppm1 1.160 ppm2 4.310 CV 1
ASSI { 1985}
(( segid "SH2 " and resid 57 and name HB2 ))
( segid "SH2 " and resid 86 and name HD1%)
3.600 1.800 1.800 peak 1985 weight 0.10000E+01 volume 0.11702E-02 ppm1 2.830 ppm2 0.470 CV 1
ASSI { 3122}
(( segid "SH2 " and resid 106 and name HB1 ))
(( segid "SH2 " and resid 106 and name HB2 ))
2.200 1.600 1.600 peak 3122 weight 0.10000E+01 volume 0.17768E-02 ppm1 1.670 ppm2 1.240 CV 1
ASSI { 3381}
(( segid "SH2 " and resid 64 and name HA ))
(( segid "SH2 " and resid 64 and name HD1 ))
3.200 1.600 1.600 peak 3381 weight 0.10000E+01 volume 0.18400E-02 ppm1 4.400 ppm2 3.580 CV 1
OR { 3381}
(( segid "SH2 " and resid 64 and name HA ))
(( segid "SH2 " and resid 64 and name HD2 ))
ASSI { 2042}
(( segid "SH2 " and resid 40 and name HB2 ))
(( segid "SH2 " and resid 40 and name HB1 ))
2.000 1.100 1.100 peak 2042 weight 0.10000E+01 volume 0.55352E-02 ppm1 3.270 ppm2 4.130 CV 1
ASSI { 538}
(( segid "SH2 " and resid 40 and name HB2 ))
(( segid "SH2 " and resid 40 and name HA ))
2.900 1.400 1.400 peak 538 weight 0.10000E+01 volume 0.23834E-02 ppm1 3.270 ppm2 4.880 CV 1
ASSI { 537}
(( segid "SH2 " and resid 100 and name HA ))
(( segid "SH2 " and resid 103 and name HN ))
3.000 1.800 1.800 peak 537 weight 0.10000E+01 volume 0.12865E-02 ppm1 4.130 ppm2 6.740 CV 1
ASSI { 2049}
(( segid "SH2 " and resid 100 and name HA ))
(( segid "SH2 " and resid 100 and name HN ))
2.600 1.300 1.300 peak 2049 weight 0.10000E+01 volume 0.36649E-02 ppm1 4.120 ppm2 7.540 CV 1
ASSI { 3129}
(( segid "SH2 " and resid 11 and name HB1 ))
(( segid "SH2 " and resid 10 and name HZ3 ))
4.100 1.800 1.800 peak 3129 weight 0.10000E+01 volume 0.11829E-02 ppm1 2.440 ppm2 6.760 CV 1
OR { 3129}
(( segid "SH2 " and resid 11 and name HB1 ))
(( segid "SH2 " and resid 10 and name HN ))
ASSI { 76}
(( segid "SH2 " and resid 11 and name HB2 ))
(( segid "SH2 " and resid 11 and name HA ))
2.700 1.700 1.700 peak 76 weight 0.10000E+01 volume 0.15115E-02 ppm1 2.470 ppm2 5.680 CV 1
ASSI { 73}
(( segid "SH2 " and resid 11 and name HB2 ))
(( segid "SH2 " and resid 12 and name HN ))
4.700 2.200 1.300 peak 73 weight 0.10000E+01 volume 0.63190E-03 ppm1 2.490 ppm2 -0.670 CV 1
ASSI { 822}
(( segid "SH2 " and resid 79 and name HA ))
(( segid "SH2 " and resid 79 and name HB ))
2.600 1.200 1.200 peak 822 weight 0.10000E+01 volume 0.40187E-02 ppm1 4.150 ppm2 2.030 CV 1
ASSI { 818}
(( segid "SH2 " and resid 79 and name HA ))
(( segid "SH2 " and resid 80 and name HN ))
2.600 1.200 1.200 peak 818 weight 0.10000E+01 volume 0.40187E-02 ppm1 4.150 ppm2 8.440 CV 1
ASSI { 819}
(( segid "SH2 " and resid 79 and name HA ))
(( segid "SH2 " and resid 79 and name HN ))
3.100 1.700 1.700 peak 819 weight 0.10000E+01 volume 0.12991E-02 ppm1 4.140 ppm2 7.810 CV 1
ASSI { 2056}
(( segid "SH2 " and resid 79 and name HA ))
( segid "SH2 " and resid 79 and name HG2%)
2.600 1.100 1.100 peak 2056 weight 0.10000E+01 volume 0.58893E-02 ppm1 4.150 ppm2 0.880 CV 1
OR { 2056}
(( segid "SH2 " and resid 79 and name HA ))
( segid "SH2 " and resid 79 and name HG1%)
ASSI { 72}
(( segid "SH2 " and resid 11 and name HB1 ))
(( segid "SH2 " and resid 12 and name HN ))
4.400 2.000 1.600 peak 72 weight 0.10000E+01 volume 0.85176E-03 ppm1 2.420 ppm2 -0.670 CV 1
ASSI { 950}
(( segid "SH2 " and resid 115 and name HA ))
(( segid "SH2 " and resid 115 and name HB ))
2.400 1.200 1.200 peak 950 weight 0.10000E+01 volume 0.44990E-02 ppm1 3.910 ppm2 1.650 CV 1
ASSI { 949}
(( segid "SH2 " and resid 115 and name HA ))
(( segid "SH2 " and resid 115 and name HN ))
2.000 0.900 0.900 peak 949 weight 0.10000E+01 volume 0.12840E-01 ppm1 3.910 ppm2 8.260 CV 1
ASSI { 2055}
(( segid "SH2 " and resid 52 and name HB1 ))
(( segid "SH2 " and resid 53 and name HG2 ))
3.800 2.100 2.100 peak 2055 weight 0.10000E+01 volume 0.66218E-03 ppm1 4.150 ppm2 1.660 CV 1
OR { 2055}
(( segid "SH2 " and resid 52 and name HB2 ))
(( segid "SH2 " and resid 53 and name HG2 ))
OR { 2055}
(( segid "SH2 " and resid 52 and name HB1 ))
(( segid "SH2 " and resid 53 and name HG1 ))
OR { 2055}
(( segid "SH2 " and resid 52 and name HB2 ))
(( segid "SH2 " and resid 53 and name HG1 ))
ASSI { 1118}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 46 and name HG ))
3.900 1.800 1.800 peak 1118 weight 0.10000E+01 volume 0.11829E-02 ppm1 4.900 ppm2 1.920 CV 1
ASSI { 939}
(( segid "SH2 " and resid 112 and name HA ))
(( segid "SH2 " and resid 112 and name HB ))
2.500 1.200 1.200 peak 939 weight 0.10000E+01 volume 0.50045E-02 ppm1 4.380 ppm2 1.590 CV 1
ASSI { 1117}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 104 and name HB2 ))
3.300 1.500 1.500 peak 1117 weight 0.10000E+01 volume 0.20169E-02 ppm1 4.900 ppm2 2.040 CV 1
ASSI { 1115}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 104 and name HB1 ))
3.000 1.800 1.800 peak 1115 weight 0.10000E+01 volume 0.12435E-02 ppm1 4.910 ppm2 3.000 CV 1
ASSI { 1116}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 101 and name HB2 ))
3.100 1.500 1.500 peak 1116 weight 0.10000E+01 volume 0.20776E-02 ppm1 4.920 ppm2 2.170 CV 1
ASSI { 1124}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 102 and name HN ))
3.200 1.700 1.700 peak 1124 weight 0.10000E+01 volume 0.13244E-02 ppm1 4.900 ppm2 7.320 CV 1
ASSI { 1123}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 104 and name HN ))
2.800 1.400 1.400 peak 1123 weight 0.10000E+01 volume 0.27802E-02 ppm1 4.920 ppm2 7.530 CV 1
ASSI { 1114}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 101 and name HB1 ))
2.600 1.400 1.400 peak 1114 weight 0.10000E+01 volume 0.25174E-02 ppm1 4.920 ppm2 3.310 CV 1
ASSI { 735}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "SH2 " and resid 87 and name HN ))
2.800 1.500 1.500 peak 735 weight 0.10000E+01 volume 0.22747E-02 ppm1 0.470 ppm2 -0.670 CV 1
ASSI { 3142}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "SH2 " and resid 59 and name HB ))
3.500 1.400 1.400 peak 3142 weight 0.10000E+01 volume 0.27297E-02 ppm1 0.460 ppm2 1.690 CV 1
ASSI { 738}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "SH2 " and resid 86 and name HB ))
2.200 0.900 0.900 peak 738 weight 0.10000E+01 volume 0.99078E-02 ppm1 0.470 ppm2 1.860 CV 1
ASSI { 3140}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HD2 ))
3.000 1.700 1.700 peak 3140 weight 0.10000E+01 volume 0.13295E-02 ppm1 0.460 ppm2 3.660 CV 1
ASSI { 3139}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HD1 ))
2.800 1.400 1.400 peak 3139 weight 0.10000E+01 volume 0.25528E-02 ppm1 0.470 ppm2 3.820 CV 1
ASSI { 3141}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HG2 ))
2.600 1.200 1.200 peak 3141 weight 0.10000E+01 volume 0.40693E-02 ppm1 0.470 ppm2 2.030 CV 1
OR { 3141}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HG1 ))
ASSI { 2062}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 43 and name HA ))
4.100 1.800 1.800 peak 2062 weight 0.10000E+01 volume 0.11222E-02 ppm1 0.390 ppm2 5.070 CV 1
ASSI { 715}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 43 and name HB1 ))
2.600 1.200 1.200 peak 715 weight 0.10000E+01 volume 0.41198E-02 ppm1 0.390 ppm2 2.970 CV 1
ASSI { 1159}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 37 and name HB1 ))
3.000 1.300 1.300 peak 1159 weight 0.10000E+01 volume 0.32099E-02 ppm1 0.390 ppm2 3.260 CV 1
ASSI { 740}
( segid "SH2 " and resid 58 and name HD1%)
( segid "SH2 " and resid 58 and name HG2%)
2.800 0.900 0.900 peak 740 weight 0.10000E+01 volume 0.10969E-01 ppm1 0.390 ppm2 0.980 CV 1
ASSI { 2548}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 43 and name HN ))
4.300 1.900 1.700 peak 2548 weight 0.10000E+01 volume 0.94782E-03 ppm1 0.390 ppm2 7.770 CV 1
ASSI { 3138}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 40 and name HB1 ))
2.900 1.400 1.400 peak 3138 weight 0.10000E+01 volume 0.24340E-02 ppm1 0.390 ppm2 4.120 CV 1
ASSI { 714}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 43 and name HB2 ))
3.100 1.400 1.400 peak 714 weight 0.10000E+01 volume 0.27044E-02 ppm1 0.390 ppm2 2.760 CV 1
ASSI { 711}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 58 and name HA ))
2.700 1.200 1.200 peak 711 weight 0.10000E+01 volume 0.46506E-02 ppm1 0.390 ppm2 4.310 CV 1
ASSI { 705}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 59 and name HN ))
3.400 1.300 1.300 peak 705 weight 0.10000E+01 volume 0.33868E-02 ppm1 0.390 ppm2 8.820 CV 1
ASSI { 2063}
(( segid "SH2 " and resid 90 and name HG1 ))
(( segid "SH2 " and resid 91 and name HN ))
4.500 1.900 1.500 peak 2063 weight 0.10000E+01 volume 0.97561E-03 ppm1 1.990 ppm2 8.980 CV 1
ASSI { 2064}
(( segid "SH2 " and resid 90 and name HG2 ))
(( segid "SH2 " and resid 91 and name HN ))
4.300 1.900 1.700 peak 2064 weight 0.10000E+01 volume 0.96803E-03 ppm1 1.910 ppm2 8.990 CV 1
ASSI { 2065}
(( segid "SH2 " and resid 90 and name HG2 ))
(( segid "SH2 " and resid 90 and name HN ))
4.100 1.800 1.800 peak 2065 weight 0.10000E+01 volume 0.11020E-02 ppm1 1.930 ppm2 7.650 CV 1
ASSI { 2076}
(( segid "SH2 " and resid 90 and name HG2 ))
(( segid "SH2 " and resid 90 and name HA ))
3.300 1.700 1.700 peak 2076 weight 0.10000E+01 volume 0.15039E-02 ppm1 1.910 ppm2 5.170 CV 1
ASSI { 465}
(( segid "SH2 " and resid 34 and name HA ))
( segid "SH2 " and resid 46 and name HD1%)
3.400 1.600 1.600 peak 465 weight 0.10000E+01 volume 0.17894E-02 ppm1 5.810 ppm2 0.610 CV 1
ASSI { 913}
(( segid "SH2 " and resid 109 and name HA ))
( segid "SH2 " and resid 109 and name HG2%)
3.500 1.500 1.500 peak 913 weight 0.10000E+01 volume 0.20397E-02 ppm1 5.150 ppm2 1.220 CV 1
ASSI { 459}
(( segid "SH2 " and resid 34 and name HA ))
(( segid "SH2 " and resid 46 and name HA ))
2.600 1.500 1.500 peak 459 weight 0.10000E+01 volume 0.23278E-02 ppm1 5.810 ppm2 5.150 CV 1
ASSI { 462}
(( segid "SH2 " and resid 34 and name HA ))
(( segid "SH2 " and resid 34 and name HB ))
2.900 1.800 1.800 peak 462 weight 0.10000E+01 volume 0.10868E-02 ppm1 5.810 ppm2 2.690 CV 1
ASSI { 583}
( segid "SH2 " and resid 11 and name HD% )
(( segid "SH2 " and resid 12 and name HN ))
3.400 1.900 1.900 peak 583 weight 0.10000E+01 volume 0.97307E-03 ppm1 7.070 ppm2 -0.680 CV 1
ASSI { 909}
(( segid "SH2 " and resid 109 and name HA ))
(( segid "SH2 " and resid 110 and name HN ))
2.300 1.000 1.000 peak 909 weight 0.10000E+01 volume 0.71273E-02 ppm1 5.150 ppm2 7.230 CV 1
ASSI { 912}
(( segid "SH2 " and resid 109 and name HA ))
(( segid "SH2 " and resid 109 and name HB ))
2.500 1.200 1.200 peak 912 weight 0.10000E+01 volume 0.45242E-02 ppm1 5.140 ppm2 4.030 CV 1
ASSI { 830}
(( segid "SH2 " and resid 103 and name HA ))
(( segid "SH2 " and resid 104 and name HN ))
3.200 1.700 1.700 peak 830 weight 0.10000E+01 volume 0.15342E-02 ppm1 4.080 ppm2 7.540 CV 1
ASSI { 836}
(( segid "SH2 " and resid 103 and name HA ))
(( segid "SH2 " and resid 103 and name HB ))
2.600 1.200 1.200 peak 836 weight 0.10000E+01 volume 0.43979E-02 ppm1 4.080 ppm2 1.560 CV 1
ASSI { 834}
(( segid "SH2 " and resid 103 and name HA ))
( segid "SH2 " and resid 103 and name HD1%)
3.600 1.600 1.600 peak 834 weight 0.10000E+01 volume 0.18729E-02 ppm1 4.080 ppm2 0.680 CV 1
ASSI { 831}
(( segid "SH2 " and resid 103 and name HA ))
(( segid "SH2 " and resid 103 and name HN ))
2.700 1.300 1.300 peak 831 weight 0.10000E+01 volume 0.30330E-02 ppm1 4.080 ppm2 6.750 CV 1
ASSI { 1666}
(( segid "SH2 " and resid 103 and name HA ))
( segid "SH2 " and resid 110 and name HG2%)
3.000 1.500 1.500 peak 1666 weight 0.10000E+01 volume 0.21206E-02 ppm1 4.090 ppm2 0.130 CV 1
ASSI { 833}
(( segid "SH2 " and resid 103 and name HA ))
( segid "SH2 " and resid 103 and name HG2%)
2.600 1.200 1.200 peak 833 weight 0.10000E+01 volume 0.47264E-02 ppm1 4.080 ppm2 0.460 CV 1
ASSI { 573}
( segid "SH2 " and resid 11 and name HD% )
(( segid "SH2 " and resid 12 and name HA ))
4.000 2.200 2.000 peak 573 weight 0.10000E+01 volume 0.65460E-03 ppm1 7.050 ppm2 4.170 CV 1
ASSI { 466}
(( segid "SH2 " and resid 34 and name HA ))
(( segid "SH2 " and resid 35 and name HN ))
2.200 1.200 1.200 peak 466 weight 0.10000E+01 volume 0.49792E-02 ppm1 5.810 ppm2 -0.410 CV 1
ASSI { 574}
( segid "SH2 " and resid 11 and name HD% )
(( segid "SH2 " and resid 13 and name HA1 ))
4.000 2.100 2.000 peak 574 weight 0.10000E+01 volume 0.70266E-03 ppm1 7.050 ppm2 3.590 CV 1
ASSI { 467}
(( segid "SH2 " and resid 34 and name HA ))
(( segid "SH2 " and resid 34 and name HN ))
2.900 1.700 1.700 peak 467 weight 0.10000E+01 volume 0.14634E-02 ppm1 5.810 ppm2 -0.660 CV 1
ASSI { 1276}
( segid "SH2 " and resid 11 and name HD% )
(( segid "SH2 " and resid 10 and name HE3 ))
3.800 1.500 1.500 peak 1276 weight 0.10000E+01 volume 0.20852E-02 ppm1 7.040 ppm2 7.450 CV 1
ASSI { 1275}
( segid "SH2 " and resid 101 and name HD% )
(( segid "SH2 " and resid 101 and name HA ))
2.900 1.500 1.500 peak 1275 weight 0.10000E+01 volume 0.23076E-02 ppm1 7.030 ppm2 4.900 CV 1
ASSI { 576}
( segid "SH2 " and resid 11 and name HD% )
(( segid "SH2 " and resid 11 and name HB2 ))
2.800 1.200 1.200 peak 576 weight 0.10000E+01 volume 0.43220E-02 ppm1 7.050 ppm2 2.460 CV 1
ASSI { 569}
( segid "SH2 " and resid 11 and name HD% )
(( segid "SH2 " and resid 11 and name HA ))
2.500 1.400 1.400 peak 569 weight 0.10000E+01 volume 0.25275E-02 ppm1 7.050 ppm2 5.680 CV 1
ASSI { 578}
( segid "SH2 " and resid 11 and name HD% )
( segid "SH2 " and resid 34 and name HG2%)
3.000 1.200 1.200 peak 578 weight 0.10000E+01 volume 0.41704E-02 ppm1 7.050 ppm2 1.330 CV 1
ASSI { 903}
(( segid "SH2 " and resid 108 and name HA ))
(( segid "SH2 " and resid 108 and name HN ))
2.900 1.500 1.500 peak 903 weight 0.10000E+01 volume 0.20397E-02 ppm1 4.370 ppm2 8.470 CV 1
ASSI { 3211}
(( segid "SH2 " and resid 108 and name HA ))
( segid "SH2 " and resid 105 and name HD% )
3.500 3.500 2.500 peak 3211 weight 0.10000E+01 volume 0.12132E-02 ppm1 4.370 ppm2 6.840 CV 1
ASSI { 210}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 17 and name HB2 ))
3.000 1.500 1.500 peak 210 weight 0.10000E+01 volume 0.23607E-02 ppm1 3.500 ppm2 1.240 CV 1
ASSI { 212}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 17 and name HB1 ))
2.800 1.500 1.500 peak 212 weight 0.10000E+01 volume 0.21585E-02 ppm1 3.490 ppm2 1.570 CV 1
ASSI { 213}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 17 and name HG2 ))
2.700 1.500 1.500 peak 213 weight 0.10000E+01 volume 0.22621E-02 ppm1 3.490 ppm2 2.020 CV 1
OR { 213}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 17 and name HG1 ))
ASSI { 1626}
(( segid "SH2 " and resid 38 and name HA ))
(( segid "SH2 " and resid 39 and name HN ))
3.400 1.800 1.800 peak 1626 weight 0.10000E+01 volume 0.11778E-02 ppm1 4.440 ppm2 7.450 CV 1
ASSI { 2589}
(( segid "SH2 " and resid 101 and name HB2 ))
( segid "SH2 " and resid 101 and name HD% )
3.100 1.500 1.500 peak 2589 weight 0.10000E+01 volume 0.19916E-02 ppm1 2.170 ppm2 7.030 CV 1
ASSI { 2084}
(( segid "SH2 " and resid 101 and name HB1 ))
(( segid "SH2 " and resid 101 and name HB2 ))
2.000 1.200 1.200 peak 2084 weight 0.10000E+01 volume 0.42209E-02 ppm1 3.310 ppm2 2.170 CV 1
ASSI { 1713}
(( segid "SH2 " and resid 101 and name HB2 ))
(( segid "SH2 " and resid 106 and name HB2 ))
3.600 3.600 2.400 peak 1713 weight 0.10000E+01 volume 0.14483E-02 ppm1 2.170 ppm2 1.290 CV 1
ASSI { 2538}
(( segid "SH2 " and resid 48 and name HB ))
( segid "SH2 " and resid 111 and name HD1%)
3.700 1.800 1.800 peak 2538 weight 0.10000E+01 volume 0.11500E-02 ppm1 1.830 ppm2 0.280 CV 1
ASSI { 2590}
(( segid "SH2 " and resid 101 and name HB1 ))
( segid "SH2 " and resid 101 and name HD% )
2.600 1.500 1.500 peak 2590 weight 0.10000E+01 volume 0.21180E-02 ppm1 3.310 ppm2 7.030 CV 1
ASSI { 2082}
(( segid "SH2 " and resid 101 and name HB1 ))
( segid "SH2 " and resid 111 and name HD2%)
2.700 1.600 1.600 peak 2082 weight 0.10000E+01 volume 0.16403E-02 ppm1 3.310 ppm2 -0.010 CV 1
ASSI { 2083}
(( segid "SH2 " and resid 101 and name HB1 ))
(( segid "SH2 " and resid 106 and name HB2 ))
2.800 1.600 1.600 peak 2083 weight 0.10000E+01 volume 0.16075E-02 ppm1 3.310 ppm2 1.290 CV 1
ASSI { 1715}
(( segid "SH2 " and resid 101 and name HB2 ))
( segid "SH2 " and resid 111 and name HD2%)
3.000 1.600 1.600 peak 1715 weight 0.10000E+01 volume 0.16252E-02 ppm1 2.170 ppm2 -0.020 CV 1
ASSI { 1718}
(( segid "SH2 " and resid 48 and name HB ))
(( segid "SH2 " and resid 32 and name HA ))
4.500 2.000 1.500 peak 1718 weight 0.10000E+01 volume 0.81383E-03 ppm1 1.840 ppm2 5.970 CV 1
ASSI { 208}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 17 and name HN ))
2.800 1.500 1.500 peak 208 weight 0.10000E+01 volume 0.21509E-02 ppm1 3.490 ppm2 -0.780 CV 1
ASSI { 1714}
(( segid "SH2 " and resid 101 and name HB2 ))
( segid "SH2 " and resid 106 and name HD1%)
4.100 2.000 1.900 peak 1714 weight 0.10000E+01 volume 0.86438E-03 ppm1 2.180 ppm2 0.360 CV 1
ASSI { 2735}
( segid "SH2 " and resid 57 and name HD% )
(( segid "SH2 " and resid 46 and name HB2 ))
3.700 2.000 2.000 peak 2735 weight 0.10000E+01 volume 0.88465E-03 ppm1 6.720 ppm2 1.240 CV 1
ASSI { 2733}
( segid "SH2 " and resid 57 and name HD% )
( segid "SH2 " and resid 46 and name HD2%)
4.300 1.800 1.700 peak 2733 weight 0.10000E+01 volume 0.11904E-02 ppm1 6.720 ppm2 0.370 CV 1
ASSI { 2726}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HD1 ))
2.600 1.500 1.500 peak 2726 weight 0.10000E+01 volume 0.19639E-02 ppm1 6.710 ppm2 3.820 CV 1
ASSI { 2724}
( segid "SH2 " and resid 57 and name HD% )
(( segid "SH2 " and resid 57 and name HA ))
3.300 1.800 1.800 peak 2724 weight 0.10000E+01 volume 0.12435E-02 ppm1 6.720 ppm2 4.900 CV 1
ASSI { 2723}
( segid "SH2 " and resid 57 and name HD% )
( segid "SH2 " and resid 57 and name HE% )
2.500 1.200 1.200 peak 2723 weight 0.10000E+01 volume 0.46759E-02 ppm1 6.730 ppm2 6.380 CV 1
ASSI { 2773}
( segid "SH2 " and resid 105 and name HD% )
(( segid "SH2 " and resid 105 and name HB1 ))
3.400 2.000 2.000 peak 2773 weight 0.10000E+01 volume 0.87955E-03 ppm1 6.850 ppm2 2.740 CV 1
ASSI { 2090}
(( segid "SH2 " and resid 45 and name HB ))
(( segid "SH2 " and resid 35 and name HH12))
3.900 2.100 2.100 peak 2090 weight 0.10000E+01 volume 0.68494E-03 ppm1 1.980 ppm2 5.820 CV 1
ASSI { 598}
(( segid "SH2 " and resid 45 and name HB ))
(( segid "SH2 " and resid 45 and name HA ))
3.200 2.000 2.000 peak 598 weight 0.10000E+01 volume 0.81893E-03 ppm1 1.960 ppm2 4.760 CV 1
ASSI { 600}
(( segid "SH2 " and resid 45 and name HB ))
( segid "SH2 " and resid 45 and name HG2%)
2.500 1.400 1.400 peak 600 weight 0.10000E+01 volume 0.29066E-02 ppm1 1.960 ppm2 0.890 CV 1
ASSI { 2752}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 28 and name HD2 ))
2.900 1.600 1.600 peak 2752 weight 0.10000E+01 volume 0.15923E-02 ppm1 0.800 ppm2 3.140 CV 1
OR { 2752}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 28 and name HD1 ))
ASSI { 3155}
( segid "SH2 " and resid 112 and name HD1%)
( segid "SH2 " and resid 109 and name HG2%)
2.000 2.000 4.000 peak 3155 weight 0.10000E+01 volume 0.86948E-02 ppm1 0.810 ppm2 1.250 CV 1
ASSI { 943}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 112 and name HA ))
3.300 1.000 1.000 peak 943 weight 0.10000E+01 volume 0.72790E-02 ppm1 0.810 ppm2 4.380 CV 1
ASSI { 2751}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 30 and name HA1 ))
2.400 1.300 1.300 peak 2751 weight 0.10000E+01 volume 0.38418E-02 ppm1 0.800 ppm2 4.730 CV 1
ASSI { 2784}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 28 and name HB1 ))
3.400 3.400 2.600 peak 2784 weight 0.10000E+01 volume 0.22040E-02 ppm1 0.810 ppm2 1.770 CV 1
ASSI { 944}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 30 and name HA2 ))
4.500 2.100 1.500 peak 944 weight 0.10000E+01 volume 0.71783E-03 ppm1 0.810 ppm2 3.580 CV 1
ASSI { 2788}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 112 and name HN ))
4.500 1.900 1.500 peak 2788 weight 0.10000E+01 volume 0.10388E-02 ppm1 0.810 ppm2 -0.920 CV 1
ASSI { 647}
(( segid "SH2 " and resid 48 and name HA ))
(( segid "SH2 " and resid 48 and name HN ))
3.000 1.800 1.800 peak 647 weight 0.10000E+01 volume 0.11778E-02 ppm1 4.980 ppm2 8.780 CV 1
ASSI { 649}
(( segid "SH2 " and resid 48 and name HA ))
(( segid "SH2 " and resid 32 and name HA ))
2.300 1.200 1.200 peak 649 weight 0.10000E+01 volume 0.40440E-02 ppm1 4.990 ppm2 5.980 CV 1
ASSI { 2555}
(( segid "SH2 " and resid 48 and name HA ))
( segid "SH2 " and resid 24 and name HD2%)
2.500 1.300 1.300 peak 2555 weight 0.10000E+01 volume 0.33110E-02 ppm1 4.990 ppm2 0.540 CV 1
ASSI { 652}
(( segid "SH2 " and resid 48 and name HA ))
(( segid "SH2 " and resid 32 and name HB1 ))
3.200 1.900 1.900 peak 652 weight 0.10000E+01 volume 0.10287E-02 ppm1 4.990 ppm2 3.230 CV 1
ASSI { 654}
(( segid "SH2 " and resid 48 and name HA ))
(( segid "SH2 " and resid 48 and name HB ))
2.700 1.400 1.400 peak 654 weight 0.10000E+01 volume 0.27044E-02 ppm1 4.990 ppm2 1.830 CV 1
ASSI { 2105}
(( segid "SH2 " and resid 68 and name HA ))
(( segid "SH2 " and resid 68 and name HB ))
2.600 1.400 1.400 peak 2105 weight 0.10000E+01 volume 0.24315E-02 ppm1 4.430 ppm2 2.030 CV 1
ASSI { 2104}
(( segid "SH2 " and resid 68 and name HA ))
( segid "SH2 " and resid 68 and name HG2%)
2.600 1.400 1.400 peak 2104 weight 0.10000E+01 volume 0.28308E-02 ppm1 4.430 ppm2 0.920 CV 1
OR { 2104}
(( segid "SH2 " and resid 68 and name HA ))
( segid "SH2 " and resid 68 and name HG1%)
ASSI { 2100}
(( segid "SH2 " and resid 18 and name HA ))
(( segid "SH2 " and resid 18 and name HB2 ))
2.600 1.100 1.100 peak 2100 weight 0.10000E+01 volume 0.51561E-02 ppm1 3.940 ppm2 2.060 CV 1
ASSI { 2099}
(( segid "SH2 " and resid 18 and name HA ))
(( segid "SH2 " and resid 18 and name HG1 ))
2.700 1.300 1.300 peak 2099 weight 0.10000E+01 volume 0.31594E-02 ppm1 3.940 ppm2 2.410 CV 1
OR { 2099}
(( segid "SH2 " and resid 18 and name HA ))
(( segid "SH2 " and resid 18 and name HG2 ))
ASSI { 2101}
(( segid "SH2 " and resid 18 and name HA ))
(( segid "SH2 " and resid 18 and name HB1 ))
2.500 1.100 1.100 peak 2101 weight 0.10000E+01 volume 0.63439E-02 ppm1 3.940 ppm2 1.950 CV 1
ASSI { 2103}
(( segid "SH2 " and resid 18 and name HA ))
( segid "SH2 " and resid 21 and name HG2%)
2.900 2.900 3.100 peak 2103 weight 0.10000E+01 volume 0.23430E-02 ppm1 3.940 ppm2 0.980 CV 1
ASSI { 226}
(( segid "SH2 " and resid 18 and name HA ))
(( segid "SH2 " and resid 22 and name HN ))
3.000 1.500 1.500 peak 226 weight 0.10000E+01 volume 0.21964E-02 ppm1 3.950 ppm2 7.650 CV 1
ASSI { 1686}
(( segid "SH2 " and resid 105 and name HA ))
(( segid "SH2 " and resid 110 and name HA ))
3.000 1.600 1.600 peak 1686 weight 0.10000E+01 volume 0.18375E-02 ppm1 3.790 ppm2 4.670 CV 1
ASSI { 1580}
(( segid "SH2 " and resid 47 and name HA ))
( segid "SH2 " and resid 45 and name HG1%)
3.800 1.900 1.900 peak 1580 weight 0.10000E+01 volume 0.10641E-02 ppm1 5.750 ppm2 1.190 CV 1
ASSI { 853}
(( segid "SH2 " and resid 105 and name HA ))
(( segid "SH2 " and resid 105 and name HB2 ))
3.100 1.400 1.400 peak 853 weight 0.10000E+01 volume 0.25780E-02 ppm1 3.790 ppm2 2.490 CV 1
ASSI { 2757}
(( segid "SH2 " and resid 105 and name HA ))
(( segid "SH2 " and resid 106 and name HN ))
2.300 1.100 1.100 peak 2757 weight 0.10000E+01 volume 0.66728E-02 ppm1 3.790 ppm2 7.890 CV 1
ASSI { 224}
(( segid "SH2 " and resid 19 and name HA ))
(( segid "SH2 " and resid 20 and name HN ))
3.200 1.600 1.600 peak 224 weight 0.10000E+01 volume 0.17794E-02 ppm1 3.950 ppm2 8.240 CV 1
ASSI { 848}
(( segid "SH2 " and resid 105 and name HA ))
(( segid "SH2 " and resid 105 and name HN ))
3.200 1.700 1.700 peak 848 weight 0.10000E+01 volume 0.14204E-02 ppm1 3.800 ppm2 8.110 CV 1
ASSI { 222}
(( segid "SH2 " and resid 19 and name HA ))
( segid "SH2 " and resid 22 and name HB% )
2.400 1.100 1.100 peak 222 weight 0.10000E+01 volume 0.64452E-02 ppm1 3.950 ppm2 1.440 CV 1
ASSI { 227}
(( segid "SH2 " and resid 19 and name HA ))
(( segid "SH2 " and resid 23 and name HN ))
3.700 2.100 2.100 peak 227 weight 0.10000E+01 volume 0.74307E-03 ppm1 3.950 ppm2 7.330 CV 1
ASSI { 3159}
(( segid "SH2 " and resid 105 and name HA ))
( segid "SH2 " and resid 105 and name HD% )
3.400 1.800 1.800 peak 3159 weight 0.10000E+01 volume 0.12739E-02 ppm1 3.800 ppm2 6.830 CV 1
ASSI { 636}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 48 and name HN ))
2.300 1.100 1.100 peak 636 weight 0.10000E+01 volume 0.55858E-02 ppm1 5.740 ppm2 8.780 CV 1
ASSI { 698}
(( segid "SH2 " and resid 58 and name HA ))
(( segid "SH2 " and resid 59 and name HN ))
2.100 1.100 1.100 peak 698 weight 0.10000E+01 volume 0.65715E-02 ppm1 4.310 ppm2 8.820 CV 1
ASSI { 702}
(( segid "SH2 " and resid 58 and name HA ))
( segid "SH2 " and resid 58 and name HG2%)
3.100 1.300 1.300 peak 702 weight 0.10000E+01 volume 0.33616E-02 ppm1 4.310 ppm2 0.980 CV 1
ASSI { 2601}
(( segid "SH2 " and resid 47 and name HA ))
( segid "SH2 " and resid 24 and name HD2%)
3.600 1.800 1.800 peak 2601 weight 0.10000E+01 volume 0.12132E-02 ppm1 5.740 ppm2 0.560 CV 1
ASSI { 638}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 56 and name HA ))
2.500 1.400 1.400 peak 638 weight 0.10000E+01 volume 0.29824E-02 ppm1 5.740 ppm2 4.930 CV 1
ASSI { 1351}
(( segid "SH2 " and resid 47 and name HA ))
( segid "SH2 " and resid 54 and name HG1%)
3.800 3.800 2.200 peak 1351 weight 0.10000E+01 volume 0.13850E-02 ppm1 5.740 ppm2 0.900 CV 1
ASSI { 1186}
(( segid "SH2 " and resid 47 and name HA ))
( segid "SH2 " and resid 54 and name HG2%)
3.400 1.700 1.700 peak 1186 weight 0.10000E+01 volume 0.13320E-02 ppm1 5.750 ppm2 0.380 CV 1
ASSI { 1196}
(( segid "SH2 " and resid 86 and name HA ))
( segid "SH2 " and resid 86 and name HG2%)
3.100 1.400 1.400 peak 1196 weight 0.10000E+01 volume 0.28561E-02 ppm1 4.830 ppm2 1.280 CV 1
ASSI { 1187}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 47 and name HB2 ))
2.900 1.600 1.600 peak 1187 weight 0.10000E+01 volume 0.16050E-02 ppm1 5.750 ppm2 3.400 CV 1
ASSI { 1184}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 47 and name HB1 ))
2.800 1.500 1.500 peak 1184 weight 0.10000E+01 volume 0.20321E-02 ppm1 5.740 ppm2 3.500 CV 1
ASSI { 1194}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 102 and name HD1 ))
3.000 1.400 1.400 peak 1194 weight 0.10000E+01 volume 0.29066E-02 ppm1 3.680 ppm2 1.890 CV 1
OR { 1194}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 102 and name HD2 ))
ASSI { 1193}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 102 and name HG2 ))
4.000 1.700 1.700 peak 1193 weight 0.10000E+01 volume 0.13269E-02 ppm1 3.680 ppm2 1.210 CV 1
OR { 1193}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 102 and name HG1 ))
ASSI { 1191}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 99 and name HB1 ))
2.300 1.000 1.000 peak 1191 weight 0.10000E+01 volume 0.87451E-02 ppm1 3.680 ppm2 1.990 CV 1
OR { 1191}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 99 and name HB2 ))
ASSI { 1192}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 102 and name HB1 ))
2.500 1.200 1.200 peak 1192 weight 0.10000E+01 volume 0.40693E-02 ppm1 3.680 ppm2 1.580 CV 1
OR { 1192}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 102 and name HB2 ))
ASSI { 814}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 99 and name HN ))
2.600 1.300 1.300 peak 814 weight 0.10000E+01 volume 0.33363E-02 ppm1 3.680 ppm2 7.780 CV 1
ASSI { 700}
(( segid "SH2 " and resid 58 and name HA ))
(( segid "SH2 " and resid 45 and name HA ))
2.800 1.500 1.500 peak 700 weight 0.10000E+01 volume 0.20927E-02 ppm1 4.330 ppm2 4.760 CV 1
ASSI { 645}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 47 and name HN ))
2.900 1.600 1.600 peak 645 weight 0.10000E+01 volume 0.17137E-02 ppm1 5.740 ppm2 -0.930 CV 1
ASSI { 704}
(( segid "SH2 " and resid 58 and name HA ))
(( segid "SH2 " and resid 46 and name HN ))
4.000 2.100 2.000 peak 704 weight 0.10000E+01 volume 0.66473E-03 ppm1 4.290 ppm2 -0.830 CV 1
ASSI { 2109}
(( segid "SH2 " and resid 35 and name HB2 ))
(( segid "SH2 " and resid 35 and name HB1 ))
2.100 1.500 1.500 peak 2109 weight 0.10000E+01 volume 0.20877E-02 ppm1 1.450 ppm2 2.410 CV 1
ASSI { 520}
(( segid "SH2 " and resid 35 and name HB2 ))
( segid "SH2 " and resid 33 and name HD2%)
4.600 1.800 1.400 peak 520 weight 0.10000E+01 volume 0.12309E-02 ppm1 1.450 ppm2 0.630 CV 1
ASSI { 514}
(( segid "SH2 " and resid 35 and name HB1 ))
(( segid "SH2 " and resid 36 and name HN ))
3.900 1.800 1.800 peak 514 weight 0.10000E+01 volume 0.12461E-02 ppm1 2.410 ppm2 9.000 CV 1
ASSI { 2118}
(( segid "SH2 " and resid 35 and name HB2 ))
(( segid "SH2 " and resid 35 and name HG1 ))
3.100 1.800 1.800 peak 2118 weight 0.10000E+01 volume 0.10944E-02 ppm1 1.460 ppm2 1.650 CV 1
OR { 2118}
(( segid "SH2 " and resid 35 and name HB2 ))
(( segid "SH2 " and resid 35 and name HG2 ))
ASSI { 519}
(( segid "SH2 " and resid 35 and name HB2 ))
(( segid "SH2 " and resid 35 and name HD2 ))
3.000 2.100 2.100 peak 519 weight 0.10000E+01 volume 0.75066E-03 ppm1 1.450 ppm2 3.540 CV 1
OR { 519}
(( segid "SH2 " and resid 35 and name HB2 ))
(( segid "SH2 " and resid 35 and name HD1 ))
ASSI { 518}
(( segid "SH2 " and resid 35 and name HB1 ))
(( segid "SH2 " and resid 35 and name HD1 ))
3.200 1.800 1.800 peak 518 weight 0.10000E+01 volume 0.12461E-02 ppm1 2.390 ppm2 3.560 CV 1
OR { 518}
(( segid "SH2 " and resid 35 and name HB1 ))
(( segid "SH2 " and resid 35 and name HD2 ))
ASSI { 2113}
(( segid "SH2 " and resid 27 and name HG1 ))
( segid "SH2 " and resid 31 and name HG2%)
2.700 1.200 1.200 peak 2113 weight 0.10000E+01 volume 0.40440E-02 ppm1 2.340 ppm2 0.930 CV 1
OR { 2113}
(( segid "SH2 " and resid 27 and name HG2 ))
( segid "SH2 " and resid 31 and name HG2%)
ASSI { 2110}
(( segid "SH2 " and resid 54 and name HB ))
(( segid "SH2 " and resid 54 and name HA ))
2.800 1.700 1.700 peak 2110 weight 0.10000E+01 volume 0.14028E-02 ppm1 1.910 ppm2 4.770 CV 1
ASSI { 764}
(( segid "SH2 " and resid 94 and name HA ))
( segid "SH2 " and resid 94 and name HD1%)
3.200 1.100 1.100 peak 764 weight 0.10000E+01 volume 0.53078E-02 ppm1 4.020 ppm2 0.580 CV 1
ASSI { 767}
(( segid "SH2 " and resid 94 and name HA ))
(( segid "SH2 " and resid 94 and name HB1 ))
2.500 1.400 1.400 peak 767 weight 0.10000E+01 volume 0.29319E-02 ppm1 4.010 ppm2 1.170 CV 1
OR { 767}
(( segid "SH2 " and resid 94 and name HA ))
(( segid "SH2 " and resid 94 and name HB2 ))
ASSI { 761}
(( segid "SH2 " and resid 94 and name HA ))
(( segid "SH2 " and resid 97 and name HN ))
3.200 1.700 1.700 peak 761 weight 0.10000E+01 volume 0.14104E-02 ppm1 4.010 ppm2 7.000 CV 1
ASSI { 763}
(( segid "SH2 " and resid 94 and name HA ))
( segid "SH2 " and resid 94 and name HD2%)
2.900 1.800 1.800 peak 763 weight 0.10000E+01 volume 0.11904E-02 ppm1 4.030 ppm2 0.370 CV 1
ASSI { 788}
(( segid "SH2 " and resid 97 and name HA ))
(( segid "SH2 " and resid 97 and name HB2 ))
2.800 1.500 1.500 peak 788 weight 0.10000E+01 volume 0.20195E-02 ppm1 1.950 ppm2 1.690 CV 1
OR { 788}
(( segid "SH2 " and resid 97 and name HA ))
(( segid "SH2 " and resid 97 and name HB1 ))
ASSI { 783}
(( segid "SH2 " and resid 97 and name HA ))
(( segid "SH2 " and resid 101 and name HN ))
3.500 1.900 1.900 peak 783 weight 0.10000E+01 volume 0.92761E-03 ppm1 1.950 ppm2 7.470 CV 1
ASSI { 2125}
(( segid "SH2 " and resid 97 and name HA ))
(( segid "SH2 " and resid 100 and name HB2 ))
3.200 1.800 1.800 peak 2125 weight 0.10000E+01 volume 0.10969E-02 ppm1 1.940 ppm2 2.900 CV 1
ASSI { 1660}
(( segid "SH2 " and resid 94 and name HA ))
(( segid "SH2 " and resid 97 and name HB2 ))
2.500 1.500 1.500 peak 1660 weight 0.10000E+01 volume 0.23000E-02 ppm1 4.020 ppm2 1.680 CV 1
OR { 1660}
(( segid "SH2 " and resid 94 and name HA ))
(( segid "SH2 " and resid 97 and name HB1 ))
ASSI { 789}
(( segid "SH2 " and resid 97 and name HA ))
( segid "SH2 " and resid 97 and name HD1%)
2.900 1.500 1.500 peak 789 weight 0.10000E+01 volume 0.22444E-02 ppm1 1.940 ppm2 0.700 CV 1
ASSI { 1621}
(( segid "SH2 " and resid 102 and name HA ))
(( segid "SH2 " and resid 111 and name HN ))
2.300 1.400 1.400 peak 1621 weight 0.10000E+01 volume 0.28561E-02 ppm1 4.550 ppm2 8.940 CV 1
ASSI { 784}
(( segid "SH2 " and resid 97 and name HA ))
(( segid "SH2 " and resid 97 and name HN ))
2.600 1.300 1.300 peak 784 weight 0.10000E+01 volume 0.36396E-02 ppm1 1.940 ppm2 6.990 CV 1
ASSI { 790}
(( segid "SH2 " and resid 97 and name HA ))
( segid "SH2 " and resid 97 and name HD2%)
2.800 1.600 1.600 peak 790 weight 0.10000E+01 volume 0.17692E-02 ppm1 1.940 ppm2 0.510 CV 1
ASSI { 2463}
(( segid "SH2 " and resid 102 and name HA ))
(( segid "SH2 " and resid 102 and name HB2 ))
2.500 1.300 1.300 peak 2463 weight 0.10000E+01 volume 0.34374E-02 ppm1 4.550 ppm2 1.630 CV 1
OR { 2463}
(( segid "SH2 " and resid 102 and name HA ))
(( segid "SH2 " and resid 102 and name HB1 ))
ASSI { 2684}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 17 and name HB1 ))
5.000 1.800 1.000 peak 2684 weight 0.10000E+01 volume 0.12284E-02 ppm1 4.380 ppm2 1.560 CV 1
ASSI { 206}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 16 and name HN ))
2.900 1.500 1.500 peak 206 weight 0.10000E+01 volume 0.21155E-02 ppm1 4.370 ppm2 8.940 CV 1
ASSI { 2685}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 17 and name HG1 ))
4.600 2.200 1.400 peak 2685 weight 0.10000E+01 volume 0.61673E-03 ppm1 4.360 ppm2 2.060 CV 1
OR { 2685}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 17 and name HG2 ))
ASSI { 2686}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 17 and name HA ))
4.300 2.200 1.700 peak 2686 weight 0.10000E+01 volume 0.63190E-03 ppm1 4.380 ppm2 3.500 CV 1
ASSI { 2127}
(( segid "SH2 " and resid 54 and name HB ))
( segid "SH2 " and resid 54 and name HG2%)
2.400 1.200 1.200 peak 2127 weight 0.10000E+01 volume 0.40693E-02 ppm1 1.920 ppm2 0.370 CV 1
ASSI { 534}
(( segid "SH2 " and resid 37 and name HA ))
(( segid "SH2 " and resid 38 and name HN ))
2.700 1.600 1.600 peak 534 weight 0.10000E+01 volume 0.15898E-02 ppm1 4.460 ppm2 1.010 CV 1
ASSI { 470}
(( segid "SH2 " and resid 34 and name HB ))
( segid "SH2 " and resid 59 and name HD1%)
4.700 2.200 1.300 peak 470 weight 0.10000E+01 volume 0.62935E-03 ppm1 2.710 ppm2 0.690 CV 1
ASSI { 977}
(( segid "SH2 " and resid 34 and name HB ))
(( segid "SH2 " and resid 10 and name HZ3 ))
3.900 1.800 1.800 peak 977 weight 0.10000E+01 volume 0.12688E-02 ppm1 2.710 ppm2 6.760 CV 1
ASSI { 975}
(( segid "SH2 " and resid 34 and name HB ))
(( segid "SH2 " and resid 10 and name HE3 ))
3.300 1.400 1.400 peak 975 weight 0.10000E+01 volume 0.25098E-02 ppm1 2.700 ppm2 7.480 CV 1
ASSI { 976}
(( segid "SH2 " and resid 34 and name HB ))
( segid "SH2 " and resid 44 and name HD% )
4.400 1.700 1.600 peak 976 weight 0.10000E+01 volume 0.13396E-02 ppm1 2.700 ppm2 7.050 CV 1
ASSI { 2129}
(( segid "SH2 " and resid 85 and name HB1 ))
(( segid "SH2 " and resid 85 and name HN ))
2.800 1.600 1.600 peak 2129 weight 0.10000E+01 volume 0.18046E-02 ppm1 1.850 ppm2 8.990 CV 1
ASSI { 2134}
(( segid "SH2 " and resid 85 and name HB1 ))
(( segid "SH2 " and resid 85 and name HD2 ))
2.900 1.700 1.700 peak 2134 weight 0.10000E+01 volume 0.15013E-02 ppm1 1.850 ppm2 3.140 CV 1
OR { 2134}
(( segid "SH2 " and resid 85 and name HB1 ))
(( segid "SH2 " and resid 85 and name HD1 ))
ASSI { 2128}
(( segid "SH2 " and resid 85 and name HB1 ))
(( segid "SH2 " and resid 85 and name HA ))
3.200 1.600 1.600 peak 2128 weight 0.10000E+01 volume 0.16201E-02 ppm1 1.860 ppm2 5.330 CV 1
ASSI { 2136}
(( segid "SH2 " and resid 85 and name HB2 ))
(( segid "SH2 " and resid 60 and name HB2 ))
4.700 2.200 1.300 peak 2136 weight 0.10000E+01 volume 0.61163E-03 ppm1 1.650 ppm2 2.870 CV 1
ASSI { 2150}
(( segid "SH2 " and resid 12 and name HA ))
(( segid "SH2 " and resid 12 and name HB2 ))
3.000 1.400 1.400 peak 2150 weight 0.10000E+01 volume 0.26033E-02 ppm1 4.200 ppm2 2.620 CV 1
ASSI { 340}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 25 and name HB2 ))
2.500 1.200 1.200 peak 340 weight 0.10000E+01 volume 0.47264E-02 ppm1 3.890 ppm2 2.140 CV 1
OR { 340}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 25 and name HB1 ))
ASSI { 2153}
(( segid "SH2 " and resid 12 and name HA ))
(( segid "SH2 " and resid 12 and name HB1 ))
2.500 1.300 1.300 peak 2153 weight 0.10000E+01 volume 0.34121E-02 ppm1 4.210 ppm2 3.610 CV 1
ASSI { 2157}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 26 and name HN ))
2.200 1.000 1.000 peak 2157 weight 0.10000E+01 volume 0.69252E-02 ppm1 3.890 ppm2 8.950 CV 1
ASSI { 2633}
(( segid "SH2 " and resid 25 and name HA ))
( segid "SH2 " and resid 54 and name HG1%)
2.800 2.800 3.200 peak 2633 weight 0.10000E+01 volume 0.43726E-02 ppm1 3.890 ppm2 0.940 CV 1
ASSI { 339}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 25 and name HG1 ))
3.200 1.700 1.700 peak 339 weight 0.10000E+01 volume 0.14710E-02 ppm1 3.890 ppm2 2.370 CV 1
OR { 339}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 25 and name HG2 ))
ASSI { 338}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 25 and name HE21))
3.200 2.000 2.000 peak 338 weight 0.10000E+01 volume 0.86693E-03 ppm1 3.880 ppm2 7.360 CV 1
ASSI { 2154}
(( segid "SH2 " and resid 12 and name HA ))
(( segid "SH2 " and resid 12 and name HD1 ))
3.400 1.900 1.900 peak 2154 weight 0.10000E+01 volume 0.10515E-02 ppm1 4.210 ppm2 7.450 CV 1
ASSI { 2152}
(( segid "SH2 " and resid 12 and name HA ))
(( segid "SH2 " and resid 13 and name HN ))
2.900 1.700 1.700 peak 2152 weight 0.10000E+01 volume 0.15190E-02 ppm1 4.210 ppm2 5.280 CV 1
ASSI { 2155}
(( segid "SH2 " and resid 12 and name HA ))
(( segid "SH2 " and resid 12 and name HE3 ))
3.500 1.900 1.900 peak 2155 weight 0.10000E+01 volume 0.10363E-02 ppm1 4.210 ppm2 7.600 CV 1
ASSI { 792}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 101 and name HN ))
3.400 2.100 2.100 peak 792 weight 0.10000E+01 volume 0.69507E-03 ppm1 3.390 ppm2 7.410 CV 1
ASSI { 795}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 98 and name HB1 ))
2.500 1.500 1.500 peak 795 weight 0.10000E+01 volume 0.20852E-02 ppm1 3.370 ppm2 1.470 CV 1
ASSI { 796}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 98 and name HB2 ))
2.800 1.300 1.300 peak 796 weight 0.10000E+01 volume 0.31088E-02 ppm1 3.370 ppm2 0.690 CV 1
ASSI { 791}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 98 and name HN ))
2.700 1.500 1.500 peak 791 weight 0.10000E+01 volume 0.20574E-02 ppm1 3.370 ppm2 7.830 CV 1
ASSI { 3165}
(( segid "SH2 " and resid 85 and name HB2 ))
(( segid "SH2 " and resid 85 and name HA ))
2.600 1.500 1.500 peak 3165 weight 0.10000E+01 volume 0.19892E-02 ppm1 1.650 ppm2 5.320 CV 1
ASSI { 2144}
(( segid "SH2 " and resid 85 and name HB2 ))
(( segid "SH2 " and resid 85 and name HD2 ))
3.300 1.600 1.600 peak 2144 weight 0.10000E+01 volume 0.18173E-02 ppm1 1.650 ppm2 3.110 CV 1
OR { 2144}
(( segid "SH2 " and resid 85 and name HB2 ))
(( segid "SH2 " and resid 85 and name HD1 ))
ASSI { 2151}
(( segid "SH2 " and resid 12 and name HA ))
(( segid "SH2 " and resid 12 and name HN ))
2.900 1.600 1.600 peak 2151 weight 0.10000E+01 volume 0.18476E-02 ppm1 4.210 ppm2 -0.680 CV 1
ASSI { 3164}
(( segid "SH2 " and resid 85 and name HB2 ))
(( segid "SH2 " and resid 90 and name HA ))
3.400 3.400 2.600 peak 3164 weight 0.10000E+01 volume 0.32099E-02 ppm1 1.650 ppm2 5.170 CV 1
ASSI { 3162}
(( segid "SH2 " and resid 90 and name HB2 ))
(( segid "SH2 " and resid 89 and name HA ))
4.200 1.800 1.800 peak 3162 weight 0.10000E+01 volume 0.11348E-02 ppm1 1.640 ppm2 4.170 CV 1
ASSI { 2176}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 98 and name HG ))
2.900 1.500 1.500 peak 2176 weight 0.10000E+01 volume 0.19916E-02 ppm1 3.370 ppm2 1.210 CV 1
ASSI { 101}
(( segid "SH2 " and resid 50 and name HA ))
(( segid "SH2 " and resid 51 and name HN ))
2.700 1.300 1.300 peak 101 weight 0.10000E+01 volume 0.34374E-02 ppm1 4.170 ppm2 8.950 CV 1
ASSI { 684}
(( segid "SH2 " and resid 50 and name HA ))
(( segid "SH2 " and resid 29 and name HD2 ))
3.000 1.600 1.600 peak 684 weight 0.10000E+01 volume 0.17541E-02 ppm1 4.170 ppm2 7.050 CV 1
ASSI { 3191}
(( segid "SH2 " and resid 50 and name HA ))
( segid "SH2 " and resid 109 and name HG2%)
3.000 1.600 1.600 peak 3191 weight 0.10000E+01 volume 0.18425E-02 ppm1 4.170 ppm2 1.220 CV 1
ASSI { 3192}
(( segid "SH2 " and resid 50 and name HA ))
( segid "SH2 " and resid 48 and name HG1%)
3.800 2.000 2.000 peak 3192 weight 0.10000E+01 volume 0.86693E-03 ppm1 4.170 ppm2 0.920 CV 1
OR { 3192}
(( segid "SH2 " and resid 50 and name HA ))
( segid "SH2 " and resid 48 and name HG2%)
ASSI { 3189}
(( segid "SH2 " and resid 50 and name HA ))
(( segid "SH2 " and resid 50 and name HB2 ))
2.400 1.000 1.000 peak 3189 weight 0.10000E+01 volume 0.79617E-02 ppm1 4.180 ppm2 1.980 CV 1
ASSI { 300}
(( segid "SH2 " and resid 23 and name HA ))
( segid "SH2 " and resid 23 and name HD1%)
4.200 1.600 1.600 peak 300 weight 0.10000E+01 volume 0.16581E-02 ppm1 4.020 ppm2 0.000 CV 1
ASSI { 301}
(( segid "SH2 " and resid 23 and name HA ))
( segid "SH2 " and resid 23 and name HD2%)
2.300 0.900 0.900 peak 301 weight 0.10000E+01 volume 0.97058E-02 ppm1 4.020 ppm2 0.670 CV 1
ASSI { 1597}
(( segid "SH2 " and resid 10 and name HD1 ))
(( segid "SH2 " and resid 10 and name HA ))
4.500 2.000 1.500 peak 1597 weight 0.10000E+01 volume 0.78859E-03 ppm1 7.370 ppm2 5.070 CV 1
ASSI { 2629}
(( segid "SH2 " and resid 10 and name HD1 ))
(( segid "SH2 " and resid 114 and name HB1 ))
3.800 1.700 1.700 peak 2629 weight 0.10000E+01 volume 0.13977E-02 ppm1 7.360 ppm2 1.830 CV 1
OR { 2629}
(( segid "SH2 " and resid 10 and name HD1 ))
(( segid "SH2 " and resid 114 and name HB2 ))
ASSI { 2556}
(( segid "SH2 " and resid 10 and name HD1 ))
(( segid "SH2 " and resid 10 and name HB2 ))
3.700 1.600 1.600 peak 2556 weight 0.10000E+01 volume 0.17187E-02 ppm1 7.370 ppm2 3.010 CV 1
ASSI { 2505}
(( segid "SH2 " and resid 10 and name HD1 ))
( segid "SH2 " and resid 98 and name HD1%)
3.700 2.100 2.100 peak 2505 weight 0.10000E+01 volume 0.75570E-03 ppm1 7.370 ppm2 -0.450 CV 1
ASSI { 155}
(( segid "SH2 " and resid 14 and name HA ))
(( segid "SH2 " and resid 36 and name HB1 ))
3.200 1.500 1.500 peak 155 weight 0.10000E+01 volume 0.19209E-02 ppm1 4.300 ppm2 2.770 CV 1
ASSI { 559}
(( segid "SH2 " and resid 44 and name HA ))
(( segid "SH2 " and resid 44 and name HB2 ))
3.200 1.700 1.700 peak 559 weight 0.10000E+01 volume 0.13472E-02 ppm1 5.370 ppm2 2.660 CV 1
ASSI { 558}
(( segid "SH2 " and resid 44 and name HA ))
(( segid "SH2 " and resid 44 and name HB1 ))
2.700 1.500 1.500 peak 558 weight 0.10000E+01 volume 0.20245E-02 ppm1 5.380 ppm2 3.160 CV 1
ASSI { 1611}
(( segid "SH2 " and resid 44 and name HA ))
( segid "SH2 " and resid 45 and name HG2%)
3.300 2.000 2.000 peak 1611 weight 0.10000E+01 volume 0.89223E-03 ppm1 5.380 ppm2 0.870 CV 1
ASSI { 1401}
(( segid "SH2 " and resid 14 and name HA ))
(( segid "SH2 " and resid 15 and name HB1 ))
3.300 3.300 2.700 peak 1401 weight 0.10000E+01 volume 0.37912E-02 ppm1 4.300 ppm2 1.740 CV 1
ASSI { 557}
(( segid "SH2 " and resid 44 and name HA ))
( segid "SH2 " and resid 44 and name HD% )
2.800 1.500 1.500 peak 557 weight 0.10000E+01 volume 0.21560E-02 ppm1 5.380 ppm2 7.040 CV 1
ASSI { 298}
(( segid "SH2 " and resid 28 and name HA ))
(( segid "SH2 " and resid 28 and name HN ))
2.700 1.300 1.300 peak 298 weight 0.10000E+01 volume 0.31341E-02 ppm1 3.950 ppm2 8.860 CV 1
ASSI { 66}
(( segid "SH2 " and resid 11 and name HA ))
(( segid "SH2 " and resid 34 and name HB ))
3.900 1.600 1.600 peak 66 weight 0.10000E+01 volume 0.15746E-02 ppm1 5.670 ppm2 2.680 CV 1
ASSI { 1803}
(( segid "SH2 " and resid 68 and name HB ))
( segid "SH2 " and resid 68 and name HG1%)
2.300 1.000 1.000 peak 1803 weight 0.10000E+01 volume 0.69507E-02 ppm1 2.040 ppm2 0.890 CV 1
OR { 1803}
(( segid "SH2 " and resid 68 and name HB ))
( segid "SH2 " and resid 68 and name HG2%)
ASSI { 1362}
( segid "SH2 " and resid 100 and name HD% )
( segid "SH2 " and resid 100 and name HE% )
2.500 1.200 1.200 peak 1362 weight 0.10000E+01 volume 0.43726E-02 ppm1 5.710 ppm2 6.880 CV 1
ASSI { 1005}
( segid "SH2 " and resid 100 and name HD% )
(( segid "SH2 " and resid 100 and name HB2 ))
3.500 1.900 1.900 peak 1005 weight 0.10000E+01 volume 0.91244E-03 ppm1 5.710 ppm2 2.900 CV 1
ASSI { 1006}
(( segid "SH2 " and resid 11 and name HA ))
(( segid "SH2 " and resid 11 and name HB1 ))
3.100 1.500 1.500 peak 1006 weight 0.10000E+01 volume 0.23076E-02 ppm1 5.670 ppm2 2.450 CV 1
ASSI { 861}
(( segid "SH2 " and resid 106 and name HA ))
(( segid "PEP " and resid 224 and name HB1 ))
3.400 1.400 1.400 peak 861 weight 0.10000E+01 volume 0.29319E-02 ppm1 4.100 ppm2 2.300 CV 1
OR { 861}
(( segid "SH2 " and resid 106 and name HA ))
(( segid "PEP " and resid 224 and name HB2 ))
ASSI { 1003}
(( segid "SH2 " and resid 11 and name HA ))
(( segid "SH2 " and resid 10 and name HE3 ))
2.600 1.500 1.500 peak 1003 weight 0.10000E+01 volume 0.20751E-02 ppm1 5.670 ppm2 7.460 CV 1
ASSI { 864}
(( segid "SH2 " and resid 106 and name HA ))
(( segid "SH2 " and resid 106 and name HB2 ))
2.800 1.400 1.400 peak 864 weight 0.10000E+01 volume 0.25780E-02 ppm1 4.110 ppm2 1.240 CV 1
ASSI { 858}
(( segid "SH2 " and resid 106 and name HA ))
(( segid "SH2 " and resid 107 and name HN ))
3.700 1.900 1.900 peak 858 weight 0.10000E+01 volume 0.10540E-02 ppm1 4.120 ppm2 8.470 CV 1
ASSI { 899}
(( segid "SH2 " and resid 107 and name HA ))
(( segid "SH2 " and resid 107 and name HN ))
2.800 1.400 1.400 peak 899 weight 0.10000E+01 volume 0.25528E-02 ppm1 5.090 ppm2 8.460 CV 1
ASSI { 902}
(( segid "SH2 " and resid 107 and name HA ))
(( segid "SH2 " and resid 107 and name HB2 ))
2.900 1.400 1.400 peak 902 weight 0.10000E+01 volume 0.24845E-02 ppm1 5.090 ppm2 2.790 CV 1
ASSI { 901}
(( segid "SH2 " and resid 107 and name HA ))
(( segid "SH2 " and resid 107 and name HB1 ))
2.700 1.300 1.300 peak 901 weight 0.10000E+01 volume 0.36901E-02 ppm1 5.090 ppm2 2.920 CV 1
ASSI { 3295}
(( segid "SH2 " and resid 56 and name HB1 ))
(( segid "SH2 " and resid 56 and name HD2 ))
3.100 1.800 1.800 peak 3295 weight 0.10000E+01 volume 0.10969E-02 ppm1 3.060 ppm2 7.060 CV 1
ASSI { 1008}
(( segid "SH2 " and resid 11 and name HA ))
(( segid "SH2 " and resid 12 and name HN ))
2.200 1.200 1.200 peak 1008 weight 0.10000E+01 volume 0.50550E-02 ppm1 5.680 ppm2 -0.670 CV 1
ASSI { 1337}
(( segid "SH2 " and resid 56 and name HB2 ))
(( segid "SH2 " and resid 56 and name HA ))
3.100 1.900 1.900 peak 1337 weight 0.10000E+01 volume 0.10540E-02 ppm1 2.730 ppm2 4.920 CV 1
ASSI { 1338}
(( segid "SH2 " and resid 56 and name HB2 ))
( segid "SH2 " and resid 45 and name HG1%)
2.600 1.600 1.600 peak 1338 weight 0.10000E+01 volume 0.16681E-02 ppm1 2.720 ppm2 1.190 CV 1
ASSI { 1336}
(( segid "SH2 " and resid 56 and name HB1 ))
(( segid "SH2 " and resid 56 and name HA ))
2.900 1.900 1.900 peak 1336 weight 0.10000E+01 volume 0.10262E-02 ppm1 3.050 ppm2 4.920 CV 1
ASSI { 3171}
(( segid "SH2 " and resid 56 and name HB2 ))
(( segid "SH2 " and resid 56 and name HD2 ))
3.700 1.700 1.700 peak 3171 weight 0.10000E+01 volume 0.13648E-02 ppm1 2.720 ppm2 7.060 CV 1
ASSI { 2194}
(( segid "SH2 " and resid 115 and name HB ))
( segid "SH2 " and resid 115 and name HG1%)
2.100 0.900 0.900 peak 2194 weight 0.10000E+01 volume 0.97307E-02 ppm1 1.660 ppm2 0.930 CV 1
ASSI { 2195}
(( segid "SH2 " and resid 115 and name HB ))
( segid "SH2 " and resid 115 and name HG2%)
2.300 1.200 1.200 peak 2195 weight 0.10000E+01 volume 0.47264E-02 ppm1 1.660 ppm2 0.820 CV 1
ASSI { 2188}
(( segid "SH2 " and resid 83 and name HB2 ))
(( segid "SH2 " and resid 83 and name HN ))
2.400 1.100 1.100 peak 2188 weight 0.10000E+01 volume 0.58639E-02 ppm1 1.660 ppm2 8.250 CV 1
OR { 2188}
(( segid "SH2 " and resid 83 and name HB1 ))
(( segid "SH2 " and resid 83 and name HN ))
ASSI { 2187}
(( segid "SH2 " and resid 83 and name HB1 ))
(( segid "SH2 " and resid 84 and name HN ))
3.500 1.800 1.800 peak 2187 weight 0.10000E+01 volume 0.12006E-02 ppm1 1.660 ppm2 8.700 CV 1
OR { 2187}
(( segid "SH2 " and resid 83 and name HB2 ))
(( segid "SH2 " and resid 84 and name HN ))
ASSI { 2191}
(( segid "SH2 " and resid 83 and name HB1 ))
(( segid "SH2 " and resid 83 and name HA ))
2.900 1.500 1.500 peak 2191 weight 0.10000E+01 volume 0.22520E-02 ppm1 1.680 ppm2 4.570 CV 1
OR { 2191}
(( segid "SH2 " and resid 83 and name HB2 ))
(( segid "SH2 " and resid 83 and name HA ))
ASSI { 2193}
(( segid "SH2 " and resid 83 and name HB1 ))
(( segid "SH2 " and resid 83 and name HD1 ))
3.000 1.500 1.500 peak 2193 weight 0.10000E+01 volume 0.22116E-02 ppm1 1.670 ppm2 3.080 CV 1
OR { 2193}
(( segid "SH2 " and resid 83 and name HB2 ))
(( segid "SH2 " and resid 83 and name HD2 ))
OR { 2193}
(( segid "SH2 " and resid 83 and name HB2 ))
(( segid "SH2 " and resid 83 and name HD1 ))
OR { 2193}
(( segid "SH2 " and resid 83 and name HB1 ))
(( segid "SH2 " and resid 83 and name HD2 ))
ASSI { 3355}
(( segid "SH2 " and resid 32 and name HA ))
( segid "SH2 " and resid 111 and name HD1%)
5.000 2.000 1.000 peak 3355 weight 0.10000E+01 volume 0.79362E-03 ppm1 5.970 ppm2 0.260 CV 1
ASSI { 3354}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 33 and name HG ))
3.800 2.100 2.100 peak 3354 weight 0.10000E+01 volume 0.69003E-03 ppm1 5.980 ppm2 1.630 CV 1
ASSI { 415}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 32 and name HB2 ))
2.500 1.400 1.400 peak 415 weight 0.10000E+01 volume 0.28055E-02 ppm1 5.980 ppm2 2.660 CV 1
ASSI { 418}
(( segid "SH2 " and resid 32 and name HA ))
( segid "SH2 " and resid 48 and name HG1%)
3.300 1.400 1.400 peak 418 weight 0.10000E+01 volume 0.24163E-02 ppm1 5.970 ppm2 0.900 CV 1
ASSI { 414}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 32 and name HB1 ))
2.500 1.300 1.300 peak 414 weight 0.10000E+01 volume 0.30835E-02 ppm1 5.980 ppm2 3.240 CV 1
ASSI { 410}
(( segid "SH2 " and resid 32 and name HA ))
( segid "SH2 " and resid 32 and name HD% )
4.000 2.000 2.000 peak 410 weight 0.10000E+01 volume 0.86693E-03 ppm1 5.970 ppm2 6.730 CV 1
ASSI { 407}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 49 and name HN ))
3.600 1.800 1.800 peak 407 weight 0.10000E+01 volume 0.12890E-02 ppm1 5.970 ppm2 8.620 CV 1
ASSI { 408}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 32 and name HN ))
3.000 1.800 1.800 peak 408 weight 0.10000E+01 volume 0.11526E-02 ppm1 5.970 ppm2 7.870 CV 1
ASSI { 3356}
(( segid "SH2 " and resid 32 and name HA ))
( segid "SH2 " and resid 24 and name HD2%)
2.400 1.200 1.200 peak 3356 weight 0.10000E+01 volume 0.43726E-02 ppm1 5.970 ppm2 0.540 CV 1
ASSI { 409}
(( segid "SH2 " and resid 32 and name HA ))
( segid "SH2 " and resid 32 and name HE% )
4.500 2.100 1.500 peak 409 weight 0.10000E+01 volume 0.75824E-03 ppm1 5.960 ppm2 7.620 CV 1
ASSI { 411}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 31 and name HA ))
4.200 2.200 1.800 peak 411 weight 0.10000E+01 volume 0.61673E-03 ppm1 5.990 ppm2 5.290 CV 1
ASSI { 421}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 33 and name HN ))
2.400 1.200 1.200 peak 421 weight 0.10000E+01 volume 0.44990E-02 ppm1 5.970 ppm2 -0.670 CV 1
ASSI { 1199}
(( segid "SH2 " and resid 29 and name HA ))
(( segid "SH2 " and resid 29 and name HN ))
2.400 1.300 1.300 peak 1199 weight 0.10000E+01 volume 0.32857E-02 ppm1 4.600 ppm2 8.170 CV 1
ASSI { 1214}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 27 and name HE21))
4.400 2.100 1.600 peak 1214 weight 0.10000E+01 volume 0.69252E-03 ppm1 4.160 ppm2 7.550 CV 1
ASSI { 1204}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 24 and name HB2 ))
2.900 1.600 1.600 peak 1204 weight 0.10000E+01 volume 0.16581E-02 ppm1 4.170 ppm2 1.480 CV 1
ASSI { 1211}
(( segid "SH2 " and resid 117 and name HA ))
(( segid "SH2 " and resid 117 and name HN ))
3.500 2.000 2.000 peak 1211 weight 0.10000E+01 volume 0.88714E-03 ppm1 4.370 ppm2 8.100 CV 1
ASSI { 1230}
(( segid "SH2 " and resid 53 and name HB1 ))
(( segid "SH2 " and resid 53 and name HA ))
2.600 1.400 1.400 peak 1230 weight 0.10000E+01 volume 0.29824E-02 ppm1 2.020 ppm2 5.170 CV 1
OR { 1230}
(( segid "SH2 " and resid 53 and name HB2 ))
(( segid "SH2 " and resid 53 and name HA ))
ASSI { 1231}
(( segid "SH2 " and resid 53 and name HB2 ))
(( segid "SH2 " and resid 53 and name HD1 ))
3.000 1.700 1.700 peak 1231 weight 0.10000E+01 volume 0.15064E-02 ppm1 2.030 ppm2 3.200 CV 1
OR { 1231}
(( segid "SH2 " and resid 53 and name HB2 ))
(( segid "SH2 " and resid 53 and name HD2 ))
OR { 1231}
(( segid "SH2 " and resid 53 and name HB1 ))
(( segid "SH2 " and resid 53 and name HD1 ))
ASSI { 1239}
(( segid "SH2 " and resid 21 and name HB ))
( segid "SH2 " and resid 21 and name HG2%)
2.300 1.000 1.000 peak 1239 weight 0.10000E+01 volume 0.72541E-02 ppm1 2.200 ppm2 0.970 CV 1
ASSI { 1221}
(( segid "SH2 " and resid 21 and name HB ))
(( segid "SH2 " and resid 22 and name HN ))
2.600 1.400 1.400 peak 1221 weight 0.10000E+01 volume 0.27802E-02 ppm1 2.200 ppm2 7.640 CV 1
ASSI { 2408}
(( segid "SH2 " and resid 14 and name HD1 ))
(( segid "SH2 " and resid 15 and name HN ))
3.600 2.900 2.400 peak 2408 weight 0.10000E+01 volume 0.24755E-03 ppm1 3.260 ppm2 7.720 CV 1
OR { 2408}
(( segid "SH2 " and resid 14 and name HD2 ))
(( segid "SH2 " and resid 15 and name HN ))
ASSI { 1301}
( segid "SH2 " and resid 15 and name HD2%)
(( segid "SH2 " and resid 15 and name HN ))
4.600 2.000 1.400 peak 1301 weight 0.10000E+01 volume 0.84423E-03 ppm1 0.500 ppm2 7.720 CV 1
ASSI { 1288}
(( segid "SH2 " and resid 14 and name HN ))
(( segid "SH2 " and resid 15 and name HN ))
3.200 2.100 2.100 peak 1288 weight 0.10000E+01 volume 0.75106E-03 ppm1 8.540 ppm2 7.720 CV 1
ASSI { 1300}
( segid "SH2 " and resid 15 and name HD1%)
(( segid "SH2 " and resid 15 and name HN ))
4.300 1.900 1.700 peak 1300 weight 0.10000E+01 volume 0.97641E-03 ppm1 1.020 ppm2 7.720 CV 1
ASSI { 1292}
(( segid "SH2 " and resid 14 and name HA ))
(( segid "SH2 " and resid 15 and name HN ))
2.400 1.000 1.000 peak 1292 weight 0.10000E+01 volume 0.76911E-02 ppm1 4.300 ppm2 7.720 CV 1
ASSI { 1299}
(( segid "SH2 " and resid 15 and name HB2 ))
(( segid "SH2 " and resid 15 and name HN ))
2.300 1.200 1.200 peak 1299 weight 0.10000E+01 volume 0.45966E-02 ppm1 1.540 ppm2 7.720 CV 1
ASSI { 3978}
(( segid "SH2 " and resid 36 and name HB2 ))
(( segid "SH2 " and resid 15 and name HN ))
3.500 1.700 1.700 peak 3978 weight 0.10000E+01 volume 0.15262E-02 ppm1 2.390 ppm2 7.720 CV 1
ASSI { 2409}
(( segid "SH2 " and resid 36 and name HB1 ))
(( segid "SH2 " and resid 15 and name HN ))
4.400 2.300 1.600 peak 2409 weight 0.10000E+01 volume 0.51373E-03 ppm1 2.780 ppm2 7.720 CV 1
ASSI { 1298}
(( segid "SH2 " and resid 15 and name HB1 ))
(( segid "SH2 " and resid 15 and name HN ))
2.800 1.600 1.600 peak 1298 weight 0.10000E+01 volume 0.16824E-02 ppm1 1.740 ppm2 7.720 CV 1
ASSI { 3472}
(( segid "SH2 " and resid 14 and name HG2 ))
(( segid "SH2 " and resid 15 and name HN ))
4.100 2.000 1.900 peak 3472 weight 0.10000E+01 volume 0.88329E-03 ppm1 1.930 ppm2 7.720 CV 1
OR { 3472}
(( segid "SH2 " and resid 14 and name HG1 ))
(( segid "SH2 " and resid 15 and name HN ))
ASSI { 2406}
(( segid "SH2 " and resid 35 and name HA ))
(( segid "SH2 " and resid 15 and name HN ))
4.400 2.500 1.600 peak 2406 weight 0.10000E+01 volume 0.41760E-03 ppm1 5.370 ppm2 7.720 CV 1
ASSI { 2413}
(( segid "SH2 " and resid 36 and name HN ))
(( segid "SH2 " and resid 15 and name HN ))
3.300 1.900 1.900 peak 2413 weight 0.10000E+01 volume 0.10065E-02 ppm1 9.020 ppm2 7.720 CV 1
ASSI { 2412}
(( segid "SH2 " and resid 16 and name HN ))
(( segid "SH2 " and resid 15 and name HN ))
4.000 1.900 1.900 peak 2412 weight 0.10000E+01 volume 0.10065E-02 ppm1 8.930 ppm2 7.720 CV 1
ASSI { 1270}
(( segid "SH2 " and resid 34 and name HA ))
(( segid "SH2 " and resid 46 and name HN ))
4.600 2.900 1.400 peak 1270 weight 0.10000E+01 volume 0.25056E-03 ppm1 5.830 ppm2 9.190 CV 1
ASSI { 1267}
(( segid "SH2 " and resid 59 and name HN ))
(( segid "SH2 " and resid 46 and name HN ))
4.500 2.500 1.500 peak 1267 weight 0.10000E+01 volume 0.41159E-03 ppm1 8.820 ppm2 9.190 CV 1
ASSI { 1271}
(( segid "SH2 " and resid 46 and name HA ))
(( segid "SH2 " and resid 46 and name HN ))
3.000 1.900 1.900 peak 1271 weight 0.10000E+01 volume 0.10815E-02 ppm1 5.160 ppm2 9.190 CV 1
ASSI { 1266}
(( segid "SH2 " and resid 57 and name HN ))
(( segid "SH2 " and resid 46 and name HN ))
2.900 1.800 1.800 peak 1266 weight 0.10000E+01 volume 0.11717E-02 ppm1 9.350 ppm2 9.190 CV 1
ASSI { 1274}
(( segid "SH2 " and resid 57 and name HB1 ))
(( segid "SH2 " and resid 46 and name HN ))
4.000 2.000 2.000 peak 1274 weight 0.10000E+01 volume 0.88629E-03 ppm1 2.970 ppm2 9.190 CV 1
ASSI { 1275}
(( segid "SH2 " and resid 57 and name HB2 ))
(( segid "SH2 " and resid 46 and name HN ))
3.200 2.100 2.100 peak 1275 weight 0.10000E+01 volume 0.72705E-03 ppm1 2.820 ppm2 9.190 CV 1
ASSI { 1281}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 46 and name HN ))
2.800 1.600 1.600 peak 1281 weight 0.10000E+01 volume 0.15983E-02 ppm1 0.730 ppm2 9.190 CV 1
ASSI { 1272}
(( segid "SH2 " and resid 45 and name HA ))
(( segid "SH2 " and resid 46 and name HN ))
2.100 1.100 1.100 peak 1272 weight 0.10000E+01 volume 0.58582E-02 ppm1 4.770 ppm2 9.190 CV 1
ASSI { 1269}
( segid "SH2 " and resid 57 and name HD% )
(( segid "SH2 " and resid 46 and name HN ))
4.600 2.500 1.400 peak 1269 weight 0.10000E+01 volume 0.43262E-03 ppm1 6.720 ppm2 9.190 CV 1
ASSI { 1282}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 46 and name HN ))
3.400 2.000 2.000 peak 1282 weight 0.10000E+01 volume 0.88023E-03 ppm1 0.390 ppm2 9.190 CV 1
ASSI { 1279}
(( segid "SH2 " and resid 46 and name HB2 ))
(( segid "SH2 " and resid 46 and name HN ))
2.000 1.200 1.200 peak 1279 weight 0.10000E+01 volume 0.42661E-02 ppm1 1.200 ppm2 9.190 CV 1
ASSI { 1278}
(( segid "SH2 " and resid 46 and name HB1 ))
(( segid "SH2 " and resid 46 and name HN ))
3.900 2.000 2.000 peak 1278 weight 0.10000E+01 volume 0.85023E-03 ppm1 1.350 ppm2 9.190 CV 1
ASSI { 1283}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 46 and name HN ))
4.900 2.300 1.100 peak 1283 weight 0.10000E+01 volume 0.57382E-03 ppm1 0.590 ppm2 9.190 CV 1
ASSI { 4382}
(( segid "SH2 " and resid 108 and name HN ))
(( segid "SH2 " and resid 50 and name HB2 ))
4.100 2.300 1.900 peak 4382 weight 0.10000E+01 volume 0.55880E-03 ppm1 8.480 ppm2 1.980 CV 1
ASSI { 4384}
(( segid "SH2 " and resid 108 and name HN ))
(( segid "SH2 " and resid 106 and name HB1 ))
4.500 2.300 1.500 peak 4384 weight 0.10000E+01 volume 0.50773E-03 ppm1 8.470 ppm2 1.680 CV 1
ASSI { 4381}
(( segid "SH2 " and resid 108 and name HN ))
(( segid "SH2 " and resid 50 and name HB1 ))
3.800 2.200 2.200 peak 4381 weight 0.10000E+01 volume 0.65494E-03 ppm1 8.480 ppm2 2.100 CV 1
ASSI { 1256}
(( segid "SH2 " and resid 107 and name HB2 ))
(( segid "SH2 " and resid 108 and name HN ))
2.700 1.300 1.300 peak 1256 weight 0.10000E+01 volume 0.35150E-02 ppm1 2.790 ppm2 8.480 CV 1
ASSI { 1260}
(( segid "SH2 " and resid 107 and name HA ))
(( segid "SH2 " and resid 108 and name HN ))
3.300 1.800 1.800 peak 1260 weight 0.10000E+01 volume 0.11266E-02 ppm1 5.110 ppm2 8.480 CV 1
ASSI { 1257}
(( segid "SH2 " and resid 107 and name HB1 ))
(( segid "SH2 " and resid 108 and name HN ))
3.000 1.400 1.400 peak 1257 weight 0.10000E+01 volume 0.25687E-02 ppm1 2.920 ppm2 8.480 CV 1
ASSI { 2764}
(( segid "SH2 " and resid 35 and name HH21))
(( segid "SH2 " and resid 35 and name HE ))
3.700 3.000 2.300 peak 2764 weight 0.10000E+01 volume 0.22532E-03 ppm1 9.600 ppm2 6.430 CV 1
ASSI { 1251}
(( segid "SH2 " and resid 35 and name HH12))
(( segid "SH2 " and resid 35 and name HE ))
4.400 2.300 1.600 peak 1251 weight 0.10000E+01 volume 0.50472E-03 ppm1 5.820 ppm2 6.430 CV 1
ASSI { 2761}
(( segid "SH2 " and resid 35 and name HB2 ))
(( segid "SH2 " and resid 35 and name HE ))
4.500 2.100 1.500 peak 2761 weight 0.10000E+01 volume 0.76011E-03 ppm1 1.420 ppm2 6.430 CV 1
ASSI { 2890}
(( segid "SH2 " and resid 12 and name HN ))
( segid "SH2 " and resid 115 and name HG2%)
5.900 3.400 0.100 peak 2890 weight 0.10000E+01 volume 0.15292E-03 ppm1 9.330 ppm2 0.820 CV 1
ASSI { 3999}
(( segid "SH2 " and resid 12 and name HN ))
( segid "SH2 " and resid 15 and name HD1%)
5.900 3.000 0.100 peak 3999 weight 0.10000E+01 volume 0.23884E-03 ppm1 9.340 ppm2 1.030 CV 1
ASSI { 3995}
(( segid "SH2 " and resid 12 and name HN ))
( segid "SH2 " and resid 34 and name HG1%)
4.100 2.800 1.900 peak 3995 weight 0.10000E+01 volume 0.27309E-03 ppm1 9.340 ppm2 1.200 CV 1
ASSI { 1233}
(( segid "SH2 " and resid 12 and name HB2 ))
(( segid "SH2 " and resid 12 and name HN ))
2.600 1.500 1.500 peak 1233 weight 0.10000E+01 volume 0.19558E-02 ppm1 2.630 ppm2 9.340 CV 1
ASSI { 1238}
(( segid "SH2 " and resid 13 and name HN ))
(( segid "SH2 " and resid 12 and name HN ))
3.500 1.500 1.500 peak 1238 weight 0.10000E+01 volume 0.20249E-02 ppm1 5.290 ppm2 9.340 CV 1
ASSI { 4001}
(( segid "SH2 " and resid 12 and name HN ))
( segid "SH2 " and resid 33 and name HD2%)
4.800 2.300 1.200 peak 4001 weight 0.10000E+01 volume 0.50773E-03 ppm1 9.330 ppm2 0.630 CV 1
ASSI { 1235}
(( segid "SH2 " and resid 12 and name HB1 ))
(( segid "SH2 " and resid 12 and name HN ))
3.800 1.700 1.700 peak 1235 weight 0.10000E+01 volume 0.14811E-02 ppm1 3.620 ppm2 9.340 CV 1
ASSI { 1234}
(( segid "SH2 " and resid 13 and name HA2 ))
(( segid "SH2 " and resid 12 and name HN ))
4.200 2.800 1.800 peak 1234 weight 0.10000E+01 volume 0.30043E-03 ppm1 3.330 ppm2 9.340 CV 1
ASSI { 1221}
(( segid "SH2 " and resid 38 and name HA ))
(( segid "SH2 " and resid 38 and name HN ))
2.800 1.400 1.400 peak 1221 weight 0.10000E+01 volume 0.26558E-02 ppm1 4.470 ppm2 11.040 CV 1
ASSI { 4003}
(( segid "SH2 " and resid 38 and name HN ))
(( segid "SH2 " and resid 37 and name HB1 ))
5.000 2.800 1.000 peak 4003 weight 0.10000E+01 volume 0.27429E-03 ppm1 11.020 ppm2 3.260 CV 1
ASSI { 4005}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 38 and name HN ))
4.900 2.300 1.100 peak 4005 weight 0.10000E+01 volume 0.51674E-03 ppm1 0.900 ppm2 11.030 CV 1
ASSI { 4004}
(( segid "SH2 " and resid 38 and name HN ))
( segid "SH2 " and resid 39 and name HG2%)
5.300 3.000 0.700 peak 4004 weight 0.10000E+01 volume 0.23133E-03 ppm1 11.040 ppm2 1.260 CV 1
ASSI { 4002}
(( segid "SH2 " and resid 14 and name HN ))
( segid "SH2 " and resid 11 and name HE% )
4.900 2.800 1.100 peak 4002 weight 0.10000E+01 volume 0.28420E-03 ppm1 8.560 ppm2 6.960 CV 1
ASSI { 1215}
(( segid "SH2 " and resid 14 and name HG1 ))
(( segid "SH2 " and resid 14 and name HN ))
3.300 1.300 1.300 peak 1215 weight 0.10000E+01 volume 0.33648E-02 ppm1 1.940 ppm2 8.540 CV 1
OR { 1215}
(( segid "SH2 " and resid 14 and name HG2 ))
(( segid "SH2 " and resid 14 and name HN ))
ASSI { 2403}
(( segid "SH2 " and resid 14 and name HB2 ))
(( segid "SH2 " and resid 14 and name HN ))
2.800 1.300 1.300 peak 2403 weight 0.10000E+01 volume 0.36953E-02 ppm1 1.640 ppm2 8.540 CV 1
OR { 2403}
(( segid "SH2 " and resid 14 and name HB1 ))
(( segid "SH2 " and resid 14 and name HN ))
ASSI { 2892}
(( segid "SH2 " and resid 13 and name HA2 ))
(( segid "SH2 " and resid 14 and name HN ))
2.400 1.300 1.300 peak 2892 weight 0.10000E+01 volume 0.33347E-02 ppm1 3.330 ppm2 8.540 CV 1
ASSI { 2893}
(( segid "SH2 " and resid 13 and name HA1 ))
(( segid "SH2 " and resid 14 and name HN ))
3.000 1.100 1.100 peak 2893 weight 0.10000E+01 volume 0.63088E-02 ppm1 3.610 ppm2 8.540 CV 1
ASSI { 1211}
(( segid "SH2 " and resid 14 and name HA ))
(( segid "SH2 " and resid 14 and name HN ))
2.700 1.500 1.500 peak 1211 weight 0.10000E+01 volume 0.23764E-02 ppm1 4.300 ppm2 8.540 CV 1
ASSI { 2263}
(( segid "SH2 " and resid 36 and name HB2 ))
(( segid "SH2 " and resid 14 and name HN ))
3.800 2.800 2.200 peak 2263 weight 0.10000E+01 volume 0.28932E-03 ppm1 2.360 ppm2 8.540 CV 1
ASSI { 4008}
(( segid "SH2 " and resid 36 and name HN ))
(( segid "SH2 " and resid 14 and name HN ))
4.100 2.800 1.900 peak 4008 weight 0.10000E+01 volume 0.29172E-03 ppm1 9.020 ppm2 8.540 CV 1
ASSI { 3406}
(( segid "SH2 " and resid 44 and name HB1 ))
(( segid "SH2 " and resid 59 and name HN ))
4.400 2.400 1.600 peak 3406 weight 0.10000E+01 volume 0.46567E-03 ppm1 3.170 ppm2 8.820 CV 1
ASSI { 1199}
(( segid "SH2 " and resid 59 and name HA ))
(( segid "SH2 " and resid 59 and name HN ))
3.000 1.900 1.900 peak 1199 weight 0.10000E+01 volume 0.93135E-03 ppm1 4.490 ppm2 8.820 CV 1
ASSI { 1203}
(( segid "SH2 " and resid 59 and name HB ))
(( segid "SH2 " and resid 59 and name HN ))
2.500 1.400 1.400 peak 1203 weight 0.10000E+01 volume 0.24185E-02 ppm1 1.720 ppm2 8.820 CV 1
ASSI { 1205}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 59 and name HN ))
3.600 1.500 1.500 peak 1205 weight 0.10000E+01 volume 0.21030E-02 ppm1 0.730 ppm2 8.820 CV 1
ASSI { 3407}
(( segid "SH2 " and resid 44 and name HB2 ))
(( segid "SH2 " and resid 59 and name HN ))
4.500 2.400 1.500 peak 3407 weight 0.10000E+01 volume 0.46266E-03 ppm1 2.680 ppm2 8.820 CV 1
ASSI { 4013}
(( segid "SH2 " and resid 59 and name HN ))
( segid "SH2 " and resid 44 and name HD% )
5.300 2.700 0.700 peak 4013 weight 0.10000E+01 volume 0.30644E-03 ppm1 8.820 ppm2 7.060 CV 1
ASSI { 4017}
(( segid "SH2 " and resid 47 and name HN ))
(( segid "SH2 " and resid 33 and name HG ))
3.700 2.000 2.000 peak 4017 weight 0.10000E+01 volume 0.88329E-03 ppm1 9.080 ppm2 1.620 CV 1
ASSI { 1188}
(( segid "SH2 " and resid 46 and name HB1 ))
(( segid "SH2 " and resid 47 and name HN ))
3.400 1.800 1.800 peak 1188 weight 0.10000E+01 volume 0.11536E-02 ppm1 1.380 ppm2 9.080 CV 1
ASSI { 3905}
(( segid "SH2 " and resid 47 and name HN ))
( segid "SH2 " and resid 48 and name HG2%)
4.000 2.200 2.000 peak 3905 weight 0.10000E+01 volume 0.62788E-03 ppm1 9.080 ppm2 0.900 CV 1
OR { 3905}
(( segid "SH2 " and resid 47 and name HN ))
( segid "SH2 " and resid 48 and name HG1%)
ASSI { 1180}
(( segid "SH2 " and resid 46 and name HA ))
(( segid "SH2 " and resid 47 and name HN ))
2.100 1.000 1.000 peak 1180 weight 0.10000E+01 volume 0.77211E-02 ppm1 5.160 ppm2 9.080 CV 1
ASSI { 3904}
(( segid "SH2 " and resid 47 and name HN ))
( segid "SH2 " and resid 46 and name HD1%)
2.900 1.300 1.300 peak 3904 weight 0.10000E+01 volume 0.34850E-02 ppm1 9.080 ppm2 0.580 CV 1
ASSI { 3906}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 47 and name HN ))
4.500 2.400 1.500 peak 3906 weight 0.10000E+01 volume 0.46266E-03 ppm1 5.980 ppm2 9.080 CV 1
ASSI { 2170}
(( segid "SH2 " and resid 47 and name HN ))
(( segid "SH2 " and resid 33 and name HN ))
2.900 1.600 1.600 peak 2170 weight 0.10000E+01 volume 0.15923E-02 ppm1 9.080 ppm2 9.340 CV 1
ASSI { 1183}
(( segid "SH2 " and resid 47 and name HB1 ))
(( segid "SH2 " and resid 47 and name HN ))
3.400 1.700 1.700 peak 1183 weight 0.10000E+01 volume 0.15532E-02 ppm1 3.500 ppm2 9.080 CV 1
ASSI { 1193}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 47 and name HN ))
4.600 2.000 1.400 peak 1193 weight 0.10000E+01 volume 0.77811E-03 ppm1 0.390 ppm2 9.080 CV 1
ASSI { 1179}
(( segid "SH2 " and resid 34 and name HA ))
(( segid "SH2 " and resid 47 and name HN ))
2.900 1.600 1.600 peak 1179 weight 0.10000E+01 volume 0.19017E-02 ppm1 5.790 ppm2 9.080 CV 1
ASSI { 4015}
(( segid "SH2 " and resid 47 and name HN ))
(( segid "SH2 " and resid 32 and name HB2 ))
4.000 2.600 2.000 peak 4015 weight 0.10000E+01 volume 0.37253E-03 ppm1 9.080 ppm2 2.680 CV 1
ASSI { 1173}
(( segid "SH2 " and resid 35 and name HN ))
(( segid "SH2 " and resid 47 and name HN ))
4.200 2.400 1.800 peak 1173 weight 0.10000E+01 volume 0.48069E-03 ppm1 9.600 ppm2 9.070 CV 1
ASSI { 1184}
(( segid "SH2 " and resid 47 and name HB2 ))
(( segid "SH2 " and resid 47 and name HN ))
2.600 1.500 1.500 peak 1184 weight 0.10000E+01 volume 0.21480E-02 ppm1 3.400 ppm2 9.080 CV 1
ASSI { 1175}
(( segid "SH2 " and resid 48 and name HN ))
(( segid "SH2 " and resid 47 and name HN ))
4.400 2.200 1.600 peak 1175 weight 0.10000E+01 volume 0.57982E-03 ppm1 8.780 ppm2 9.080 CV 1
ASSI { 4365}
(( segid "SH2 " and resid 29 and name HD2 ))
(( segid "SH2 " and resid 51 and name HN ))
3.900 2.300 2.100 peak 4365 weight 0.10000E+01 volume 0.55580E-03 ppm1 7.060 ppm2 8.960 CV 1
ASSI { 1169}
(( segid "SH2 " and resid 50 and name HB1 ))
(( segid "SH2 " and resid 51 and name HN ))
2.600 1.800 1.800 peak 1169 weight 0.10000E+01 volume 0.12108E-02 ppm1 2.100 ppm2 8.960 CV 1
ASSI { 1168}
(( segid "SH2 " and resid 51 and name HB2 ))
(( segid "SH2 " and resid 51 and name HN ))
3.200 2.000 2.000 peak 1168 weight 0.10000E+01 volume 0.82617E-03 ppm1 2.710 ppm2 8.960 CV 1
ASSI { 1165}
(( segid "SH2 " and resid 51 and name HA ))
(( segid "SH2 " and resid 51 and name HN ))
2.100 1.000 1.000 peak 1165 weight 0.10000E+01 volume 0.84423E-02 ppm1 4.210 ppm2 8.960 CV 1
ASSI { 1167}
(( segid "SH2 " and resid 51 and name HB1 ))
(( segid "SH2 " and resid 51 and name HN ))
3.400 1.900 1.900 peak 1167 weight 0.10000E+01 volume 0.93435E-03 ppm1 3.010 ppm2 8.960 CV 1
ASSI { 1939}
(( segid "SH2 " and resid 52 and name HN ))
(( segid "SH2 " and resid 51 and name HN ))
3.500 1.900 1.900 peak 1939 weight 0.10000E+01 volume 0.10335E-02 ppm1 -0.740 ppm2 8.960 CV 1
ASSI { 3419}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 31 and name HN ))
4.200 2.100 1.800 peak 3419 weight 0.10000E+01 volume 0.72705E-03 ppm1 7.880 ppm2 8.140 CV 1
ASSI { 3533}
(( segid "SH2 " and resid 49 and name HN ))
(( segid "SH2 " and resid 31 and name HN ))
3.600 1.900 1.900 peak 3533 weight 0.10000E+01 volume 0.97041E-03 ppm1 8.620 ppm2 8.140 CV 1
ASSI { 3622}
(( segid "SH2 " and resid 49 and name HB2 ))
(( segid "SH2 " and resid 31 and name HN ))
4.100 1.600 1.600 peak 3622 weight 0.10000E+01 volume 0.16674E-02 ppm1 3.960 ppm2 8.140 CV 1
ASSI { 3418}
(( segid "SH2 " and resid 31 and name HA ))
(( segid "SH2 " and resid 31 and name HN ))
2.800 1.500 1.500 peak 3418 weight 0.10000E+01 volume 0.20189E-02 ppm1 5.310 ppm2 8.140 CV 1
ASSI { 4027}
(( segid "SH2 " and resid 31 and name HN ))
(( segid "SH2 " and resid 112 and name HN ))
4.500 2.700 1.500 peak 4027 weight 0.10000E+01 volume 0.31545E-03 ppm1 8.130 ppm2 9.100 CV 1
ASSI { 3840}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 31 and name HN ))
5.500 2.200 0.500 peak 3840 weight 0.10000E+01 volume 0.59788E-03 ppm1 0.540 ppm2 8.140 CV 1
ASSI { 3554}
(( segid "SH2 " and resid 49 and name HB1 ))
(( segid "SH2 " and resid 31 and name HN ))
3.000 1.500 1.500 peak 3554 weight 0.10000E+01 volume 0.23764E-02 ppm1 4.370 ppm2 8.140 CV 1
ASSI { 3545}
(( segid "SH2 " and resid 31 and name HB ))
(( segid "SH2 " and resid 31 and name HN ))
2.400 1.100 1.100 peak 3545 weight 0.10000E+01 volume 0.58282E-02 ppm1 2.120 ppm2 8.140 CV 1
ASSI { 1147}
(( segid "SH2 " and resid 30 and name HA2 ))
(( segid "SH2 " and resid 31 and name HN ))
3.400 1.900 1.900 peak 1147 weight 0.10000E+01 volume 0.99141E-03 ppm1 3.580 ppm2 8.140 CV 1
ASSI { 1159}
(( segid "SH2 " and resid 30 and name HN ))
(( segid "SH2 " and resid 31 and name HN ))
2.500 1.300 1.300 peak 1159 weight 0.10000E+01 volume 0.32446E-02 ppm1 9.420 ppm2 8.140 CV 1
ASSI { 3551}
(( segid "SH2 " and resid 29 and name HA ))
(( segid "SH2 " and resid 31 and name HN ))
3.100 1.600 1.600 peak 3551 weight 0.10000E+01 volume 0.17846E-02 ppm1 4.590 ppm2 8.140 CV 1
ASSI { 3701}
(( segid "SH2 " and resid 29 and name HB1 ))
(( segid "SH2 " and resid 31 and name HN ))
4.800 2.400 1.200 peak 3701 weight 0.10000E+01 volume 0.45365E-03 ppm1 3.150 ppm2 8.140 CV 1
OR { 3701}
(( segid "SH2 " and resid 29 and name HB2 ))
(( segid "SH2 " and resid 31 and name HN ))
ASSI { 4023}
(( segid "SH2 " and resid 31 and name HN ))
(( segid "SH2 " and resid 48 and name HA ))
4.800 2.800 1.200 peak 4023 weight 0.10000E+01 volume 0.29382E-03 ppm1 8.140 ppm2 5.010 CV 1
ASSI { 4025}
(( segid "SH2 " and resid 31 and name HN ))
(( segid "SH2 " and resid 29 and name HD2 ))
5.200 2.800 0.800 peak 4025 weight 0.10000E+01 volume 0.27099E-03 ppm1 8.140 ppm2 7.060 CV 1
ASSI { 4024}
(( segid "SH2 " and resid 31 and name HN ))
(( segid "SH2 " and resid 113 and name HN ))
4.400 2.800 1.600 peak 4024 weight 0.10000E+01 volume 0.29953E-03 ppm1 8.130 ppm2 7.220 CV 1
ASSI { 4026}
(( segid "SH2 " and resid 31 and name HN ))
(( segid "SH2 " and resid 28 and name HN ))
4.800 2.900 1.200 peak 4026 weight 0.10000E+01 volume 0.26588E-03 ppm1 8.130 ppm2 8.850 CV 1
ASSI { 3835}
(( segid "SH2 " and resid 112 and name HB ))
(( segid "SH2 " and resid 31 and name HN ))
4.000 2.100 2.000 peak 3835 weight 0.10000E+01 volume 0.66994E-03 ppm1 1.610 ppm2 8.140 CV 1
ASSI { 4031}
(( segid "SH2 " and resid 88 and name HN ))
(( segid "SH2 " and resid 89 and name HG1 ))
3.800 2.100 2.100 peak 4031 weight 0.10000E+01 volume 0.72105E-03 ppm1 8.590 ppm2 2.170 CV 1
OR { 4031}
(( segid "SH2 " and resid 88 and name HN ))
(( segid "SH2 " and resid 89 and name HG2 ))
ASSI { 1126}
(( segid "SH2 " and resid 88 and name HA ))
(( segid "SH2 " and resid 88 and name HN ))
2.900 1.400 1.400 peak 1126 weight 0.10000E+01 volume 0.27519E-02 ppm1 4.680 ppm2 8.590 CV 1
ASSI { 3212}
(( segid "SH2 " and resid 87 and name HN ))
(( segid "SH2 " and resid 88 and name HN ))
4.700 1.900 1.300 peak 3212 weight 0.10000E+01 volume 0.99141E-03 ppm1 9.360 ppm2 8.590 CV 1
ASSI { 4029}
(( segid "SH2 " and resid 88 and name HN ))
(( segid "SH2 " and resid 87 and name HA1 ))
2.200 1.100 1.100 peak 4029 weight 0.10000E+01 volume 0.58882E-02 ppm1 8.590 ppm2 4.000 CV 1
ASSI { 4030}
(( segid "SH2 " and resid 88 and name HN ))
(( segid "SH2 " and resid 87 and name HA2 ))
3.200 1.300 1.300 peak 4030 weight 0.10000E+01 volume 0.34850E-02 ppm1 8.600 ppm2 3.760 CV 1
ASSI { 1125}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 88 and name HN ))
2.800 1.400 1.400 peak 1125 weight 0.10000E+01 volume 0.29923E-02 ppm1 8.270 ppm2 8.600 CV 1
ASSI { 1113}
(( segid "SH2 " and resid 57 and name HB1 ))
(( segid "SH2 " and resid 57 and name HN ))
3.500 1.500 1.500 peak 1113 weight 0.10000E+01 volume 0.23824E-02 ppm1 2.960 ppm2 9.360 CV 1
ASSI { 4045}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 57 and name HN ))
4.500 2.200 1.500 peak 4045 weight 0.10000E+01 volume 0.62488E-03 ppm1 0.390 ppm2 9.360 CV 1
ASSI { 4043}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "SH2 " and resid 57 and name HN ))
2.800 1.400 1.400 peak 4043 weight 0.10000E+01 volume 0.24786E-02 ppm1 1.200 ppm2 9.360 CV 1
ASSI { 1112}
(( segid "SH2 " and resid 56 and name HA ))
(( segid "SH2 " and resid 57 and name HN ))
2.100 1.100 1.100 peak 1112 weight 0.10000E+01 volume 0.69400E-02 ppm1 4.920 ppm2 9.360 CV 1
ASSI { 1114}
(( segid "SH2 " and resid 57 and name HB2 ))
(( segid "SH2 " and resid 57 and name HN ))
2.600 1.600 1.600 peak 1114 weight 0.10000E+01 volume 0.18236E-02 ppm1 2.820 ppm2 9.360 CV 1
ASSI { 1109}
( segid "SH2 " and resid 57 and name HD% )
(( segid "SH2 " and resid 57 and name HN ))
2.500 1.300 1.300 peak 1109 weight 0.10000E+01 volume 0.30945E-02 ppm1 6.710 ppm2 9.360 CV 1
ASSI { 1105}
(( segid "SH2 " and resid 56 and name HN ))
(( segid "SH2 " and resid 57 and name HN ))
4.000 2.400 2.000 peak 1105 weight 0.10000E+01 volume 0.49571E-03 ppm1 8.490 ppm2 9.360 CV 1
ASSI { 4041}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 57 and name HN ))
3.700 1.700 1.700 peak 4041 weight 0.10000E+01 volume 0.14601E-02 ppm1 5.750 ppm2 9.360 CV 1
ASSI { 1110}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 57 and name HN ))
5.000 2.400 1.000 peak 1110 weight 0.10000E+01 volume 0.44163E-03 ppm1 6.380 ppm2 9.360 CV 1
ASSI { 4044}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 57 and name HN ))
4.500 2.100 1.500 peak 4044 weight 0.10000E+01 volume 0.72705E-03 ppm1 0.920 ppm2 9.360 CV 1
ASSI { 1104}
(( segid "SH2 " and resid 48 and name HN ))
(( segid "SH2 " and resid 57 and name HN ))
5.200 2.800 0.800 peak 1104 weight 0.10000E+01 volume 0.29833E-03 ppm1 8.790 ppm2 9.360 CV 1
ASSI { 1099}
(( segid "SH2 " and resid 27 and name HE21))
(( segid "SH2 " and resid 28 and name HN ))
4.900 3.000 1.100 peak 1099 weight 0.10000E+01 volume 0.23854E-03 ppm1 7.560 ppm2 8.860 CV 1
ASSI { 4389}
(( segid "SH2 " and resid 28 and name HN ))
(( segid "SH2 " and resid 27 and name HN ))
4.300 2.000 1.700 peak 4389 weight 0.10000E+01 volume 0.78711E-03 ppm1 8.870 ppm2 7.870 CV 1
ASSI { 1090}
(( segid "SH2 " and resid 28 and name HD2 ))
(( segid "SH2 " and resid 28 and name HN ))
4.700 1.900 1.300 peak 1090 weight 0.10000E+01 volume 0.93435E-03 ppm1 3.150 ppm2 8.870 CV 1
OR { 1090}
(( segid "SH2 " and resid 28 and name HD1 ))
(( segid "SH2 " and resid 28 and name HN ))
ASSI { 3508}
(( segid "SH2 " and resid 29 and name HN ))
(( segid "SH2 " and resid 28 and name HN ))
4.400 1.900 1.600 peak 3508 weight 0.10000E+01 volume 0.94335E-03 ppm1 8.170 ppm2 8.870 CV 1
ASSI { 4049}
(( segid "SH2 " and resid 28 and name HN ))
(( segid "SH2 " and resid 27 and name HG2 ))
3.500 1.200 1.200 peak 4049 weight 0.10000E+01 volume 0.41459E-02 ppm1 8.870 ppm2 2.320 CV 1
OR { 4049}
(( segid "SH2 " and resid 28 and name HN ))
(( segid "SH2 " and resid 27 and name HG1 ))
ASSI { 3509}
(( segid "SH2 " and resid 28 and name HB1 ))
(( segid "SH2 " and resid 28 and name HN ))
2.300 1.000 1.000 peak 3509 weight 0.10000E+01 volume 0.78411E-02 ppm1 1.780 ppm2 8.870 CV 1
ASSI { 1094}
(( segid "SH2 " and resid 28 and name HB2 ))
(( segid "SH2 " and resid 28 and name HN ))
2.500 1.400 1.400 peak 1094 weight 0.10000E+01 volume 0.27099E-02 ppm1 1.630 ppm2 8.870 CV 1
ASSI { 4050}
(( segid "SH2 " and resid 28 and name HN ))
(( segid "SH2 " and resid 31 and name HB ))
3.200 3.200 2.800 peak 4050 weight 0.10000E+01 volume 0.19438E-02 ppm1 8.870 ppm2 2.090 CV 1
ASSI { 1060}
(( segid "SH2 " and resid 56 and name HN ))
(( segid "SH2 " and resid 55 and name HN ))
3.900 1.700 1.700 peak 1060 weight 0.10000E+01 volume 0.13159E-02 ppm1 8.510 ppm2 9.040 CV 1
ASSI { 3404}
(( segid "SH2 " and resid 55 and name HB1 ))
(( segid "SH2 " and resid 55 and name HN ))
3.200 1.500 1.500 peak 3404 weight 0.10000E+01 volume 0.20700E-02 ppm1 3.650 ppm2 9.040 CV 1
ASSI { 1067}
(( segid "SH2 " and resid 55 and name HB2 ))
(( segid "SH2 " and resid 55 and name HN ))
2.800 1.700 1.700 peak 1067 weight 0.10000E+01 volume 0.14962E-02 ppm1 3.210 ppm2 9.040 CV 1
ASSI { 2610}
(( segid "SH2 " and resid 55 and name HN ))
(( segid "SH2 " and resid 49 and name HB2 ))
5.100 2.700 0.900 peak 2610 weight 0.10000E+01 volume 0.30343E-03 ppm1 9.040 ppm2 3.920 CV 1
ASSI { 3610}
(( segid "SH2 " and resid 48 and name HN ))
(( segid "SH2 " and resid 55 and name HN ))
2.800 1.600 1.600 peak 3610 weight 0.10000E+01 volume 0.17815E-02 ppm1 8.780 ppm2 9.050 CV 1
ASSI { 4057}
(( segid "SH2 " and resid 85 and name HD1 ))
(( segid "SH2 " and resid 86 and name HN ))
5.000 2.900 1.000 peak 4057 weight 0.10000E+01 volume 0.26528E-03 ppm1 3.150 ppm2 8.600 CV 1
OR { 4057}
(( segid "SH2 " and resid 85 and name HD2 ))
(( segid "SH2 " and resid 86 and name HN ))
ASSI { 3612}
(( segid "SH2 " and resid 55 and name HN ))
( segid "SH2 " and resid 57 and name HE% )
4.800 2.400 1.200 peak 3612 weight 0.10000E+01 volume 0.43863E-03 ppm1 9.040 ppm2 6.370 CV 1
ASSI { 3400}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 55 and name HN ))
4.500 2.500 1.500 peak 3400 weight 0.10000E+01 volume 0.43562E-03 ppm1 5.750 ppm2 9.050 CV 1
ASSI { 2999}
(( segid "SH2 " and resid 60 and name HN ))
(( segid "SH2 " and resid 87 and name HN ))
4.700 2.500 1.300 peak 2999 weight 0.10000E+01 volume 0.41760E-03 ppm1 9.040 ppm2 9.370 CV 1
ASSI { 1567}
(( segid "SH2 " and resid 86 and name HA ))
(( segid "SH2 " and resid 86 and name HN ))
2.800 1.700 1.700 peak 1567 weight 0.10000E+01 volume 0.15442E-02 ppm1 4.840 ppm2 8.600 CV 1
ASSI { 4060}
(( segid "SH2 " and resid 86 and name HN ))
( segid "SH2 " and resid 97 and name HD1%)
4.700 2.100 1.300 peak 4060 weight 0.10000E+01 volume 0.69400E-03 ppm1 8.600 ppm2 0.720 CV 1
ASSI { 4061}
(( segid "SH2 " and resid 86 and name HN ))
( segid "SH2 " and resid 97 and name HD2%)
4.800 2.400 1.200 peak 4061 weight 0.10000E+01 volume 0.44764E-03 ppm1 8.610 ppm2 0.500 CV 1
ASSI { 4055}
(( segid "SH2 " and resid 86 and name HN ))
( segid "SH2 " and resid 91 and name HD% )
4.100 2.200 1.900 peak 4055 weight 0.10000E+01 volume 0.57982E-03 ppm1 8.600 ppm2 6.950 CV 1
ASSI { 1068}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 60 and name HN ))
3.600 1.500 1.500 peak 1068 weight 0.10000E+01 volume 0.23644E-02 ppm1 2.870 ppm2 9.060 CV 1
ASSI { 1069}
(( segid "SH2 " and resid 60 and name HB2 ))
(( segid "SH2 " and resid 60 and name HN ))
2.400 1.300 1.300 peak 1069 weight 0.10000E+01 volume 0.34549E-02 ppm1 2.540 ppm2 9.060 CV 1
ASSI { 1082}
(( segid "SH2 " and resid 85 and name HB1 ))
(( segid "SH2 " and resid 86 and name HN ))
3.500 1.500 1.500 peak 1082 weight 0.10000E+01 volume 0.21150E-02 ppm1 1.860 ppm2 8.600 CV 1
ASSI { 1079}
(( segid "SH2 " and resid 87 and name HN ))
(( segid "SH2 " and resid 86 and name HN ))
4.100 2.400 1.900 peak 1079 weight 0.10000E+01 volume 0.48670E-03 ppm1 9.360 ppm2 8.600 CV 1
ASSI { 1061}
(( segid "SH2 " and resid 60 and name HD21))
(( segid "SH2 " and resid 60 and name HN ))
3.900 2.600 2.100 peak 1061 weight 0.10000E+01 volume 0.38155E-03 ppm1 7.430 ppm2 9.070 CV 1
ASSI { 1083}
(( segid "SH2 " and resid 85 and name HG2 ))
(( segid "SH2 " and resid 86 and name HN ))
2.700 1.500 1.500 peak 1083 weight 0.10000E+01 volume 0.23884E-02 ppm1 1.490 ppm2 8.600 CV 1
OR { 1083}
(( segid "SH2 " and resid 85 and name HG1 ))
(( segid "SH2 " and resid 86 and name HN ))
ASSI { 1051}
(( segid "SH2 " and resid 35 and name HD2 ))
(( segid "SH2 " and resid 35 and name HN ))
4.700 2.500 1.300 peak 1051 weight 0.10000E+01 volume 0.40257E-03 ppm1 3.560 ppm2 9.610 CV 1
OR { 1051}
(( segid "SH2 " and resid 35 and name HD1 ))
(( segid "SH2 " and resid 35 and name HN ))
ASSI { 1077}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 86 and name HN ))
3.300 1.900 1.900 peak 1077 weight 0.10000E+01 volume 0.91929E-03 ppm1 8.270 ppm2 8.600 CV 1
ASSI { 1042}
(( segid "SH2 " and resid 45 and name HN ))
(( segid "SH2 " and resid 35 and name HN ))
2.700 1.700 1.700 peak 1042 weight 0.10000E+01 volume 0.14751E-02 ppm1 9.780 ppm2 9.600 CV 1
ASSI { 1049}
(( segid "SH2 " and resid 45 and name HA ))
(( segid "SH2 " and resid 35 and name HN ))
4.400 2.700 1.600 peak 1049 weight 0.10000E+01 volume 0.31545E-03 ppm1 4.770 ppm2 9.600 CV 1
ASSI { 1048}
(( segid "SH2 " and resid 46 and name HA ))
(( segid "SH2 " and resid 35 and name HN ))
3.900 2.100 2.100 peak 1048 weight 0.10000E+01 volume 0.67900E-03 ppm1 5.160 ppm2 9.600 CV 1
ASSI { 1057}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 35 and name HN ))
3.800 1.700 1.700 peak 1057 weight 0.10000E+01 volume 0.14421E-02 ppm1 1.200 ppm2 9.600 CV 1
ASSI { 1053}
(( segid "SH2 " and resid 35 and name HB1 ))
(( segid "SH2 " and resid 35 and name HN ))
3.400 2.200 2.200 peak 1053 weight 0.10000E+01 volume 0.60388E-03 ppm1 2.410 ppm2 9.600 CV 1
ASSI { 1052}
(( segid "SH2 " and resid 34 and name HB ))
(( segid "SH2 " and resid 35 and name HN ))
4.600 2.300 1.400 peak 1052 weight 0.10000E+01 volume 0.55880E-03 ppm1 2.690 ppm2 9.600 CV 1
ASSI { 4053}
(( segid "SH2 " and resid 45 and name HB ))
(( segid "SH2 " and resid 35 and name HN ))
3.000 1.800 1.800 peak 4053 weight 0.10000E+01 volume 0.11867E-02 ppm1 1.970 ppm2 9.600 CV 1
ASSI { 4052}
(( segid "SH2 " and resid 35 and name HN ))
( segid "SH2 " and resid 44 and name HD% )
4.000 2.400 2.000 peak 4052 weight 0.10000E+01 volume 0.45365E-03 ppm1 9.600 ppm2 7.050 CV 1
ASSI { 4054}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 35 and name HN ))
5.000 2.900 1.000 peak 4054 weight 0.10000E+01 volume 0.26438E-03 ppm1 0.370 ppm2 9.600 CV 1
ASSI { 4066}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 35 and name HN ))
4.400 2.600 1.600 peak 4066 weight 0.10000E+01 volume 0.34549E-03 ppm1 0.890 ppm2 9.600 CV 1
ASSI { 4064}
(( segid "SH2 " and resid 44 and name HB1 ))
(( segid "SH2 " and resid 35 and name HN ))
4.900 2.800 1.100 peak 4064 weight 0.10000E+01 volume 0.27369E-03 ppm1 3.200 ppm2 9.610 CV 1
ASSI { 1041}
(( segid "SH2 " and resid 17 and name HN ))
(( segid "SH2 " and resid 16 and name HN ))
4.700 2.300 1.300 peak 1041 weight 0.10000E+01 volume 0.52876E-03 ppm1 9.230 ppm2 8.930 CV 1
ASSI { 1028}
(( segid "SH2 " and resid 15 and name HB2 ))
(( segid "SH2 " and resid 16 and name HN ))
4.000 1.700 1.700 peak 1028 weight 0.10000E+01 volume 0.13129E-02 ppm1 1.540 ppm2 8.930 CV 1
ASSI { 1029}
( segid "SH2 " and resid 15 and name HD1%)
(( segid "SH2 " and resid 16 and name HN ))
3.400 1.400 1.400 peak 1029 weight 0.10000E+01 volume 0.25867E-02 ppm1 1.020 ppm2 8.930 CV 1
ASSI { 1034}
(( segid "SH2 " and resid 16 and name HB2 ))
(( segid "SH2 " and resid 16 and name HN ))
2.600 1.400 1.400 peak 1034 weight 0.10000E+01 volume 0.27820E-02 ppm1 4.070 ppm2 8.930 CV 1
OR { 1034}
(( segid "SH2 " and resid 16 and name HB1 ))
(( segid "SH2 " and resid 16 and name HN ))
ASSI { 2419}
(( segid "SH2 " and resid 16 and name HN ))
(( segid "SH2 " and resid 15 and name HB1 ))
3.400 1.500 1.500 peak 2419 weight 0.10000E+01 volume 0.20279E-02 ppm1 8.940 ppm2 1.750 CV 1
ASSI { 1737}
(( segid "SH2 " and resid 20 and name HN ))
(( segid "SH2 " and resid 16 and name HN ))
4.600 2.700 1.400 peak 1737 weight 0.10000E+01 volume 0.31545E-03 ppm1 8.250 ppm2 8.940 CV 1
ASSI { 4071}
(( segid "SH2 " and resid 115 and name HN ))
(( segid "SH2 " and resid 116 and name HN ))
3.000 1.800 1.800 peak 4071 weight 0.10000E+01 volume 0.12378E-02 ppm1 8.280 ppm2 8.540 CV 1
ASSI { 4073}
(( segid "SH2 " and resid 37 and name HN ))
(( segid "SH2 " and resid 36 and name HN ))
4.800 2.400 1.200 peak 4073 weight 0.10000E+01 volume 0.44163E-03 ppm1 8.060 ppm2 9.010 CV 1
ASSI { 1000}
(( segid "SH2 " and resid 35 and name HN ))
(( segid "SH2 " and resid 36 and name HN ))
4.100 2.300 1.900 peak 1000 weight 0.10000E+01 volume 0.50472E-03 ppm1 9.600 ppm2 9.010 CV 1
ASSI { 2554}
(( segid "SH2 " and resid 13 and name HA1 ))
(( segid "SH2 " and resid 36 and name HN ))
4.700 2.100 1.300 peak 2554 weight 0.10000E+01 volume 0.73906E-03 ppm1 3.590 ppm2 9.010 CV 1
ASSI { 1500}
(( segid "SH2 " and resid 35 and name HG1 ))
(( segid "SH2 " and resid 36 and name HN ))
3.700 1.800 1.800 peak 1500 weight 0.10000E+01 volume 0.10906E-02 ppm1 1.690 ppm2 9.010 CV 1
OR { 1500}
(( segid "SH2 " and resid 35 and name HG2 ))
(( segid "SH2 " and resid 36 and name HN ))
ASSI { 1012}
(( segid "SH2 " and resid 36 and name HB1 ))
(( segid "SH2 " and resid 36 and name HN ))
3.500 1.400 1.400 peak 1012 weight 0.10000E+01 volume 0.24065E-02 ppm1 2.780 ppm2 9.010 CV 1
ASSI { 1005}
(( segid "SH2 " and resid 35 and name HA ))
(( segid "SH2 " and resid 36 and name HN ))
2.300 1.100 1.100 peak 1005 weight 0.10000E+01 volume 0.52575E-02 ppm1 5.370 ppm2 9.010 CV 1
ASSI { 1015}
(( segid "SH2 " and resid 35 and name HB2 ))
(( segid "SH2 " and resid 36 and name HN ))
2.600 1.500 1.500 peak 1015 weight 0.10000E+01 volume 0.22022E-02 ppm1 1.470 ppm2 9.010 CV 1
ASSI { 1013}
(( segid "SH2 " and resid 36 and name HB2 ))
(( segid "SH2 " and resid 36 and name HN ))
2.200 1.200 1.200 peak 1013 weight 0.10000E+01 volume 0.51373E-02 ppm1 2.380 ppm2 9.010 CV 1
ASSI { 2547}
(( segid "SH2 " and resid 14 and name HA ))
(( segid "SH2 " and resid 36 and name HN ))
3.700 1.600 1.600 peak 2547 weight 0.10000E+01 volume 0.15953E-02 ppm1 4.300 ppm2 9.010 CV 1
ASSI { 2901}
( segid "SH2 " and resid 11 and name HE% )
(( segid "SH2 " and resid 36 and name HN ))
3.600 2.000 2.000 peak 2901 weight 0.10000E+01 volume 0.80517E-03 ppm1 6.960 ppm2 9.020 CV 1
ASSI { 1006}
(( segid "SH2 " and resid 36 and name HA ))
(( segid "SH2 " and resid 36 and name HN ))
2.900 1.600 1.600 peak 1006 weight 0.10000E+01 volume 0.17665E-02 ppm1 4.900 ppm2 9.010 CV 1
ASSI { 2553}
(( segid "SH2 " and resid 13 and name HA2 ))
(( segid "SH2 " and resid 36 and name HN ))
3.600 2.300 2.300 peak 2553 weight 0.10000E+01 volume 0.54077E-03 ppm1 3.320 ppm2 9.010 CV 1
ASSI { 4074}
(( segid "SH2 " and resid 91 and name HB2 ))
(( segid "SH2 " and resid 97 and name HN ))
4.100 2.400 1.900 peak 4074 weight 0.10000E+01 volume 0.49872E-03 ppm1 2.410 ppm2 7.000 CV 1
ASSI { 1996}
(( segid "SH2 " and resid 97 and name HN ))
(( segid "SH2 " and resid 98 and name HG ))
3.900 1.700 1.700 peak 1996 weight 0.10000E+01 volume 0.14751E-02 ppm1 7.000 ppm2 1.230 CV 1
ASSI { 2662}
(( segid "SH2 " and resid 97 and name HN ))
( segid "SH2 " and resid 46 and name HD2%)
5.300 2.800 0.700 peak 2662 weight 0.10000E+01 volume 0.27790E-03 ppm1 7.000 ppm2 0.400 CV 1
ASSI { 3620}
(( segid "SH2 " and resid 91 and name HB1 ))
(( segid "SH2 " and resid 97 and name HN ))
3.600 2.400 2.400 peak 3620 weight 0.10000E+01 volume 0.48670E-03 ppm1 3.300 ppm2 7.000 CV 1
ASSI { 972}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 97 and name HN ))
4.000 1.600 1.600 peak 972 weight 0.10000E+01 volume 0.16493E-02 ppm1 0.710 ppm2 7.000 CV 1
ASSI { 979}
(( segid "SH2 " and resid 96 and name HA ))
(( segid "SH2 " and resid 97 and name HN ))
2.900 1.500 1.500 peak 979 weight 0.10000E+01 volume 0.23884E-02 ppm1 4.020 ppm2 7.000 CV 1
ASSI { 983}
(( segid "SH2 " and resid 98 and name HN ))
(( segid "SH2 " and resid 97 and name HN ))
2.700 1.400 1.400 peak 983 weight 0.10000E+01 volume 0.25266E-02 ppm1 7.840 ppm2 7.000 CV 1
ASSI { 975}
(( segid "SH2 " and resid 97 and name HB2 ))
(( segid "SH2 " and resid 97 and name HN ))
2.400 1.300 1.300 peak 975 weight 0.10000E+01 volume 0.33648E-02 ppm1 1.700 ppm2 7.000 CV 1
OR { 975}
(( segid "SH2 " and resid 97 and name HB1 ))
(( segid "SH2 " and resid 97 and name HN ))
ASSI { 971}
( segid "SH2 " and resid 97 and name HD2%)
(( segid "SH2 " and resid 97 and name HN ))
3.900 1.800 1.800 peak 971 weight 0.10000E+01 volume 0.11446E-02 ppm1 0.520 ppm2 7.000 CV 1
ASSI { 4079}
(( segid "SH2 " and resid 97 and name HN ))
(( segid "SH2 " and resid 91 and name HA ))
5.100 2.800 0.900 peak 4079 weight 0.10000E+01 volume 0.27159E-03 ppm1 7.000 ppm2 4.750 CV 1
ASSI { 4078}
(( segid "SH2 " and resid 97 and name HN ))
( segid "SH2 " and resid 98 and name HD1%)
5.100 2.900 0.900 peak 4078 weight 0.10000E+01 volume 0.25777E-03 ppm1 6.990 ppm2 -0.440 CV 1
ASSI { 978}
(( segid "SH2 " and resid 95 and name HD2 ))
(( segid "SH2 " and resid 97 and name HN ))
4.100 2.400 1.900 peak 978 weight 0.10000E+01 volume 0.44163E-03 ppm1 3.800 ppm2 7.000 CV 1
OR { 978}
(( segid "SH2 " and resid 95 and name HD1 ))
(( segid "SH2 " and resid 97 and name HN ))
ASSI { 3901}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 115 and name HN ))
4.200 2.600 1.800 peak 3901 weight 0.10000E+01 volume 0.36352E-03 ppm1 5.040 ppm2 8.250 CV 1
ASSI { 4082}
(( segid "SH2 " and resid 115 and name HN ))
(( segid "SH2 " and resid 33 and name HN ))
4.200 2.700 1.800 peak 4082 weight 0.10000E+01 volume 0.30644E-03 ppm1 8.250 ppm2 9.340 CV 1
ASSI { 2720}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 115 and name HN ))
4.400 2.900 1.600 peak 2720 weight 0.10000E+01 volume 0.25627E-03 ppm1 6.000 ppm2 8.240 CV 1
ASSI { 959}
( segid "SH2 " and resid 32 and name HE% )
(( segid "SH2 " and resid 32 and name HN ))
3.300 1.600 1.600 peak 959 weight 0.10000E+01 volume 0.17815E-02 ppm1 7.620 ppm2 7.880 CV 1
ASSI { 4081}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 112 and name HN ))
4.500 2.900 1.500 peak 4081 weight 0.10000E+01 volume 0.26889E-03 ppm1 7.880 ppm2 9.100 CV 1
ASSI { 986}
(( segid "SH2 " and resid 31 and name HA ))
(( segid "SH2 " and resid 115 and name HN ))
4.200 2.300 1.800 peak 986 weight 0.10000E+01 volume 0.57382E-03 ppm1 5.300 ppm2 8.240 CV 1
ASSI { 4077}
(( segid "SH2 " and resid 32 and name HN ))
( segid "SH2 " and resid 24 and name HD2%)
3.800 2.000 2.000 peak 4077 weight 0.10000E+01 volume 0.89529E-03 ppm1 7.880 ppm2 0.550 CV 1
OR { 4077}
(( segid "SH2 " and resid 32 and name HN ))
( segid "SH2 " and resid 24 and name HD1%)
ASSI { 964}
(( segid "SH2 " and resid 33 and name HN ))
(( segid "SH2 " and resid 32 and name HN ))
4.300 2.400 1.700 peak 964 weight 0.10000E+01 volume 0.44464E-03 ppm1 9.340 ppm2 7.880 CV 1
ASSI { 2053}
(( segid "SH2 " and resid 114 and name HB2 ))
(( segid "SH2 " and resid 115 and name HN ))
2.800 1.400 1.400 peak 2053 weight 0.10000E+01 volume 0.24755E-02 ppm1 1.850 ppm2 8.250 CV 1
OR { 2053}
(( segid "SH2 " and resid 114 and name HB1 ))
(( segid "SH2 " and resid 115 and name HN ))
ASSI { 1924}
( segid "SH2 " and resid 32 and name HD% )
(( segid "SH2 " and resid 32 and name HN ))
2.900 1.700 1.700 peak 1924 weight 0.10000E+01 volume 0.14301E-02 ppm1 6.740 ppm2 7.880 CV 1
ASSI { 3676}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 115 and name HN ))
3.200 1.700 1.700 peak 3676 weight 0.10000E+01 volume 0.15172E-02 ppm1 7.880 ppm2 8.250 CV 1
ASSI { 993}
(( segid "SH2 " and resid 115 and name HB ))
(( segid "SH2 " and resid 115 and name HN ))
2.900 1.200 1.200 peak 993 weight 0.10000E+01 volume 0.50773E-02 ppm1 1.670 ppm2 8.250 CV 1
ASSI { 3009}
(( segid "SH2 " and resid 115 and name HN ))
(( segid "SH2 " and resid 12 and name HZ2 ))
6.000 2.800 0.000 peak 3009 weight 0.10000E+01 volume 0.29743E-03 ppm1 8.250 ppm2 7.140 CV 1
ASSI { 4084}
(( segid "SH2 " and resid 31 and name HB ))
(( segid "SH2 " and resid 32 and name HN ))
4.600 2.000 1.400 peak 4084 weight 0.10000E+01 volume 0.81117E-03 ppm1 2.140 ppm2 7.890 CV 1
ASSI { 2524}
(( segid "SH2 " and resid 106 and name HA ))
(( segid "SH2 " and resid 106 and name HN ))
2.700 1.300 1.300 peak 2524 weight 0.10000E+01 volume 0.35451E-02 ppm1 4.070 ppm2 7.890 CV 1
ASSI { 2526}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 114 and name HA ))
3.400 2.300 2.300 peak 2526 weight 0.10000E+01 volume 0.54378E-03 ppm1 7.890 ppm2 4.390 CV 1
ASSI { 1913}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 32 and name HN ))
3.300 1.400 1.400 peak 1913 weight 0.10000E+01 volume 0.27670E-02 ppm1 1.060 ppm2 7.890 CV 1
ASSI { 4086}
(( segid "SH2 " and resid 106 and name HN ))
(( segid "SH2 " and resid 104 and name HB1 ))
4.000 3.100 2.000 peak 4086 weight 0.10000E+01 volume 0.21060E-03 ppm1 7.890 ppm2 3.000 CV 1
ASSI { 949}
(( segid "SH2 " and resid 105 and name HB1 ))
(( segid "SH2 " and resid 106 and name HN ))
3.600 1.700 1.700 peak 949 weight 0.10000E+01 volume 0.13639E-02 ppm1 2.740 ppm2 7.890 CV 1
ASSI { 952}
(( segid "SH2 " and resid 106 and name HB1 ))
(( segid "SH2 " and resid 106 and name HN ))
3.300 1.400 1.400 peak 952 weight 0.10000E+01 volume 0.28450E-02 ppm1 1.680 ppm2 7.890 CV 1
ASSI { 953}
(( segid "SH2 " and resid 106 and name HB2 ))
(( segid "SH2 " and resid 106 and name HN ))
2.400 1.400 1.400 peak 953 weight 0.10000E+01 volume 0.25777E-02 ppm1 1.250 ppm2 7.890 CV 1
ASSI { 2522}
(( segid "SH2 " and resid 106 and name HN ))
(( segid "SH2 " and resid 110 and name HA ))
3.300 3.300 2.700 peak 2522 weight 0.10000E+01 volume 0.12378E-02 ppm1 7.890 ppm2 4.690 CV 1
ASSI { 4087}
(( segid "SH2 " and resid 106 and name HN ))
(( segid "SH2 " and resid 107 and name HN ))
3.300 1.600 1.600 peak 4087 weight 0.10000E+01 volume 0.16764E-02 ppm1 7.890 ppm2 8.460 CV 1
ASSI { 4089}
(( segid "SH2 " and resid 83 and name HN ))
(( segid "SH2 " and resid 84 and name HN ))
4.700 2.500 1.300 peak 4089 weight 0.10000E+01 volume 0.42360E-03 ppm1 8.260 ppm2 8.700 CV 1
ASSI { 950}
(( segid "SH2 " and resid 105 and name HB2 ))
(( segid "SH2 " and resid 106 and name HN ))
3.600 1.700 1.700 peak 950 weight 0.10000E+01 volume 0.15442E-02 ppm1 2.500 ppm2 7.890 CV 1
ASSI { 4101}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 64 and name HB1 ))
3.600 2.100 2.100 peak 4101 weight 0.10000E+01 volume 0.68200E-03 ppm1 8.450 ppm2 2.230 CV 1
OR { 4101}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 64 and name HB2 ))
ASSI { 4102}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 65 and name HG1 ))
3.500 1.400 1.400 peak 4102 weight 0.10000E+01 volume 0.27009E-02 ppm1 8.450 ppm2 1.700 CV 1
OR { 4102}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 65 and name HG2 ))
ASSI { 3948}
(( segid "SH2 " and resid 64 and name HA ))
(( segid "SH2 " and resid 65 and name HN ))
2.200 1.200 1.200 peak 3948 weight 0.10000E+01 volume 0.50472E-02 ppm1 4.420 ppm2 8.450 CV 1
ASSI { 4103}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 64 and name HG2 ))
4.300 1.700 1.700 peak 4103 weight 0.10000E+01 volume 0.13910E-02 ppm1 8.460 ppm2 1.850 CV 1
ASSI { 4100}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 65 and name HD1 ))
5.400 3.000 0.600 peak 4100 weight 0.10000E+01 volume 0.22262E-03 ppm1 8.460 ppm2 3.180 CV 1
OR { 4100}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 65 and name HD2 ))
ASSI { 4104}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 64 and name HG1 ))
5.300 2.600 0.700 peak 4104 weight 0.10000E+01 volume 0.34249E-03 ppm1 8.460 ppm2 2.000 CV 1
ASSI { 4099}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 64 and name HD2 ))
4.900 2.700 1.100 peak 4099 weight 0.10000E+01 volume 0.32146E-03 ppm1 8.460 ppm2 3.600 CV 1
OR { 4099}
(( segid "SH2 " and resid 65 and name HN ))
(( segid "SH2 " and resid 64 and name HD1 ))
ASSI { 3879}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 83 and name HD1 ))
4.700 2.600 1.300 peak 3879 weight 0.10000E+01 volume 0.36652E-03 ppm1 8.700 ppm2 3.090 CV 1
OR { 3879}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 83 and name HD2 ))
ASSI { 4095}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 84 and name HB2 ))
2.600 1.300 1.300 peak 4095 weight 0.10000E+01 volume 0.33949E-02 ppm1 8.700 ppm2 1.590 CV 1
OR { 4095}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 84 and name HB1 ))
ASSI { 4091}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 91 and name HN ))
3.200 1.800 1.800 peak 4091 weight 0.10000E+01 volume 0.11266E-02 ppm1 8.700 ppm2 9.000 CV 1
ASSI { 4097}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 84 and name HG ))
3.500 2.000 2.000 peak 4097 weight 0.10000E+01 volume 0.88629E-03 ppm1 8.700 ppm2 1.200 CV 1
ASSI { 4093}
(( segid "SH2 " and resid 83 and name HA ))
(( segid "SH2 " and resid 84 and name HN ))
2.400 1.200 1.200 peak 4093 weight 0.10000E+01 volume 0.44464E-02 ppm1 4.560 ppm2 8.700 CV 1
ASSI { 4094}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 62 and name HB2 ))
4.600 3.000 1.400 peak 4094 weight 0.10000E+01 volume 0.21932E-03 ppm1 8.710 ppm2 3.870 CV 1
OR { 4094}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 62 and name HB1 ))
ASSI { 3880}
(( segid "SH2 " and resid 84 and name HN ))
(( segid "SH2 " and resid 91 and name HB2 ))
4.100 2.600 1.900 peak 3880 weight 0.10000E+01 volume 0.35150E-03 ppm1 8.700 ppm2 2.410 CV 1
ASSI { 900}
(( segid "SH2 " and resid 35 and name HH22))
(( segid "SH2 " and resid 17 and name HN ))
5.100 2.800 0.900 peak 900 weight 0.10000E+01 volume 0.28300E-03 ppm1 5.920 ppm2 9.240 CV 1
ASSI { 907}
(( segid "SH2 " and resid 16 and name HB1 ))
(( segid "SH2 " and resid 17 and name HN ))
3.100 1.600 1.600 peak 907 weight 0.10000E+01 volume 0.19108E-02 ppm1 4.070 ppm2 9.240 CV 1
OR { 907}
(( segid "SH2 " and resid 16 and name HB2 ))
(( segid "SH2 " and resid 17 and name HN ))
ASSI { 911}
(( segid "SH2 " and resid 17 and name HB1 ))
(( segid "SH2 " and resid 17 and name HN ))
3.500 1.400 1.400 peak 911 weight 0.10000E+01 volume 0.28992E-02 ppm1 1.580 ppm2 9.230 CV 1
ASSI { 2623}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 17 and name HN ))
2.200 1.000 1.000 peak 2623 weight 0.10000E+01 volume 0.82617E-02 ppm1 4.380 ppm2 9.230 CV 1
ASSI { 912}
(( segid "SH2 " and resid 17 and name HB2 ))
(( segid "SH2 " and resid 17 and name HN ))
3.000 2.100 2.100 peak 912 weight 0.10000E+01 volume 0.75406E-03 ppm1 1.250 ppm2 9.240 CV 1
ASSI { 910}
(( segid "SH2 " and resid 17 and name HG1 ))
(( segid "SH2 " and resid 17 and name HN ))
3.000 1.400 1.400 peak 910 weight 0.10000E+01 volume 0.26738E-02 ppm1 2.050 ppm2 9.230 CV 1
OR { 910}
(( segid "SH2 " and resid 17 and name HG2 ))
(( segid "SH2 " and resid 17 and name HN ))
ASSI { 909}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 17 and name HN ))
4.600 2.200 1.400 peak 909 weight 0.10000E+01 volume 0.60688E-03 ppm1 2.840 ppm2 9.240 CV 1
OR { 909}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 17 and name HN ))
ASSI { 4118}
(( segid "SH2 " and resid 11 and name HA ))
(( segid "SH2 " and resid 11 and name HN ))
2.900 1.700 1.700 peak 4118 weight 0.10000E+01 volume 0.14181E-02 ppm1 5.690 ppm2 7.670 CV 1
ASSI { 4114}
(( segid "SH2 " and resid 11 and name HN ))
(( segid "SH2 " and resid 12 and name HN ))
4.100 2.200 1.900 peak 4114 weight 0.10000E+01 volume 0.59788E-03 ppm1 7.670 ppm2 9.350 CV 1
ASSI { 886}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 11 and name HN ))
3.300 1.800 1.800 peak 886 weight 0.10000E+01 volume 0.11446E-02 ppm1 5.070 ppm2 7.670 CV 1
ASSI { 3976}
(( segid "SH2 " and resid 11 and name HN ))
(( segid "SH2 " and resid 10 and name HE3 ))
3.200 1.900 1.900 peak 3976 weight 0.10000E+01 volume 0.10665E-02 ppm1 7.670 ppm2 7.480 CV 1
ASSI { 892}
(( segid "SH2 " and resid 11 and name HB2 ))
(( segid "SH2 " and resid 11 and name HN ))
2.600 1.100 1.100 peak 892 weight 0.10000E+01 volume 0.54077E-02 ppm1 2.460 ppm2 7.670 CV 1
ASSI { 4120}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 11 and name HN ))
4.200 2.300 1.800 peak 4120 weight 0.10000E+01 volume 0.54678E-03 ppm1 3.820 ppm2 7.670 CV 1
ASSI { 4116}
(( segid "SH2 " and resid 11 and name HN ))
(( segid "SH2 " and resid 10 and name HN ))
2.300 1.200 1.200 peak 4116 weight 0.10000E+01 volume 0.50472E-02 ppm1 7.670 ppm2 6.740 CV 1
ASSI { 4122}
(( segid "SH2 " and resid 10 and name HB2 ))
(( segid "SH2 " and resid 11 and name HN ))
4.100 2.400 1.900 peak 4122 weight 0.10000E+01 volume 0.45064E-03 ppm1 3.010 ppm2 7.670 CV 1
ASSI { 4119}
(( segid "SH2 " and resid 11 and name HN ))
(( segid "SH2 " and resid 9 and name HA ))
4.000 1.700 1.700 peak 4119 weight 0.10000E+01 volume 0.13189E-02 ppm1 7.670 ppm2 4.160 CV 1
ASSI { 1697}
(( segid "SH2 " and resid 82 and name HA ))
(( segid "SH2 " and resid 83 and name HN ))
2.900 1.400 1.400 peak 1697 weight 0.10000E+01 volume 0.29682E-02 ppm1 4.360 ppm2 8.260 CV 1
ASSI { 858}
(( segid "SH2 " and resid 93 and name HA ))
(( segid "SH2 " and resid 94 and name HN ))
2.600 1.400 1.400 peak 858 weight 0.10000E+01 volume 0.28420E-02 ppm1 4.570 ppm2 9.380 CV 1
ASSI { 2748}
(( segid "SH2 " and resid 94 and name HA ))
(( segid "SH2 " and resid 94 and name HN ))
2.500 1.400 1.400 peak 2748 weight 0.10000E+01 volume 0.28090E-02 ppm1 4.030 ppm2 9.380 CV 1
ASSI { 861}
(( segid "SH2 " and resid 95 and name HD2 ))
(( segid "SH2 " and resid 94 and name HN ))
2.600 1.500 1.500 peak 861 weight 0.10000E+01 volume 0.19348E-02 ppm1 3.810 ppm2 9.380 CV 1
OR { 861}
(( segid "SH2 " and resid 95 and name HD1 ))
(( segid "SH2 " and resid 94 and name HN ))
ASSI { 3248}
(( segid "SH2 " and resid 94 and name HN ))
( segid "SH2 " and resid 94 and name HD2%)
4.500 2.100 1.500 peak 3248 weight 0.10000E+01 volume 0.70300E-03 ppm1 9.380 ppm2 0.370 CV 1
ASSI { 876}
(( segid "SH2 " and resid 60 and name HB2 ))
(( segid "SH2 " and resid 85 and name HN ))
3.800 2.300 2.200 peak 876 weight 0.10000E+01 volume 0.55279E-03 ppm1 2.540 ppm2 8.970 CV 1
ASSI { 872}
(( segid "SH2 " and resid 85 and name HG2 ))
(( segid "SH2 " and resid 85 and name HN ))
4.100 1.900 1.900 peak 872 weight 0.10000E+01 volume 0.97041E-03 ppm1 1.520 ppm2 8.970 CV 1
OR { 872}
(( segid "SH2 " and resid 85 and name HG1 ))
(( segid "SH2 " and resid 85 and name HN ))
ASSI { 868}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 85 and name HN ))
3.500 1.800 1.800 peak 868 weight 0.10000E+01 volume 0.12858E-02 ppm1 0.730 ppm2 8.980 CV 1
ASSI { 871}
(( segid "SH2 " and resid 85 and name HB2 ))
(( segid "SH2 " and resid 85 and name HN ))
3.100 1.600 1.600 peak 871 weight 0.10000E+01 volume 0.18236E-02 ppm1 1.640 ppm2 8.980 CV 1
ASSI { 1703}
(( segid "SH2 " and resid 85 and name HD2 ))
(( segid "SH2 " and resid 85 and name HN ))
5.300 3.000 0.700 peak 1703 weight 0.10000E+01 volume 0.23764E-03 ppm1 3.160 ppm2 8.970 CV 1
OR { 1703}
(( segid "SH2 " and resid 85 and name HD1 ))
(( segid "SH2 " and resid 85 and name HN ))
ASSI { 3244}
(( segid "SH2 " and resid 94 and name HN ))
(( segid "SH2 " and resid 96 and name HN ))
4.600 2.900 1.400 peak 3244 weight 0.10000E+01 volume 0.25777E-03 ppm1 9.370 ppm2 7.290 CV 1
ASSI { 4126}
(( segid "SH2 " and resid 84 and name HG ))
(( segid "SH2 " and resid 85 and name HN ))
4.500 2.100 1.500 peak 4126 weight 0.10000E+01 volume 0.75406E-03 ppm1 1.200 ppm2 8.970 CV 1
ASSI { 869}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 85 and name HN ))
4.200 1.900 1.800 peak 869 weight 0.10000E+01 volume 0.96135E-03 ppm1 0.900 ppm2 8.980 CV 1
ASSI { 878}
(( segid "SH2 " and resid 86 and name HN ))
(( segid "SH2 " and resid 85 and name HN ))
4.300 2.400 1.700 peak 878 weight 0.10000E+01 volume 0.48670E-03 ppm1 8.600 ppm2 8.970 CV 1
ASSI { 4125}
(( segid "SH2 " and resid 53 and name HN ))
(( segid "SH2 " and resid 51 and name HN ))
3.900 2.300 2.100 peak 4125 weight 0.10000E+01 volume 0.54077E-03 ppm1 8.060 ppm2 8.960 CV 1
ASSI { 847}
(( segid "SH2 " and resid 53 and name HB1 ))
(( segid "SH2 " and resid 53 and name HN ))
3.200 1.500 1.500 peak 847 weight 0.10000E+01 volume 0.20880E-02 ppm1 2.030 ppm2 8.060 CV 1
OR { 847}
(( segid "SH2 " and resid 53 and name HB2 ))
(( segid "SH2 " and resid 53 and name HN ))
ASSI { 842}
(( segid "SH2 " and resid 52 and name HA ))
(( segid "SH2 " and resid 53 and name HN ))
2.800 1.200 1.200 peak 842 weight 0.10000E+01 volume 0.40859E-02 ppm1 4.300 ppm2 8.060 CV 1
ASSI { 3715}
(( segid "SH2 " and resid 53 and name HN ))
(( segid "SH2 " and resid 53 and name HG1 ))
2.500 1.200 1.200 peak 3715 weight 0.10000E+01 volume 0.42060E-02 ppm1 8.060 ppm2 1.670 CV 1
OR { 3715}
(( segid "SH2 " and resid 53 and name HN ))
(( segid "SH2 " and resid 53 and name HG2 ))
ASSI { 3869}
(( segid "SH2 " and resid 50 and name HN ))
(( segid "SH2 " and resid 53 and name HN ))
2.800 1.400 1.400 peak 3869 weight 0.10000E+01 volume 0.29382E-02 ppm1 8.510 ppm2 8.060 CV 1
ASSI { 840}
(( segid "SH2 " and resid 53 and name HA ))
(( segid "SH2 " and resid 53 and name HN ))
2.500 1.200 1.200 peak 840 weight 0.10000E+01 volume 0.48369E-02 ppm1 5.180 ppm2 8.060 CV 1
ASSI { 3290}
(( segid "SH2 " and resid 51 and name HB2 ))
(( segid "SH2 " and resid 53 and name HN ))
4.000 2.000 2.000 peak 3290 weight 0.10000E+01 volume 0.87123E-03 ppm1 2.710 ppm2 8.060 CV 1
ASSI { 1952}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 85 and name HN ))
4.200 2.400 1.800 peak 1952 weight 0.10000E+01 volume 0.46867E-03 ppm1 2.870 ppm2 8.960 CV 1
ASSI { 844}
(( segid "SH2 " and resid 53 and name HD2 ))
(( segid "SH2 " and resid 53 and name HN ))
4.700 2.200 1.300 peak 844 weight 0.10000E+01 volume 0.61288E-03 ppm1 3.200 ppm2 8.060 CV 1
OR { 844}
(( segid "SH2 " and resid 53 and name HD1 ))
(( segid "SH2 " and resid 53 and name HN ))
ASSI { 3289}
(( segid "SH2 " and resid 51 and name HB1 ))
(( segid "SH2 " and resid 53 and name HN ))
4.200 2.100 1.800 peak 3289 weight 0.10000E+01 volume 0.74506E-03 ppm1 3.010 ppm2 8.070 CV 1
ASSI { 1700}
(( segid "SH2 " and resid 62 and name HB1 ))
(( segid "SH2 " and resid 83 and name HN ))
3.200 3.200 2.800 peak 1700 weight 0.10000E+01 volume 0.18446E-02 ppm1 3.850 ppm2 8.260 CV 1
OR { 1700}
(( segid "SH2 " and resid 62 and name HB2 ))
(( segid "SH2 " and resid 83 and name HN ))
ASSI { 1698}
(( segid "SH2 " and resid 83 and name HD1 ))
(( segid "SH2 " and resid 83 and name HN ))
4.700 2.400 1.300 peak 1698 weight 0.10000E+01 volume 0.44163E-03 ppm1 3.090 ppm2 8.260 CV 1
OR { 1698}
(( segid "SH2 " and resid 83 and name HD2 ))
(( segid "SH2 " and resid 83 and name HN ))
ASSI { 2231}
(( segid "SH2 " and resid 52 and name HN ))
(( segid "SH2 " and resid 53 and name HN ))
2.500 1.200 1.200 peak 2231 weight 0.10000E+01 volume 0.39657E-02 ppm1 -0.740 ppm2 8.070 CV 1
ASSI { 4395}
(( segid "SH2 " and resid 54 and name HN ))
( segid "SH2 " and resid 24 and name HD2%)
6.000 3.100 0.000 peak 4395 weight 0.10000E+01 volume 0.20159E-03 ppm1 7.930 ppm2 0.550 CV 1
OR { 4395}
(( segid "SH2 " and resid 54 and name HN ))
( segid "SH2 " and resid 24 and name HD1%)
ASSI { 4394}
(( segid "SH2 " and resid 54 and name HN ))
(( segid "SH2 " and resid 21 and name HA ))
6.000 2.600 0.000 peak 4394 weight 0.10000E+01 volume 0.36052E-03 ppm1 7.920 ppm2 3.510 CV 1
ASSI { 2434}
(( segid "SH2 " and resid 20 and name HN ))
( segid "SH2 " and resid 33 and name HD1%)
5.000 2.400 1.000 peak 2434 weight 0.10000E+01 volume 0.45365E-03 ppm1 8.240 ppm2 -0.100 CV 1
ASSI { 4134}
(( segid "SH2 " and resid 54 and name HN ))
( segid "SH2 " and resid 21 and name HG1%)
5.000 2.100 1.000 peak 4134 weight 0.10000E+01 volume 0.67294E-03 ppm1 7.930 ppm2 1.240 CV 1
ASSI { 811}
(( segid "SH2 " and resid 54 and name HA ))
(( segid "SH2 " and resid 54 and name HN ))
2.700 1.500 1.500 peak 811 weight 0.10000E+01 volume 0.22532E-02 ppm1 4.780 ppm2 7.930 CV 1
ASSI { 3875}
(( segid "SH2 " and resid 55 and name HN ))
(( segid "SH2 " and resid 54 and name HN ))
4.000 2.000 2.000 peak 3875 weight 0.10000E+01 volume 0.79611E-03 ppm1 9.030 ppm2 7.930 CV 1
ASSI { 2998}
(( segid "SH2 " and resid 53 and name HN ))
(( segid "SH2 " and resid 54 and name HN ))
3.700 1.700 1.700 peak 2998 weight 0.10000E+01 volume 0.12979E-02 ppm1 8.060 ppm2 7.930 CV 1
ASSI { 4392}
(( segid "SH2 " and resid 54 and name HN ))
(( segid "SH2 " and resid 50 and name HN ))
4.300 2.500 1.700 peak 4392 weight 0.10000E+01 volume 0.40257E-03 ppm1 7.930 ppm2 8.510 CV 1
ASSI { 4136}
(( segid "SH2 " and resid 54 and name HN ))
(( segid "SH2 " and resid 50 and name HB2 ))
2.500 2.500 3.500 peak 4136 weight 0.10000E+01 volume 0.79917E-02 ppm1 7.930 ppm2 2.020 CV 1
ASSI { 824}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 20 and name HN ))
4.500 2.900 1.500 peak 824 weight 0.10000E+01 volume 0.25176E-03 ppm1 7.340 ppm2 8.250 CV 1
ASSI { 4135}
(( segid "SH2 " and resid 73 and name HN ))
(( segid "SH2 " and resid 72 and name HG1 ))
3.200 3.200 2.800 peak 4135 weight 0.10000E+01 volume 0.69400E-02 ppm1 7.930 ppm2 1.840 CV 1
OR { 4135}
(( segid "SH2 " and resid 73 and name HN ))
(( segid "SH2 " and resid 72 and name HG2 ))
ASSI { 4138}
(( segid "SH2 " and resid 20 and name HN ))
(( segid "SH2 " and resid 17 and name HN ))
4.400 2.800 1.600 peak 4138 weight 0.10000E+01 volume 0.29382E-03 ppm1 8.250 ppm2 9.220 CV 1
ASSI { 4139}
(( segid "SH2 " and resid 20 and name HN ))
(( segid "SH2 " and resid 21 and name HB ))
3.200 3.200 2.800 peak 4139 weight 0.10000E+01 volume 0.34850E-02 ppm1 8.250 ppm2 2.210 CV 1
ASSI { 826}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 20 and name HN ))
3.000 1.700 1.700 peak 826 weight 0.10000E+01 volume 0.15472E-02 ppm1 3.500 ppm2 8.250 CV 1
ASSI { 823}
(( segid "SH2 " and resid 22 and name HN ))
(( segid "SH2 " and resid 20 and name HN ))
3.700 2.200 2.200 peak 823 weight 0.10000E+01 volume 0.58882E-03 ppm1 7.640 ppm2 8.250 CV 1
ASSI { 822}
(( segid "SH2 " and resid 19 and name HN ))
(( segid "SH2 " and resid 20 and name HN ))
2.500 1.200 1.200 peak 822 weight 0.10000E+01 volume 0.42360E-02 ppm1 7.880 ppm2 8.250 CV 1
ASSI { 2433}
(( segid "SH2 " and resid 20 and name HN ))
( segid "SH2 " and resid 23 and name HD1%)
4.100 2.200 1.900 peak 2433 weight 0.10000E+01 volume 0.57682E-03 ppm1 8.250 ppm2 -0.010 CV 1
ASSI { 805}
(( segid "SH2 " and resid 20 and name HN ))
( segid "SH2 " and resid 15 and name HD2%)
3.200 1.600 1.600 peak 805 weight 0.10000E+01 volume 0.16974E-02 ppm1 8.250 ppm2 0.510 CV 1
ASSI { 803}
(( segid "SH2 " and resid 20 and name HN ))
(( segid "SH2 " and resid 15 and name HA ))
3.200 3.200 2.800 peak 803 weight 0.10000E+01 volume 0.42962E-02 ppm1 8.270 ppm2 4.460 CV 1
ASSI { 3934}
(( segid "SH2 " and resid 112 and name HN ))
(( segid "SH2 " and resid 113 and name HB2 ))
4.600 2.400 1.400 peak 3934 weight 0.10000E+01 volume 0.46867E-03 ppm1 9.100 ppm2 2.170 CV 1
ASSI { 3806}
(( segid "SH2 " and resid 112 and name HA ))
(( segid "SH2 " and resid 112 and name HN ))
2.300 1.100 1.100 peak 3806 weight 0.10000E+01 volume 0.63994E-02 ppm1 4.410 ppm2 9.100 CV 1
ASSI { 788}
(( segid "SH2 " and resid 112 and name HB ))
(( segid "SH2 " and resid 112 and name HN ))
2.500 1.300 1.300 peak 788 weight 0.10000E+01 volume 0.38756E-02 ppm1 1.590 ppm2 9.100 CV 1
ASSI { 793}
( segid "SH2 " and resid 111 and name HD1%)
(( segid "SH2 " and resid 112 and name HN ))
5.000 2.400 1.000 peak 793 weight 0.10000E+01 volume 0.44764E-03 ppm1 -0.010 ppm2 9.100 CV 1
ASSI { 4145}
( segid "SH2 " and resid 32 and name HE% )
(( segid "SH2 " and resid 112 and name HN ))
3.400 2.000 2.000 peak 4145 weight 0.10000E+01 volume 0.78711E-03 ppm1 7.620 ppm2 9.100 CV 1
ASSI { 3803}
( segid "SH2 " and resid 32 and name HD% )
(( segid "SH2 " and resid 112 and name HN ))
3.200 2.000 2.000 peak 3803 weight 0.10000E+01 volume 0.78411E-03 ppm1 6.740 ppm2 9.100 CV 1
ASSI { 3933}
(( segid "SH2 " and resid 112 and name HN ))
(( segid "SH2 " and resid 113 and name HA ))
4.600 2.900 1.400 peak 3933 weight 0.10000E+01 volume 0.26078E-03 ppm1 9.100 ppm2 4.990 CV 1
ASSI { 3932}
(( segid "SH2 " and resid 31 and name HA ))
(( segid "SH2 " and resid 112 and name HN ))
4.000 2.500 2.000 peak 3932 weight 0.10000E+01 volume 0.39056E-03 ppm1 5.310 ppm2 9.100 CV 1
ASSI { 3807}
(( segid "SH2 " and resid 30 and name HA1 ))
(( segid "SH2 " and resid 112 and name HN ))
3.200 1.800 1.800 peak 3807 weight 0.10000E+01 volume 0.11356E-02 ppm1 4.750 ppm2 9.090 CV 1
ASSI { 800}
(( segid "SH2 " and resid 80 and name HA ))
(( segid "SH2 " and resid 80 and name HN ))
2.500 1.200 1.200 peak 800 weight 0.10000E+01 volume 0.49270E-02 ppm1 4.730 ppm2 8.440 CV 1
ASSI { 799}
(( segid "SH2 " and resid 80 and name HB2 ))
(( segid "SH2 " and resid 80 and name HN ))
3.100 1.600 1.600 peak 799 weight 0.10000E+01 volume 0.18116E-02 ppm1 3.830 ppm2 8.440 CV 1
ASSI { 795}
(( segid "SH2 " and resid 48 and name HN ))
(( segid "SH2 " and resid 54 and name HA ))
3.800 2.000 2.000 peak 795 weight 0.10000E+01 volume 0.84423E-03 ppm1 8.780 ppm2 4.780 CV 1
ASSI { 801}
(( segid "SH2 " and resid 80 and name HN ))
(( segid "SH2 " and resid 79 and name HB ))
4.100 2.100 1.900 peak 801 weight 0.10000E+01 volume 0.75406E-03 ppm1 8.440 ppm2 2.040 CV 1
ASSI { 802}
(( segid "SH2 " and resid 80 and name HN ))
( segid "SH2 " and resid 79 and name HG1%)
3.900 1.900 1.900 peak 802 weight 0.10000E+01 volume 0.92835E-03 ppm1 8.440 ppm2 0.890 CV 1
OR { 802}
(( segid "SH2 " and resid 80 and name HN ))
( segid "SH2 " and resid 79 and name HG2%)
ASSI { 794}
(( segid "SH2 " and resid 32 and name HA ))
(( segid "SH2 " and resid 48 and name HN ))
4.400 2.600 1.600 peak 794 weight 0.10000E+01 volume 0.36052E-03 ppm1 5.980 ppm2 8.790 CV 1
ASSI { 4147}
(( segid "SH2 " and resid 48 and name HN ))
( segid "SH2 " and resid 20 and name HB% )
4.500 2.500 1.500 peak 4147 weight 0.10000E+01 volume 0.39056E-03 ppm1 8.780 ppm2 1.420 CV 1
ASSI { 4148}
(( segid "SH2 " and resid 48 and name HN ))
( segid "SH2 " and resid 54 and name HG2%)
2.800 1.500 1.500 peak 4148 weight 0.10000E+01 volume 0.22562E-02 ppm1 8.780 ppm2 0.380 CV 1
ASSI { 1345}
(( segid "SH2 " and resid 56 and name HA ))
(( segid "SH2 " and resid 48 and name HN ))
3.600 1.600 1.600 peak 1345 weight 0.10000E+01 volume 0.16734E-02 ppm1 4.970 ppm2 8.780 CV 1
ASSI { 766}
(( segid "SH2 " and resid 47 and name HB1 ))
(( segid "SH2 " and resid 48 and name HN ))
3.200 1.800 1.800 peak 766 weight 0.10000E+01 volume 0.11566E-02 ppm1 3.510 ppm2 8.780 CV 1
ASSI { 3571}
(( segid "SH2 " and resid 55 and name HB2 ))
(( segid "SH2 " and resid 48 and name HN ))
4.200 2.300 1.800 peak 3571 weight 0.10000E+01 volume 0.56782E-03 ppm1 3.210 ppm2 8.780 CV 1
ASSI { 764}
(( segid "SH2 " and resid 48 and name HB ))
(( segid "SH2 " and resid 48 and name HN ))
3.200 1.600 1.600 peak 764 weight 0.10000E+01 volume 0.15893E-02 ppm1 1.840 ppm2 8.780 CV 1
ASSI { 3573}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 48 and name HN ))
3.600 1.700 1.700 peak 3573 weight 0.10000E+01 volume 0.13730E-02 ppm1 0.550 ppm2 8.780 CV 1
ASSI { 2491}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 48 and name HN ))
3.300 2.600 2.600 peak 2491 weight 0.10000E+01 volume 0.38155E-03 ppm1 6.380 ppm2 8.780 CV 1
ASSI { 767}
(( segid "SH2 " and resid 55 and name HB1 ))
(( segid "SH2 " and resid 48 and name HN ))
3.500 2.100 2.100 peak 767 weight 0.10000E+01 volume 0.71805E-03 ppm1 3.650 ppm2 8.790 CV 1
ASSI { 768}
(( segid "SH2 " and resid 55 and name HA ))
(( segid "SH2 " and resid 48 and name HN ))
4.500 2.800 1.500 peak 768 weight 0.10000E+01 volume 0.29352E-03 ppm1 4.500 ppm2 8.780 CV 1
ASSI { 1772}
(( segid "SH2 " and resid 25 and name HG2 ))
(( segid "SH2 " and resid 25 and name HN ))
3.500 1.500 1.500 peak 1772 weight 0.10000E+01 volume 0.22863E-02 ppm1 2.380 ppm2 8.680 CV 1
OR { 1772}
(( segid "SH2 " and resid 25 and name HG1 ))
(( segid "SH2 " and resid 25 and name HN ))
ASSI { 3482}
(( segid "SH2 " and resid 26 and name HN ))
(( segid "SH2 " and resid 25 and name HN ))
4.200 1.800 1.800 peak 3482 weight 0.10000E+01 volume 0.10936E-02 ppm1 8.960 ppm2 8.680 CV 1
ASSI { 3485}
(( segid "SH2 " and resid 24 and name HA ))
(( segid "SH2 " and resid 25 and name HN ))
3.100 1.700 1.700 peak 3485 weight 0.10000E+01 volume 0.14391E-02 ppm1 4.170 ppm2 8.680 CV 1
ASSI { 4156}
(( segid "SH2 " and resid 25 and name HN ))
( segid "SH2 " and resid 21 and name HG1%)
4.000 2.400 2.000 peak 4156 weight 0.10000E+01 volume 0.43863E-03 ppm1 8.680 ppm2 1.240 CV 1
ASSI { 1773}
(( segid "SH2 " and resid 25 and name HB2 ))
(( segid "SH2 " and resid 25 and name HN ))
2.300 1.000 1.000 peak 1773 weight 0.10000E+01 volume 0.73005E-02 ppm1 2.150 ppm2 8.680 CV 1
OR { 1773}
(( segid "SH2 " and resid 25 and name HB1 ))
(( segid "SH2 " and resid 25 and name HN ))
ASSI { 776}
(( segid "SH2 " and resid 24 and name HN ))
(( segid "SH2 " and resid 25 and name HN ))
2.200 1.100 1.100 peak 776 weight 0.10000E+01 volume 0.65194E-02 ppm1 7.390 ppm2 8.680 CV 1
ASSI { 1775}
(( segid "SH2 " and resid 24 and name HB1 ))
(( segid "SH2 " and resid 25 and name HN ))
3.200 1.600 1.600 peak 1775 weight 0.10000E+01 volume 0.17906E-02 ppm1 1.710 ppm2 8.680 CV 1
ASSI { 2274}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 25 and name HN ))
4.100 1.800 1.800 peak 2274 weight 0.10000E+01 volume 0.11837E-02 ppm1 0.550 ppm2 8.680 CV 1
ASSI { 4158}
(( segid "SH2 " and resid 25 and name HN ))
(( segid "SH2 " and resid 54 and name HB ))
2.600 2.600 3.400 peak 4158 weight 0.10000E+01 volume 0.62488E-02 ppm1 8.680 ppm2 1.940 CV 1
ASSI { 3483}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 25 and name HN ))
2.600 1.300 1.300 peak 3483 weight 0.10000E+01 volume 0.37554E-02 ppm1 3.900 ppm2 8.680 CV 1
ASSI { 3484}
(( segid "SH2 " and resid 22 and name HA ))
(( segid "SH2 " and resid 25 and name HN ))
3.400 1.800 1.800 peak 3484 weight 0.10000E+01 volume 0.12588E-02 ppm1 4.040 ppm2 8.680 CV 1
ASSI { 4160}
(( segid "SH2 " and resid 25 and name HN ))
( segid "SH2 " and resid 54 and name HG2%)
4.600 2.200 1.400 peak 4160 weight 0.10000E+01 volume 0.59788E-03 ppm1 8.680 ppm2 0.380 CV 1
ASSI { 2486}
(( segid "SH2 " and resid 72 and name HA ))
(( segid "SH2 " and resid 73 and name HN ))
3.600 2.400 2.400 peak 2486 weight 0.10000E+01 volume 0.47468E-03 ppm1 4.410 ppm2 7.960 CV 1
ASSI { 2996}
(( segid "SH2 " and resid 56 and name HN ))
(( segid "SH2 " and resid 48 and name HN ))
4.600 2.700 1.400 peak 2996 weight 0.10000E+01 volume 0.30343E-03 ppm1 8.500 ppm2 8.800 CV 1
ASSI { 703}
(( segid "SH2 " and resid 56 and name HE1 ))
(( segid "SH2 " and resid 56 and name HN ))
3.500 1.700 1.700 peak 703 weight 0.10000E+01 volume 0.14661E-02 ppm1 7.020 ppm2 8.490 CV 1
ASSI { 755}
(( segid "SH2 " and resid 56 and name HB1 ))
(( segid "SH2 " and resid 56 and name HN ))
3.100 1.600 1.600 peak 755 weight 0.10000E+01 volume 0.17275E-02 ppm1 3.060 ppm2 8.490 CV 1
ASSI { 754}
(( segid "SH2 " and resid 55 and name HA ))
(( segid "SH2 " and resid 56 and name HN ))
2.300 1.000 1.000 peak 754 weight 0.10000E+01 volume 0.75406E-02 ppm1 4.500 ppm2 8.490 CV 1
ASSI { 4174}
(( segid "SH2 " and resid 56 and name HN ))
(( segid "SH2 " and resid 56 and name HD2 ))
3.300 1.700 1.700 peak 4174 weight 0.10000E+01 volume 0.14661E-02 ppm1 8.490 ppm2 7.020 CV 1
ASSI { 707}
(( segid "SH2 " and resid 47 and name HA ))
(( segid "SH2 " and resid 56 and name HN ))
4.600 2.500 1.400 peak 707 weight 0.10000E+01 volume 0.39056E-03 ppm1 5.750 ppm2 8.500 CV 1
ASSI { 709}
(( segid "SH2 " and resid 55 and name HB2 ))
(( segid "SH2 " and resid 56 and name HN ))
3.900 1.600 1.600 peak 709 weight 0.10000E+01 volume 0.16193E-02 ppm1 3.210 ppm2 8.490 CV 1
ASSI { 710}
(( segid "SH2 " and resid 56 and name HB2 ))
(( segid "SH2 " and resid 56 and name HN ))
3.500 1.900 1.900 peak 710 weight 0.10000E+01 volume 0.10755E-02 ppm1 2.720 ppm2 8.490 CV 1
ASSI { 2744}
(( segid "SH2 " and resid 56 and name HN ))
( segid "SH2 " and resid 45 and name HG1%)
4.500 2.200 1.500 peak 2744 weight 0.10000E+01 volume 0.61288E-03 ppm1 8.500 ppm2 1.210 CV 1
ASSI { 704}
( segid "SH2 " and resid 57 and name HD% )
(( segid "SH2 " and resid 56 and name HN ))
4.600 3.000 1.400 peak 704 weight 0.10000E+01 volume 0.22472E-03 ppm1 6.710 ppm2 8.500 CV 1
ASSI { 708}
(( segid "SH2 " and resid 55 and name HB1 ))
(( segid "SH2 " and resid 56 and name HN ))
3.500 2.000 2.000 peak 708 weight 0.10000E+01 volume 0.78111E-03 ppm1 3.660 ppm2 8.480 CV 1
ASSI { 706}
( segid "SH2 " and resid 57 and name HE% )
(( segid "SH2 " and resid 56 and name HN ))
4.500 2.800 1.500 peak 706 weight 0.10000E+01 volume 0.29773E-03 ppm1 6.390 ppm2 8.490 CV 1
ASSI { 3911}
(( segid "SH2 " and resid 100 and name HN ))
( segid "SH2 " and resid 97 and name HD2%)
5.000 2.900 1.000 peak 3911 weight 0.10000E+01 volume 0.26558E-03 ppm1 7.530 ppm2 0.510 CV 1
ASSI { 727}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 100 and name HN ))
3.800 2.300 2.200 peak 727 weight 0.10000E+01 volume 0.56481E-03 ppm1 3.360 ppm2 7.540 CV 1
ASSI { 4167}
( segid "SH2 " and resid 100 and name HD% )
(( segid "SH2 " and resid 100 and name HN ))
5.000 2.300 1.000 peak 4167 weight 0.10000E+01 volume 0.53777E-03 ppm1 5.720 ppm2 7.540 CV 1
ASSI { 3057}
( segid "SH2 " and resid 91 and name HD% )
(( segid "SH2 " and resid 100 and name HN ))
3.900 1.900 1.900 peak 3057 weight 0.10000E+01 volume 0.10545E-02 ppm1 6.880 ppm2 7.540 CV 1
ASSI { 3056}
( segid "SH2 " and resid 91 and name HE% )
(( segid "SH2 " and resid 100 and name HN ))
4.300 2.000 1.700 peak 3056 weight 0.10000E+01 volume 0.78711E-03 ppm1 7.020 ppm2 7.540 CV 1
ASSI { 728}
(( segid "SH2 " and resid 100 and name HB2 ))
(( segid "SH2 " and resid 100 and name HN ))
2.300 1.100 1.100 peak 728 weight 0.10000E+01 volume 0.58882E-02 ppm1 2.920 ppm2 7.540 CV 1
ASSI { 3912}
(( segid "SH2 " and resid 99 and name HB1 ))
(( segid "SH2 " and resid 100 and name HN ))
2.500 1.200 1.200 peak 3912 weight 0.10000E+01 volume 0.44163E-02 ppm1 1.990 ppm2 7.540 CV 1
OR { 3912}
(( segid "SH2 " and resid 99 and name HB2 ))
(( segid "SH2 " and resid 100 and name HN ))
ASSI { 1901}
(( segid "SH2 " and resid 21 and name HN ))
(( segid "SH2 " and resid 19 and name HN ))
3.500 2.000 2.000 peak 1901 weight 0.10000E+01 volume 0.90129E-03 ppm1 8.370 ppm2 7.880 CV 1
ASSI { 719}
(( segid "SH2 " and resid 99 and name HN ))
(( segid "SH2 " and resid 100 and name HN ))
2.500 1.300 1.300 peak 719 weight 0.10000E+01 volume 0.36652E-02 ppm1 7.780 ppm2 7.540 CV 1
ASSI { 726}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 100 and name HN ))
3.200 1.700 1.700 peak 726 weight 0.10000E+01 volume 0.14361E-02 ppm1 3.690 ppm2 7.540 CV 1
ASSI { 718}
(( segid "SH2 " and resid 16 and name HN ))
(( segid "SH2 " and resid 19 and name HN ))
4.200 2.000 1.800 peak 718 weight 0.10000E+01 volume 0.79311E-03 ppm1 8.940 ppm2 7.880 CV 1
ASSI { 743}
(( segid "SH2 " and resid 19 and name HA ))
(( segid "SH2 " and resid 19 and name HN ))
2.500 1.200 1.200 peak 743 weight 0.10000E+01 volume 0.45365E-02 ppm1 3.960 ppm2 7.880 CV 1
ASSI { 1898}
(( segid "SH2 " and resid 19 and name HN ))
(( segid "SH2 " and resid 21 and name HB ))
2.600 2.600 3.400 peak 1898 weight 0.10000E+01 volume 0.75706E-02 ppm1 7.880 ppm2 2.220 CV 1
ASSI { 4173}
(( segid "SH2 " and resid 18 and name HG1 ))
(( segid "SH2 " and resid 19 and name HN ))
4.300 2.000 1.700 peak 4173 weight 0.10000E+01 volume 0.88929E-03 ppm1 2.410 ppm2 7.880 CV 1
OR { 4173}
(( segid "SH2 " and resid 18 and name HG2 ))
(( segid "SH2 " and resid 19 and name HN ))
ASSI { 2429}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 19 and name HN ))
3.900 2.500 2.100 peak 2429 weight 0.10000E+01 volume 0.42360E-03 ppm1 3.500 ppm2 7.880 CV 1
ASSI { 714}
(( segid "SH2 " and resid 17 and name HN ))
(( segid "SH2 " and resid 19 and name HN ))
4.200 2.600 1.800 peak 714 weight 0.10000E+01 volume 0.36352E-03 ppm1 9.240 ppm2 7.880 CV 1
ASSI { 744}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 19 and name HN ))
3.900 1.900 1.900 peak 744 weight 0.10000E+01 volume 0.94635E-03 ppm1 4.380 ppm2 7.880 CV 1
ASSI { 4171}
(( segid "SH2 " and resid 19 and name HN ))
( segid "SH2 " and resid 15 and name HD1%)
4.800 2.000 1.200 peak 4171 weight 0.10000E+01 volume 0.82617E-03 ppm1 7.880 ppm2 1.020 CV 1
ASSI { 2430}
(( segid "SH2 " and resid 19 and name HN ))
(( segid "SH2 " and resid 17 and name HB2 ))
4.900 2.900 1.100 peak 2430 weight 0.10000E+01 volume 0.26288E-03 ppm1 7.880 ppm2 1.250 CV 1
ASSI { 3581}
(( segid "SH2 " and resid 32 and name HB2 ))
(( segid "SH2 " and resid 49 and name HN ))
5.000 2.400 1.000 peak 3581 weight 0.10000E+01 volume 0.46867E-03 ppm1 2.660 ppm2 8.620 CV 1
ASSI { 3580}
(( segid "SH2 " and resid 32 and name HB1 ))
(( segid "SH2 " and resid 49 and name HN ))
4.200 2.400 1.800 peak 3580 weight 0.10000E+01 volume 0.46567E-03 ppm1 3.230 ppm2 8.630 CV 1
ASSI { 3585}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 49 and name HN ))
4.000 4.000 2.000 peak 3585 weight 0.10000E+01 volume 0.22983E-02 ppm1 0.550 ppm2 8.620 CV 1
ASSI { 3583}
(( segid "SH2 " and resid 48 and name HA ))
(( segid "SH2 " and resid 49 and name HN ))
2.200 1.100 1.100 peak 3583 weight 0.10000E+01 volume 0.54077E-02 ppm1 5.000 ppm2 8.620 CV 1
ASSI { 3586}
(( segid "SH2 " and resid 49 and name HN ))
( segid "SH2 " and resid 54 and name HG2%)
4.500 2.200 1.500 peak 3586 weight 0.10000E+01 volume 0.57982E-03 ppm1 8.620 ppm2 0.380 CV 1
ASSI { 3582}
(( segid "SH2 " and resid 48 and name HB ))
(( segid "SH2 " and resid 49 and name HN ))
3.400 1.900 1.900 peak 3582 weight 0.10000E+01 volume 0.99441E-03 ppm1 1.830 ppm2 8.620 CV 1
ASSI { 3584}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 49 and name HN ))
2.800 1.200 1.200 peak 3584 weight 0.10000E+01 volume 0.39957E-02 ppm1 0.900 ppm2 8.620 CV 1
ASSI { 693}
(( segid "SH2 " and resid 49 and name HB1 ))
(( segid "SH2 " and resid 49 and name HN ))
2.500 1.400 1.400 peak 693 weight 0.10000E+01 volume 0.28541E-02 ppm1 4.370 ppm2 8.620 CV 1
ASSI { 3576}
(( segid "SH2 " and resid 30 and name HN ))
(( segid "SH2 " and resid 49 and name HN ))
3.600 2.200 2.200 peak 3576 weight 0.10000E+01 volume 0.59488E-03 ppm1 9.410 ppm2 8.620 CV 1
ASSI { 3578}
(( segid "SH2 " and resid 49 and name HA ))
(( segid "SH2 " and resid 49 and name HN ))
2.800 1.600 1.600 peak 3578 weight 0.10000E+01 volume 0.18386E-02 ppm1 4.820 ppm2 8.620 CV 1
ASSI { 3579}
(( segid "SH2 " and resid 49 and name HB2 ))
(( segid "SH2 " and resid 49 and name HN ))
2.500 1.400 1.400 peak 3579 weight 0.10000E+01 volume 0.29442E-02 ppm1 3.950 ppm2 8.620 CV 1
ASSI { 4179}
(( segid "SH2 " and resid 49 and name HN ))
(( segid "SH2 " and resid 31 and name HB ))
4.700 2.200 1.300 peak 4179 weight 0.10000E+01 volume 0.63994E-03 ppm1 8.620 ppm2 2.100 CV 1
ASSI { 686}
(( segid "SH2 " and resid 60 and name HB2 ))
(( segid "SH2 " and resid 61 and name HN ))
4.600 2.200 1.400 peak 686 weight 0.10000E+01 volume 0.66094E-03 ppm1 2.540 ppm2 9.080 CV 1
ASSI { 685}
(( segid "SH2 " and resid 60 and name HD22))
(( segid "SH2 " and resid 61 and name HN ))
5.700 2.900 0.300 peak 685 weight 0.10000E+01 volume 0.24125E-03 ppm1 6.710 ppm2 9.080 CV 1
ASSI { 684}
(( segid "SH2 " and resid 44 and name HN ))
(( segid "SH2 " and resid 61 and name HN ))
4.600 2.700 1.400 peak 684 weight 0.10000E+01 volume 0.30945E-03 ppm1 8.760 ppm2 9.080 CV 1
ASSI { 671}
(( segid "SH2 " and resid 60 and name HA ))
(( segid "SH2 " and resid 61 and name HN ))
2.400 1.100 1.100 peak 671 weight 0.10000E+01 volume 0.57982E-02 ppm1 4.830 ppm2 9.080 CV 1
ASSI { 668}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 61 and name HN ))
3.100 1.800 1.800 peak 668 weight 0.10000E+01 volume 0.11506E-02 ppm1 2.880 ppm2 9.080 CV 1
ASSI { 670}
(( segid "SH2 " and resid 61 and name HB1 ))
(( segid "SH2 " and resid 61 and name HN ))
2.900 1.600 1.600 peak 670 weight 0.10000E+01 volume 0.17005E-02 ppm1 4.030 ppm2 9.080 CV 1
ASSI { 674}
(( segid "SH2 " and resid 62 and name HN ))
(( segid "SH2 " and resid 61 and name HN ))
4.400 2.200 1.600 peak 674 weight 0.10000E+01 volume 0.58282E-03 ppm1 8.590 ppm2 9.080 CV 1
ASSI { 669}
(( segid "SH2 " and resid 61 and name HB2 ))
(( segid "SH2 " and resid 61 and name HN ))
3.400 1.700 1.700 peak 669 weight 0.10000E+01 volume 0.13309E-02 ppm1 3.890 ppm2 9.080 CV 1
ASSI { 672}
(( segid "SH2 " and resid 61 and name HA ))
(( segid "SH2 " and resid 61 and name HN ))
2.900 1.500 1.500 peak 672 weight 0.10000E+01 volume 0.23433E-02 ppm1 5.080 ppm2 9.080 CV 1
ASSI { 4185}
(( segid "SH2 " and resid 61 and name HN ))
( segid "SH2 " and resid 84 and name HD2%)
4.800 2.900 1.200 peak 4185 weight 0.10000E+01 volume 0.25837E-03 ppm1 9.080 ppm2 0.890 CV 1
ASSI { 676}
(( segid "SH2 " and resid 29 and name HB2 ))
(( segid "SH2 " and resid 29 and name HN ))
2.300 1.100 1.100 peak 676 weight 0.10000E+01 volume 0.63694E-02 ppm1 3.130 ppm2 8.170 CV 1
OR { 676}
(( segid "SH2 " and resid 29 and name HB1 ))
(( segid "SH2 " and resid 29 and name HN ))
ASSI { 679}
(( segid "SH2 " and resid 29 and name HD2 ))
(( segid "SH2 " and resid 29 and name HN ))
2.800 1.600 1.600 peak 679 weight 0.10000E+01 volume 0.18296E-02 ppm1 7.060 ppm2 8.170 CV 1
ASSI { 3116}
(( segid "SH2 " and resid 28 and name HA ))
(( segid "SH2 " and resid 29 and name HN ))
1.900 0.800 0.800 peak 3116 weight 0.10000E+01 volume 0.16734E-01 ppm1 3.960 ppm2 8.170 CV 1
ASSI { 3119}
(( segid "SH2 " and resid 29 and name HN ))
(( segid "SH2 " and resid 28 and name HB1 ))
3.000 1.100 1.100 peak 3119 weight 0.10000E+01 volume 0.53777E-02 ppm1 8.170 ppm2 1.780 CV 1
ASSI { 682}
(( segid "SH2 " and resid 30 and name HN ))
(( segid "SH2 " and resid 29 and name HN ))
3.900 1.900 1.900 peak 682 weight 0.10000E+01 volume 0.10004E-02 ppm1 9.420 ppm2 8.170 CV 1
ASSI { 4189}
(( segid "SH2 " and resid 29 and name HN ))
(( segid "SH2 " and resid 51 and name HA ))
4.300 2.200 1.700 peak 4189 weight 0.10000E+01 volume 0.57682E-03 ppm1 8.170 ppm2 4.220 CV 1
ASSI { 4186}
(( segid "SH2 " and resid 22 and name HN ))
( segid "SH2 " and resid 23 and name HD2%)
5.200 2.500 0.800 peak 4186 weight 0.10000E+01 volume 0.38455E-03 ppm1 7.650 ppm2 0.670 CV 1
ASSI { 652}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 22 and name HN ))
2.500 1.300 1.300 peak 652 weight 0.10000E+01 volume 0.36052E-02 ppm1 7.340 ppm2 7.650 CV 1
ASSI { 2730}
(( segid "SH2 " and resid 21 and name HN ))
(( segid "SH2 " and resid 22 and name HN ))
2.500 1.200 1.200 peak 2730 weight 0.10000E+01 volume 0.42661E-02 ppm1 8.360 ppm2 7.650 CV 1
ASSI { 2895}
(( segid "SH2 " and resid 22 and name HN ))
( segid "SH2 " and resid 21 and name HG2%)
3.500 1.300 1.300 peak 2895 weight 0.10000E+01 volume 0.32747E-02 ppm1 7.650 ppm2 0.980 CV 1
ASSI { 3233}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 22 and name HN ))
3.400 1.500 1.500 peak 3233 weight 0.10000E+01 volume 0.21661E-02 ppm1 1.240 ppm2 7.650 CV 1
ASSI { 3232}
(( segid "SH2 " and resid 22 and name HN ))
(( segid "SH2 " and resid 20 and name HA ))
3.900 2.300 2.100 peak 3232 weight 0.10000E+01 volume 0.51674E-03 ppm1 7.650 ppm2 3.780 CV 1
ASSI { 2465}
(( segid "SH2 " and resid 22 and name HN ))
( segid "SH2 " and resid 23 and name HD1%)
4.900 2.800 1.100 peak 2465 weight 0.10000E+01 volume 0.29022E-03 ppm1 7.650 ppm2 0.000 CV 1
ASSI { 2208}
(( segid "SH2 " and resid 22 and name HN ))
(( segid "SH2 " and resid 19 and name HN ))
3.600 2.000 2.000 peak 2208 weight 0.10000E+01 volume 0.79011E-03 ppm1 7.650 ppm2 7.890 CV 1
ASSI { 3686}
(( segid "SH2 " and resid 35 and name HN ))
(( segid "SH2 " and resid 34 and name HN ))
4.300 2.200 1.700 peak 3686 weight 0.10000E+01 volume 0.58882E-03 ppm1 9.590 ppm2 9.350 CV 1
ASSI { 640}
( segid "SH2 " and resid 33 and name HD1%)
(( segid "SH2 " and resid 34 and name HN ))
3.000 1.700 1.700 peak 640 weight 0.10000E+01 volume 0.14541E-02 ppm1 0.630 ppm2 9.350 CV 1
ASSI { 631}
(( segid "SH2 " and resid 33 and name HA ))
(( segid "SH2 " and resid 34 and name HN ))
2.200 1.200 1.200 peak 631 weight 0.10000E+01 volume 0.48670E-02 ppm1 4.780 ppm2 9.350 CV 1
ASSI { 3630}
(( segid "SH2 " and resid 34 and name HN ))
( segid "SH2 " and resid 44 and name HD% )
5.100 2.200 0.900 peak 3630 weight 0.10000E+01 volume 0.60988E-03 ppm1 9.350 ppm2 7.060 CV 1
ASSI { 3684}
(( segid "SH2 " and resid 11 and name HA ))
(( segid "SH2 " and resid 34 and name HN ))
3.700 1.900 1.900 peak 3684 weight 0.10000E+01 volume 0.10365E-02 ppm1 5.680 ppm2 9.350 CV 1
ASSI { 3626}
(( segid "SH2 " and resid 34 and name HB ))
(( segid "SH2 " and resid 34 and name HN ))
2.600 1.400 1.400 peak 3626 weight 0.10000E+01 volume 0.25416E-02 ppm1 2.710 ppm2 9.350 CV 1
ASSI { 636}
(( segid "SH2 " and resid 33 and name HB2 ))
(( segid "SH2 " and resid 34 and name HN ))
2.900 1.400 1.400 peak 636 weight 0.10000E+01 volume 0.26798E-02 ppm1 1.790 ppm2 9.350 CV 1
OR { 636}
(( segid "SH2 " and resid 33 and name HB1 ))
(( segid "SH2 " and resid 34 and name HN ))
ASSI { 644}
(( segid "SH2 " and resid 61 and name HA ))
(( segid "SH2 " and resid 62 and name HN ))
2.600 1.300 1.300 peak 644 weight 0.10000E+01 volume 0.34249E-02 ppm1 5.080 ppm2 8.590 CV 1
ASSI { 645}
(( segid "SH2 " and resid 62 and name HA ))
(( segid "SH2 " and resid 62 and name HN ))
3.300 1.900 1.900 peak 645 weight 0.10000E+01 volume 0.10215E-02 ppm1 4.630 ppm2 8.590 CV 1
ASSI { 630}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 34 and name HN ))
4.200 2.700 1.800 peak 630 weight 0.10000E+01 volume 0.33047E-03 ppm1 5.060 ppm2 9.350 CV 1
ASSI { 3624}
(( segid "SH2 " and resid 34 and name HN ))
( segid "SH2 " and resid 115 and name HG2%)
5.200 2.500 0.800 peak 3624 weight 0.10000E+01 volume 0.43562E-03 ppm1 9.360 ppm2 0.810 CV 1
ASSI { 2460}
(( segid "SH2 " and resid 90 and name HN ))
(( segid "SH2 " and resid 86 and name HN ))
4.300 2.200 1.700 peak 2460 weight 0.10000E+01 volume 0.58282E-03 ppm1 7.650 ppm2 8.600 CV 1
ASSI { 2899}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 34 and name HN ))
4.700 2.400 1.300 peak 2899 weight 0.10000E+01 volume 0.46266E-03 ppm1 3.780 ppm2 9.360 CV 1
ASSI { 3625}
(( segid "SH2 " and resid 10 and name HB2 ))
(( segid "SH2 " and resid 34 and name HN ))
3.800 2.700 2.200 peak 3625 weight 0.10000E+01 volume 0.30945E-03 ppm1 3.030 ppm2 9.360 CV 1
ASSI { 660}
(( segid "SH2 " and resid 90 and name HG1 ))
(( segid "SH2 " and resid 90 and name HN ))
2.600 1.300 1.300 peak 660 weight 0.10000E+01 volume 0.36953E-02 ppm1 1.970 ppm2 7.650 CV 1
ASSI { 661}
(( segid "SH2 " and resid 90 and name HB2 ))
(( segid "SH2 " and resid 90 and name HN ))
2.400 1.100 1.100 peak 661 weight 0.10000E+01 volume 0.51974E-02 ppm1 1.630 ppm2 7.660 CV 1
ASSI { 3890}
( segid "SH2 " and resid 91 and name HD% )
(( segid "SH2 " and resid 90 and name HN ))
3.900 2.400 2.100 peak 3890 weight 0.10000E+01 volume 0.45966E-03 ppm1 6.890 ppm2 7.660 CV 1
ASSI { 3664}
(( segid "SH2 " and resid 37 and name HN ))
(( segid "SH2 " and resid 43 and name HN ))
3.800 2.400 2.200 peak 3664 weight 0.10000E+01 volume 0.45966E-03 ppm1 8.050 ppm2 7.770 CV 1
ASSI { 609}
(( segid "SH2 " and resid 42 and name HA2 ))
(( segid "SH2 " and resid 43 and name HN ))
3.200 1.700 1.700 peak 609 weight 0.10000E+01 volume 0.13369E-02 ppm1 3.490 ppm2 7.780 CV 1
ASSI { 612}
(( segid "SH2 " and resid 43 and name HB2 ))
(( segid "SH2 " and resid 43 and name HN ))
2.600 1.300 1.300 peak 612 weight 0.10000E+01 volume 0.34249E-02 ppm1 2.750 ppm2 7.780 CV 1
ASSI { 617}
(( segid "SH2 " and resid 42 and name HN ))
(( segid "SH2 " and resid 43 and name HN ))
2.700 1.300 1.300 peak 617 weight 0.10000E+01 volume 0.34549E-02 ppm1 8.730 ppm2 7.780 CV 1
ASSI { 606}
(( segid "SH2 " and resid 43 and name HA ))
(( segid "SH2 " and resid 43 and name HN ))
2.900 1.500 1.500 peak 606 weight 0.10000E+01 volume 0.22773E-02 ppm1 5.070 ppm2 7.780 CV 1
ASSI { 611}
(( segid "SH2 " and resid 43 and name HB1 ))
(( segid "SH2 " and resid 43 and name HN ))
3.600 1.500 1.500 peak 611 weight 0.10000E+01 volume 0.19889E-02 ppm1 2.980 ppm2 7.780 CV 1
ASSI { 3324}
(( segid "SH2 " and resid 43 and name HN ))
(( segid "SH2 " and resid 61 and name HB2 ))
3.700 3.700 2.300 peak 3324 weight 0.10000E+01 volume 0.10425E-02 ppm1 7.780 ppm2 3.870 CV 1
ASSI { 1826}
(( segid "SH2 " and resid 43 and name HN ))
( segid "SH2 " and resid 44 and name HD% )
4.800 3.000 1.200 peak 1826 weight 0.10000E+01 volume 0.21901E-03 ppm1 7.780 ppm2 7.050 CV 1
ASSI { 3096}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 85 and name HA ))
4.600 2.500 1.400 peak 3096 weight 0.10000E+01 volume 0.42060E-03 ppm1 8.270 ppm2 5.330 CV 1
ASSI { 3356}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 88 and name HB2 ))
4.200 2.000 1.800 peak 3356 weight 0.10000E+01 volume 0.84423E-03 ppm1 8.280 ppm2 2.710 CV 1
ASSI { 593}
(( segid "SH2 " and resid 87 and name HA2 ))
(( segid "SH2 " and resid 89 and name HN ))
4.100 2.000 1.900 peak 593 weight 0.10000E+01 volume 0.91029E-03 ppm1 3.760 ppm2 8.280 CV 1
ASSI { 596}
(( segid "SH2 " and resid 89 and name HG1 ))
(( segid "SH2 " and resid 89 and name HN ))
3.100 1.300 1.300 peak 596 weight 0.10000E+01 volume 0.30343E-02 ppm1 2.190 ppm2 8.280 CV 1
OR { 596}
(( segid "SH2 " and resid 89 and name HG2 ))
(( segid "SH2 " and resid 89 and name HN ))
ASSI { 3888}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 85 and name HG2 ))
2.900 2.900 3.100 peak 3888 weight 0.10000E+01 volume 0.30945E-02 ppm1 8.280 ppm2 1.490 CV 1
OR { 3888}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 85 and name HG1 ))
ASSI { 591}
(( segid "SH2 " and resid 89 and name HA ))
(( segid "SH2 " and resid 89 and name HN ))
2.700 1.300 1.300 peak 591 weight 0.10000E+01 volume 0.34249E-02 ppm1 4.170 ppm2 8.280 CV 1
ASSI { 590}
(( segid "SH2 " and resid 88 and name HA ))
(( segid "SH2 " and resid 89 and name HN ))
3.000 1.400 1.400 peak 590 weight 0.10000E+01 volume 0.23975E-02 ppm1 4.670 ppm2 8.270 CV 1
ASSI { 3885}
(( segid "SH2 " and resid 90 and name HN ))
(( segid "SH2 " and resid 89 and name HN ))
4.100 1.900 1.900 peak 3885 weight 0.10000E+01 volume 0.92835E-03 ppm1 7.650 ppm2 8.270 CV 1
ASSI { 592}
(( segid "SH2 " and resid 87 and name HA1 ))
(( segid "SH2 " and resid 89 and name HN ))
3.300 1.700 1.700 peak 592 weight 0.10000E+01 volume 0.14541E-02 ppm1 4.000 ppm2 8.280 CV 1
ASSI { 2643}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 90 and name HA ))
4.500 3.000 1.500 peak 2643 weight 0.10000E+01 volume 0.22412E-03 ppm1 8.280 ppm2 5.180 CV 1
ASSI { 585}
(( segid "SH2 " and resid 89 and name HE21))
(( segid "SH2 " and resid 89 and name HN ))
4.700 2.800 1.300 peak 585 weight 0.10000E+01 volume 0.29352E-03 ppm1 7.130 ppm2 8.280 CV 1
ASSI { 3370}
(( segid "SH2 " and resid 104 and name HA ))
(( segid "SH2 " and resid 104 and name HN ))
3.100 1.600 1.600 peak 3370 weight 0.10000E+01 volume 0.16133E-02 ppm1 4.370 ppm2 7.540 CV 1
ASSI { 3372}
(( segid "SH2 " and resid 104 and name HN ))
(( segid "SH2 " and resid 106 and name HB2 ))
5.000 3.300 1.000 peak 3372 weight 0.10000E+01 volume 0.17665E-03 ppm1 7.540 ppm2 1.250 CV 1
ASSI { 3305}
( segid "SH2 " and resid 103 and name HG2%)
(( segid "SH2 " and resid 104 and name HN ))
4.100 2.000 1.900 peak 3305 weight 0.10000E+01 volume 0.81417E-03 ppm1 0.460 ppm2 7.530 CV 1
ASSI { 576}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 104 and name HN ))
2.300 1.100 1.100 peak 576 weight 0.10000E+01 volume 0.54077E-02 ppm1 6.750 ppm2 7.530 CV 1
ASSI { 2090}
(( segid "SH2 " and resid 102 and name HN ))
(( segid "SH2 " and resid 104 and name HN ))
3.700 1.900 1.900 peak 2090 weight 0.10000E+01 volume 0.96441E-03 ppm1 7.350 ppm2 7.540 CV 1
ASSI { 555}
(( segid "SH2 " and resid 105 and name HN ))
(( segid "SH2 " and resid 104 and name HN ))
4.700 2.600 1.300 peak 555 weight 0.10000E+01 volume 0.38155E-03 ppm1 8.130 ppm2 7.530 CV 1
ASSI { 2279}
( segid "SH2 " and resid 101 and name HD% )
(( segid "SH2 " and resid 104 and name HN ))
4.200 2.100 1.800 peak 2279 weight 0.10000E+01 volume 0.74506E-03 ppm1 7.040 ppm2 7.530 CV 1
ASSI { 569}
( segid "SH2 " and resid 68 and name HG1%)
(( segid "SH2 " and resid 68 and name HN ))
3.200 1.500 1.500 peak 569 weight 0.10000E+01 volume 0.19348E-02 ppm1 0.870 ppm2 7.840 CV 1
OR { 569}
( segid "SH2 " and resid 68 and name HG2%)
(( segid "SH2 " and resid 68 and name HN ))
ASSI { 568}
(( segid "SH2 " and resid 68 and name HB ))
(( segid "SH2 " and resid 68 and name HN ))
2.700 1.500 1.500 peak 568 weight 0.10000E+01 volume 0.21871E-02 ppm1 2.030 ppm2 7.840 CV 1
ASSI { 3374}
( segid "SH2 " and resid 103 and name HD1%)
(( segid "SH2 " and resid 104 and name HN ))
4.900 2.500 1.100 peak 3374 weight 0.10000E+01 volume 0.39356E-03 ppm1 0.690 ppm2 7.530 CV 1
ASSI { 567}
(( segid "SH2 " and resid 78 and name HA2 ))
(( segid "SH2 " and resid 79 and name HN ))
2.800 1.300 1.300 peak 567 weight 0.10000E+01 volume 0.32446E-02 ppm1 3.930 ppm2 7.840 CV 1
OR { 567}
(( segid "SH2 " and resid 78 and name HA1 ))
(( segid "SH2 " and resid 79 and name HN ))
ASSI { 553}
(( segid "SH2 " and resid 78 and name HN ))
(( segid "SH2 " and resid 79 and name HN ))
3.700 2.200 2.200 peak 553 weight 0.10000E+01 volume 0.61888E-03 ppm1 8.400 ppm2 7.840 CV 1
ASSI { 3335}
(( segid "SH2 " and resid 40 and name HN ))
(( segid "SH2 " and resid 37 and name HN ))
5.000 2.800 1.000 peak 3335 weight 0.10000E+01 volume 0.27369E-03 ppm1 7.620 ppm2 8.050 CV 1
ASSI { 547}
(( segid "SH2 " and resid 40 and name HA ))
(( segid "SH2 " and resid 40 and name HN ))
2.900 1.500 1.500 peak 547 weight 0.10000E+01 volume 0.21721E-02 ppm1 4.890 ppm2 7.610 CV 1
ASSI { 540}
(( segid "SH2 " and resid 40 and name HB2 ))
(( segid "SH2 " and resid 40 and name HN ))
2.700 1.400 1.400 peak 540 weight 0.10000E+01 volume 0.28390E-02 ppm1 3.260 ppm2 7.620 CV 1
ASSI { 3336}
( segid "SH2 " and resid 39 and name HG2%)
(( segid "SH2 " and resid 40 and name HN ))
4.000 2.000 2.000 peak 3336 weight 0.10000E+01 volume 0.84723E-03 ppm1 1.280 ppm2 7.620 CV 1
ASSI { 3333}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 40 and name HN ))
4.400 2.400 1.600 peak 3333 weight 0.10000E+01 volume 0.48670E-03 ppm1 0.390 ppm2 7.620 CV 1
ASSI { 544}
(( segid "SH2 " and resid 40 and name HB1 ))
(( segid "SH2 " and resid 40 and name HN ))
3.300 1.500 1.500 peak 544 weight 0.10000E+01 volume 0.20369E-02 ppm1 4.150 ppm2 7.620 CV 1
ASSI { 531}
(( segid "SH2 " and resid 43 and name HN ))
(( segid "SH2 " and resid 44 and name HN ))
4.400 2.300 1.600 peak 531 weight 0.10000E+01 volume 0.53176E-03 ppm1 7.780 ppm2 8.760 CV 1
ASSI { 3332}
(( segid "SH2 " and resid 38 and name HN ))
(( segid "SH2 " and resid 40 and name HN ))
4.000 2.200 2.000 peak 3332 weight 0.10000E+01 volume 0.63694E-03 ppm1 0.020 ppm2 7.620 CV 1
ASSI { 515}
(( segid "SH2 " and resid 37 and name HN ))
(( segid "SH2 " and resid 44 and name HN ))
4.500 2.800 1.500 peak 515 weight 0.10000E+01 volume 0.27009E-03 ppm1 8.040 ppm2 8.750 CV 1
ASSI { 518}
(( segid "SH2 " and resid 44 and name HA ))
(( segid "SH2 " and resid 44 and name HN ))
3.100 1.800 1.800 peak 518 weight 0.10000E+01 volume 0.11506E-02 ppm1 5.380 ppm2 8.760 CV 1
ASSI { 528}
(( segid "SH2 " and resid 59 and name HB ))
(( segid "SH2 " and resid 44 and name HN ))
3.000 1.700 1.700 peak 528 weight 0.10000E+01 volume 0.14931E-02 ppm1 1.730 ppm2 8.760 CV 1
ASSI { 516}
( segid "SH2 " and resid 44 and name HD% )
(( segid "SH2 " and resid 44 and name HN ))
3.400 1.600 1.600 peak 516 weight 0.10000E+01 volume 0.16463E-02 ppm1 7.050 ppm2 8.760 CV 1
ASSI { 2576}
( segid "SH2 " and resid 59 and name HG2%)
(( segid "SH2 " and resid 44 and name HN ))
3.400 1.700 1.700 peak 2576 weight 0.10000E+01 volume 0.13009E-02 ppm1 0.730 ppm2 8.760 CV 1
ASSI { 526}
(( segid "SH2 " and resid 43 and name HB1 ))
(( segid "SH2 " and resid 44 and name HN ))
2.800 1.400 1.400 peak 526 weight 0.10000E+01 volume 0.29292E-02 ppm1 2.980 ppm2 8.760 CV 1
ASSI { 525}
(( segid "SH2 " and resid 44 and name HB1 ))
(( segid "SH2 " and resid 44 and name HN ))
3.900 1.800 1.800 peak 525 weight 0.10000E+01 volume 0.12678E-02 ppm1 3.180 ppm2 8.760 CV 1
ASSI { 2575}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 44 and name HN ))
4.000 2.000 2.000 peak 2575 weight 0.10000E+01 volume 0.87423E-03 ppm1 0.390 ppm2 8.760 CV 1
ASSI { 3709}
(( segid "SH2 " and resid 60 and name HA ))
(( segid "SH2 " and resid 44 and name HN ))
3.600 2.100 2.100 peak 3709 weight 0.10000E+01 volume 0.69400E-03 ppm1 4.830 ppm2 8.760 CV 1
ASSI { 2243}
(( segid "SH2 " and resid 90 and name HN ))
(( segid "SH2 " and resid 91 and name HN ))
4.800 2.600 1.200 peak 2243 weight 0.10000E+01 volume 0.37554E-03 ppm1 7.650 ppm2 9.000 CV 1
ASSI { 2653}
(( segid "SH2 " and resid 91 and name HN ))
(( segid "SH2 " and resid 92 and name HB2 ))
5.600 3.300 0.400 peak 2653 weight 0.10000E+01 volume 0.17035E-03 ppm1 9.010 ppm2 2.740 CV 1
OR { 2653}
(( segid "SH2 " and resid 91 and name HN ))
(( segid "SH2 " and resid 92 and name HB1 ))
ASSI { 517}
( segid "SH2 " and resid 44 and name HE% )
(( segid "SH2 " and resid 44 and name HN ))
4.900 2.500 1.100 peak 517 weight 0.10000E+01 volume 0.43562E-03 ppm1 6.830 ppm2 8.760 CV 1
ASSI { 3172}
(( segid "SH2 " and resid 83 and name HA ))
(( segid "SH2 " and resid 91 and name HN ))
4.600 2.600 1.400 peak 3172 weight 0.10000E+01 volume 0.37554E-03 ppm1 4.560 ppm2 9.000 CV 1
ASSI { 3170}
(( segid "SH2 " and resid 85 and name HA ))
(( segid "SH2 " and resid 91 and name HN ))
3.300 1.800 1.800 peak 3170 weight 0.10000E+01 volume 0.12108E-02 ppm1 5.330 ppm2 9.000 CV 1
ASSI { 3177}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 91 and name HN ))
4.300 2.300 1.700 peak 3177 weight 0.10000E+01 volume 0.56481E-03 ppm1 0.700 ppm2 9.010 CV 1
ASSI { 508}
( segid "SH2 " and resid 91 and name HD% )
(( segid "SH2 " and resid 91 and name HN ))
3.200 1.600 1.600 peak 508 weight 0.10000E+01 volume 0.17395E-02 ppm1 6.980 ppm2 9.000 CV 1
ASSI { 2652}
(( segid "SH2 " and resid 91 and name HN ))
(( segid "SH2 " and resid 83 and name HD1 ))
4.400 2.800 1.600 peak 2652 weight 0.10000E+01 volume 0.29082E-03 ppm1 9.010 ppm2 3.090 CV 1
OR { 2652}
(( segid "SH2 " and resid 91 and name HN ))
(( segid "SH2 " and resid 83 and name HD2 ))
ASSI { 3142}
(( segid "SH2 " and resid 91 and name HA ))
(( segid "SH2 " and resid 91 and name HN ))
3.100 1.800 1.800 peak 3142 weight 0.10000E+01 volume 0.12528E-02 ppm1 4.760 ppm2 9.000 CV 1
ASSI { 4391}
(( segid "SH2 " and resid 93 and name HN ))
(( segid "SH2 " and resid 91 and name HN ))
5.100 3.000 0.900 peak 4391 weight 0.10000E+01 volume 0.23193E-03 ppm1 7.380 ppm2 9.000 CV 1
ASSI { 4194}
(( segid "SH2 " and resid 45 and name HN ))
( segid "SH2 " and resid 44 and name HE% )
5.600 2.800 0.400 peak 4194 weight 0.10000E+01 volume 0.26919E-03 ppm1 9.800 ppm2 6.800 CV 1
ASSI { 479}
(( segid "SH2 " and resid 34 and name HA ))
(( segid "SH2 " and resid 45 and name HN ))
4.300 2.300 1.700 peak 479 weight 0.10000E+01 volume 0.53477E-03 ppm1 5.810 ppm2 9.790 CV 1
ASSI { 3855}
(( segid "SH2 " and resid 59 and name HB ))
(( segid "SH2 " and resid 45 and name HN ))
3.600 2.000 2.000 peak 3855 weight 0.10000E+01 volume 0.88929E-03 ppm1 1.700 ppm2 9.790 CV 1
ASSI { 484}
(( segid "SH2 " and resid 44 and name HB1 ))
(( segid "SH2 " and resid 45 and name HN ))
2.400 1.400 1.400 peak 484 weight 0.10000E+01 volume 0.26378E-02 ppm1 3.180 ppm2 9.790 CV 1
ASSI { 491}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "SH2 " and resid 45 and name HN ))
3.800 1.800 1.800 peak 491 weight 0.10000E+01 volume 0.11897E-02 ppm1 1.190 ppm2 9.790 CV 1
ASSI { 487}
(( segid "SH2 " and resid 45 and name HB ))
(( segid "SH2 " and resid 45 and name HN ))
2.700 1.500 1.500 peak 487 weight 0.10000E+01 volume 0.20880E-02 ppm1 1.970 ppm2 9.790 CV 1
ASSI { 480}
(( segid "SH2 " and resid 44 and name HA ))
(( segid "SH2 " and resid 45 and name HN ))
2.400 1.200 1.200 peak 480 weight 0.10000E+01 volume 0.43562E-02 ppm1 5.380 ppm2 9.790 CV 1
ASSI { 3851}
( segid "SH2 " and resid 59 and name HD1%)
(( segid "SH2 " and resid 45 and name HN ))
3.500 2.000 2.000 peak 3851 weight 0.10000E+01 volume 0.79611E-03 ppm1 0.720 ppm2 9.790 CV 1
ASSI { 485}
(( segid "SH2 " and resid 44 and name HB2 ))
(( segid "SH2 " and resid 45 and name HN ))
3.900 1.700 1.700 peak 485 weight 0.10000E+01 volume 0.14301E-02 ppm1 2.670 ppm2 9.790 CV 1
ASSI { 482}
(( segid "SH2 " and resid 45 and name HA ))
(( segid "SH2 " and resid 45 and name HN ))
2.800 1.700 1.700 peak 482 weight 0.10000E+01 volume 0.13309E-02 ppm1 4.770 ppm2 9.790 CV 1
ASSI { 476}
(( segid "SH2 " and resid 37 and name HN ))
(( segid "SH2 " and resid 45 and name HN ))
4.200 2.300 1.800 peak 476 weight 0.10000E+01 volume 0.51373E-03 ppm1 8.060 ppm2 9.790 CV 1
ASSI { 481}
(( segid "SH2 " and resid 36 and name HA ))
(( segid "SH2 " and resid 45 and name HN ))
3.700 1.900 1.900 peak 481 weight 0.10000E+01 volume 0.10155E-02 ppm1 4.890 ppm2 9.790 CV 1
ASSI { 3282}
( segid "SH2 " and resid 44 and name HD% )
(( segid "SH2 " and resid 45 and name HN ))
3.000 1.700 1.700 peak 3282 weight 0.10000E+01 volume 0.13760E-02 ppm1 7.050 ppm2 9.790 CV 1
ASSI { 475}
(( segid "SH2 " and resid 44 and name HN ))
(( segid "SH2 " and resid 45 and name HN ))
4.800 2.400 1.200 peak 475 weight 0.10000E+01 volume 0.44163E-03 ppm1 8.770 ppm2 9.790 CV 1
ASSI { 474}
(( segid "SH2 " and resid 46 and name HN ))
(( segid "SH2 " and resid 45 and name HN ))
4.100 2.400 1.900 peak 474 weight 0.10000E+01 volume 0.46867E-03 ppm1 9.190 ppm2 9.800 CV 1
ASSI { 4199}
(( segid "SH2 " and resid 96 and name HN ))
(( segid "SH2 " and resid 91 and name HB1 ))
5.100 3.100 0.900 peak 4199 weight 0.10000E+01 volume 0.21511E-03 ppm1 7.280 ppm2 3.270 CV 1
ASSI { 3361}
(( segid "SH2 " and resid 93 and name HA ))
(( segid "SH2 " and resid 96 and name HN ))
4.500 2.700 1.500 peak 3361 weight 0.10000E+01 volume 0.32446E-03 ppm1 4.570 ppm2 7.280 CV 1
ASSI { 459}
(( segid "SH2 " and resid 98 and name HN ))
(( segid "SH2 " and resid 96 and name HN ))
3.800 2.100 2.100 peak 459 weight 0.10000E+01 volume 0.66694E-03 ppm1 7.810 ppm2 7.280 CV 1
ASSI { 4200}
(( segid "SH2 " and resid 96 and name HN ))
(( segid "SH2 " and resid 99 and name HB2 ))
4.100 1.900 1.900 peak 4200 weight 0.10000E+01 volume 0.95835E-03 ppm1 7.280 ppm2 1.990 CV 1
OR { 4200}
(( segid "SH2 " and resid 96 and name HN ))
(( segid "SH2 " and resid 99 and name HB1 ))
ASSI { 4198}
(( segid "SH2 " and resid 96 and name HN ))
(( segid "SH2 " and resid 97 and name HN ))
2.500 1.300 1.300 peak 4198 weight 0.10000E+01 volume 0.35150E-02 ppm1 7.280 ppm2 7.000 CV 1
ASSI { 467}
(( segid "SH2 " and resid 95 and name HG2 ))
(( segid "SH2 " and resid 96 and name HN ))
3.400 1.500 1.500 peak 467 weight 0.10000E+01 volume 0.23674E-02 ppm1 1.800 ppm2 7.280 CV 1
OR { 467}
(( segid "SH2 " and resid 95 and name HG1 ))
(( segid "SH2 " and resid 96 and name HN ))
ASSI { 468}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 96 and name HN ))
2.200 1.000 1.000 peak 468 weight 0.10000E+01 volume 0.89829E-02 ppm1 1.590 ppm2 7.280 CV 1
ASSI { 462}
(( segid "SH2 " and resid 96 and name HA ))
(( segid "SH2 " and resid 96 and name HN ))
2.500 1.200 1.200 peak 462 weight 0.10000E+01 volume 0.51073E-02 ppm1 4.030 ppm2 7.280 CV 1
ASSI { 465}
(( segid "SH2 " and resid 95 and name HB1 ))
(( segid "SH2 " and resid 96 and name HN ))
3.900 1.600 1.600 peak 465 weight 0.10000E+01 volume 0.17876E-02 ppm1 2.360 ppm2 7.280 CV 1
ASSI { 463}
(( segid "SH2 " and resid 95 and name HD2 ))
(( segid "SH2 " and resid 96 and name HN ))
2.800 1.500 1.500 peak 463 weight 0.10000E+01 volume 0.23193E-02 ppm1 3.810 ppm2 7.280 CV 1
OR { 463}
(( segid "SH2 " and resid 95 and name HD1 ))
(( segid "SH2 " and resid 96 and name HN ))
ASSI { 3237}
(( segid "SH2 " and resid 84 and name HB2 ))
(( segid "SH2 " and resid 92 and name HN ))
3.700 1.700 1.700 peak 3237 weight 0.10000E+01 volume 0.13309E-02 ppm1 1.580 ppm2 9.140 CV 1
OR { 3237}
(( segid "SH2 " and resid 84 and name HB1 ))
(( segid "SH2 " and resid 92 and name HN ))
ASSI { 438}
(( segid "SH2 " and resid 92 and name HB2 ))
(( segid "SH2 " and resid 92 and name HN ))
2.700 1.300 1.300 peak 438 weight 0.10000E+01 volume 0.31245E-02 ppm1 2.750 ppm2 9.140 CV 1
OR { 438}
(( segid "SH2 " and resid 92 and name HB1 ))
(( segid "SH2 " and resid 92 and name HN ))
ASSI { 439}
(( segid "SH2 " and resid 91 and name HB1 ))
(( segid "SH2 " and resid 92 and name HN ))
2.700 1.600 1.600 peak 439 weight 0.10000E+01 volume 0.16674E-02 ppm1 3.280 ppm2 9.140 CV 1
ASSI { 442}
( segid "SH2 " and resid 91 and name HD% )
(( segid "SH2 " and resid 92 and name HN ))
3.500 1.900 1.900 peak 442 weight 0.10000E+01 volume 0.10635E-02 ppm1 6.980 ppm2 9.140 CV 1
ASSI { 4204}
(( segid "SH2 " and resid 27 and name HN ))
( segid "SH2 " and resid 31 and name HG1%)
4.500 2.000 1.500 peak 4204 weight 0.10000E+01 volume 0.81717E-03 ppm1 7.870 ppm2 1.070 CV 1
ASSI { 4208}
(( segid "SH2 " and resid 27 and name HN ))
(( segid "SH2 " and resid 25 and name HA ))
3.100 1.400 1.400 peak 4208 weight 0.10000E+01 volume 0.24755E-02 ppm1 7.870 ppm2 3.910 CV 1
ASSI { 3695}
(( segid "SH2 " and resid 25 and name HN ))
(( segid "SH2 " and resid 27 and name HN ))
4.100 2.400 1.900 peak 3695 weight 0.10000E+01 volume 0.44464E-03 ppm1 8.660 ppm2 7.870 CV 1
ASSI { 4209}
(( segid "SH2 " and resid 26 and name HA2 ))
(( segid "SH2 " and resid 27 and name HN ))
3.200 1.600 1.600 peak 4209 weight 0.10000E+01 volume 0.16013E-02 ppm1 3.720 ppm2 7.870 CV 1
ASSI { 4207}
(( segid "SH2 " and resid 27 and name HA ))
(( segid "SH2 " and resid 27 and name HN ))
2.500 1.200 1.200 peak 4207 weight 0.10000E+01 volume 0.45665E-02 ppm1 4.240 ppm2 7.870 CV 1
ASSI { 3502}
(( segid "SH2 " and resid 26 and name HN ))
(( segid "SH2 " and resid 27 and name HN ))
2.500 1.200 1.200 peak 3502 weight 0.10000E+01 volume 0.39356E-02 ppm1 8.950 ppm2 7.870 CV 1
ASSI { 2945}
(( segid "SH2 " and resid 27 and name HN ))
(( segid "SH2 " and resid 27 and name HB2 ))
2.400 1.200 1.200 peak 2945 weight 0.10000E+01 volume 0.48369E-02 ppm1 7.870 ppm2 2.070 CV 1
OR { 2945}
(( segid "SH2 " and resid 27 and name HN ))
(( segid "SH2 " and resid 27 and name HB1 ))
ASSI { 448}
(( segid "SH2 " and resid 27 and name HG2 ))
(( segid "SH2 " and resid 27 and name HN ))
2.400 1.000 1.000 peak 448 weight 0.10000E+01 volume 0.78711E-02 ppm1 2.330 ppm2 7.870 CV 1
OR { 448}
(( segid "SH2 " and resid 27 and name HG1 ))
(( segid "SH2 " and resid 27 and name HN ))
ASSI { 3505}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 27 and name HN ))
4.700 2.100 1.300 peak 3505 weight 0.10000E+01 volume 0.71805E-03 ppm1 0.550 ppm2 7.870 CV 1
ASSI { 453}
(( segid "SH2 " and resid 27 and name HE21))
(( segid "SH2 " and resid 27 and name HN ))
4.500 2.300 1.500 peak 453 weight 0.10000E+01 volume 0.52575E-03 ppm1 7.540 ppm2 7.860 CV 1
ASSI { 3239}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 92 and name HN ))
5.200 2.800 0.800 peak 3239 weight 0.10000E+01 volume 0.27309E-03 ppm1 0.700 ppm2 9.140 CV 1
ASSI { 415}
(( segid "SH2 " and resid 102 and name HB2 ))
(( segid "SH2 " and resid 102 and name HN ))
2.500 1.300 1.300 peak 415 weight 0.10000E+01 volume 0.36052E-02 ppm1 1.620 ppm2 7.340 CV 1
OR { 415}
(( segid "SH2 " and resid 102 and name HB1 ))
(( segid "SH2 " and resid 102 and name HN ))
ASSI { 413}
(( segid "SH2 " and resid 101 and name HB2 ))
(( segid "SH2 " and resid 102 and name HN ))
3.200 2.100 2.100 peak 413 weight 0.10000E+01 volume 0.74206E-03 ppm1 2.170 ppm2 7.340 CV 1
ASSI { 4215}
(( segid "SH2 " and resid 102 and name HN ))
( segid "SH2 " and resid 103 and name HG2%)
5.000 2.500 1.000 peak 4215 weight 0.10000E+01 volume 0.42661E-03 ppm1 7.340 ppm2 0.460 CV 1
ASSI { 408}
(( segid "SH2 " and resid 102 and name HA ))
(( segid "SH2 " and resid 102 and name HN ))
2.500 1.300 1.300 peak 408 weight 0.10000E+01 volume 0.30945E-02 ppm1 4.560 ppm2 7.340 CV 1
ASSI { 3760}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 102 and name HN ))
4.200 2.000 1.800 peak 3760 weight 0.10000E+01 volume 0.80817E-03 ppm1 -0.010 ppm2 7.340 CV 1
ASSI { 409}
(( segid "SH2 " and resid 100 and name HA ))
(( segid "SH2 " and resid 102 and name HN ))
3.200 1.800 1.800 peak 409 weight 0.10000E+01 volume 0.12708E-02 ppm1 4.110 ppm2 7.340 CV 1
ASSI { 406}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 102 and name HN ))
2.300 1.100 1.100 peak 406 weight 0.10000E+01 volume 0.54979E-02 ppm1 6.750 ppm2 7.340 CV 1
ASSI { 416}
(( segid "SH2 " and resid 102 and name HG1 ))
(( segid "SH2 " and resid 102 and name HN ))
3.800 1.500 1.500 peak 416 weight 0.10000E+01 volume 0.19678E-02 ppm1 1.220 ppm2 7.340 CV 1
OR { 416}
(( segid "SH2 " and resid 102 and name HG2 ))
(( segid "SH2 " and resid 102 and name HN ))
ASSI { 3754}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 102 and name HN ))
3.000 1.600 1.600 peak 3754 weight 0.10000E+01 volume 0.17305E-02 ppm1 3.690 ppm2 7.340 CV 1
ASSI { 405}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 102 and name HN ))
5.000 2.500 1.000 peak 405 weight 0.10000E+01 volume 0.38756E-03 ppm1 8.940 ppm2 7.340 CV 1
ASSI { 424}
(( segid "SH2 " and resid 105 and name HB2 ))
(( segid "SH2 " and resid 105 and name HN ))
2.700 1.600 1.600 peak 424 weight 0.10000E+01 volume 0.18687E-02 ppm1 2.500 ppm2 8.120 CV 1
ASSI { 4211}
(( segid "SH2 " and resid 105 and name HN ))
( segid "SH2 " and resid 105 and name HD% )
3.200 1.600 1.600 peak 4211 weight 0.10000E+01 volume 0.18687E-02 ppm1 8.120 ppm2 6.840 CV 1
ASSI { 426}
(( segid "SH2 " and resid 104 and name HB1 ))
(( segid "SH2 " and resid 105 and name HN ))
3.200 1.700 1.700 peak 426 weight 0.10000E+01 volume 0.13099E-02 ppm1 3.000 ppm2 8.120 CV 1
ASSI { 425}
(( segid "SH2 " and resid 105 and name HB1 ))
(( segid "SH2 " and resid 105 and name HN ))
3.600 1.300 1.300 peak 425 weight 0.10000E+01 volume 0.30644E-02 ppm1 2.750 ppm2 8.120 CV 1
ASSI { 395}
(( segid "SH2 " and resid 97 and name HA ))
(( segid "SH2 " and resid 98 and name HN ))
3.400 1.900 1.900 peak 395 weight 0.10000E+01 volume 0.95535E-03 ppm1 1.950 ppm2 7.840 CV 1
ASSI { 393}
(( segid "SH2 " and resid 95 and name HD1 ))
(( segid "SH2 " and resid 98 and name HN ))
3.700 1.900 1.900 peak 393 weight 0.10000E+01 volume 0.10305E-02 ppm1 3.790 ppm2 7.840 CV 1
OR { 393}
(( segid "SH2 " and resid 95 and name HD2 ))
(( segid "SH2 " and resid 98 and name HN ))
ASSI { 403}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 98 and name HN ))
3.700 1.600 1.600 peak 403 weight 0.10000E+01 volume 0.17185E-02 ppm1 -0.440 ppm2 7.840 CV 1
ASSI { 397}
(( segid "SH2 " and resid 98 and name HB1 ))
(( segid "SH2 " and resid 98 and name HN ))
3.200 1.400 1.400 peak 397 weight 0.10000E+01 volume 0.24395E-02 ppm1 1.470 ppm2 7.840 CV 1
ASSI { 4221}
(( segid "SH2 " and resid 98 and name HN ))
( segid "SH2 " and resid 97 and name HD2%)
4.000 1.700 1.700 peak 4221 weight 0.10000E+01 volume 0.13399E-02 ppm1 7.840 ppm2 0.520 CV 1
ASSI { 4219}
(( segid "SH2 " and resid 98 and name HN ))
(( segid "SH2 " and resid 98 and name HG ))
2.000 1.100 1.100 peak 4219 weight 0.10000E+01 volume 0.56180E-02 ppm1 7.840 ppm2 1.240 CV 1
ASSI { 400}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 98 and name HN ))
3.400 1.400 1.400 peak 400 weight 0.10000E+01 volume 0.24005E-02 ppm1 0.700 ppm2 7.840 CV 1
ASSI { 396}
(( segid "SH2 " and resid 97 and name HB1 ))
(( segid "SH2 " and resid 98 and name HN ))
2.600 1.600 1.600 peak 396 weight 0.10000E+01 volume 0.17966E-02 ppm1 1.700 ppm2 7.840 CV 1
OR { 396}
(( segid "SH2 " and resid 97 and name HB2 ))
(( segid "SH2 " and resid 98 and name HN ))
ASSI { 3367}
(( segid "SH2 " and resid 100 and name HN ))
(( segid "SH2 " and resid 98 and name HN ))
4.300 2.900 1.700 peak 3367 weight 0.10000E+01 volume 0.25657E-03 ppm1 7.510 ppm2 7.840 CV 1
ASSI { 392}
(( segid "SH2 " and resid 96 and name HA ))
(( segid "SH2 " and resid 98 and name HN ))
3.700 2.000 2.000 peak 392 weight 0.10000E+01 volume 0.83217E-03 ppm1 4.030 ppm2 7.840 CV 1
ASSI { 3797}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 105 and name HA ))
4.700 3.000 1.300 peak 3797 weight 0.10000E+01 volume 0.23764E-03 ppm1 8.940 ppm2 3.790 CV 1
ASSI { 4226}
(( segid "SH2 " and resid 106 and name HB1 ))
(( segid "SH2 " and resid 107 and name HN ))
2.300 1.300 1.300 peak 4226 weight 0.10000E+01 volume 0.30343E-02 ppm1 1.680 ppm2 8.450 CV 1
ASSI { 3800}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 101 and name HB2 ))
5.200 2.600 0.800 peak 3800 weight 0.10000E+01 volume 0.35751E-03 ppm1 8.940 ppm2 2.180 CV 1
ASSI { 4374}
(( segid "SH2 " and resid 105 and name HA ))
(( segid "SH2 " and resid 107 and name HN ))
4.200 2.500 1.800 peak 4374 weight 0.10000E+01 volume 0.38756E-03 ppm1 3.800 ppm2 8.450 CV 1
ASSI { 4230}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 110 and name HN ))
4.600 2.700 1.400 peak 4230 weight 0.10000E+01 volume 0.30644E-03 ppm1 8.940 ppm2 7.230 CV 1
ASSI { 3801}
(( segid "SH2 " and resid 102 and name HB2 ))
(( segid "SH2 " and resid 111 and name HN ))
4.900 2.400 1.100 peak 3801 weight 0.10000E+01 volume 0.47468E-03 ppm1 1.610 ppm2 8.940 CV 1
OR { 3801}
(( segid "SH2 " and resid 102 and name HB1 ))
(( segid "SH2 " and resid 111 and name HN ))
ASSI { 4377}
(( segid "SH2 " and resid 107 and name HN ))
(( segid "SH2 " and resid 106 and name HB2 ))
3.600 1.700 1.700 peak 4377 weight 0.10000E+01 volume 0.14841E-02 ppm1 8.450 ppm2 1.240 CV 1
ASSI { 4227}
(( segid "SH2 " and resid 21 and name HN ))
( segid "SH2 " and resid 24 and name HD1%)
4.800 2.300 1.200 peak 4227 weight 0.10000E+01 volume 0.51073E-03 ppm1 8.360 ppm2 0.530 CV 1
ASSI { 386}
(( segid "SH2 " and resid 111 and name HG ))
(( segid "SH2 " and resid 111 and name HN ))
3.600 1.700 1.700 peak 386 weight 0.10000E+01 volume 0.14721E-02 ppm1 0.810 ppm2 8.940 CV 1
ASSI { 1635}
(( segid "SH2 " and resid 111 and name HB2 ))
(( segid "SH2 " and resid 111 and name HN ))
2.300 1.400 1.400 peak 1635 weight 0.10000E+01 volume 0.28691E-02 ppm1 1.170 ppm2 8.940 CV 1
ASSI { 378}
(( segid "SH2 " and resid 111 and name HA ))
(( segid "SH2 " and resid 111 and name HN ))
2.800 1.700 1.700 peak 378 weight 0.10000E+01 volume 0.13459E-02 ppm1 4.410 ppm2 8.940 CV 1
ASSI { 2168}
(( segid "SH2 " and resid 101 and name HB1 ))
(( segid "SH2 " and resid 111 and name HN ))
4.400 2.200 1.600 peak 2168 weight 0.10000E+01 volume 0.60988E-03 ppm1 3.320 ppm2 8.940 CV 1
ASSI { 3618}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 110 and name HA ))
2.300 1.200 1.200 peak 3618 weight 0.10000E+01 volume 0.42060E-02 ppm1 8.940 ppm2 4.680 CV 1
ASSI { 385}
(( segid "SH2 " and resid 111 and name HB1 ))
(( segid "SH2 " and resid 111 and name HN ))
3.200 1.300 1.300 peak 385 weight 0.10000E+01 volume 0.32747E-02 ppm1 1.290 ppm2 8.940 CV 1
ASSI { 363}
(( segid "SH2 " and resid 18 and name HA ))
(( segid "SH2 " and resid 21 and name HN ))
2.900 1.400 1.400 peak 363 weight 0.10000E+01 volume 0.25596E-02 ppm1 3.950 ppm2 8.360 CV 1
ASSI { 4228}
(( segid "SH2 " and resid 21 and name HN ))
( segid "SH2 " and resid 54 and name HG2%)
4.200 2.200 1.800 peak 4228 weight 0.10000E+01 volume 0.60088E-03 ppm1 8.360 ppm2 0.380 CV 1
ASSI { 4225}
(( segid "SH2 " and resid 21 and name HN ))
(( segid "SH2 " and resid 54 and name HB ))
4.600 2.100 1.400 peak 4225 weight 0.10000E+01 volume 0.76911E-03 ppm1 8.360 ppm2 1.940 CV 1
ASSI { 3420}
(( segid "SH2 " and resid 21 and name HN ))
(( segid "SH2 " and resid 21 and name HB ))
2.300 1.100 1.100 peak 3420 weight 0.10000E+01 volume 0.66694E-02 ppm1 8.360 ppm2 2.210 CV 1
ASSI { 2456}
(( segid "SH2 " and resid 21 and name HN ))
( segid "SH2 " and resid 21 and name HG2%)
2.600 1.300 1.300 peak 2456 weight 0.10000E+01 volume 0.31245E-02 ppm1 8.360 ppm2 0.980 CV 1
ASSI { 1903}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 21 and name HN ))
3.900 2.400 2.100 peak 1903 weight 0.10000E+01 volume 0.48670E-03 ppm1 7.350 ppm2 8.360 CV 1
ASSI { 365}
(( segid "SH2 " and resid 21 and name HN ))
(( segid "SH2 " and resid 21 and name HA ))
2.600 1.300 1.300 peak 365 weight 0.10000E+01 volume 0.31846E-02 ppm1 8.360 ppm2 3.500 CV 1
ASSI { 2316}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 102 and name HD2 ))
5.400 2.800 0.600 peak 2316 weight 0.10000E+01 volume 0.28962E-03 ppm1 8.940 ppm2 1.860 CV 1
OR { 2316}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 102 and name HD1 ))
ASSI { 4370}
(( segid "SH2 " and resid 110 and name HN ))
(( segid "SH2 " and resid 109 and name HN ))
4.400 2.100 1.600 peak 4370 weight 0.10000E+01 volume 0.74206E-03 ppm1 7.200 ppm2 8.360 CV 1
ASSI { 369}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 21 and name HN ))
3.200 1.000 1.000 peak 369 weight 0.10000E+01 volume 0.75106E-02 ppm1 1.240 ppm2 8.360 CV 1
ASSI { 3778}
(( segid "SH2 " and resid 109 and name HB ))
(( segid "SH2 " and resid 109 and name HN ))
3.200 1.500 1.500 peak 3778 weight 0.10000E+01 volume 0.20549E-02 ppm1 4.040 ppm2 8.320 CV 1
ASSI { 1851}
(( segid "SH2 " and resid 109 and name HA ))
(( segid "SH2 " and resid 109 and name HN ))
2.800 1.500 1.500 peak 1851 weight 0.10000E+01 volume 0.22833E-02 ppm1 5.150 ppm2 8.320 CV 1
ASSI { 3774}
( segid "SH2 " and resid 105 and name HD% )
(( segid "SH2 " and resid 109 and name HN ))
3.700 2.200 2.200 peak 3774 weight 0.10000E+01 volume 0.59182E-03 ppm1 6.840 ppm2 8.320 CV 1
ASSI { 4233}
(( segid "SH2 " and resid 87 and name HN ))
(( segid "SH2 " and resid 59 and name HA ))
5.600 2.700 0.400 peak 4233 weight 0.10000E+01 volume 0.31545E-03 ppm1 9.360 ppm2 4.480 CV 1
ASSI { 326}
(( segid "SH2 " and resid 86 and name HA ))
(( segid "SH2 " and resid 87 and name HN ))
2.100 1.000 1.000 peak 326 weight 0.10000E+01 volume 0.72705E-02 ppm1 4.840 ppm2 9.360 CV 1
ASSI { 329}
(( segid "SH2 " and resid 87 and name HA2 ))
(( segid "SH2 " and resid 87 and name HN ))
2.300 1.100 1.100 peak 329 weight 0.10000E+01 volume 0.57982E-02 ppm1 3.760 ppm2 9.360 CV 1
ASSI { 334}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "SH2 " and resid 87 and name HN ))
4.400 2.200 1.600 peak 334 weight 0.10000E+01 volume 0.60388E-03 ppm1 1.310 ppm2 9.360 CV 1
ASSI { 328}
(( segid "SH2 " and resid 87 and name HA1 ))
(( segid "SH2 " and resid 87 and name HN ))
2.800 1.300 1.300 peak 328 weight 0.10000E+01 volume 0.35451E-02 ppm1 4.000 ppm2 9.360 CV 1
ASSI { 1622}
(( segid "SH2 " and resid 108 and name HA ))
(( segid "SH2 " and resid 109 and name HN ))
2.700 1.400 1.400 peak 1622 weight 0.10000E+01 volume 0.28902E-02 ppm1 4.410 ppm2 8.320 CV 1
ASSI { 3882}
(( segid "SH2 " and resid 87 and name HN ))
(( segid "SH2 " and resid 85 and name HG2 ))
4.100 2.500 1.900 peak 3882 weight 0.10000E+01 volume 0.41459E-03 ppm1 9.360 ppm2 1.500 CV 1
OR { 3882}
(( segid "SH2 " and resid 87 and name HN ))
(( segid "SH2 " and resid 85 and name HG1 ))
ASSI { 309}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 101 and name HN ))
2.900 1.600 1.600 peak 309 weight 0.10000E+01 volume 0.18116E-02 ppm1 4.920 ppm2 7.450 CV 1
ASSI { 3671}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 101 and name HN ))
4.000 2.500 2.000 peak 3671 weight 0.10000E+01 volume 0.42360E-03 ppm1 3.690 ppm2 7.460 CV 1
ASSI { 2875}
(( segid "SH2 " and resid 101 and name HN ))
(( segid "SH2 " and resid 101 and name HB2 ))
2.300 1.300 1.300 peak 2875 weight 0.10000E+01 volume 0.31846E-02 ppm1 7.450 ppm2 2.180 CV 1
ASSI { 311}
(( segid "SH2 " and resid 100 and name HA ))
(( segid "SH2 " and resid 101 and name HN ))
3.300 1.800 1.800 peak 311 weight 0.10000E+01 volume 0.11596E-02 ppm1 4.120 ppm2 7.460 CV 1
ASSI { 3669}
(( segid "SH2 " and resid 101 and name HB1 ))
(( segid "SH2 " and resid 101 and name HN ))
3.500 1.400 1.400 peak 3669 weight 0.10000E+01 volume 0.24455E-02 ppm1 3.330 ppm2 7.450 CV 1
ASSI { 3892}
(( segid "SH2 " and resid 101 and name HN ))
( segid "SH2 " and resid 111 and name HD2%)
4.000 1.700 1.700 peak 3892 weight 0.10000E+01 volume 0.14000E-02 ppm1 7.450 ppm2 -0.010 CV 1
ASSI { 3688}
( segid "SH2 " and resid 97 and name HD2%)
(( segid "SH2 " and resid 101 and name HN ))
4.300 2.400 1.700 peak 3688 weight 0.10000E+01 volume 0.47468E-03 ppm1 0.510 ppm2 7.460 CV 1
ASSI { 3675}
( segid "SH2 " and resid 101 and name HD% )
(( segid "SH2 " and resid 101 and name HN ))
2.400 1.400 1.400 peak 3675 weight 0.10000E+01 volume 0.26168E-02 ppm1 7.030 ppm2 7.450 CV 1
ASSI { 1399}
(( segid "SH2 " and resid 25 and name HN ))
(( segid "SH2 " and resid 23 and name HN ))
3.800 2.100 2.100 peak 1399 weight 0.10000E+01 volume 0.73005E-03 ppm1 8.680 ppm2 7.340 CV 1
ASSI { 2474}
(( segid "SH2 " and resid 23 and name HN ))
( segid "SH2 " and resid 24 and name HD1%)
5.300 2.200 0.700 peak 2474 weight 0.10000E+01 volume 0.58582E-03 ppm1 7.330 ppm2 0.530 CV 1
ASSI { 1412}
( segid "SH2 " and resid 23 and name HD1%)
(( segid "SH2 " and resid 23 and name HN ))
3.600 1.600 1.600 peak 1412 weight 0.10000E+01 volume 0.17425E-02 ppm1 0.000 ppm2 7.330 CV 1
ASSI { 1403}
(( segid "SH2 " and resid 23 and name HA ))
(( segid "SH2 " and resid 23 and name HN ))
2.600 1.200 1.200 peak 1403 weight 0.10000E+01 volume 0.39356E-02 ppm1 4.030 ppm2 7.330 CV 1
ASSI { 1405}
(( segid "SH2 " and resid 21 and name HA ))
(( segid "SH2 " and resid 23 and name HN ))
4.100 2.700 1.900 peak 1405 weight 0.10000E+01 volume 0.32146E-03 ppm1 3.510 ppm2 7.340 CV 1
ASSI { 4248}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 23 and name HB2 ))
2.300 1.000 1.000 peak 4248 weight 0.10000E+01 volume 0.72105E-02 ppm1 7.330 ppm2 1.500 CV 1
OR { 4248}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 23 and name HB1 ))
ASSI { 3474}
(( segid "SH2 " and resid 20 and name HA ))
(( segid "SH2 " and resid 23 and name HN ))
3.200 1.800 1.800 peak 3474 weight 0.10000E+01 volume 0.12108E-02 ppm1 3.780 ppm2 7.340 CV 1
ASSI { 2472}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 23 and name HG ))
2.700 1.400 1.400 peak 2472 weight 0.10000E+01 volume 0.29562E-02 ppm1 7.330 ppm2 0.940 CV 1
ASSI { 1474}
(( segid "SH2 " and resid 51 and name HA ))
(( segid "SH2 " and resid 51 and name HD21))
4.500 2.700 1.500 peak 1474 weight 0.10000E+01 volume 0.33949E-03 ppm1 4.200 ppm2 7.590 CV 1
ASSI { 4246}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 25 and name HB2 ))
4.100 2.100 1.900 peak 4246 weight 0.10000E+01 volume 0.67294E-03 ppm1 7.340 ppm2 2.120 CV 1
OR { 4246}
(( segid "SH2 " and resid 23 and name HN ))
(( segid "SH2 " and resid 25 and name HB1 ))
ASSI { 4258}
(( segid "SH2 " and resid 26 and name HN ))
(( segid "SH2 " and resid 27 and name HG2 ))
4.100 1.900 1.900 peak 4258 weight 0.10000E+01 volume 0.95835E-03 ppm1 8.960 ppm2 2.360 CV 1
OR { 4258}
(( segid "SH2 " and resid 26 and name HN ))
(( segid "SH2 " and resid 27 and name HG1 ))
ASSI { 1468}
(( segid "SH2 " and resid 50 and name HB1 ))
(( segid "SH2 " and resid 51 and name HD21))
4.400 2.300 1.600 peak 1468 weight 0.10000E+01 volume 0.54678E-03 ppm1 2.100 ppm2 7.590 CV 1
ASSI { 1467}
(( segid "SH2 " and resid 51 and name HB2 ))
(( segid "SH2 " and resid 51 and name HD21))
2.500 1.400 1.400 peak 1467 weight 0.10000E+01 volume 0.26258E-02 ppm1 2.710 ppm2 7.600 CV 1
ASSI { 1466}
(( segid "SH2 " and resid 51 and name HB1 ))
(( segid "SH2 " and resid 51 and name HD21))
3.500 1.700 1.700 peak 1466 weight 0.10000E+01 volume 0.15412E-02 ppm1 3.010 ppm2 7.600 CV 1
ASSI { 3499}
(( segid "SH2 " and resid 25 and name HB1 ))
(( segid "SH2 " and resid 26 and name HN ))
3.600 1.500 1.500 peak 3499 weight 0.10000E+01 volume 0.19588E-02 ppm1 2.140 ppm2 8.960 CV 1
OR { 3499}
(( segid "SH2 " and resid 25 and name HB2 ))
(( segid "SH2 " and resid 26 and name HN ))
ASSI { 277}
(( segid "SH2 " and resid 70 and name HA ))
(( segid "SH2 " and resid 71 and name HN ))
2.800 1.400 1.400 peak 277 weight 0.10000E+01 volume 0.26138E-02 ppm1 4.450 ppm2 8.100 CV 1
ASSI { 278}
(( segid "SH2 " and resid 71 and name HB2 ))
(( segid "SH2 " and resid 71 and name HN ))
3.800 2.200 2.200 peak 278 weight 0.10000E+01 volume 0.59488E-03 ppm1 3.780 ppm2 8.100 CV 1
ASSI { 2735}
(( segid "SH2 " and resid 16 and name HA ))
(( segid "SH2 " and resid 18 and name HN ))
3.400 1.400 1.400 peak 2735 weight 0.10000E+01 volume 0.29322E-02 ppm1 4.380 ppm2 8.570 CV 1
ASSI { 256}
(( segid "SH2 " and resid 18 and name HN ))
(( segid "SH2 " and resid 21 and name HB ))
3.700 3.700 2.300 peak 256 weight 0.10000E+01 volume 0.13369E-02 ppm1 8.570 ppm2 2.210 CV 1
ASSI { 253}
(( segid "SH2 " and resid 17 and name HA ))
(( segid "SH2 " and resid 18 and name HN ))
3.300 1.800 1.800 peak 253 weight 0.10000E+01 volume 0.11957E-02 ppm1 3.500 ppm2 8.570 CV 1
ASSI { 242}
(( segid "SH2 " and resid 17 and name HN ))
(( segid "SH2 " and resid 18 and name HN ))
2.600 1.400 1.400 peak 242 weight 0.10000E+01 volume 0.29382E-02 ppm1 9.240 ppm2 8.570 CV 1
ASSI { 255}
(( segid "SH2 " and resid 18 and name HG1 ))
(( segid "SH2 " and resid 18 and name HN ))
3.600 1.600 1.600 peak 255 weight 0.10000E+01 volume 0.19017E-02 ppm1 2.430 ppm2 8.570 CV 1
OR { 255}
(( segid "SH2 " and resid 18 and name HG2 ))
(( segid "SH2 " and resid 18 and name HN ))
ASSI { 257}
(( segid "SH2 " and resid 18 and name HB2 ))
(( segid "SH2 " and resid 18 and name HN ))
2.000 1.000 1.000 peak 257 weight 0.10000E+01 volume 0.79311E-02 ppm1 2.050 ppm2 8.570 CV 1
ASSI { 259}
(( segid "SH2 " and resid 17 and name HB2 ))
(( segid "SH2 " and resid 18 and name HN ))
3.000 1.800 1.800 peak 259 weight 0.10000E+01 volume 0.12408E-02 ppm1 1.250 ppm2 8.570 CV 1
ASSI { 246}
(( segid "SH2 " and resid 19 and name HN ))
(( segid "SH2 " and resid 18 and name HN ))
2.500 1.300 1.300 peak 246 weight 0.10000E+01 volume 0.34549E-02 ppm1 7.880 ppm2 8.570 CV 1
ASSI { 252}
(( segid "SH2 " and resid 18 and name HA ))
(( segid "SH2 " and resid 18 and name HN ))
2.500 1.200 1.200 peak 252 weight 0.10000E+01 volume 0.51073E-02 ppm1 3.950 ppm2 8.570 CV 1
ASSI { 254}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 18 and name HN ))
4.500 2.200 1.500 peak 254 weight 0.10000E+01 volume 0.64294E-03 ppm1 2.850 ppm2 8.570 CV 1
OR { 254}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 18 and name HN ))
ASSI { 258}
(( segid "SH2 " and resid 17 and name HB1 ))
(( segid "SH2 " and resid 18 and name HN ))
2.700 1.300 1.300 peak 258 weight 0.10000E+01 volume 0.33347E-02 ppm1 1.580 ppm2 8.570 CV 1
ASSI { 251}
(( segid "SH2 " and resid 16 and name HB1 ))
(( segid "SH2 " and resid 18 and name HN ))
3.300 1.900 1.900 peak 251 weight 0.10000E+01 volume 0.10425E-02 ppm1 4.070 ppm2 8.570 CV 1
OR { 251}
(( segid "SH2 " and resid 16 and name HB2 ))
(( segid "SH2 " and resid 18 and name HN ))
ASSI { 4261}
(( segid "SH2 " and resid 18 and name HN ))
( segid "SH2 " and resid 21 and name HG2%)
4.400 2.800 1.600 peak 4261 weight 0.10000E+01 volume 0.29622E-03 ppm1 8.580 ppm2 0.980 CV 1
ASSI { 2932}
( segid "SH2 " and resid 23 and name HD1%)
(( segid "SH2 " and resid 24 and name HN ))
4.700 2.200 1.300 peak 2932 weight 0.10000E+01 volume 0.61588E-03 ppm1 0.000 ppm2 7.400 CV 1
ASSI { 226}
(( segid "SH2 " and resid 23 and name HA ))
(( segid "SH2 " and resid 24 and name HN ))
3.200 1.700 1.700 peak 226 weight 0.10000E+01 volume 0.14931E-02 ppm1 4.030 ppm2 7.400 CV 1
ASSI { 2213}
( segid "SH2 " and resid 23 and name HD2%)
(( segid "SH2 " and resid 24 and name HN ))
5.000 2.200 1.000 peak 2213 weight 0.10000E+01 volume 0.60388E-03 ppm1 0.670 ppm2 7.400 CV 1
ASSI { 4265}
(( segid "SH2 " and resid 24 and name HN ))
(( segid "SH2 " and resid 27 and name HG1 ))
4.200 2.300 1.800 peak 4265 weight 0.10000E+01 volume 0.57082E-03 ppm1 7.390 ppm2 2.350 CV 1
OR { 4265}
(( segid "SH2 " and resid 24 and name HN ))
(( segid "SH2 " and resid 27 and name HG2 ))
ASSI { 2150}
( segid "SH2 " and resid 24 and name HD2%)
(( segid "SH2 " and resid 24 and name HN ))
2.600 2.600 3.400 peak 2150 weight 0.10000E+01 volume 0.30644E-02 ppm1 0.550 ppm2 7.400 CV 1
ASSI { 233}
(( segid "SH2 " and resid 24 and name HB1 ))
(( segid "SH2 " and resid 24 and name HN ))
3.200 1.300 1.300 peak 233 weight 0.10000E+01 volume 0.35451E-02 ppm1 1.710 ppm2 7.400 CV 1
ASSI { 4267}
(( segid "SH2 " and resid 24 and name HN ))
( segid "SH2 " and resid 31 and name HG1%)
3.800 3.800 2.200 peak 4267 weight 0.10000E+01 volume 0.22352E-02 ppm1 7.400 ppm2 1.060 CV 1
ASSI { 234}
(( segid "SH2 " and resid 24 and name HB2 ))
(( segid "SH2 " and resid 24 and name HN ))
2.100 1.200 1.200 peak 234 weight 0.10000E+01 volume 0.47167E-02 ppm1 1.490 ppm2 7.400 CV 1
ASSI { 2479}
(( segid "SH2 " and resid 25 and name HB2 ))
(( segid "SH2 " and resid 24 and name HN ))
4.500 2.100 1.500 peak 2479 weight 0.10000E+01 volume 0.73606E-03 ppm1 2.140 ppm2 7.400 CV 1
OR { 2479}
(( segid "SH2 " and resid 25 and name HB1 ))
(( segid "SH2 " and resid 24 and name HN ))
ASSI { 3313}
(( segid "SH2 " and resid 24 and name HN ))
(( segid "SH2 " and resid 54 and name HB ))
4.400 2.100 1.600 peak 3313 weight 0.10000E+01 volume 0.74506E-03 ppm1 7.400 ppm2 1.930 CV 1
ASSI { 2385}
(( segid "SH2 " and resid 10 and name HE3 ))
(( segid "SH2 " and resid 10 and name HN ))
4.000 2.400 2.000 peak 2385 weight 0.10000E+01 volume 0.46567E-03 ppm1 7.490 ppm2 6.740 CV 1
ASSI { 220}
(( segid "SH2 " and resid 117 and name HB2 ))
(( segid "SH2 " and resid 117 and name HN ))
3.700 2.300 2.300 peak 220 weight 0.10000E+01 volume 0.57382E-03 ppm1 1.680 ppm2 8.090 CV 1
OR { 220}
(( segid "SH2 " and resid 117 and name HB1 ))
(( segid "SH2 " and resid 117 and name HN ))
ASSI { 3968}
(( segid "SH2 " and resid 10 and name HN ))
(( segid "SH2 " and resid 9 and name HA ))
3.300 1.400 1.400 peak 3968 weight 0.10000E+01 volume 0.25596E-02 ppm1 6.740 ppm2 4.150 CV 1
ASSI { 2040}
(( segid "SH2 " and resid 10 and name HD1 ))
(( segid "SH2 " and resid 10 and name HN ))
2.900 1.600 1.600 peak 2040 weight 0.10000E+01 volume 0.18266E-02 ppm1 7.380 ppm2 6.740 CV 1
ASSI { 201}
(( segid "SH2 " and resid 10 and name HB2 ))
(( segid "SH2 " and resid 10 and name HN ))
3.600 1.900 1.900 peak 201 weight 0.10000E+01 volume 0.10215E-02 ppm1 3.010 ppm2 6.740 CV 1
ASSI { 221}
(( segid "SH2 " and resid 117 and name HG1 ))
(( segid "SH2 " and resid 117 and name HN ))
4.400 2.400 1.600 peak 221 weight 0.10000E+01 volume 0.44163E-03 ppm1 1.500 ppm2 8.090 CV 1
OR { 221}
(( segid "SH2 " and resid 117 and name HG2 ))
(( segid "SH2 " and resid 117 and name HN ))
ASSI { 3970}
(( segid "SH2 " and resid 10 and name HN ))
(( segid "SH2 " and resid 11 and name HB2 ))
4.500 2.100 1.500 peak 3970 weight 0.10000E+01 volume 0.68200E-03 ppm1 6.740 ppm2 2.470 CV 1
ASSI { 3971}
(( segid "SH2 " and resid 10 and name HN ))
(( segid "SH2 " and resid 114 and name HB2 ))
4.400 2.400 1.600 peak 3971 weight 0.10000E+01 volume 0.48369E-03 ppm1 6.750 ppm2 1.860 CV 1
OR { 3971}
(( segid "SH2 " and resid 10 and name HN ))
(( segid "SH2 " and resid 114 and name HB1 ))
ASSI { 2148}
(( segid "SH2 " and resid 99 and name HN ))
(( segid "SH2 " and resid 100 and name HB1 ))
4.500 2.400 1.500 peak 2148 weight 0.10000E+01 volume 0.47468E-03 ppm1 7.780 ppm2 2.950 CV 1
ASSI { 207}
(( segid "SH2 " and resid 97 and name HN ))
(( segid "SH2 " and resid 99 and name HN ))
3.600 2.200 2.200 peak 207 weight 0.10000E+01 volume 0.64894E-03 ppm1 7.010 ppm2 7.780 CV 1
ASSI { 208}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 99 and name HN ))
3.400 2.000 2.000 peak 208 weight 0.10000E+01 volume 0.85023E-03 ppm1 3.370 ppm2 7.780 CV 1
ASSI { 1998}
(( segid "SH2 " and resid 99 and name HN ))
(( segid "SH2 " and resid 98 and name HG ))
3.900 1.800 1.800 peak 1998 weight 0.10000E+01 volume 0.10906E-02 ppm1 7.780 ppm2 1.240 CV 1
ASSI { 216}
(( segid "SH2 " and resid 98 and name HB2 ))
(( segid "SH2 " and resid 99 and name HN ))
2.700 1.700 1.700 peak 216 weight 0.10000E+01 volume 0.15172E-02 ppm1 0.690 ppm2 7.780 CV 1
ASSI { 213}
(( segid "SH2 " and resid 98 and name HB1 ))
(( segid "SH2 " and resid 99 and name HN ))
3.300 1.500 1.500 peak 213 weight 0.10000E+01 volume 0.21150E-02 ppm1 1.470 ppm2 7.780 CV 1
ASSI { 186}
( segid "SH2 " and resid 98 and name HD1%)
(( segid "SH2 " and resid 99 and name HN ))
4.600 2.200 1.400 peak 186 weight 0.10000E+01 volume 0.63088E-03 ppm1 -0.440 ppm2 7.780 CV 1
ASSI { 185}
( segid "SH2 " and resid 98 and name HD2%)
(( segid "SH2 " and resid 99 and name HN ))
4.600 2.100 1.400 peak 185 weight 0.10000E+01 volume 0.75706E-03 ppm1 -0.010 ppm2 7.780 CV 1
ASSI { 1787}
(( segid "SH2 " and resid 27 and name HG1 ))
(( segid "SH2 " and resid 27 and name HE22))
3.600 1.600 1.600 peak 1787 weight 0.10000E+01 volume 0.18176E-02 ppm1 2.340 ppm2 6.980 CV 1
OR { 1787}
(( segid "SH2 " and resid 27 and name HG2 ))
(( segid "SH2 " and resid 27 and name HE22))
ASSI { 1783}
(( segid "SH2 " and resid 27 and name HG1 ))
(( segid "SH2 " and resid 27 and name HE21))
2.800 1.600 1.600 peak 1783 weight 0.10000E+01 volume 0.18777E-02 ppm1 2.340 ppm2 7.550 CV 1
OR { 1783}
(( segid "SH2 " and resid 27 and name HG2 ))
(( segid "SH2 " and resid 27 and name HE21))
ASSI { 1784}
(( segid "SH2 " and resid 27 and name HB1 ))
(( segid "SH2 " and resid 27 and name HE21))
3.800 2.500 2.200 peak 1784 weight 0.10000E+01 volume 0.43562E-03 ppm1 2.090 ppm2 7.540 CV 1
OR { 1784}
(( segid "SH2 " and resid 27 and name HB2 ))
(( segid "SH2 " and resid 27 and name HE21))
ASSI { 3922}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 113 and name HN ))
3.400 1.800 1.800 peak 3922 weight 0.10000E+01 volume 0.11656E-02 ppm1 7.880 ppm2 7.210 CV 1
ASSI { 3280}
( segid "SH2 " and resid 112 and name HD1%)
(( segid "SH2 " and resid 113 and name HN ))
3.900 1.300 1.300 peak 3280 weight 0.10000E+01 volume 0.31846E-02 ppm1 0.810 ppm2 7.210 CV 1
ASSI { 166}
(( segid "SH2 " and resid 113 and name HB1 ))
(( segid "SH2 " and resid 113 and name HN ))
3.600 1.800 1.800 peak 166 weight 0.10000E+01 volume 0.12738E-02 ppm1 2.070 ppm2 7.210 CV 1
ASSI { 152}
(( segid "SH2 " and resid 112 and name HN ))
(( segid "SH2 " and resid 113 and name HN ))
2.300 1.200 1.200 peak 152 weight 0.10000E+01 volume 0.45665E-02 ppm1 9.100 ppm2 7.210 CV 1
ASSI { 160}
(( segid "SH2 " and resid 112 and name HA ))
(( segid "SH2 " and resid 113 and name HN ))
3.100 1.400 1.400 peak 160 weight 0.10000E+01 volume 0.24695E-02 ppm1 4.390 ppm2 7.210 CV 1
ASSI { 4287}
(( segid "SH2 " and resid 113 and name HN ))
( segid "SH2 " and resid 32 and name HD% )
3.000 1.600 1.600 peak 4287 weight 0.10000E+01 volume 0.18446E-02 ppm1 7.210 ppm2 6.740 CV 1
ASSI { 4286}
(( segid "SH2 " and resid 113 and name HN ))
( segid "SH2 " and resid 32 and name HE% )
2.900 1.600 1.600 peak 4286 weight 0.10000E+01 volume 0.17365E-02 ppm1 7.210 ppm2 7.620 CV 1
ASSI { 4283}
(( segid "SH2 " and resid 112 and name HB ))
(( segid "SH2 " and resid 113 and name HN ))
2.100 1.100 1.100 peak 4283 weight 0.10000E+01 volume 0.67900E-02 ppm1 1.590 ppm2 7.210 CV 1
ASSI { 2891}
(( segid "SH2 " and resid 113 and name HN ))
(( segid "SH2 " and resid 113 and name HB2 ))
2.400 1.200 1.200 peak 2891 weight 0.10000E+01 volume 0.41459E-02 ppm1 7.210 ppm2 2.180 CV 1
ASSI { 2038}
( segid "SH2 " and resid 112 and name HG2%)
(( segid "SH2 " and resid 113 and name HN ))
3.200 1.300 1.300 peak 2038 weight 0.10000E+01 volume 0.31846E-02 ppm1 0.910 ppm2 7.210 CV 1
ASSI { 158}
(( segid "SH2 " and resid 113 and name HA ))
(( segid "SH2 " and resid 113 and name HN ))
2.700 1.500 1.500 peak 158 weight 0.10000E+01 volume 0.22292E-02 ppm1 5.000 ppm2 7.210 CV 1
ASSI { 4281}
(( segid "SH2 " and resid 113 and name HN ))
(( segid "SH2 " and resid 114 and name HD2 ))
4.400 2.200 1.600 peak 4281 weight 0.10000E+01 volume 0.66094E-03 ppm1 7.210 ppm2 3.730 CV 1
ASSI { 4279}
(( segid "SH2 " and resid 113 and name HN ))
(( segid "SH2 " and resid 30 and name HA1 ))
4.100 2.300 1.900 peak 4279 weight 0.10000E+01 volume 0.53477E-03 ppm1 7.210 ppm2 4.770 CV 1
ASSI { 4292}
(( segid "SH2 " and resid 33 and name HN ))
( segid "SH2 " and resid 20 and name HB% )
4.500 2.400 1.500 peak 4292 weight 0.10000E+01 volume 0.48069E-03 ppm1 9.340 ppm2 1.420 CV 1
ASSI { 3568}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 33 and name HN ))
4.600 2.400 1.400 peak 3568 weight 0.10000E+01 volume 0.44764E-03 ppm1 0.370 ppm2 9.340 CV 1
ASSI { 3705}
( segid "SH2 " and resid 48 and name HG1%)
(( segid "SH2 " and resid 33 and name HN ))
4.100 1.700 1.700 peak 3705 weight 0.10000E+01 volume 0.13009E-02 ppm1 0.900 ppm2 9.340 CV 1
ASSI { 4290}
(( segid "SH2 " and resid 33 and name HN ))
( segid "SH2 " and resid 32 and name HE% )
4.200 1.900 1.800 peak 4290 weight 0.10000E+01 volume 0.94635E-03 ppm1 9.340 ppm2 7.620 CV 1
ASSI { 3567}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 33 and name HN ))
2.700 1.300 1.300 peak 3567 weight 0.10000E+01 volume 0.37554E-02 ppm1 0.560 ppm2 9.340 CV 1
ASSI { 3394}
(( segid "SH2 " and resid 33 and name HA ))
(( segid "SH2 " and resid 33 and name HN ))
2.800 1.600 1.600 peak 3394 weight 0.10000E+01 volume 0.16043E-02 ppm1 4.780 ppm2 9.340 CV 1
ASSI { 3393}
(( segid "SH2 " and resid 48 and name HA ))
(( segid "SH2 " and resid 33 and name HN ))
3.800 1.800 1.800 peak 3393 weight 0.10000E+01 volume 0.12318E-02 ppm1 5.000 ppm2 9.340 CV 1
ASSI { 3564}
(( segid "SH2 " and resid 32 and name HB2 ))
(( segid "SH2 " and resid 33 and name HN ))
2.600 1.500 1.500 peak 3564 weight 0.10000E+01 volume 0.23253E-02 ppm1 2.660 ppm2 9.340 CV 1
ASSI { 3844}
( segid "SH2 " and resid 32 and name HD% )
(( segid "SH2 " and resid 33 and name HN ))
3.100 1.600 1.600 peak 3844 weight 0.10000E+01 volume 0.16013E-02 ppm1 6.750 ppm2 9.340 CV 1
ASSI { 3565}
(( segid "SH2 " and resid 32 and name HB1 ))
(( segid "SH2 " and resid 33 and name HN ))
3.400 1.300 1.300 peak 3565 weight 0.10000E+01 volume 0.31846E-02 ppm1 3.250 ppm2 9.340 CV 1
ASSI { 145}
(( segid "SH2 " and resid 33 and name HG ))
(( segid "SH2 " and resid 33 and name HN ))
2.600 1.400 1.400 peak 145 weight 0.10000E+01 volume 0.26018E-02 ppm1 1.630 ppm2 9.340 CV 1
ASSI { 3563}
(( segid "SH2 " and resid 46 and name HA ))
(( segid "SH2 " and resid 33 and name HN ))
4.300 2.400 1.700 peak 3563 weight 0.10000E+01 volume 0.48369E-03 ppm1 5.150 ppm2 9.340 CV 1
ASSI { 1823}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 37 and name HN ))
5.200 2.800 0.800 peak 1823 weight 0.10000E+01 volume 0.29893E-03 ppm1 0.400 ppm2 8.060 CV 1
ASSI { 1822}
( segid "SH2 " and resid 44 and name HD% )
(( segid "SH2 " and resid 37 and name HN ))
4.400 2.100 1.600 peak 1822 weight 0.10000E+01 volume 0.68200E-03 ppm1 7.050 ppm2 8.060 CV 1
ASSI { 109}
(( segid "SH2 " and resid 44 and name HA ))
(( segid "SH2 " and resid 37 and name HN ))
2.900 1.400 1.400 peak 109 weight 0.10000E+01 volume 0.26829E-02 ppm1 5.380 ppm2 8.060 CV 1
ASSI { 114}
(( segid "SH2 " and resid 36 and name HB1 ))
(( segid "SH2 " and resid 37 and name HN ))
3.200 1.600 1.600 peak 114 weight 0.10000E+01 volume 0.17936E-02 ppm1 2.770 ppm2 8.060 CV 1
ASSI { 113}
(( segid "SH2 " and resid 37 and name HB1 ))
(( segid "SH2 " and resid 37 and name HN ))
2.400 1.400 1.400 peak 113 weight 0.10000E+01 volume 0.26378E-02 ppm1 3.250 ppm2 8.060 CV 1
ASSI { 3035}
(( segid "SH2 " and resid 36 and name HA ))
(( segid "SH2 " and resid 37 and name HN ))
2.300 1.100 1.100 peak 3035 weight 0.10000E+01 volume 0.54979E-02 ppm1 4.890 ppm2 8.060 CV 1
ASSI { 2562}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "SH2 " and resid 37 and name HN ))
3.100 1.700 1.700 peak 2562 weight 0.10000E+01 volume 0.14962E-02 ppm1 0.900 ppm2 8.060 CV 1
ASSI { 111}
(( segid "SH2 " and resid 37 and name HA ))
(( segid "SH2 " and resid 37 and name HN ))
2.800 1.600 1.600 peak 111 weight 0.10000E+01 volume 0.18116E-02 ppm1 4.470 ppm2 8.060 CV 1
ASSI { 4295}
(( segid "SH2 " and resid 110 and name HN ))
(( segid "SH2 " and resid 105 and name HA ))
4.300 2.600 1.700 peak 4295 weight 0.10000E+01 volume 0.34249E-03 ppm1 7.230 ppm2 3.790 CV 1
ASSI { 3783}
( segid "SH2 " and resid 105 and name HE% )
(( segid "SH2 " and resid 110 and name HN ))
3.900 2.200 2.100 peak 3783 weight 0.10000E+01 volume 0.58582E-03 ppm1 6.810 ppm2 7.240 CV 1
ASSI { 1368}
(( segid "SH2 " and resid 38 and name HN ))
(( segid "SH2 " and resid 37 and name HN ))
5.100 2.800 0.900 peak 1368 weight 0.10000E+01 volume 0.28811E-03 ppm1 0.030 ppm2 8.060 CV 1
ASSI { 4296}
(( segid "SH2 " and resid 110 and name HN ))
( segid "SH2 " and resid 109 and name HG2%)
3.800 1.900 1.900 peak 4296 weight 0.10000E+01 volume 0.10665E-02 ppm1 7.240 ppm2 1.230 CV 1
ASSI { 96}
(( segid "SH2 " and resid 110 and name HA ))
(( segid "SH2 " and resid 110 and name HN ))
2.700 1.300 1.300 peak 96 weight 0.10000E+01 volume 0.31846E-02 ppm1 4.710 ppm2 7.240 CV 1
ASSI { 98}
(( segid "SH2 " and resid 109 and name HB ))
(( segid "SH2 " and resid 110 and name HN ))
4.000 1.800 1.800 peak 98 weight 0.10000E+01 volume 0.12558E-02 ppm1 4.040 ppm2 7.230 CV 1
ASSI { 4303}
(( segid "SH2 " and resid 42 and name HN ))
(( segid "SH2 " and resid 41 and name HG2 ))
4.500 2.000 1.500 peak 4303 weight 0.10000E+01 volume 0.82017E-03 ppm1 8.730 ppm2 1.880 CV 1
OR { 4303}
(( segid "SH2 " and resid 42 and name HN ))
(( segid "SH2 " and resid 41 and name HG1 ))
ASSI { 88}
(( segid "SH2 " and resid 41 and name HB2 ))
(( segid "SH2 " and resid 42 and name HN ))
3.600 1.900 1.900 peak 88 weight 0.10000E+01 volume 0.91929E-03 ppm1 2.240 ppm2 8.730 CV 1
ASSI { 75}
(( segid "SH2 " and resid 99 and name HA ))
(( segid "SH2 " and resid 103 and name HN ))
4.500 2.900 1.500 peak 75 weight 0.10000E+01 volume 0.24725E-03 ppm1 3.690 ppm2 6.760 CV 1
ASSI { 82}
( segid "SH2 " and resid 103 and name HG2%)
(( segid "SH2 " and resid 103 and name HN ))
3.700 1.800 1.800 peak 82 weight 0.10000E+01 volume 0.11687E-02 ppm1 0.460 ppm2 6.750 CV 1
ASSI { 78}
(( segid "SH2 " and resid 102 and name HD1 ))
(( segid "SH2 " and resid 103 and name HN ))
4.100 1.600 1.600 peak 78 weight 0.10000E+01 volume 0.17245E-02 ppm1 1.870 ppm2 6.760 CV 1
OR { 78}
(( segid "SH2 " and resid 102 and name HD2 ))
(( segid "SH2 " and resid 103 and name HN ))
ASSI { 72}
(( segid "SH2 " and resid 102 and name HA ))
(( segid "SH2 " and resid 103 and name HN ))
3.200 1.900 1.900 peak 72 weight 0.10000E+01 volume 0.91929E-03 ppm1 4.560 ppm2 6.750 CV 1
ASSI { 71}
(( segid "SH2 " and resid 101 and name HA ))
(( segid "SH2 " and resid 103 and name HN ))
3.600 1.800 1.800 peak 71 weight 0.10000E+01 volume 0.11146E-02 ppm1 4.920 ppm2 6.750 CV 1
ASSI { 81}
( segid "SH2 " and resid 103 and name HD1%)
(( segid "SH2 " and resid 103 and name HN ))
4.400 2.200 1.600 peak 81 weight 0.10000E+01 volume 0.62788E-03 ppm1 0.700 ppm2 6.750 CV 1
ASSI { 4304}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 104 and name HB1 ))
5.600 2.800 0.400 peak 4304 weight 0.10000E+01 volume 0.27279E-03 ppm1 6.750 ppm2 3.000 CV 1
ASSI { 4307}
(( segid "SH2 " and resid 103 and name HN ))
( segid "SH2 " and resid 110 and name HG2%)
4.100 2.500 1.900 peak 4307 weight 0.10000E+01 volume 0.40558E-03 ppm1 6.760 ppm2 0.130 CV 1
ASSI { 4309}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 101 and name HB1 ))
5.100 2.800 0.900 peak 4309 weight 0.10000E+01 volume 0.27099E-03 ppm1 6.760 ppm2 3.310 CV 1
ASSI { 1448}
(( segid "SH2 " and resid 89 and name HG2 ))
(( segid "SH2 " and resid 89 and name HE22))
4.000 1.800 1.800 peak 1448 weight 0.10000E+01 volume 0.12438E-02 ppm1 2.190 ppm2 6.340 CV 1
OR { 1448}
(( segid "SH2 " and resid 89 and name HG1 ))
(( segid "SH2 " and resid 89 and name HE22))
ASSI { 1449}
(( segid "SH2 " and resid 89 and name HB1 ))
(( segid "SH2 " and resid 89 and name HE22))
4.200 2.100 1.800 peak 1449 weight 0.10000E+01 volume 0.72105E-03 ppm1 1.940 ppm2 6.330 CV 1
ASSI { 1447}
(( segid "SH2 " and resid 89 and name HA ))
(( segid "SH2 " and resid 89 and name HE22))
5.600 2.900 0.400 peak 1447 weight 0.10000E+01 volume 0.25296E-03 ppm1 4.160 ppm2 6.330 CV 1
ASSI { 1442}
(( segid "SH2 " and resid 18 and name HG2 ))
(( segid "SH2 " and resid 18 and name HE22))
4.700 2.400 1.300 peak 1442 weight 0.10000E+01 volume 0.45665E-03 ppm1 2.430 ppm2 6.870 CV 1
OR { 1442}
(( segid "SH2 " and resid 18 and name HG1 ))
(( segid "SH2 " and resid 18 and name HE22))
ASSI { 1443}
(( segid "SH2 " and resid 18 and name HG2 ))
(( segid "SH2 " and resid 18 and name HE21))
3.300 2.000 2.000 peak 1443 weight 0.10000E+01 volume 0.86823E-03 ppm1 2.420 ppm2 7.490 CV 1
OR { 1443}
(( segid "SH2 " and resid 18 and name HG1 ))
(( segid "SH2 " and resid 18 and name HE21))
ASSI { 1424}
(( segid "SH2 " and resid 26 and name HN ))
(( segid "SH2 " and resid 25 and name HE21))
4.100 2.300 1.900 peak 1424 weight 0.10000E+01 volume 0.50773E-03 ppm1 8.970 ppm2 7.350 CV 1
ASSI { 1425}
(( segid "SH2 " and resid 26 and name HN ))
(( segid "SH2 " and resid 25 and name HE22))
4.800 2.600 1.200 peak 1425 weight 0.10000E+01 volume 0.34850E-03 ppm1 8.950 ppm2 6.800 CV 1
ASSI { 1430}
(( segid "SH2 " and resid 25 and name HB2 ))
(( segid "SH2 " and resid 25 and name HE22))
3.700 1.500 1.500 peak 1430 weight 0.10000E+01 volume 0.21691E-02 ppm1 2.140 ppm2 6.800 CV 1
OR { 1430}
(( segid "SH2 " and resid 25 and name HB1 ))
(( segid "SH2 " and resid 25 and name HE22))
ASSI { 1429}
(( segid "SH2 " and resid 25 and name HG2 ))
(( segid "SH2 " and resid 25 and name HE22))
4.400 2.200 1.600 peak 1429 weight 0.10000E+01 volume 0.64294E-03 ppm1 2.380 ppm2 6.800 CV 1
OR { 1429}
(( segid "SH2 " and resid 25 and name HG1 ))
(( segid "SH2 " and resid 25 and name HE22))
ASSI { 1427}
(( segid "SH2 " and resid 25 and name HA ))
(( segid "SH2 " and resid 25 and name HE22))
4.900 2.800 1.100 peak 1427 weight 0.10000E+01 volume 0.28992E-03 ppm1 3.900 ppm2 6.810 CV 1
ASSI { 2047}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 25 and name HE21))
4.000 2.800 2.000 peak 2047 weight 0.10000E+01 volume 0.29923E-03 ppm1 0.970 ppm2 7.340 CV 1
ASSI { 1421}
(( segid "SH2 " and resid 25 and name HB2 ))
(( segid "SH2 " and resid 25 and name HE21))
3.000 1.300 1.300 peak 1421 weight 0.10000E+01 volume 0.32446E-02 ppm1 2.140 ppm2 7.350 CV 1
OR { 1421}
(( segid "SH2 " and resid 25 and name HB1 ))
(( segid "SH2 " and resid 25 and name HE21))
ASSI { 1420}
(( segid "SH2 " and resid 25 and name HG2 ))
(( segid "SH2 " and resid 25 and name HE21))
3.200 1.800 1.800 peak 1420 weight 0.10000E+01 volume 0.10845E-02 ppm1 2.380 ppm2 7.350 CV 1
OR { 1420}
(( segid "SH2 " and resid 25 and name HG1 ))
(( segid "SH2 " and resid 25 and name HE21))
ASSI { 2048}
( segid "SH2 " and resid 21 and name HG1%)
(( segid "SH2 " and resid 25 and name HE22))
4.300 2.500 1.700 peak 2048 weight 0.10000E+01 volume 0.38756E-03 ppm1 0.970 ppm2 6.800 CV 1
ASSI { 1446}
(( segid "SH2 " and resid 25 and name HN ))
(( segid "SH2 " and resid 25 and name HE21))
5.100 3.100 0.900 peak 1446 weight 0.10000E+01 volume 0.21330E-03 ppm1 8.690 ppm2 7.350 CV 1
ASSI { 2598}
(( segid "SH2 " and resid 51 and name HB1 ))
(( segid "SH2 " and resid 52 and name HN ))
4.800 2.500 1.200 peak 2598 weight 0.10000E+01 volume 0.38455E-03 ppm1 3.010 ppm2 10.280 CV 1
ASSI { 4317}
(( segid "SH2 " and resid 52 and name HA ))
(( segid "SH2 " and resid 52 and name HN ))
2.300 1.100 1.100 peak 4317 weight 0.10000E+01 volume 0.63694E-02 ppm1 4.300 ppm2 10.270 CV 1
ASSI { 3868}
(( segid "SH2 " and resid 29 and name HD2 ))
(( segid "SH2 " and resid 52 and name HN ))
3.800 2.100 2.100 peak 3868 weight 0.10000E+01 volume 0.71200E-03 ppm1 7.060 ppm2 10.280 CV 1
ASSI { 2599}
(( segid "SH2 " and resid 51 and name HB2 ))
(( segid "SH2 " and resid 52 and name HN ))
4.900 2.700 1.100 peak 2599 weight 0.10000E+01 volume 0.31846E-03 ppm1 2.710 ppm2 10.270 CV 1
ASSI { 3651}
(( segid "SH2 " and resid 50 and name HN ))
(( segid "SH2 " and resid 52 and name HN ))
4.100 2.400 1.900 peak 3651 weight 0.10000E+01 volume 0.46867E-03 ppm1 8.510 ppm2 10.270 CV 1
ASSI { 2236}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 60 and name HD21))
4.800 2.700 1.200 peak 2236 weight 0.10000E+01 volume 0.31545E-03 ppm1 0.400 ppm2 7.430 CV 1
ASSI { 1480}
(( segid "SH2 " and resid 60 and name HB2 ))
(( segid "SH2 " and resid 60 and name HD22))
4.600 2.400 1.400 peak 1480 weight 0.10000E+01 volume 0.44163E-03 ppm1 2.550 ppm2 6.710 CV 1
ASSI { 1481}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 60 and name HD22))
4.200 2.000 1.800 peak 1481 weight 0.10000E+01 volume 0.89829E-03 ppm1 2.870 ppm2 6.710 CV 1
ASSI { 1479}
(( segid "SH2 " and resid 60 and name HB2 ))
(( segid "SH2 " and resid 60 and name HD21))
3.600 2.500 2.400 peak 1479 weight 0.10000E+01 volume 0.41760E-03 ppm1 2.540 ppm2 7.420 CV 1
ASSI { 1482}
(( segid "SH2 " and resid 60 and name HB1 ))
(( segid "SH2 " and resid 60 and name HD21))
3.500 1.900 1.900 peak 1482 weight 0.10000E+01 volume 0.96741E-03 ppm1 2.880 ppm2 7.430 CV 1
ASSI { 1478}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "SH2 " and resid 60 and name HD21))
3.800 2.100 2.100 peak 1478 weight 0.10000E+01 volume 0.69100E-03 ppm1 0.990 ppm2 7.430 CV 1
ASSI { 1477}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "SH2 " and resid 60 and name HD22))
3.300 1.800 1.800 peak 1477 weight 0.10000E+01 volume 0.11807E-02 ppm1 0.990 ppm2 6.710 CV 1
ASSI { 2238}
(( segid "SH2 " and resid 61 and name HN ))
(( segid "SH2 " and resid 60 and name HD21))
4.400 2.200 1.600 peak 2238 weight 0.10000E+01 volume 0.57982E-03 ppm1 9.080 ppm2 7.430 CV 1
ASSI { 2235}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "SH2 " and resid 60 and name HD22))
4.300 2.400 1.700 peak 2235 weight 0.10000E+01 volume 0.44163E-03 ppm1 0.400 ppm2 6.710 CV 1
ASSI { 1550}
(( segid "SH2 " and resid 63 and name HA2 ))
(( segid "SH2 " and resid 63 and name HN ))
2.700 1.300 1.300 peak 1550 weight 0.10000E+01 volume 0.34850E-02 ppm1 4.150 ppm2 8.290 CV 1
OR { 1550}
(( segid "SH2 " and resid 63 and name HA1 ))
(( segid "SH2 " and resid 63 and name HN ))
ASSI { 1553}
(( segid "SH2 " and resid 62 and name HN ))
(( segid "SH2 " and resid 63 and name HN ))
4.500 2.200 1.500 peak 1553 weight 0.10000E+01 volume 0.59182E-03 ppm1 8.600 ppm2 8.280 CV 1
ASSI { 1551}
(( segid "SH2 " and resid 62 and name HB2 ))
(( segid "SH2 " and resid 63 and name HN ))
4.100 1.800 1.800 peak 1551 weight 0.10000E+01 volume 0.11086E-02 ppm1 3.880 ppm2 8.290 CV 1
OR { 1551}
(( segid "SH2 " and resid 62 and name HB1 ))
(( segid "SH2 " and resid 63 and name HN ))
ASSI { 3915}
(( segid "SH2 " and resid 39 and name HA ))
(( segid "SH2 " and resid 39 and name HN ))
3.000 1.600 1.600 peak 3915 weight 0.10000E+01 volume 0.17515E-02 ppm1 4.420 ppm2 7.470 CV 1
ASSI { 4323}
(( segid "SH2 " and resid 39 and name HN ))
(( segid "SH2 " and resid 38 and name HB2 ))
3.700 2.300 2.300 peak 4323 weight 0.10000E+01 volume 0.55580E-03 ppm1 7.470 ppm2 4.010 CV 1
OR { 4323}
(( segid "SH2 " and resid 39 and name HN ))
(( segid "SH2 " and resid 38 and name HB1 ))
ASSI { 1511}
(( segid "SH2 " and resid 38 and name HN ))
(( segid "SH2 " and resid 39 and name HN ))
3.000 1.800 1.800 peak 1511 weight 0.10000E+01 volume 0.12017E-02 ppm1 0.020 ppm2 7.470 CV 1
ASSI { 3294}
(( segid "SH2 " and resid 93 and name HN ))
(( segid "SH2 " and resid 97 and name HA ))
4.700 2.600 1.300 peak 3294 weight 0.10000E+01 volume 0.35451E-03 ppm1 7.390 ppm2 1.940 CV 1
ASSI { 51}
( segid "SH2 " and resid 84 and name HD1%)
(( segid "SH2 " and resid 93 and name HN ))
3.700 1.800 1.800 peak 51 weight 0.10000E+01 volume 0.12678E-02 ppm1 0.690 ppm2 7.390 CV 1
ASSI { 3386}
( segid "SH2 " and resid 91 and name HD% )
(( segid "SH2 " and resid 93 and name HN ))
4.100 1.700 1.700 peak 3386 weight 0.10000E+01 volume 0.13880E-02 ppm1 6.980 ppm2 7.390 CV 1
ASSI { 48}
(( segid "SH2 " and resid 91 and name HB2 ))
(( segid "SH2 " and resid 93 and name HN ))
3.600 1.600 1.600 peak 48 weight 0.10000E+01 volume 0.18446E-02 ppm1 2.430 ppm2 7.390 CV 1
ASSI { 47}
(( segid "SH2 " and resid 93 and name HB2 ))
(( segid "SH2 " and resid 93 and name HN ))
3.100 1.600 1.600 peak 47 weight 0.10000E+01 volume 0.18386E-02 ppm1 4.030 ppm2 7.390 CV 1
OR { 47}
(( segid "SH2 " and resid 93 and name HB1 ))
(( segid "SH2 " and resid 93 and name HN ))
ASSI { 3384}
(( segid "SH2 " and resid 91 and name HB1 ))
(( segid "SH2 " and resid 93 and name HN ))
2.500 1.400 1.400 peak 3384 weight 0.10000E+01 volume 0.28902E-02 ppm1 3.280 ppm2 7.390 CV 1
ASSI { 57}
(( segid "SH2 " and resid 93 and name HA ))
(( segid "SH2 " and resid 93 and name HN ))
2.800 1.500 1.500 peak 57 weight 0.10000E+01 volume 0.23163E-02 ppm1 4.570 ppm2 7.390 CV 1
ASSI { 55}
(( segid "SH2 " and resid 94 and name HN ))
(( segid "SH2 " and resid 93 and name HN ))
4.100 2.400 1.900 peak 55 weight 0.10000E+01 volume 0.46567E-03 ppm1 9.370 ppm2 7.390 CV 1
ASSI { 56}
(( segid "SH2 " and resid 92 and name HN ))
(( segid "SH2 " and resid 93 and name HN ))
2.600 1.300 1.300 peak 56 weight 0.10000E+01 volume 0.32146E-02 ppm1 9.140 ppm2 7.390 CV 1
ASSI { 3240}
(( segid "SH2 " and resid 93 and name HN ))
(( segid "SH2 " and resid 84 and name HG ))
4.200 2.800 1.800 peak 3240 weight 0.10000E+01 volume 0.28210E-03 ppm1 7.390 ppm2 1.200 CV 1
ASSI { 2850}
(( segid "SH2 " and resid 17 and name HB1 ))
(( segid "SH2 " and resid 17 and name HE ))
4.000 3.100 2.000 peak 2850 weight 0.10000E+01 volume 0.20039E-03 ppm1 1.580 ppm2 7.650 CV 1
ASSI { 2848}
(( segid "SH2 " and resid 17 and name HD2 ))
(( segid "SH2 " and resid 17 and name HE ))
3.900 2.800 2.100 peak 2848 weight 0.10000E+01 volume 0.29442E-03 ppm1 2.850 ppm2 7.670 CV 1
OR { 2848}
(( segid "SH2 " and resid 17 and name HD1 ))
(( segid "SH2 " and resid 17 and name HE ))
ASSI { 2849}
(( segid "SH2 " and resid 17 and name HG1 ))
(( segid "SH2 " and resid 17 and name HE ))
4.500 3.000 1.500 peak 2849 weight 0.10000E+01 volume 0.22743E-03 ppm1 2.060 ppm2 7.680 CV 1
OR { 2849}
(( segid "SH2 " and resid 17 and name HG2 ))
(( segid "SH2 " and resid 17 and name HE ))
ASSI { 44}
(( segid "SH2 " and resid 77 and name HB2 ))
(( segid "SH2 " and resid 78 and name HN ))
4.700 2.600 1.300 peak 44 weight 0.10000E+01 volume 0.34850E-03 ppm1 2.280 ppm2 8.380 CV 1
OR { 44}
(( segid "SH2 " and resid 77 and name HB1 ))
(( segid "SH2 " and resid 78 and name HN ))
ASSI { 3099}
(( segid "SH2 " and resid 29 and name HD2 ))
(( segid "SH2 " and resid 30 and name HN ))
4.500 2.000 1.500 peak 3099 weight 0.10000E+01 volume 0.88629E-03 ppm1 7.060 ppm2 9.420 CV 1
ASSI { 3634}
( segid "SH2 " and resid 109 and name HG2%)
(( segid "SH2 " and resid 30 and name HN ))
3.200 1.600 1.600 peak 3634 weight 0.10000E+01 volume 0.15742E-02 ppm1 1.230 ppm2 9.430 CV 1
ASSI { 3524}
(( segid "SH2 " and resid 112 and name HB ))
(( segid "SH2 " and resid 30 and name HN ))
5.800 3.000 0.200 peak 3524 weight 0.10000E+01 volume 0.23343E-03 ppm1 1.600 ppm2 9.430 CV 1
ASSI { 3642}
(( segid "SH2 " and resid 49 and name HB2 ))
(( segid "SH2 " and resid 30 and name HN ))
4.600 2.100 1.400 peak 3642 weight 0.10000E+01 volume 0.69100E-03 ppm1 3.970 ppm2 9.430 CV 1
ASSI { 3636}
(( segid "SH2 " and resid 29 and name HB1 ))
(( segid "SH2 " and resid 30 and name HN ))
3.300 1.700 1.700 peak 3636 weight 0.10000E+01 volume 0.13549E-02 ppm1 3.140 ppm2 9.430 CV 1
OR { 3636}
(( segid "SH2 " and resid 29 and name HB2 ))
(( segid "SH2 " and resid 30 and name HN ))
ASSI { 3641}
(( segid "SH2 " and resid 29 and name HA ))
(( segid "SH2 " and resid 30 and name HN ))
2.300 1.100 1.100 peak 3641 weight 0.10000E+01 volume 0.52575E-02 ppm1 4.600 ppm2 9.430 CV 1
ASSI { 4341}
(( segid "SH2 " and resid 30 and name HN ))
(( segid "SH2 " and resid 31 and name HB ))
4.800 2.300 1.200 peak 4341 weight 0.10000E+01 volume 0.53176E-03 ppm1 9.420 ppm2 2.120 CV 1
ASSI { 4340}
(( segid "SH2 " and resid 30 and name HN ))
(( segid "SH2 " and resid 48 and name HB ))
4.000 2.500 2.000 peak 4340 weight 0.10000E+01 volume 0.42060E-03 ppm1 9.430 ppm2 1.830 CV 1
ASSI { 22}
(( segid "SH2 " and resid 78 and name HA2 ))
(( segid "SH2 " and resid 78 and name HN ))
2.900 1.500 1.500 peak 22 weight 0.10000E+01 volume 0.22953E-02 ppm1 3.930 ppm2 8.370 CV 1
OR { 22}
(( segid "SH2 " and resid 78 and name HA1 ))
(( segid "SH2 " and resid 78 and name HN ))
ASSI { 21}
(( segid "SH2 " and resid 77 and name HA ))
(( segid "SH2 " and resid 78 and name HN ))
2.700 1.400 1.400 peak 21 weight 0.10000E+01 volume 0.25026E-02 ppm1 4.420 ppm2 8.360 CV 1
ASSI { 1535}
(( segid "SH2 " and resid 50 and name HB1 ))
(( segid "SH2 " and resid 50 and name HN ))
3.900 2.100 2.100 peak 1535 weight 0.10000E+01 volume 0.66694E-03 ppm1 2.120 ppm2 8.510 CV 1
ASSI { 3860}
( segid "SH2 " and resid 54 and name HG1%)
(( segid "SH2 " and resid 50 and name HN ))
4.700 2.200 1.300 peak 3860 weight 0.10000E+01 volume 0.63088E-03 ppm1 0.370 ppm2 8.510 CV 1
ASSI { 4342}
(( segid "SH2 " and resid 50 and name HN ))
(( segid "SH2 " and resid 48 and name HB ))
2.900 2.900 3.100 peak 4342 weight 0.10000E+01 volume 0.29682E-02 ppm1 8.510 ppm2 1.850 CV 1
ASSI { 3858}
(( segid "SH2 " and resid 55 and name HN ))
(( segid "SH2 " and resid 50 and name HN ))
3.500 1.800 1.800 peak 3858 weight 0.10000E+01 volume 0.12408E-02 ppm1 9.030 ppm2 8.510 CV 1
ASSI { 3735}
(( segid "SH2 " and resid 50 and name HA ))
(( segid "SH2 " and resid 50 and name HN ))
2.900 1.500 1.500 peak 3735 weight 0.10000E+01 volume 0.19979E-02 ppm1 4.180 ppm2 8.510 CV 1
ASSI { 4351}
(( segid "SH2 " and resid 10 and name HE1 ))
(( segid "SH2 " and resid 95 and name HB2 ))
4.700 2.100 1.300 peak 4351 weight 0.10000E+01 volume 0.77211E-03 ppm1 10.530 ppm2 2.030 CV 1
ASSI { 4350}
(( segid "SH2 " and resid 10 and name HE1 ))
(( segid "SH2 " and resid 95 and name HB1 ))
4.000 2.400 2.000 peak 4350 weight 0.10000E+01 volume 0.44163E-03 ppm1 10.540 ppm2 2.360 CV 1
ASSI { 2361}
(( segid "SH2 " and resid 10 and name HB2 ))
(( segid "SH2 " and resid 10 and name HE1 ))
4.600 2.300 1.400 peak 2361 weight 0.10000E+01 volume 0.54378E-03 ppm1 3.020 ppm2 10.530 CV 1
ASSI { 2354}
(( segid "SH2 " and resid 10 and name HD1 ))
(( segid "SH2 " and resid 10 and name HE1 ))
2.200 0.900 0.900 peak 2354 weight 0.10000E+01 volume 0.13880E-01 ppm1 7.390 ppm2 10.540 CV 1
ASSI { 3665}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 10 and name HE1 ))
4.300 2.100 1.700 peak 3665 weight 0.10000E+01 volume 0.74806E-03 ppm1 3.810 ppm2 10.530 CV 1
ASSI { 3047}
(( segid "SH2 " and resid 10 and name HN ))
(( segid "SH2 " and resid 10 and name HE1 ))
3.900 2.200 2.100 peak 3047 weight 0.10000E+01 volume 0.62488E-03 ppm1 6.750 ppm2 10.540 CV 1
ASSI { 3963}
(( segid "SH2 " and resid 10 and name HE1 ))
(( segid "SH2 " and resid 10 and name HH2 ))
4.500 2.200 1.500 peak 3963 weight 0.10000E+01 volume 0.57682E-03 ppm1 10.530 ppm2 6.950 CV 1
ASSI { 4359}
(( segid "SH2 " and resid 12 and name HE1 ))
(( segid "SH2 " and resid 12 and name HE3 ))
4.000 2.500 2.000 peak 4359 weight 0.10000E+01 volume 0.41459E-03 ppm1 10.880 ppm2 7.610 CV 1
ASSI { 3439}
( segid "SH2 " and resid 115 and name HG1%)
(( segid "SH2 " and resid 12 and name HE1 ))
3.600 1.300 1.300 peak 3439 weight 0.10000E+01 volume 0.37554E-02 ppm1 0.820 ppm2 10.880 CV 1
ASSI { 2374}
(( segid "SH2 " and resid 12 and name HZ2 ))
(( segid "SH2 " and resid 12 and name HE1 ))
2.600 1.200 1.200 peak 2374 weight 0.10000E+01 volume 0.46867E-02 ppm1 7.150 ppm2 10.880 CV 1
ASSI { 2379}
(( segid "SH2 " and resid 12 and name HN ))
(( segid "SH2 " and resid 12 and name HE1 ))
4.200 1.900 1.800 peak 2379 weight 0.10000E+01 volume 0.96135E-03 ppm1 9.340 ppm2 10.880 CV 1
ASSI { 2375}
(( segid "SH2 " and resid 12 and name HD1 ))
(( segid "SH2 " and resid 12 and name HE1 ))
2.300 1.100 1.100 peak 2375 weight 0.10000E+01 volume 0.64894E-02 ppm1 7.460 ppm2 10.880 CV 1
ASSI { 3449}
(( segid "SH2 " and resid 33 and name HB2 ))
(( segid "SH2 " and resid 12 and name HE1 ))
3.000 1.500 1.500 peak 3449 weight 0.10000E+01 volume 0.23013E-02 ppm1 1.800 ppm2 10.880 CV 1
OR { 3449}
(( segid "SH2 " and resid 33 and name HB1 ))
(( segid "SH2 " and resid 12 and name HE1 ))
ASSI { 3953}
(( segid "SH2 " and resid 12 and name HE1 ))
( segid "SH2 " and resid 33 and name HD2%)
4.100 2.100 1.900 peak 3953 weight 0.10000E+01 volume 0.70300E-03 ppm1 10.880 ppm2 0.640 CV 1
ASSI { 2332}
(( segid "SH2 " and resid 10 and name HA ))
(( segid "SH2 " and resid 12 and name HE1 ))
3.100 1.800 1.800 peak 2332 weight 0.10000E+01 volume 0.12017E-02 ppm1 5.070 ppm2 10.880 CV 1
ASSI { 3954}
(( segid "SH2 " and resid 12 and name HE1 ))
(( segid "SH2 " and resid 115 and name HN ))
4.900 2.400 1.100 peak 3954 weight 0.10000E+01 volume 0.46567E-03 ppm1 10.880 ppm2 8.250 CV 1
ASSI { 3}
( segid "SH2 " and resid 11 and name HD% )
(( segid "SH2 " and resid 13 and name HN ))
3.900 2.100 2.100 peak 3 weight 0.10000E+01 volume 0.70900E-03 ppm1 7.050 ppm2 5.280 CV 1
ASSI { 2}
( segid "SH2 " and resid 11 and name HE% )
(( segid "SH2 " and resid 13 and name HN ))
3.900 2.100 2.100 peak 2 weight 0.10000E+01 volume 0.73306E-03 ppm1 6.980 ppm2 5.280 CV 1
ASSI { 4}
(( segid "SH2 " and resid 14 and name HN ))
(( segid "SH2 " and resid 13 and name HN ))
5.100 2.500 0.900 peak 4 weight 0.10000E+01 volume 0.40558E-03 ppm1 8.540 ppm2 5.280 CV 1
ASSI { 21}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "PEP " and resid 224 and name HA ))
5.000 2.400 1.000 peak 21 weight 0.10000E+01 volume 0.49754E-03 ppm1 0.390 ppm2 4.400 CV 1
ASSI { 20}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "PEP " and resid 224 and name HD1 ))
5.500 2.200 0.500 peak 20 weight 0.10000E+01 volume 0.62777E-03 ppm1 0.400 ppm2 3.830 CV 1
OR { 20}
( segid "SH2 " and resid 106 and name HD2%)
(( segid "PEP " and resid 224 and name HD2 ))
ASSI { 11}
(( segid "SH2 " and resid 87 and name HA1 ))
(( segid "PEP " and resid 224 and name HG2 ))
2.900 1.600 1.600 peak 11 weight 0.10000E+01 volume 0.18781E-02 ppm1 4.010 ppm2 2.110 CV 1
OR { 11}
(( segid "SH2 " and resid 87 and name HA1 ))
(( segid "PEP " and resid 224 and name HG1 ))
ASSI { 177}
(( segid "SH2 " and resid 87 and name HA2 ))
(( segid "PEP " and resid 224 and name HG2 ))
3.700 1.600 1.600 peak 177 weight 0.10000E+01 volume 0.19974E-02 ppm1 3.760 ppm2 2.110 CV 1
OR { 177}
(( segid "SH2 " and resid 87 and name HA2 ))
(( segid "PEP " and resid 224 and name HG1 ))
ASSI { 51}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "PEP " and resid 221 and name HB1 ))
5.000 2.300 1.000 peak 51 weight 0.10000E+01 volume 0.53437E-03 ppm1 1.210 ppm2 3.150 CV 1
ASSI { 52}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "PEP " and resid 221 and name HB2 ))
6.000 2.600 0.000 peak 52 weight 0.10000E+01 volume 0.37510E-03 ppm1 1.200 ppm2 2.920 CV 1
ASSI { 50}
( segid "SH2 " and resid 45 and name HG1%)
(( segid "PEP " and resid 221 and name HD2 ))
2.500 1.100 1.100 peak 50 weight 0.10000E+01 volume 0.73153E-02 ppm1 1.200 ppm2 7.120 CV 1
ASSI { 169}
( segid "SH2 " and resid 57 and name HE% )
(( segid "PEP " and resid 224 and name HD1 ))
4.300 2.000 1.700 peak 169 weight 0.10000E+01 volume 0.85085E-03 ppm1 6.410 ppm2 3.830 CV 1
ASSI { 35}
( segid "SH2 " and resid 57 and name HE% )
(( segid "PEP " and resid 224 and name HB1 ))
4.500 2.000 1.500 peak 35 weight 0.10000E+01 volume 0.87157E-03 ppm1 6.410 ppm2 2.310 CV 1
OR { 35}
( segid "SH2 " and resid 57 and name HE% )
(( segid "PEP " and resid 224 and name HB2 ))
ASSI { 36}
( segid "SH2 " and resid 57 and name HE% )
(( segid "PEP " and resid 224 and name HG1 ))
5.000 2.200 1.000 peak 36 weight 0.10000E+01 volume 0.67962E-03 ppm1 6.410 ppm2 2.040 CV 1
OR { 36}
( segid "SH2 " and resid 57 and name HE% )
(( segid "PEP " and resid 224 and name HG2 ))
ASSI { 25}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HD1 ))
4.500 2.100 1.500 peak 25 weight 0.10000E+01 volume 0.73673E-03 ppm1 -0.630 ppm2 3.670 CV 1
OR { 25}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HD2 ))
ASSI { 27}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HG1 ))
3.000 1.500 1.500 peak 27 weight 0.10000E+01 volume 0.22672E-02 ppm1 -0.630 ppm2 2.080 CV 1
OR { 27}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HG2 ))
ASSI { 23}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HA ))
4.300 2.000 1.700 peak 23 weight 0.10000E+01 volume 0.89235E-03 ppm1 -0.630 ppm2 4.400 CV 1
ASSI { 26}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HB1 ))
3.300 1.500 1.500 peak 26 weight 0.10000E+01 volume 0.25162E-02 ppm1 -0.630 ppm2 2.320 CV 1
OR { 26}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "PEP " and resid 224 and name HB2 ))
ASSI { 53}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "PEP " and resid 221 and name HD2 ))
3.300 1.200 1.200 peak 53 weight 0.10000E+01 volume 0.46122E-02 ppm1 0.920 ppm2 7.100 CV 1
OR { 53}
( segid "SH2 " and resid 45 and name HG2%)
(( segid "PEP " and resid 221 and name HD1 ))
ASSI { 43}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 221 and name HB2 ))
2.200 1.200 1.200 peak 43 weight 0.10000E+01 volume 0.52400E-02 ppm1 0.990 ppm2 2.940 CV 1
ASSI { 44}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 220 and name HB2 ))
4.300 1.600 1.600 peak 44 weight 0.10000E+01 volume 0.20026E-02 ppm1 0.990 ppm2 2.450 CV 1
OR { 44}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 220 and name HB1 ))
ASSI { 42}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 221 and name HB1 ))
2.500 1.100 1.100 peak 42 weight 0.10000E+01 volume 0.67962E-02 ppm1 0.990 ppm2 3.150 CV 1
ASSI { 38}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 221 and name HD2 ))
3.900 1.300 1.300 peak 38 weight 0.10000E+01 volume 0.39533E-02 ppm1 0.990 ppm2 7.200 CV 1
OR { 38}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 221 and name HD1 ))
ASSI { 45}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 220 and name HG2 ))
5.100 2.300 0.900 peak 45 weight 0.10000E+01 volume 0.56550E-03 ppm1 0.990 ppm2 1.980 CV 1
OR { 45}
( segid "SH2 " and resid 58 and name HG2%)
(( segid "PEP " and resid 220 and name HG1 ))
ASSI { 17}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "PEP " and resid 224 and name HB2 ))
5.400 2.300 0.600 peak 17 weight 0.10000E+01 volume 0.60699E-03 ppm1 1.320 ppm2 2.330 CV 1
OR { 17}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "PEP " and resid 224 and name HB1 ))
ASSI { 13}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "PEP " and resid 224 and name HG2 ))
4.200 1.800 1.800 peak 13 weight 0.10000E+01 volume 0.12970E-02 ppm1 1.320 ppm2 2.080 CV 1
OR { 13}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "PEP " and resid 224 and name HG1 ))
ASSI { 14}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "PEP " and resid 224 and name HD2 ))
5.400 2.100 0.600 peak 14 weight 0.10000E+01 volume 0.75745E-03 ppm1 1.320 ppm2 3.670 CV 1
OR { 14}
( segid "SH2 " and resid 86 and name HG2%)
(( segid "PEP " and resid 224 and name HD1 ))
ASSI { 54}
(( segid "SH2 " and resid 58 and name HB ))
(( segid "PEP " and resid 221 and name HD2 ))
3.400 2.100 2.100 peak 54 weight 0.10000E+01 volume 0.75224E-03 ppm1 1.190 ppm2 7.170 CV 1
OR { 54}
(( segid "SH2 " and resid 58 and name HB ))
(( segid "PEP " and resid 221 and name HD1 ))
ASSI { 55}
(( segid "SH2 " and resid 58 and name HB ))
(( segid "PEP " and resid 221 and name HB1 ))
2.700 2.000 2.000 peak 55 weight 0.10000E+01 volume 0.89755E-03 ppm1 1.180 ppm2 3.160 CV 1
ASSI { 56}
(( segid "SH2 " and resid 58 and name HB ))
(( segid "PEP " and resid 221 and name HB2 ))
2.900 2.100 2.100 peak 56 weight 0.10000E+01 volume 0.82493E-03 ppm1 1.180 ppm2 2.920 CV 1
ASSI { 58}
(( segid "SH2 " and resid 37 and name HB2 ))
(( segid "PEP " and resid 221 and name HD2 ))
4.700 2.000 1.300 peak 58 weight 0.10000E+01 volume 0.83529E-03 ppm1 3.270 ppm2 7.100 CV 1
OR { 58}
(( segid "SH2 " and resid 37 and name HB2 ))
(( segid "PEP " and resid 221 and name HD1 ))
OR { 58}
(( segid "SH2 " and resid 37 and name HB1 ))
(( segid "PEP " and resid 221 and name HD2 ))
ASSI { 5}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HB2 ))
4.800 1.800 1.200 peak 5 weight 0.10000E+01 volume 0.11569E-02 ppm1 0.490 ppm2 2.320 CV 1
OR { 5}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HB1 ))
ASSI { 2}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HD2 ))
2.800 1.400 1.400 peak 2 weight 0.10000E+01 volume 0.26926E-02 ppm1 0.490 ppm2 3.830 CV 1
OR { 2}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HD1 ))
ASSI { 4}
( segid "SH2 " and resid 86 and name HD1%)
(( segid "PEP " and resid 224 and name HA ))
6.000 2.500 0.000 peak 4 weight 0.10000E+01 volume 0.41297E-03 ppm1 0.490 ppm2 4.370 CV 1
ASSI { 1}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "PEP " and resid 221 and name HD1 ))
3.000 1.300 1.300 peak 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 0.420 ppm2 7.160 CV 1
OR { 1}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "PEP " and resid 221 and name HD2 ))
ASSI { 7}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "PEP " and resid 221 and name HB1 ))
4.100 1.600 1.600 peak 7 weight 0.10000E+01 volume 0.19611E-02 ppm1 0.420 ppm2 3.150 CV 1
ASSI { 8}
( segid "SH2 " and resid 58 and name HD1%)
(( segid "PEP " and resid 221 and name HB2 ))
3.600 1.700 1.700 peak 8 weight 0.10000E+01 volume 0.14008E-02 ppm1 0.420 ppm2 2.930 CV 1
ASSI { 115}
(( segid "SH2 " and resid 45 and name HA ))
(( segid "PEP " and resid 221 and name HE2 ))
4.900 2.100 1.100 peak 115 weight 0.10000E+01 volume 0.75745E-03 ppm1 4.800 ppm2 7.140 CV 1
ASSI { 31}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HG1 ))
4.600 2.600 1.400 peak 31 weight 0.10000E+01 volume 0.37925E-03 ppm1 6.710 ppm2 2.070 CV 1
OR { 31}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HG2 ))
ASSI { 29}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HA ))
4.100 2.300 1.900 peak 29 weight 0.10000E+01 volume 0.54475E-03 ppm1 6.730 ppm2 4.400 CV 1
ASSI { 83}
( segid "SH2 " and resid 57 and name HD% )
( segid "PEP " and resid 222 and name HB% )
4.200 2.500 1.800 peak 83 weight 0.10000E+01 volume 0.41401E-03 ppm1 6.710 ppm2 1.360 CV 1
ASSI { 30}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HD1 ))
3.000 2.000 2.000 peak 30 weight 0.10000E+01 volume 0.88714E-03 ppm1 6.720 ppm2 3.820 CV 1
OR { 30}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HD2 ))
ASSI { 28}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HB1 ))
5.100 2.500 0.900 peak 28 weight 0.10000E+01 volume 0.46122E-03 ppm1 6.720 ppm2 2.390 CV 1
OR { 28}
( segid "SH2 " and resid 57 and name HD% )
(( segid "PEP " and resid 224 and name HB2 ))
ASSI { 116}
(( segid "SH2 " and resid 45 and name HB ))
(( segid "PEP " and resid 221 and name HE2 ))
4.900 2.300 1.100 peak 116 weight 0.10000E+01 volume 0.54994E-03 ppm1 1.950 ppm2 7.100 CV 1
ASSI { 122}
(( segid "SH2 " and resid 58 and name HA ))
(( segid "PEP " and resid 221 and name HB2 ))
5.100 2.200 0.900 peak 122 weight 0.10000E+01 volume 0.65890E-03 ppm1 4.330 ppm2 2.930 CV 1
ASSI { 88}
(( segid "SH2 " and resid 86 and name HA ))
(( segid "PEP " and resid 224 and name HG2 ))
4.900 2.000 1.100 peak 88 weight 0.10000E+01 volume 0.91827E-03 ppm1 4.850 ppm2 2.080 CV 1
OR { 88}
(( segid "SH2 " and resid 86 and name HA ))
(( segid "PEP " and resid 224 and name HG1 ))
ASSI { 120}
(( segid "SH2 " and resid 58 and name HA ))
(( segid "PEP " and resid 221 and name HE2 ))
4.000 1.900 1.900 peak 120 weight 0.10000E+01 volume 0.10895E-02 ppm1 4.330 ppm2 7.190 CV 1
OR { 120}
(( segid "SH2 " and resid 58 and name HA ))
(( segid "PEP " and resid 221 and name HE1 ))
ASSI { 87}
(( segid "SH2 " and resid 86 and name HA ))
(( segid "PEP " and resid 224 and name HD2 ))
4.900 2.100 1.100 peak 87 weight 0.10000E+01 volume 0.77302E-03 ppm1 4.850 ppm2 3.660 CV 1
ASSI { 75}
(( segid "SH2 " and resid 57 and name HA ))
( segid "PEP " and resid 222 and name HB% )
4.200 2.400 1.800 peak 75 weight 0.10000E+01 volume 0.50169E-03 ppm1 4.890 ppm2 1.360 CV 1
ASSI { 125}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 221 and name HB1 ))
3.900 2.300 2.100 peak 125 weight 0.10000E+01 volume 0.56550E-03 ppm1 4.910 ppm2 3.170 CV 1
ASSI { 176}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 224 and name HD1 ))
5.100 2.600 0.900 peak 176 weight 0.10000E+01 volume 0.38962E-03 ppm1 4.910 ppm2 3.670 CV 1
OR { 176}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 224 and name HD2 ))
ASSI { 76}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 224 and name HG1 ))
5.900 2.600 0.100 peak 76 weight 0.10000E+01 volume 0.39637E-03 ppm1 4.900 ppm2 2.080 CV 1
OR { 76}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 224 and name HG2 ))
ASSI { 126}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 221 and name HB2 ))
5.700 2.400 0.300 peak 126 weight 0.10000E+01 volume 0.52400E-03 ppm1 4.910 ppm2 2.950 CV 1
ASSI { 149}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 221 and name HD2 ))
3.900 2.200 2.100 peak 149 weight 0.10000E+01 volume 0.67962E-03 ppm1 4.910 ppm2 7.170 CV 1
OR { 149}
(( segid "SH2 " and resid 57 and name HA ))
(( segid "PEP " and resid 221 and name HD1 ))
ASSI { 49}
(( segid "SH2 " and resid 56 and name HB2 ))
(( segid "PEP " and resid 221 and name HD2 ))
3.400 1.700 1.700 peak 49 weight 0.10000E+01 volume 0.16239E-02 ppm1 2.730 ppm2 7.160 CV 1
ASSI { 48}
(( segid "SH2 " and resid 56 and name HB1 ))
(( segid "PEP " and resid 221 and name HD2 ))
4.500 1.600 1.500 peak 48 weight 0.10000E+01 volume 0.18677E-02 ppm1 3.070 ppm2 7.180 CV 1
ASSI { 132}
(( segid "SH2 " and resid 106 and name HA ))
(( segid "PEP " and resid 224 and name HG1 ))
5.700 2.000 0.300 peak 132 weight 0.10000E+01 volume 0.85600E-03 ppm1 4.120 ppm2 2.080 CV 1
OR { 132}
(( segid "SH2 " and resid 106 and name HA ))
(( segid "PEP " and resid 224 and name HG2 ))
ASSI { 921}
(( segid "SH3 " and resid 309 and name HN ))
( segid "SH3 " and resid 329 and name HD1%)
3.100 1.400 1.400 peak 921 weight 0.10000E+01 volume 0.26781E-02 ppm1 8.370 ppm2 0.640 CV 1
OR { 921}
(( segid "SH3 " and resid 309 and name HN ))
( segid "SH3 " and resid 357 and name HG2%)
OR { 921}
(( segid "SH3 " and resid 309 and name HN ))
( segid "SH3 " and resid 310 and name HD2%)
ASSI { 316}
(( segid "SH3 " and resid 331 and name HN ))
( segid "SH3 " and resid 332 and name HD1%)
4.900 2.500 1.100 peak 316 weight 0.10000E+01 volume 0.43654E-03 ppm1 8.570 ppm2 0.590 CV 1
OR { 316}
(( segid "SH3 " and resid 331 and name HN ))
( segid "SH3 " and resid 352 and name HG2%)
ASSI { 958}
(( segid "SH3 " and resid 308 and name HN ))
( segid "SH3 " and resid 309 and name HB% )
4.400 2.100 1.600 peak 958 weight 0.10000E+01 volume 0.73475E-03 ppm1 9.440 ppm2 1.560 CV 1
OR { 958}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 306 and name HG ))
OR { 958}
(( segid "SH3 " and resid 308 and name HN ))
(( segid "SH3 " and resid 331 and name HB ))
ASSI { 960}
(( segid "SH3 " and resid 326 and name HN ))
( segid "SH3 " and resid 309 and name HB% )
2.600 1.200 1.200 peak 960 weight 0.10000E+01 volume 0.49932E-02 ppm1 8.950 ppm2 1.550 CV 1
OR { 960}
(( segid "SH3 " and resid 326 and name HN ))
(( segid "SH3 " and resid 325 and name HG1 ))
ASSI { 1657}
(( segid "SH3 " and resid 315 and name HA ))
( segid "SH3 " and resid 314 and name HG1%)
5.000 2.400 1.000 peak 1657 weight 0.10000E+01 volume 0.46499E-03 ppm1 3.790 ppm2 0.820 CV 1
OR { 1657}
(( segid "SH3 " and resid 315 and name HA ))
(( segid "SH3 " and resid 321 and name HB2 ))
ASSI { 1186}
(( segid "SH3 " and resid 308 and name HA ))
( segid "SH3 " and resid 309 and name HB% )
3.600 1.500 1.500 peak 1186 weight 0.10000E+01 volume 0.21680E-02 ppm1 5.250 ppm2 1.550 CV 1
OR { 1186}
(( segid "SH3 " and resid 308 and name HA ))
(( segid "SH3 " and resid 329 and name HB1 ))
ASSI { 3188}
(( segid "SH2 " and resid 113 and name HB2 ))
( segid "SH2 " and resid 31 and name HG2%)
2.800 2.800 3.200 peak 3188 weight 0.10000E+01 volume 0.56867E-02 ppm1 2.170 ppm2 0.940 CV 1
OR { 3188}
(( segid "SH2 " and resid 113 and name HB2 ))
( segid "SH2 " and resid 115 and name HG1%)
ASSI { 2829}
(( segid "SH2 " and resid 24 and name HA ))
( segid "SH2 " and resid 31 and name HG2%)
2.900 1.300 1.300 peak 2829 weight 0.10000E+01 volume 0.30330E-02 ppm1 4.160 ppm2 0.940 CV 1
OR { 2829}
(( segid "SH2 " and resid 24 and name HA ))
( segid "SH2 " and resid 115 and name HG1%)
ASSI { 2830}
(( segid "SH2 " and resid 20 and name HA ))
(( segid "SH2 " and resid 23 and name HG ))
3.500 1.600 1.600 peak 2830 weight 0.10000E+01 volume 0.18223E-02 ppm1 3.780 ppm2 0.940 CV 1
OR { 2830}
(( segid "SH2 " and resid 20 and name HA ))
( segid "SH2 " and resid 115 and name HG1%)
ASSI { 2597}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 33 and name HB2 ))
3.600 1.500 1.500 peak 2597 weight 0.10000E+01 volume 0.23405E-02 ppm1 3.770 ppm2 1.810 CV 1
OR { 2597}
(( segid "SH2 " and resid 10 and name HB1 ))
(( segid "SH2 " and resid 33 and name HB1 ))
OR { 2597}
(( segid "SH2 " and resid 20 and name HA ))
(( segid "SH2 " and resid 33 and name HB1 ))
OR { 2597}
(( segid "SH2 " and resid 20 and name HA ))
(( segid "SH2 " and resid 33 and name HB2 ))
ASSI { 2865}
(( segid "SH2 " and resid 104 and name HA ))
( segid "SH2 " and resid 110 and name HG2%)
3.800 1.900 1.900 peak 2865 weight 0.10000E+01 volume 0.10287E-02 ppm1 4.380 ppm2 0.140 CV 1
OR { 2865}
(( segid "SH2 " and resid 111 and name HA ))
( segid "SH2 " and resid 110 and name HG2%)
ASSI { 166}
(( segid "SH2 " and resid 111 and name HA ))
( segid "SH2 " and resid 48 and name HG1%)
3.600 1.500 1.500 peak 166 weight 0.10000E+01 volume 0.21636E-02 ppm1 4.410 ppm2 0.900 CV 1
OR { 166}
(( segid "SH2 " and resid 111 and name HA ))
( segid "SH2 " and resid 112 and name HG2%)
ASSI { 2879}
(( segid "SH2 " and resid 28 and name HB1 ))
( segid "SH2 " and resid 31 and name HG2%)
3.700 1.800 1.800 peak 2879 weight 0.10000E+01 volume 0.11551E-02 ppm1 1.770 ppm2 0.910 CV 1
OR { 2879}
(( segid "SH2 " and resid 28 and name HB1 ))
( segid "SH2 " and resid 112 and name HG2%)
ASSI { 1470}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 46 and name HA ))
4.700 2.300 1.300 peak 1470 weight 0.10000E+01 volume 0.54594E-03 ppm1 0.700 ppm2 5.170 CV 1
OR { 1470}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 90 and name HA ))
ASSI { 2888}
( segid "SH2 " and resid 97 and name HD1%)
( segid "SH2 " and resid 91 and name HD% )
3.200 1.300 1.300 peak 2888 weight 0.10000E+01 volume 0.36649E-02 ppm1 0.700 ppm2 6.980 CV 1
OR { 2888}
( segid "SH2 " and resid 97 and name HD1%)
(( segid "SH2 " and resid 97 and name HN ))
ASSI { 619}
(( segid "SH2 " and resid 84 and name HA ))
( segid "SH2 " and resid 84 and name HD1%)
3.400 3.400 2.600 peak 619 weight 0.10000E+01 volume 0.24441E-02 ppm1 5.180 ppm2 0.710 CV 1
OR { 619}
(( segid "SH2 " and resid 46 and name HA ))
( segid "SH2 " and resid 59 and name HD1%)
ASSI { 3373}
(( segid "SH2 " and resid 17 and name HG2 ))
( segid "SH2 " and resid 45 and name HG2%)
3.300 1.300 1.300 peak 3373 weight 0.10000E+01 volume 0.32352E-02 ppm1 2.020 ppm2 0.890 CV 1
OR { 3373}
(( segid "SH2 " and resid 17 and name HG1 ))
( segid "SH2 " and resid 45 and name HG2%)
OR { 3373}
(( segid "SH2 " and resid 67 and name HG2 ))
( segid "SH2 " and resid 68 and name HG1%)
OR { 3373}
(( segid "SH2 " and resid 67 and name HG2 ))
( segid "SH2 " and resid 68 and name HG2%)
ASSI { 2953}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 86 and name HB ))
3.700 1.600 1.600 peak 2953 weight 0.10000E+01 volume 0.18198E-02 ppm1 0.370 ppm2 1.820 CV 1
OR { 2953}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 33 and name HB2 ))
OR { 2953}
( segid "SH2 " and resid 106 and name HD1%)
(( segid "SH2 " and resid 86 and name HB ))
OR { 2953}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 33 and name HB1 ))
OR { 2953}
( segid "SH2 " and resid 46 and name HD2%)
(( segid "SH2 " and resid 48 and name HB ))
ASSI { 3336}
(( segid "SH2 " and resid 67 and name HD1 ))
(( segid "SH2 " and resid 68 and name HN ))
4.400 2.200 1.600 peak 3336 weight 0.10000E+01 volume 0.61163E-03 ppm1 3.650 ppm2 7.810 CV 1
OR { 3336}
(( segid "SH2 " and resid 77 and name HD2 ))
(( segid "SH2 " and resid 79 and name HN ))
ASSI { 2986}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 97 and name HB1 ))
3.200 1.300 1.300 peak 2986 weight 0.10000E+01 volume 0.31341E-02 ppm1 0.570 ppm2 1.690 CV 1
OR { 2986}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 97 and name HB2 ))
OR { 2986}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 59 and name HB ))
ASSI { 2984}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 94 and name HA ))
3.000 3.000 3.000 peak 2984 weight 0.10000E+01 volume 0.71024E-02 ppm1 0.580 ppm2 4.020 CV 1
OR { 2984}
( segid "SH2 " and resid 46 and name HD1%)
(( segid "SH2 " and resid 96 and name HA ))
ASSI { 2981}
( segid "SH2 " and resid 97 and name HD2%)
( segid "SH2 " and resid 91 and name HE% )
2.900 1.100 1.100 peak 2981 weight 0.10000E+01 volume 0.53078E-02 ppm1 0.510 ppm2 7.020 CV 1
OR { 2981}
( segid "SH2 " and resid 97 and name HD2%)
(( segid "SH2 " and resid 97 and name HN ))
ASSI { 2611}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 94 and name HA ))
3.400 1.400 1.400 peak 2611 weight 0.10000E+01 volume 0.24744E-02 ppm1 0.890 ppm2 4.020 CV 1
OR { 2611}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 93 and name HB2 ))
OR { 2611}
( segid "SH2 " and resid 84 and name HD2%)
(( segid "SH2 " and resid 93 and name HB1 ))
ASSI { 3270}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 28 and name HD2 ))
3.700 1.700 1.700 peak 3270 weight 0.10000E+01 volume 0.13648E-02 ppm1 1.080 ppm2 3.150 CV 1
OR { 3270}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 29 and name HB1 ))
OR { 3270}
( segid "SH2 " and resid 31 and name HG1%)
(( segid "SH2 " and resid 29 and name HB2 ))
ASSI { 2319}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 10 and name HB1 ))
4.400 1.800 1.600 peak 2319 weight 0.10000E+01 volume 0.11753E-02 ppm1 1.200 ppm2 3.770 CV 1
OR { 2319}
( segid "SH2 " and resid 34 and name HG1%)
(( segid "SH2 " and resid 95 and name HD1 ))
ASSI { 929}
( segid "SH2 " and resid 98 and name HD2%)
( segid "SH2 " and resid 44 and name HD% )
3.100 3.100 2.900 peak 929 weight 0.10000E+01 volume 0.19512E-02 ppm1 -0.010 ppm2 7.030 CV 1
OR { 929}
( segid "SH2 " and resid 98 and name HD2%)
( segid "SH2 " and resid 91 and name HE% )
OR { 929}
( segid "SH2 " and resid 98 and name HD2%)
( segid "SH2 " and resid 100 and name HE% )
ASSI { 1291}
( segid "SH2 " and resid 106 and name HD2%)
( segid "SH2 " and resid 59 and name HD1%)
3.100 2.100 2.100 peak 1291 weight 0.10000E+01 volume 0.67990E-03 ppm1 -0.660 ppm2 0.720 CV 1
OR { 1291}
( segid "SH2 " and resid 106 and name HD2%)
( segid "SH2 " and resid 97 and name HD1%)
ASSI { 1162}
( segid "SH2 " and resid 48 and name HG2%)
( segid "SH2 " and resid 57 and name HD% )
2.900 1.300 1.300 peak 1162 weight 0.10000E+01 volume 0.30330E-02 ppm1 0.910 ppm2 6.720 CV 1
OR { 1162}
( segid "SH2 " and resid 48 and name HG2%)
( segid "SH2 " and resid 32 and name HD% )
ASSI { 2743}
(( segid "SH2 " and resid 28 and name HD2 ))
( segid "SH2 " and resid 112 and name HG2%)
3.600 1.600 1.600 peak 2743 weight 0.10000E+01 volume 0.17516E-02 ppm1 3.150 ppm2 0.910 CV 1
OR { 2743}
(( segid "SH2 " and resid 28 and name HD1 ))
( segid "SH2 " and resid 112 and name HG2%)
OR { 2743}
(( segid "SH2 " and resid 28 and name HD2 ))
( segid "SH2 " and resid 31 and name HG2%)
ASSI { 1857}
(( segid "SH2 " and resid 21 and name HA ))
( segid "SH2 " and resid 20 and name HB% )
4.000 2.200 2.000 peak 1857 weight 0.10000E+01 volume 0.64956E-03 ppm1 3.480 ppm2 1.430 CV 1
OR { 1857}
(( segid "SH2 " and resid 21 and name HA ))
( segid "SH2 " and resid 22 and name HB% )
ASSI { 1846}
( segid "SH2 " and resid 96 and name HB% )
( segid "SH2 " and resid 84 and name HD1%)
4.400 2.000 1.600 peak 1846 weight 0.10000E+01 volume 0.85934E-03 ppm1 1.580 ppm2 0.700 CV 1
OR { 1846}
( segid "SH2 " and resid 96 and name HB% )
( segid "SH2 " and resid 97 and name HD1%)
OR { 1846}
( segid "SH2 " and resid 96 and name HB% )
(( segid "SH2 " and resid 98 and name HB2 ))
ASSI { 3239}
( segid "SH2 " and resid 22 and name HB% )
(( segid "SH2 " and resid 21 and name HB ))
3.500 1.300 1.300 peak 3239 weight 0.10000E+01 volume 0.31846E-02 ppm1 1.430 ppm2 2.210 CV 1
OR { 3239}
( segid "SH2 " and resid 20 and name HB% )
(( segid "SH2 " and resid 21 and name HB ))
ASSI { 2621}
(( segid "SH2 " and resid 98 and name HB2 ))
(( segid "SH2 " and resid 95 and name HD1 ))
4.100 2.000 1.900 peak 2621 weight 0.10000E+01 volume 0.87197E-03 ppm1 0.700 ppm2 3.800 CV 1
OR { 2621}
(( segid "SH2 " and resid 98 and name HB2 ))
(( segid "SH2 " and resid 10 and name HB1 ))
ASSI { 3147}
( segid "SH2 " and resid 100 and name HE% )
(( segid "SH2 " and resid 89 and name HG1 ))
3.400 1.500 1.500 peak 3147 weight 0.10000E+01 volume 0.19614E-02 ppm1 7.030 ppm2 2.180 CV 1
OR { 3147}
( segid "SH2 " and resid 91 and name HE% )
(( segid "SH2 " and resid 89 and name HG1 ))
OR { 3147}
( segid "SH2 " and resid 91 and name HE% )
(( segid "SH2 " and resid 89 and name HG2 ))
OR { 3147}
( segid "SH2 " and resid 100 and name HE% )
(( segid "SH2 " and resid 89 and name HG2 ))
ASSI { 2730}
( segid "SH2 " and resid 57 and name HD% )
(( segid "SH2 " and resid 46 and name HB2 ))
3.700 2.000 2.000 peak 2730 weight 0.10000E+01 volume 0.88465E-03 ppm1 6.710 ppm2 1.240 CV 1
OR { 2730}
( segid "SH2 " and resid 57 and name HD% )
(( segid "SH2 " and resid 106 and name HB2 ))
ASSI { 981}
(( segid "SH2 " and resid 97 and name HA ))
(( segid "SH2 " and resid 84 and name HG ))
4.000 4.000 2.000 peak 981 weight 0.10000E+01 volume 0.12840E-02 ppm1 1.960 ppm2 1.200 CV 1
OR { 981}
(( segid "SH2 " and resid 97 and name HA ))
( segid "SH2 " and resid 34 and name HG1%)
ASSI { 3167}
(( segid "SH2 " and resid 98 and name HA ))
(( segid "SH2 " and resid 97 and name HN ))
4.400 2.100 1.600 peak 3167 weight 0.10000E+01 volume 0.66728E-03 ppm1 3.360 ppm2 7.010 CV 1
OR { 3167}
(( segid "SH2 " and resid 98 and name HA ))
( segid "SH2 " and resid 91 and name HE% )
ASSI { 3977}
(( segid "SH2 " and resid 15 and name HN ))
(( segid "SH2 " and resid 12 and name HB1 ))
4.300 2.000 1.700 peak 3977 weight 0.10000E+01 volume 0.78411E-03 ppm1 7.720 ppm2 3.600 CV 1
OR { 3977}
(( segid "SH2 " and resid 15 and name HN ))
(( segid "SH2 " and resid 13 and name HA1 ))
ASSI { 3337}
(( segid "SH2 " and resid 46 and name HN ))
(( segid "SH2 " and resid 59 and name HB ))
4.300 2.200 1.700 peak 3337 weight 0.10000E+01 volume 0.60388E-03 ppm1 9.190 ppm2 1.700 CV 1
OR { 3337}
(( segid "SH2 " and resid 46 and name HN ))
(( segid "SH2 " and resid 35 and name HG1 ))
ASSI { 3991}
(( segid "SH2 " and resid 12 and name HN ))
( segid "SH2 " and resid 44 and name HD% )
3.700 3.700 2.300 peak 3991 weight 0.10000E+01 volume 0.18386E-02 ppm1 9.340 ppm2 7.050 CV 1
OR { 3991}
(( segid "SH2 " and resid 12 and name HN ))
(( segid "SH2 " and resid 12 and name HZ3 ))
ASSI { 3992}
(( segid "SH2 " and resid 12 and name HN ))
(( segid "SH2 " and resid 12 and name HD1 ))
2.900 1.600 1.600 peak 3992 weight 0.10000E+01 volume 0.18116E-02 ppm1 9.340 ppm2 7.460 CV 1
OR { 3992}
(( segid "SH2 " and resid 12 and name HN ))
(( segid "SH2 " and resid 10 and name HE3 ))
ASSI { 4010}
(( segid "SH2 " and resid 59 and name HN ))
(( segid "SH2 " and resid 43 and name HB1 ))
3.900 2.500 2.100 peak 4010 weight 0.10000E+01 volume 0.39356E-03 ppm1 8.820 ppm2 2.970 CV 1
OR { 4010}
(( segid "SH2 " and resid 59 and name HN ))
(( segid "SH2 " and resid 57 and name HB1 ))
ASSI { 3836}
(( segid "SH2 " and resid 31 and name HN ))
(( segid "SH2 " and resid 28 and name HB1 ))
3.600 2.100 2.100 peak 3836 weight 0.10000E+01 volume 0.76311E-03 ppm1 8.140 ppm2 1.790 CV 1
OR { 3836}
(( segid "SH2 " and resid 31 and name HN ))
(( segid "SH2 " and resid 33 and name HB1 ))
ASSI { 4051}
(( segid "SH2 " and resid 28 and name HN ))
( segid "SH2 " and resid 31 and name HG2%)
4.100 1.900 1.900 peak 4051 weight 0.10000E+01 volume 0.10095E-02 ppm1 8.870 ppm2 0.940 CV 1
OR { 4051}
(( segid "SH2 " and resid 28 and name HN ))
( segid "SH2 " and resid 115 and name HG1%)
ASSI { 4056}
(( segid "SH2 " and resid 86 and name HN ))
(( segid "SH2 " and resid 85 and name HN ))
4.200 2.000 1.800 peak 4056 weight 0.10000E+01 volume 0.78711E-03 ppm1 8.600 ppm2 8.990 CV 1
OR { 4056}
(( segid "SH2 " and resid 86 and name HN ))
(( segid "SH2 " and resid 91 and name HN ))
ASSI { 4058}
(( segid "SH2 " and resid 86 and name HN ))
(( segid "SH2 " and resid 85 and name HB2 ))
4.100 1.700 1.700 peak 4058 weight 0.10000E+01 volume 0.13039E-02 ppm1 8.600 ppm2 1.650 CV 1
OR { 4058}
(( segid "SH2 " and resid 86 and name HN ))
(( segid "SH2 " and resid 90 and name HB2 ))
ASSI { 3403}
(( segid "SH2 " and resid 60 and name HN ))
(( segid "SH2 " and resid 59 and name HA ))
2.100 1.000 1.000 peak 3403 weight 0.10000E+01 volume 0.87723E-02 ppm1 9.060 ppm2 4.500 CV 1
OR { 3403}
(( segid "SH2 " and resid 55 and name HN ))
(( segid "SH2 " and resid 55 and name HA ))
ASSI { 2845}
(( segid "SH2 " and resid 35 and name HN ))
(( segid "SH2 " and resid 59 and name HB ))
4.100 4.100 1.900 peak 2845 weight 0.10000E+01 volume 0.15773E-02 ppm1 9.600 ppm2 1.710 CV 1
OR { 2845}
(( segid "SH2 " and resid 35 and name HN ))
(( segid "SH2 " and resid 97 and name HB1 ))
ASSI { 4063}
(( segid "SH2 " and resid 16 and name HN ))
(( segid "SH2 " and resid 18 and name HN ))
5.600 3.000 0.400 peak 4063 weight 0.10000E+01 volume 0.21871E-03 ppm1 8.930 ppm2 8.560 CV 1
OR { 4063}
(( segid "SH2 " and resid 16 and name HN ))
(( segid "SH2 " and resid 14 and name HN ))
ASSI { 2549}
(( segid "SH2 " and resid 36 and name HN ))
(( segid "SH2 " and resid 37 and name HA ))
4.300 2.700 1.700 peak 2549 weight 0.10000E+01 volume 0.33648E-03 ppm1 9.010 ppm2 4.450 CV 1
OR { 2549}
(( segid "SH2 " and resid 36 and name HN ))
(( segid "SH2 " and resid 38 and name HA ))
ASSI { 2552}
(( segid "SH2 " and resid 36 and name HN ))
(( segid "SH2 " and resid 12 and name HN ))
4.600 2.600 1.400 peak 2552 weight 0.10000E+01 volume 0.37253E-03 ppm1 9.010 ppm2 9.330 CV 1
OR { 2552}
(( segid "SH2 " and resid 36 and name HN ))
(( segid "SH2 " and resid 34 and name HN ))
ASSI { 2724}
(( segid "SH2 " and resid 115 and name HN ))
(( segid "SH2 " and resid 23 and name HB1 ))
5.100 2.900 0.900 peak 2724 weight 0.10000E+01 volume 0.24695E-03 ppm1 8.240 ppm2 1.490 CV 1
OR { 2724}
(( segid "SH2 " and resid 115 and name HN ))
(( segid "SH2 " and resid 23 and name HB2 ))
OR { 2724}
(( segid "SH2 " and resid 115 and name HN ))
(( segid "SH2 " and resid 24 and name HB2 ))
ASSI { 966}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 48 and name HA ))
4.300 2.400 1.700 peak 966 weight 0.10000E+01 volume 0.45365E-03 ppm1 7.880 ppm2 5.000 CV 1
OR { 966}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 113 and name HA ))
ASSI { 4076}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 33 and name HB1 ))
4.100 2.000 1.900 peak 4076 weight 0.10000E+01 volume 0.84423E-03 ppm1 7.880 ppm2 1.830 CV 1
OR { 4076}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 114 and name HB1 ))
OR { 4076}
(( segid "SH2 " and resid 32 and name HN ))
(( segid "SH2 " and resid 114 and name HB2 ))
ASSI { 3246}
(( segid "SH2 " and resid 94 and name HN ))
(( segid "SH2 " and resid 94 and name HG ))
3.400 1.900 1.900 peak 3246 weight 0.10000E+01 volume 0.93135E-03 ppm1 9.370 ppm2 0.690 CV 1
OR { 3246}
(( segid "SH2 " and resid 94 and name HN ))
( segid "SH2 " and resid 84 and name HD1%)
ASSI { 3249}
(( segid "SH2 " and resid 94 and name HN ))
(( segid "SH2 " and resid 84 and name HB2 ))
5.000 2.900 1.000 peak 3249 weight 0.10000E+01 volume 0.25747E-03 ppm1 9.370 ppm2 1.600 CV 1
OR { 3249}
(( segid "SH2 " and resid 94 and name HN ))
( segid "SH2 " and resid 96 and name HB% )
OR { 3249}
(( segid "SH2 " and resid 94 and name HN ))
(( segid "SH2 " and resid 84 and name HB1 ))
ASSI { 2829}
(( segid "SH2 " and resid 53 and name HN ))
(( segid "SH2 " and resid 54 and name HA ))
3.400 1.800 1.800 peak 2829 weight 0.10000E+01 volume 0.12348E-02 ppm1 8.060 ppm2 4.800 CV 1
OR { 2829}
(( segid "SH2 " and resid 53 and name HN ))
(( segid "SH2 " and resid 49 and name HA ))
ASSI { 2431}
(( segid "SH2 " and resid 20 and name HN ))
(( segid "SH2 " and resid 17 and name HB2 ))
4.200 1.900 1.800 peak 2431 weight 0.10000E+01 volume 0.10004E-02 ppm1 8.250 ppm2 1.240 CV 1
OR { 2431}
(( segid "SH2 " and resid 20 and name HN ))
( segid "SH2 " and resid 21 and name HG1%)
ASSI { 804}
(( segid "SH2 " and resid 20 and name HN ))
(( segid "SH2 " and resid 23 and name HG ))
2.700 2.700 3.300 peak 804 weight 0.10000E+01 volume 0.99141E-02 ppm1 8.270 ppm2 0.940 CV 1
OR { 804}
(( segid "SH2 " and resid 20 and name HN ))
( segid "SH2 " and resid 54 and name HG1%)
ASSI { 4149}
(( segid "SH2 " and resid 112 and name HN ))
(( segid "SH2 " and resid 111 and name HG ))
3.700 1.600 1.600 peak 4149 weight 0.10000E+01 volume 0.16614E-02 ppm1 9.100 ppm2 0.820 CV 1
OR { 4149}
(( segid "SH2 " and resid 112 and name HN ))
( segid "SH2 " and resid 112 and name HD1%)
ASSI { 3574}
(( segid "SH2 " and resid 48 and name HN ))
( segid "SH2 " and resid 45 and name HG1%)
4.800 2.300 1.200 peak 3574 weight 0.10000E+01 volume 0.52275E-03 ppm1 8.780 ppm2 1.210 CV 1
OR { 3574}
(( segid "SH2 " and resid 48 and name HN ))
( segid "SH2 " and resid 109 and name HG2%)
ASSI { 4155}
(( segid "SH2 " and resid 25 and name HN ))
( segid "SH2 " and resid 54 and name HG1%)
3.200 1.200 1.200 peak 4155 weight 0.10000E+01 volume 0.44764E-02 ppm1 8.680 ppm2 0.960 CV 1
OR { 4155}
(( segid "SH2 " and resid 25 and name HN ))
( segid "SH2 " and resid 21 and name HG2%)
OR { 4155}
(( segid "SH2 " and resid 25 and name HN ))
(( segid "SH2 " and resid 23 and name HG ))
ASSI { 4157}
(( segid "SH2 " and resid 25 and name HN ))
(( segid "SH2 " and resid 24 and name HB2 ))
3.200 1.800 1.800 peak 4157 weight 0.10000E+01 volume 0.11867E-02 ppm1 8.680 ppm2 1.480 CV 1
OR { 4157}
(( segid "SH2 " and resid 25 and name HN ))
(( segid "SH2 " and resid 23 and name HB2 ))
ASSI { 4161}
(( segid "SH2 " and resid 56 and name HN ))
( segid "SH2 " and resid 48 and name HG2%)
4.300 2.400 1.700 peak 4161 weight 0.10000E+01 volume 0.47167E-03 ppm1 8.490 ppm2 0.920 CV 1
OR { 4161}
(( segid "SH2 " and resid 56 and name HN ))
( segid "SH2 " and resid 54 and name HG1%)
ASSI { 2428}
(( segid "SH2 " and resid 19 and name HN ))
(( segid "SH2 " and resid 22 and name HN ))
4.400 2.800 1.600 peak 2428 weight 0.10000E+01 volume 0.27579E-03 ppm1 7.880 ppm2 7.640 CV 1
OR { 2428}
(( segid "SH2 " and resid 19 and name HN ))
(( segid "SH2 " and resid 17 and name HE ))
ASSI { 3909}
(( segid "SH2 " and resid 100 and name HN ))
(( segid "SH2 " and resid 98 and name HB2 ))
4.500 2.500 1.500 peak 3909 weight 0.10000E+01 volume 0.38455E-03 ppm1 7.540 ppm2 0.700 CV 1
OR { 3909}
(( segid "SH2 " and resid 100 and name HN ))
( segid "SH2 " and resid 97 and name HD1%)
OR { 3909}
(( segid "SH2 " and resid 100 and name HN ))
( segid "SH2 " and resid 103 and name HD1%)
ASSI { 4169}
(( segid "SH2 " and resid 100 and name HN ))
( segid "SH2 " and resid 96 and name HB% )
4.000 2.200 2.000 peak 4169 weight 0.10000E+01 volume 0.65494E-03 ppm1 7.540 ppm2 1.590 CV 1
OR { 4169}
(( segid "SH2 " and resid 100 and name HN ))
(( segid "SH2 " and resid 102 and name HB1 ))
OR { 4169}
(( segid "SH2 " and resid 100 and name HN ))
(( segid "SH2 " and resid 102 and name HB2 ))
ASSI { 3910}
(( segid "SH2 " and resid 100 and name HN ))
( segid "SH2 " and resid 111 and name HD2%)
4.800 2.500 1.200 peak 3910 weight 0.10000E+01 volume 0.40257E-03 ppm1 7.540 ppm2 -0.010 CV 1
OR { 3910}
(( segid "SH2 " and resid 100 and name HN ))
( segid "SH2 " and resid 98 and name HD2%)
ASSI { 4172}
(( segid "SH2 " and resid 19 and name HN ))
( segid "SH2 " and resid 20 and name HB% )
4.000 1.800 1.800 peak 4172 weight 0.10000E+01 volume 0.11656E-02 ppm1 7.880 ppm2 1.430 CV 1
OR { 4172}
(( segid "SH2 " and resid 19 and name HN ))
( segid "SH2 " and resid 22 and name HB% )
ASSI { 4170}
(( segid "SH2 " and resid 100 and name HN ))
(( segid "SH2 " and resid 98 and name HG ))
5.000 2.500 1.000 peak 4170 weight 0.10000E+01 volume 0.38756E-03 ppm1 7.540 ppm2 1.240 CV 1
OR { 4170}
(( segid "SH2 " and resid 100 and name HN ))
(( segid "SH2 " and resid 46 and name HB2 ))
ASSI { 2466}
(( segid "SH2 " and resid 22 and name HN ))
( segid "SH2 " and resid 24 and name HD1%)
4.900 2.700 1.100 peak 2466 weight 0.10000E+01 volume 0.31545E-03 ppm1 7.650 ppm2 0.520 CV 1
OR { 2466}
(( segid "SH2 " and resid 90 and name HN ))
( segid "SH2 " and resid 97 and name HD2%)
OR { 2466}
(( segid "SH2 " and resid 22 and name HN ))
( segid "SH2 " and resid 15 and name HD2%)
ASSI { 3228}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 90 and name HB2 ))
4.900 2.600 1.100 peak 3228 weight 0.10000E+01 volume 0.36652E-03 ppm1 8.280 ppm2 1.630 CV 1
OR { 3228}
(( segid "SH2 " and resid 89 and name HN ))
(( segid "SH2 " and resid 85 and name HB2 ))
ASSI { 3263}
(( segid "SH2 " and resid 40 and name HN ))
(( segid "SH2 " and resid 39 and name HA ))
3.200 1.700 1.700 peak 3263 weight 0.10000E+01 volume 0.15052E-02 ppm1 7.620 ppm2 4.420 CV 1
OR { 3263}
(( segid "SH2 " and resid 40 and name HN ))
(( segid "SH2 " and resid 38 and name HA ))
ASSI { 2728}
(( segid "SH2 " and resid 44 and name HN ))
( segid "SH2 " and resid 45 and name HG2%)
4.100 2.400 1.900 peak 2728 weight 0.10000E+01 volume 0.49270E-03 ppm1 8.760 ppm2 0.910 CV 1
OR { 2728}
(( segid "SH2 " and resid 44 and name HN ))
( segid "SH2 " and resid 84 and name HD2%)
ASSI { 3850}
(( segid "SH2 " and resid 45 and name HN ))
( segid "SH2 " and resid 46 and name HD2%)
4.700 2.600 1.300 peak 3850 weight 0.10000E+01 volume 0.37854E-03 ppm1 9.790 ppm2 0.380 CV 1
OR { 3850}
(( segid "SH2 " and resid 45 and name HN ))
( segid "SH2 " and resid 94 and name HD2%)
ASSI { 4201}
(( segid "SH2 " and resid 96 and name HN ))
(( segid "SH2 " and resid 98 and name HG ))
4.700 2.700 1.300 peak 4201 weight 0.10000E+01 volume 0.31545E-03 ppm1 7.270 ppm2 1.210 CV 1
OR { 4201}
(( segid "SH2 " and resid 96 and name HN ))
(( segid "SH2 " and resid 84 and name HG ))
ASSI { 4195}
(( segid "SH2 " and resid 92 and name HN ))
( segid "SH2 " and resid 84 and name HD1%)
5.100 2.700 0.900 peak 4195 weight 0.10000E+01 volume 0.33949E-03 ppm1 9.140 ppm2 0.710 CV 1
OR { 4195}
(( segid "SH2 " and resid 92 and name HN ))
( segid "SH2 " and resid 97 and name HD1%)
ASSI { 4196}
(( segid "SH2 " and resid 92 and name HN ))
(( segid "SH2 " and resid 93 and name HA ))
4.900 2.700 1.100 peak 4196 weight 0.10000E+01 volume 0.30945E-03 ppm1 9.140 ppm2 4.570 CV 1
OR { 4196}
(( segid "SH2 " and resid 92 and name HN ))
(( segid "SH2 " and resid 83 and name HA ))
ASSI { 4203}
(( segid "SH2 " and resid 96 and name HN ))
(( segid "SH2 " and resid 98 and name HB2 ))
4.700 2.500 1.300 peak 4203 weight 0.10000E+01 volume 0.40558E-03 ppm1 7.280 ppm2 0.700 CV 1
OR { 4203}
(( segid "SH2 " and resid 96 and name HN ))
( segid "SH2 " and resid 84 and name HD1%)
OR { 4203}
(( segid "SH2 " and resid 96 and name HN ))
( segid "SH2 " and resid 97 and name HD1%)
ASSI { 4210}
(( segid "SH2 " and resid 92 and name HN ))
(( segid "SH2 " and resid 93 and name HB2 ))
5.200 2.800 0.800 peak 4210 weight 0.10000E+01 volume 0.28150E-03 ppm1 9.140 ppm2 4.030 CV 1
OR { 4210}
(( segid "SH2 " and resid 92 and name HN ))
(( segid "SH2 " and resid 93 and name HB1 ))
OR { 4210}
(( segid "SH2 " and resid 92 and name HN ))
(( segid "SH2 " and resid 96 and name HA ))
ASSI { 4216}
(( segid "SH2 " and resid 102 and name HN ))
( segid "SH2 " and resid 103 and name HD1%)
4.600 2.500 1.400 peak 4216 weight 0.10000E+01 volume 0.39957E-03 ppm1 7.340 ppm2 0.690 CV 1
OR { 4216}
(( segid "SH2 " and resid 102 and name HN ))
(( segid "SH2 " and resid 98 and name HB2 ))
ASSI { 4220}
(( segid "SH2 " and resid 98 and name HN ))
(( segid "SH2 " and resid 98 and name HB2 ))
2.700 1.400 1.400 peak 4220 weight 0.10000E+01 volume 0.24005E-02 ppm1 7.840 ppm2 0.700 CV 1
OR { 4220}
(( segid "SH2 " and resid 98 and name HN ))
( segid "SH2 " and resid 97 and name HD1%)
ASSI { 4229}
(( segid "SH2 " and resid 111 and name HN ))
( segid "SH2 " and resid 32 and name HD% )
5.700 2.900 0.300 peak 4229 weight 0.10000E+01 volume 0.26678E-03 ppm1 8.940 ppm2 6.740 CV 1
OR { 4229}
(( segid "SH2 " and resid 111 and name HN ))
(( segid "SH2 " and resid 103 and name HN ))
ASSI { 4235}
(( segid "SH2 " and resid 87 and name HN ))
(( segid "SH2 " and resid 86 and name HN ))
3.800 1.700 1.700 peak 4235 weight 0.10000E+01 volume 0.15472E-02 ppm1 9.360 ppm2 8.600 CV 1
OR { 4235}
(( segid "SH2 " and resid 87 and name HN ))
(( segid "SH2 " and resid 88 and name HN ))
ASSI { 4242}
(( segid "SH2 " and resid 101 and name HN ))
(( segid "SH2 " and resid 106 and name HB2 ))
4.600 2.000 1.400 peak 4242 weight 0.10000E+01 volume 0.79917E-03 ppm1 7.450 ppm2 1.250 CV 1
OR { 4242}
(( segid "SH2 " and resid 101 and name HN ))
(( segid "SH2 " and resid 46 and name HB2 ))
ASSI { 4243}
(( segid "SH2 " and resid 101 and name HN ))
(( segid "SH2 " and resid 103 and name HN ))
3.900 2.100 2.100 peak 4243 weight 0.10000E+01 volume 0.76611E-03 ppm1 7.450 ppm2 6.730 CV 1
OR { 4243}
(( segid "SH2 " and resid 101 and name HN ))
( segid "SH2 " and resid 57 and name HD% )
ASSI { 4241}
(( segid "SH2 " and resid 101 and name HN ))
(( segid "SH2 " and resid 97 and name HA ))
3.800 2.000 2.000 peak 4241 weight 0.10000E+01 volume 0.79611E-03 ppm1 7.460 ppm2 1.970 CV 1
OR { 4241}
(( segid "SH2 " and resid 101 and name HN ))
(( segid "SH2 " and resid 99 and name HB1 ))
OR { 4241}
(( segid "SH2 " and resid 101 and name HN ))
(( segid "SH2 " and resid 99 and name HB2 ))
ASSI { 3690}
(( segid "SH2 " and resid 101 and name HN ))
( segid "SH2 " and resid 106 and name HD1%)
4.800 2.500 1.200 peak 3690 weight 0.10000E+01 volume 0.38756E-03 ppm1 7.460 ppm2 0.370 CV 1
OR { 3690}
(( segid "SH2 " and resid 101 and name HN ))
( segid "SH2 " and resid 46 and name HD2%)
ASSI { 2424}
(( segid "SH2 " and resid 18 and name HN ))
( segid "SH2 " and resid 20 and name HB% )
4.400 2.300 1.600 peak 2424 weight 0.10000E+01 volume 0.51373E-03 ppm1 8.570 ppm2 1.420 CV 1
OR { 2424}
(( segid "SH2 " and resid 18 and name HN ))
( segid "SH2 " and resid 22 and name HB% )
ASSI { 4293}
(( segid "SH2 " and resid 33 and name HN ))
( segid "SH2 " and resid 34 and name HG1%)
4.700 2.200 1.300 peak 4293 weight 0.10000E+01 volume 0.62788E-03 ppm1 9.340 ppm2 1.210 CV 1
OR { 4293}
(( segid "SH2 " and resid 33 and name HN ))
( segid "SH2 " and resid 45 and name HG1%)
OR { 4293}
(( segid "SH2 " and resid 33 and name HN ))
(( segid "SH2 " and resid 98 and name HG ))
OR { 4293}
(( segid "SH2 " and resid 33 and name HN ))
(( segid "SH2 " and resid 111 and name HB2 ))
ASSI { 4297}
(( segid "SH2 " and resid 110 and name HN ))
( segid "SH2 " and resid 112 and name HD1%)
4.400 2.600 1.600 peak 4297 weight 0.10000E+01 volume 0.35150E-03 ppm1 7.230 ppm2 0.820 CV 1
OR { 4297}
(( segid "SH2 " and resid 110 and name HN ))
(( segid "SH2 " and resid 111 and name HG ))
ASSI { 4311}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 102 and name HG2 ))
4.500 2.500 1.500 peak 4311 weight 0.10000E+01 volume 0.41760E-03 ppm1 6.760 ppm2 1.220 CV 1
OR { 4311}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 102 and name HG1 ))
OR { 4311}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 111 and name HB2 ))
ASSI { 4310}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 104 and name HB1 ))
5.400 2.900 0.600 peak 4310 weight 0.10000E+01 volume 0.26288E-03 ppm1 6.770 ppm2 2.980 CV 1
OR { 4310}
(( segid "SH2 " and resid 103 and name HN ))
(( segid "SH2 " and resid 100 and name HB1 ))
ASSI { 4324}
(( segid "SH2 " and resid 39 and name HN ))
(( segid "SH2 " and resid 37 and name HB1 ))
4.800 2.700 1.200 peak 4324 weight 0.10000E+01 volume 0.33047E-03 ppm1 7.470 ppm2 3.250 CV 1
OR { 4324}
(( segid "SH2 " and resid 39 and name HN ))
(( segid "SH2 " and resid 40 and name HB2 ))
ASSI { 4334}
(( segid "SH2 " and resid 30 and name HN ))
(( segid "SH2 " and resid 49 and name HB1 ))
3.700 1.900 1.900 peak 4334 weight 0.10000E+01 volume 0.99741E-03 ppm1 9.430 ppm2 4.380 CV 1
OR { 4334}
(( segid "SH2 " and resid 30 and name HN ))
(( segid "SH2 " and resid 111 and name HA ))
ASSI { 4354}
(( segid "SH2 " and resid 10 and name HE1 ))
( segid "SH2 " and resid 34 and name HG1%)
5.000 2.900 1.000 peak 4354 weight 0.10000E+01 volume 0.25536E-03 ppm1 10.540 ppm2 1.210 CV 1
OR { 4354}
(( segid "SH2 " and resid 10 and name HE1 ))
(( segid "SH2 " and resid 98 and name HG ))
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