NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11952 |
1sa8   |
6134 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI { 35}
(( resid 16 and name HA ))
(( resid 2 and name HB2 ))
3.800 1.800 1.800 peak 35 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 3.197 CV 1
ASSI { 48}
(( resid 17 and name HN ))
(( resid 3 and name HN ))
2.800 2.800 3.200 peak 48 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 7.895 CV 1
ASSI { 82}
(( resid 14 and name HA ))
(( resid 4 and name HN ))
3.400 1.500 1.500 peak 82 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 8.671 CV 1
ASSI { 92}
(( resid 5 and name HN ))
(( resid 4 and name HA1 ))
3.000 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.331 ppm2 3.815 CV 1
ASSI { 110}
(( resid 106 and name HB3 ))
(( resid 5 and name HN ))
2.700 2.700 3.300 peak 110 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.740 ppm2 8.331 CV 1
ASSI { 111}
(( resid 106 and name HB2 ))
(( resid 5 and name HN ))
2.700 2.700 3.300 peak 111 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.953 ppm2 8.331 CV 1
ASSI { 121}
(( resid 6 and name HB3 ))
(( resid 5 and name HA ))
4.800 2.900 1.200 peak 121 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.918 ppm2 5.285 CV 1
ASSI { 127}
(( resid 106 and name HB3 ))
(( resid 5 and name HA ))
4.100 2.100 1.900 peak 127 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.740 ppm2 5.285 CV 1
ASSI { 133}
(( resid 6 and name HA ))
(( resid 5 and name HB ))
3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.280 ppm2 3.948 CV 1
ASSI { 136}
(( resid 106 and name HB2 ))
(( resid 5 and name HB ))
4.000 2.000 2.000 peak 136 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.953 ppm2 3.948 CV 1
ASSI { 143}
(( resid 14 and name HB ))
(( resid 5 and name HG2% ))
4.900 3.000 1.100 peak 143 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.087 ppm2 1.213 CV 1
ASSI { 144}
(( resid 14 and name HG2% ))
(( resid 5 and name HG2% ))
5.100 3.200 0.900 peak 144 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.278 ppm2 1.213 CV 1
ASSI { 153}
(( resid 7 and name HN ))
(( resid 6 and name HN ))
2.700 2.700 3.300 peak 153 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.796 ppm2 9.399 CV 1
ASSI { 154}
(( resid 7 and name HB2 ))
(( resid 6 and name HN ))
3.600 1.600 1.600 peak 154 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.980 ppm2 9.399 CV 1
ASSI { 171}
(( resid 7 and name HA ))
(( resid 6 and name HA ))
3.300 1.400 1.400 peak 171 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.950 ppm2 5.280 CV 1
ASSI { 172}
(( resid 7 and name HB2 ))
(( resid 6 and name HA ))
4.000 2.000 2.000 peak 172 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.980 ppm2 5.280 CV 1
ASSI { 173}
(( resid 13 and name HN ))
(( resid 6 and name HA ))
2.900 2.900 3.100 peak 173 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 5.280 CV 1
ASSI { 189}
(( resid 7 and name HN ))
(( resid 6 and name HB3 ))
3.300 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.796 ppm2 2.918 CV 1
ASSI { 192}
(( resid 13 and name HN ))
(( resid 6 and name HB3 ))
4.000 2.000 2.000 peak 192 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 2.918 CV 1
ASSI { 196}
(( resid and name ))
(( resid 6 and name HB3 ))
5.900 4.300 0.100 peak 196 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 2.918 CV 1
ASSI { 206}
(( resid 7 and name HN ))
(( resid 6 and name HB2 ))
3.900 1.900 1.900 peak 206 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.796 ppm2 3.236 CV 1
ASSI { 207}
(( resid 7 and name HA ))
(( resid 6 and name HB2 ))
3.600 1.600 1.600 peak 207 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.950 ppm2 3.236 CV 1
ASSI { 209}
(( resid 7 and name HB3 ))
(( resid 6 and name HB2 ))
4.600 2.600 1.400 peak 209 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.039 ppm2 3.236 CV 1
ASSI { 211}
(( resid 13 and name HN ))
(( resid 6 and name HB2 ))
3.600 1.600 1.600 peak 211 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 3.236 CV 1
ASSI { 213}
(( resid and name ))
(( resid 6 and name HB2 ))
4.900 3.000 1.100 peak 213 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 3.236 CV 1
ASSI { 215}
(( resid 103 and name HB3 ))
(( resid 6 and name HB2 ))
3.900 1.900 1.900 peak 215 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 3.236 CV 1
ASSI { 216}
(( resid 104 and name HN ))
(( resid 6 and name HB2 ))
3.600 3.600 2.400 peak 216 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 3.236 CV 1
ASSI { 217}
(( resid 104 and name HA ))
(( resid 6 and name HB2 ))
4.200 2.200 1.800 peak 217 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 3.236 CV 1
ASSI { 219}
(( resid 105 and name HA ))
(( resid 6 and name HB2 ))
4.700 2.800 1.300 peak 219 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 3.236 CV 1
ASSI { 221}
(( resid 106 and name HN ))
(( resid 6 and name HB2 ))
4.300 2.400 1.700 peak 221 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.431 ppm2 3.236 CV 1
ASSI { 231}
(( resid 8 and name HN ))
(( resid 7 and name HN ))
2.900 2.900 3.100 peak 231 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.699 ppm2 9.796 CV 1
ASSI { 235}
(( resid 104 and name HA ))
(( resid 7 and name HN ))
2.900 2.900 3.100 peak 235 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 9.796 CV 1
ASSI { 238}
(( resid 105 and name HB2 ))
(( resid 7 and name HN ))
4.700 2.700 1.300 peak 238 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 9.796 CV 1
ASSI { 241}
(( resid 106 and name HA ))
(( resid 7 and name HN ))
2.900 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.178 ppm2 9.796 CV 1
ASSI { 242}
(( resid 106 and name HB3 ))
(( resid 7 and name HN ))
4.300 2.300 1.700 peak 242 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.740 ppm2 9.796 CV 1
ASSI { 250}
(( resid 8 and name HA ))
(( resid 7 and name HA ))
3.600 1.600 1.600 peak 250 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.436 ppm2 5.950 CV 1
ASSI { 268}
(( resid 8 and name HN ))
(( resid 7 and name HB2 ))
3.700 1.700 1.700 peak 268 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.699 ppm2 1.980 CV 1
ASSI { 270}
(( resid and name ))
(( resid 7 and name HB2 ))
4.300 2.300 1.700 peak 270 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.980 CV 1
ASSI { 271}
(( resid 12 and name HN ))
(( resid 7 and name HB2 ))
3.800 1.800 1.800 peak 271 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.721 ppm2 1.980 CV 1
ASSI { 273}
(( resid 13 and name HN ))
(( resid 7 and name HB2 ))
3.200 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 1.980 CV 1
ASSI { 275}
(( resid 104 and name HN ))
(( resid 7 and name HB2 ))
3.700 1.700 1.700 peak 275 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 1.980 CV 1
ASSI { 281}
(( resid 8 and name HN ))
(( resid 7 and name HB3 ))
3.900 1.900 1.900 peak 281 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.699 ppm2 2.039 CV 1
ASSI { 282}
(( resid 8 and name HA ))
(( resid 7 and name HB3 ))
3.900 1.900 1.900 peak 282 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.436 ppm2 2.039 CV 1
ASSI { 285}
(( resid and name ))
(( resid 7 and name HB3 ))
4.300 2.300 1.700 peak 285 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 2.039 CV 1
ASSI { 286}
(( resid 12 and name HN ))
(( resid 7 and name HB3 ))
3.800 1.800 1.800 peak 286 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.721 ppm2 2.039 CV 1
ASSI { 287}
(( resid 12 and name HA ))
(( resid 7 and name HB3 ))
3.400 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.378 ppm2 2.039 CV 1
ASSI { 288}
(( resid 13 and name HN ))
(( resid 7 and name HB3 ))
3.200 1.300 1.300 peak 288 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 2.039 CV 1
ASSI { 290}
(( resid 104 and name HN ))
(( resid 7 and name HB3 ))
3.700 1.700 1.700 peak 290 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 2.039 CV 1
ASSI { 326}
(( resid 12 and name HN ))
(( resid 11 and name HN ))
3.100 3.100 2.900 peak 326 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.721 ppm2 8.491 CV 1
ASSI { 336}
(( resid 27 and name HB2 ))
(( resid 11 and name HA ))
3.300 1.300 1.300 peak 336 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.868 ppm2 5.160 CV 1
ASSI { 337}
(( resid 27 and name HB3 ))
(( resid 11 and name HA ))
4.100 2.100 1.900 peak 337 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.998 ppm2 5.160 CV 1
ASSI { 369}
(( resid 13 and name HG ))
(( resid 12 and name HN ))
3.700 1.700 1.700 peak 369 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.219 ppm2 8.721 CV 1
ASSI { 371}
(( resid 27 and name HB2 ))
(( resid 12 and name HN ))
2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.868 ppm2 8.721 CV 1
ASSI { 385}
(( resid 13 and name HA ))
(( resid 12 and name HA ))
3.500 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.464 ppm2 4.378 CV 1
ASSI { 387}
(( resid 13 and name HG ))
(( resid 12 and name HA ))
3.200 3.200 2.800 peak 387 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.219 ppm2 4.378 CV 1
ASSI { 403}
(( resid 14 and name HN ))
(( resid 13 and name HN ))
2.900 2.900 3.100 peak 403 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.065 ppm2 9.542 CV 1
ASSI { 404}
(( resid 14 and name HA ))
(( resid 13 and name HN ))
2.200 2.200 3.800 peak 404 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 9.542 CV 1
ASSI { 416}
(( resid 14 and name HA ))
(( resid 13 and name HA ))
3.500 1.500 1.500 peak 416 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 5.464 CV 1
ASSI { 420}
(( resid 25 and name HN ))
(( resid 13 and name HA ))
3.300 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 5.464 CV 1
ASSI { 422}
(( resid 25 and name HB3 ))
(( resid 13 and name HA ))
4.000 2.000 2.000 peak 422 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 5.464 CV 1
ASSI { 423}
(( resid 25 and name HB2 ))
(( resid 13 and name HA ))
5.900 4.300 0.100 peak 423 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 5.464 CV 1
ASSI { 457}
(( resid 24 and name HG1% ))
(( resid 13 and name HG ))
5.300 3.500 0.700 peak 457 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.019 ppm2 1.219 CV 1
ASSI { 459}
(( resid 25 and name HB2 ))
(( resid 13 and name HG ))
6.000 5.000 0.000 peak 459 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 1.219 CV 1
ASSI { 460}
(( resid 26 and name HN ))
(( resid 13 and name HG ))
3.900 1.900 1.900 peak 460 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 1.219 CV 1
ASSI { 462}
(( resid and name ))
(( resid 13 and name HG ))
4.500 2.600 1.500 peak 462 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.219 CV 1
ASSI { 507}
(( resid 15 and name HD1% ))
(( resid 14 and name HN ))
4.400 2.400 1.600 peak 507 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.898 ppm2 9.065 CV 1
ASSI { 512}
(( resid 25 and name HB2 ))
(( resid 14 and name HN ))
4.700 2.700 1.300 peak 512 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 9.065 CV 1
ASSI { 513}
(( resid 26 and name HN ))
(( resid 14 and name HN ))
2.000 2.000 4.000 peak 513 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 9.065 CV 1
ASSI { 532}
(( resid 25 and name HB3 ))
(( resid 14 and name HA ))
3.900 1.900 1.900 peak 532 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 5.522 CV 1
ASSI { 533}
(( resid 25 and name HB2 ))
(( resid 14 and name HA ))
4.700 2.800 1.300 peak 533 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 5.522 CV 1
ASSI { 542}
(( resid 15 and name HN ))
(( resid 14 and name HB ))
3.800 1.800 1.800 peak 542 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.467 ppm2 4.087 CV 1
ASSI { 543}
(( resid 15 and name HA ))
(( resid 14 and name HB ))
3.400 3.400 2.600 peak 543 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.014 ppm2 4.087 CV 1
ASSI { 544}
(( resid 25 and name HN ))
(( resid 14 and name HB ))
3.600 1.600 1.600 peak 544 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 4.087 CV 1
ASSI { 546}
(( resid 25 and name HB3 ))
(( resid 14 and name HB ))
3.600 1.600 1.600 peak 546 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 4.087 CV 1
ASSI { 547}
(( resid 25 and name HB2 ))
(( resid 14 and name HB ))
4.400 2.500 1.600 peak 547 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 4.087 CV 1
ASSI { 556}
(( resid 15 and name HN ))
(( resid 14 and name HG2% ))
4.000 2.000 2.000 peak 556 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.467 ppm2 1.278 CV 1
ASSI { 560}
(( resid 16 and name HA ))
(( resid 14 and name HG2% ))
3.200 3.200 2.800 peak 560 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 1.278 CV 1
ASSI { 562}
(( resid 25 and name HB3 ))
(( resid 14 and name HG2% ))
5.600 3.900 0.400 peak 562 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 1.278 CV 1
ASSI { 563}
(( resid 25 and name HB2 ))
(( resid 14 and name HG2% ))
5.700 4.000 0.300 peak 563 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 1.278 CV 1
ASSI { 574}
(( resid 16 and name HN ))
(( resid 15 and name HN ))
3.100 3.100 2.900 peak 574 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.758 ppm2 9.467 CV 1
ASSI { 575}
(( resid 23 and name HG2% ))
(( resid 15 and name HN ))
4.300 2.300 1.700 peak 575 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.121 ppm2 9.467 CV 1
ASSI { 579}
(( resid 25 and name HB3 ))
(( resid 15 and name HN ))
3.900 1.900 1.900 peak 579 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 9.467 CV 1
ASSI { 590}
(( resid 16 and name HA ))
(( resid 15 and name HA ))
3.600 1.700 1.700 peak 590 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 5.014 CV 1
ASSI { 592}
(( resid 17 and name HN ))
(( resid 15 and name HA ))
3.800 3.800 2.200 peak 592 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 5.014 CV 1
ASSI { 599}
(( resid 25 and name HB3 ))
(( resid 15 and name HA ))
3.600 1.600 1.600 peak 599 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 5.014 CV 1
ASSI { 600}
(( resid 25 and name HB2 ))
(( resid 15 and name HA ))
3.500 1.500 1.500 peak 600 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 5.014 CV 1
ASSI { 616}
(( resid 16 and name HA ))
(( resid 15 and name HB ))
3.900 1.900 1.900 peak 616 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 1.923 CV 1
ASSI { 617}
(( resid 17 and name HN ))
(( resid 15 and name HB ))
3.900 1.900 1.900 peak 617 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 1.923 CV 1
ASSI { 620}
(( resid 25 and name HN ))
(( resid 15 and name HB ))
2.600 2.600 3.400 peak 620 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 1.923 CV 1
ASSI { 627}
(( resid 16 and name HN ))
(( resid 15 and name HG2% ))
3.200 1.300 1.300 peak 627 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.758 ppm2 1.330 CV 1
ASSI { 630}
(( resid 22 and name HB3 ))
(( resid 15 and name HG2% ))
4.400 2.400 1.600 peak 630 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 1.330 CV 1
ASSI { 631}
(( resid 22 and name HB2 ))
(( resid 15 and name HG2% ))
6.000 5.400 0.000 peak 631 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.123 ppm2 1.330 CV 1
ASSI { 632}
(( resid 23 and name HN ))
(( resid 15 and name HG2% ))
3.300 1.400 1.400 peak 632 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 1.330 CV 1
ASSI { 634}
(( resid 24 and name HG2% ))
(( resid 15 and name HG2% ))
5.200 3.400 0.800 peak 634 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 1.330 CV 1
ASSI { 635}
(( resid 37 and name HZ ))
(( resid 15 and name HG2% ))
3.100 3.100 2.900 peak 635 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 1.330 CV 1
ASSI { 642}
(( resid 24 and name HA ))
(( resid 15 and name HD1% ))
4.800 2.900 1.200 peak 642 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 0.898 CV 1
ASSI { 643}
(( resid 24 and name HG1% ))
(( resid 15 and name HD1% ))
5.600 3.900 0.400 peak 643 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.019 ppm2 0.898 CV 1
ASSI { 644}
(( resid 24 and name HG2% ))
(( resid 15 and name HD1% ))
5.400 3.700 0.600 peak 644 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 0.898 CV 1
ASSI { 645}
(( resid 25 and name HN ))
(( resid 15 and name HD1% ))
4.700 2.700 1.300 peak 645 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 0.898 CV 1
ASSI { 657}
(( resid 17 and name HN ))
(( resid 16 and name HN ))
3.100 1.200 1.200 peak 657 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 8.758 CV 1
ASSI { 661}
(( resid 23 and name HN ))
(( resid 16 and name HN ))
2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 8.758 CV 1
ASSI { 663}
(( resid 23 and name HG2% ))
(( resid 16 and name HN ))
3.600 1.600 1.600 peak 663 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.121 ppm2 8.758 CV 1
ASSI { 678}
(( resid 17 and name HA ))
(( resid 16 and name HA ))
3.900 1.900 1.900 peak 678 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.230 ppm2 4.730 CV 1
ASSI { 687}
(( resid 17 and name HA ))
(( resid 16 and name HB ))
3.400 1.400 1.400 peak 687 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.230 ppm2 3.997 CV 1
ASSI { 709}
(( resid 18 and name HN ))
(( resid 17 and name HN ))
3.000 3.000 3.000 peak 709 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.871 ppm2 9.073 CV 1
ASSI { 712}
(( resid 23 and name HN ))
(( resid 17 and name HN ))
2.100 2.100 3.900 peak 712 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 9.073 CV 1
ASSI { 720}
(( resid 18 and name HA ))
(( resid 17 and name HA ))
4.000 2.000 2.000 peak 720 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.226 ppm2 4.230 CV 1
ASSI { 721}
(( resid 19 and name HN ))
(( resid 17 and name HA ))
3.800 1.800 1.800 peak 721 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.017 ppm2 4.230 CV 1
ASSI { 723}
(( resid and name ))
(( resid 17 and name HA ))
4.500 2.500 1.500 peak 723 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.230 CV 1
ASSI { 725}
(( resid 22 and name HA ))
(( resid 17 and name HA ))
3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 4.230 CV 1
ASSI { 728}
(( resid 23 and name HB ))
(( resid 17 and name HA ))
2.700 2.700 3.300 peak 728 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.995 ppm2 4.230 CV 1
ASSI { 753}
(( resid 19 and name HA1 ))
(( resid 18 and name HN ))
3.600 1.600 1.600 peak 753 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.113 ppm2 8.871 CV 1
ASSI { 757}
(( resid and name ))
(( resid 18 and name HN ))
3.800 1.800 1.800 peak 757 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.871 CV 1
ASSI { 765}
(( resid 19 and name HA2 ))
(( resid 18 and name HA ))
4.300 2.300 1.700 peak 765 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.773 ppm2 4.226 CV 1
ASSI { 766}
(( resid 19 and name HA1 ))
(( resid 18 and name HA ))
4.400 2.400 1.600 peak 766 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.113 ppm2 4.226 CV 1
ASSI { 768}
(( resid 21 and name HN ))
(( resid 18 and name HA ))
2.400 2.400 3.600 peak 768 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 4.226 CV 1
ASSI { 772}
(( resid 19 and name HN ))
(( resid 18 and name HB3 ))
4.700 2.700 1.300 peak 772 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.017 ppm2 1.044 CV 1
ASSI { 782}
(( resid 20 and name HN ))
(( resid 19 and name HN ))
3.100 1.200 1.200 peak 782 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.857 ppm2 9.017 CV 1
ASSI { 784}
(( resid 21 and name HN ))
(( resid 19 and name HN ))
2.200 2.200 3.800 peak 784 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 9.017 CV 1
ASSI { 789}
(( resid 20 and name HN ))
(( resid 19 and name HA2 ))
3.100 1.200 1.200 peak 789 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.857 ppm2 3.773 CV 1
ASSI { 790}
(( resid 20 and name HA ))
(( resid 19 and name HA2 ))
3.800 1.800 1.800 peak 790 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.037 ppm2 3.773 CV 1
ASSI { 791}
(( resid 20 and name HB3 ))
(( resid 19 and name HA2 ))
4.000 2.000 2.000 peak 791 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.197 ppm2 3.773 CV 1
ASSI { 792}
(( resid 21 and name HN ))
(( resid 19 and name HA2 ))
2.400 2.400 3.600 peak 792 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 3.773 CV 1
ASSI { 799}
(( resid 20 and name HN ))
(( resid 19 and name HA1 ))
3.900 1.900 1.900 peak 799 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.857 ppm2 4.113 CV 1
ASSI { 800}
(( resid 21 and name HN ))
(( resid 19 and name HA1 ))
2.400 2.400 3.600 peak 800 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 4.113 CV 1
ASSI { 812}
(( resid 21 and name HN ))
(( resid 20 and name HN ))
2.900 1.100 1.100 peak 812 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 8.857 CV 1
ASSI { 821}
(( resid 21 and name HA ))
(( resid 20 and name HA ))
3.700 1.700 1.700 peak 821 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.930 ppm2 5.037 CV 1
ASSI { 822}
(( resid 22 and name HN ))
(( resid 20 and name HA ))
3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.098 ppm2 5.037 CV 1
ASSI { 823}
(( resid 39 and name HD1% ))
(( resid 20 and name HA ))
3.400 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.749 ppm2 5.037 CV 1
ASSI { 829}
(( resid 21 and name HN ))
(( resid 20 and name HB3 ))
4.100 2.100 1.900 peak 829 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 3.197 CV 1
ASSI { 830}
(( resid 21 and name HA ))
(( resid 20 and name HB3 ))
3.800 1.800 1.800 peak 830 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.930 ppm2 3.197 CV 1
ASSI { 832}
(( resid 38 and name HA ))
(( resid 20 and name HB3 ))
3.700 1.700 1.700 peak 832 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 3.197 CV 1
ASSI { 838}
(( resid 21 and name HN ))
(( resid 20 and name HB2 ))
4.000 2.000 2.000 peak 838 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 2.995 CV 1
ASSI { 839}
(( resid 21 and name HA ))
(( resid 20 and name HB2 ))
3.600 1.600 1.600 peak 839 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.930 ppm2 2.995 CV 1
ASSI { 841}
(( resid 38 and name HA ))
(( resid 20 and name HB2 ))
3.500 3.500 2.500 peak 841 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 2.995 CV 1
ASSI { 844}
(( resid 39 and name HD1% ))
(( resid 20 and name HB2 ))
3.700 1.700 1.700 peak 844 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.749 ppm2 2.995 CV 1
ASSI { 859}
(( resid 22 and name HN ))
(( resid 21 and name HN ))
2.900 1.100 1.100 peak 859 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.098 ppm2 7.941 CV 1
ASSI { 872}
(( resid 22 and name HB3 ))
(( resid 21 and name HA ))
5.700 4.000 0.300 peak 872 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 4.930 CV 1
ASSI { 875}
(( resid 38 and name HN ))
(( resid 21 and name HA ))
3.300 3.300 2.700 peak 875 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.417 ppm2 4.930 CV 1
ASSI { 877}
(( resid 38 and name HB2 ))
(( resid 21 and name HA ))
3.900 1.900 1.900 peak 877 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.024 ppm2 4.930 CV 1
ASSI { 900}
(( resid 23 and name HN ))
(( resid 22 and name HN ))
3.000 3.000 3.000 peak 900 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 9.098 CV 1
ASSI { 901}
(( resid 23 and name HA ))
(( resid 22 and name HN ))
3.000 3.000 3.000 peak 901 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.806 ppm2 9.098 CV 1
ASSI { 904}
(( resid 37 and name HZ ))
(( resid 22 and name HN ))
2.200 2.200 3.800 peak 904 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 9.098 CV 1
ASSI { 907}
(( resid 39 and name HA ))
(( resid 22 and name HN ))
2.300 2.300 3.700 peak 907 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.593 ppm2 9.098 CV 1
ASSI { 908}
(( resid 39 and name HD1% ))
(( resid 22 and name HN ))
3.200 3.200 2.800 peak 908 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.749 ppm2 9.098 CV 1
ASSI { 923}
(( resid 23 and name HA ))
(( resid 22 and name HA ))
3.700 1.700 1.700 peak 923 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.806 ppm2 4.794 CV 1
ASSI { 924}
(( resid 23 and name HB ))
(( resid 22 and name HA ))
4.200 2.200 1.800 peak 924 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.995 ppm2 4.794 CV 1
ASSI { 932}
(( resid 23 and name HN ))
(( resid 22 and name HB3 ))
3.800 1.800 1.800 peak 932 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 1.600 CV 1
ASSI { 933}
(( resid 23 and name HA ))
(( resid 22 and name HB3 ))
4.000 2.000 2.000 peak 933 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.806 ppm2 1.600 CV 1
ASSI { 935}
(( resid 37 and name HN ))
(( resid 22 and name HB3 ))
4.000 2.000 2.000 peak 935 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 1.600 CV 1
ASSI { 936}
(( resid 37 and name HE% ))
(( resid 22 and name HB3 ))
3.700 1.700 1.700 peak 936 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 1.600 CV 1
ASSI { 937}
(( resid 37 and name HZ ))
(( resid 22 and name HB3 ))
3.900 1.900 1.900 peak 937 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 1.600 CV 1
ASSI { 938}
(( resid 39 and name HN ))
(( resid 22 and name HB3 ))
2.700 2.700 3.300 peak 938 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 1.600 CV 1
ASSI { 939}
(( resid 39 and name HD1% ))
(( resid 22 and name HB3 ))
4.400 2.400 1.600 peak 939 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.749 ppm2 1.600 CV 1
ASSI { 953}
(( resid 23 and name HN ))
(( resid 22 and name HB2 ))
4.900 3.000 1.100 peak 953 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 1.123 CV 1
ASSI { 954}
(( resid 23 and name HA ))
(( resid 22 and name HB2 ))
4.400 2.400 1.600 peak 954 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.806 ppm2 1.123 CV 1
ASSI { 955}
(( resid 24 and name HN ))
(( resid 22 and name HB2 ))
4.700 2.800 1.300 peak 955 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.432 ppm2 1.123 CV 1
ASSI { 958}
(( resid 24 and name HG2% ))
(( resid 22 and name HB2 ))
6.000 6.000 0.000 peak 958 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 1.123 CV 1
ASSI { 959}
(( resid 37 and name HE% ))
(( resid 22 and name HB2 ))
3.200 1.300 1.300 peak 959 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 1.123 CV 1
ASSI { 960}
(( resid 37 and name HZ ))
(( resid 22 and name HB2 ))
4.600 2.600 1.400 peak 960 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 1.123 CV 1
ASSI { 961}
(( resid 39 and name HD1% ))
(( resid 22 and name HB2 ))
6.000 4.700 0.000 peak 961 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.749 ppm2 1.123 CV 1
ASSI { 976}
(( resid 24 and name HN ))
(( resid 23 and name HN ))
3.000 3.000 3.000 peak 976 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.432 ppm2 8.311 CV 1
ASSI { 977}
(( resid 24 and name HA ))
(( resid 23 and name HN ))
3.000 3.000 3.000 peak 977 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 8.311 CV 1
ASSI { 978}
(( resid 24 and name HG2% ))
(( resid 23 and name HN ))
3.900 1.900 1.900 peak 978 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 8.311 CV 1
ASSI { 981}
(( resid 37 and name HZ ))
(( resid 23 and name HN ))
2.300 2.300 3.700 peak 981 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 8.311 CV 1
ASSI { 994}
(( resid 34 and name HB2 ))
(( resid 23 and name HA ))
4.400 2.400 1.600 peak 994 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.627 ppm2 4.806 CV 1
ASSI { 1001}
(( resid 37 and name HD% ))
(( resid 23 and name HA ))
3.100 1.200 1.200 peak 1001 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 4.806 CV 1
ASSI { 1002}
(( resid 37 and name HE% ))
(( resid 23 and name HA ))
3.100 1.200 1.200 peak 1002 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 4.806 CV 1
ASSI { 1003}
(( resid 37 and name HZ ))
(( resid 23 and name HA ))
3.300 1.400 1.400 peak 1003 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 4.806 CV 1
ASSI { 1012}
(( resid 34 and name HB2 ))
(( resid 23 and name HB ))
4.400 2.400 1.600 peak 1012 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.627 ppm2 3.995 CV 1
ASSI { 1015}
(( resid 36 and name HG1% ))
(( resid 23 and name HB ))
5.900 4.300 0.100 peak 1015 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 3.995 CV 1
ASSI { 1016}
(( resid 37 and name HN ))
(( resid 23 and name HB ))
3.500 1.500 1.500 peak 1016 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 3.995 CV 1
ASSI { 1024}
(( resid 24 and name HN ))
(( resid 23 and name HG2% ))
3.900 1.900 1.900 peak 1024 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.432 ppm2 1.121 CV 1
ASSI { 1025}
(( resid 24 and name HA ))
(( resid 23 and name HG2% ))
4.000 2.000 2.000 peak 1025 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 1.121 CV 1
ASSI { 1026}
(( resid 25 and name HN ))
(( resid 23 and name HG2% ))
3.800 1.800 1.800 peak 1026 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 1.121 CV 1
ASSI { 1027}
(( resid 25 and name HA ))
(( resid 23 and name HG2% ))
4.300 2.300 1.700 peak 1027 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.342 ppm2 1.121 CV 1
ASSI { 1028}
(( resid 25 and name HB3 ))
(( resid 23 and name HG2% ))
5.100 3.300 0.900 peak 1028 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 1.121 CV 1
ASSI { 1030}
(( resid 34 and name HB2 ))
(( resid 23 and name HG2% ))
5.400 3.600 0.600 peak 1030 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.627 ppm2 1.121 CV 1
ASSI { 1031}
(( resid 34 and name HB3 ))
(( resid 23 and name HG2% ))
4.700 2.700 1.300 peak 1031 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.560 ppm2 1.121 CV 1
ASSI { 1033}
(( resid 36 and name HG1% ))
(( resid 23 and name HG2% ))
4.200 2.200 1.800 peak 1033 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 1.121 CV 1
ASSI { 1044}
(( resid 25 and name HN ))
(( resid 24 and name HN ))
2.900 2.900 3.100 peak 1044 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 9.432 CV 1
ASSI { 1045}
(( resid 26 and name HN ))
(( resid 24 and name HN ))
3.100 3.100 2.900 peak 1045 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 9.432 CV 1
ASSI { 1047}
(( resid 34 and name HB2 ))
(( resid 24 and name HN ))
4.100 2.100 1.900 peak 1047 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.627 ppm2 9.432 CV 1
ASSI { 1055}
(( resid 37 and name HD% ))
(( resid 24 and name HN ))
2.900 2.900 3.100 peak 1055 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 9.432 CV 1
ASSI { 1056}
(( resid 37 and name HE% ))
(( resid 24 and name HN ))
2.600 0.900 0.900 peak 1056 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 9.432 CV 1
ASSI { 1057}
(( resid 37 and name HZ ))
(( resid 24 and name HN ))
3.300 1.300 1.300 peak 1057 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 9.432 CV 1
ASSI { 1076}
(( resid 25 and name HA ))
(( resid 24 and name HA ))
3.500 1.600 1.600 peak 1076 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.342 ppm2 5.034 CV 1
ASSI { 1077}
(( resid 25 and name HB3 ))
(( resid 24 and name HA ))
4.600 2.600 1.400 peak 1077 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 5.034 CV 1
ASSI { 1078}
(( resid 25 and name HB2 ))
(( resid 24 and name HA ))
4.500 2.500 1.500 peak 1078 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 5.034 CV 1
ASSI { 1079}
(( resid 26 and name HN ))
(( resid 24 and name HA ))
3.500 3.500 2.500 peak 1079 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 5.034 CV 1
ASSI { 1080}
(( resid 37 and name HE% ))
(( resid 24 and name HA ))
2.400 2.400 3.600 peak 1080 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 5.034 CV 1
ASSI { 1081}
(( resid 37 and name HZ ))
(( resid 24 and name HA ))
2.500 2.500 3.500 peak 1081 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 5.034 CV 1
ASSI { 1091}
(( resid and name ))
(( resid 24 and name HB ))
4.300 2.300 1.700 peak 1091 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 2.373 CV 1
ASSI { 1094}
(( resid 36 and name HA ))
(( resid 24 and name HB ))
4.700 2.700 1.300 peak 1094 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 2.373 CV 1
ASSI { 1095}
(( resid 37 and name HD% ))
(( resid 24 and name HB ))
4.100 2.100 1.900 peak 1095 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 2.373 CV 1
ASSI { 1097}
(( resid 37 and name HZ ))
(( resid 24 and name HB ))
4.500 2.600 1.500 peak 1097 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 2.373 CV 1
ASSI { 1107}
(( resid 25 and name HN ))
(( resid 24 and name HG1% ))
3.700 1.700 1.700 peak 1107 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 1.019 CV 1
ASSI { 1108}
(( resid 25 and name HA ))
(( resid 24 and name HG1% ))
4.200 2.200 1.800 peak 1108 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.342 ppm2 1.019 CV 1
ASSI { 1109}
(( resid 26 and name HN ))
(( resid 24 and name HG1% ))
4.000 2.000 2.000 peak 1109 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 1.019 CV 1
ASSI { 1110}
(( resid 26 and name HA ))
(( resid 24 and name HG1% ))
4.300 2.300 1.700 peak 1110 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 1.019 CV 1
ASSI { 1111}
(( resid and name ))
(( resid 24 and name HG1% ))
4.900 3.000 1.100 peak 1111 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.019 CV 1
ASSI { 1126}
(( resid 37 and name HZ ))
(( resid 24 and name HG2% ))
4.000 2.000 2.000 peak 1126 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 0.901 CV 1
ASSI { 1147}
(( resid 26 and name HN ))
(( resid 25 and name HN ))
3.100 1.200 1.200 peak 1147 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 9.163 CV 1
ASSI { 1148}
(( resid 26 and name HA ))
(( resid 25 and name HN ))
3.000 3.000 3.000 peak 1148 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 9.163 CV 1
ASSI { 1149}
(( resid and name ))
(( resid 25 and name HN ))
3.600 3.600 2.400 peak 1149 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.163 CV 1
ASSI { 1162}
(( resid 26 and name HN ))
(( resid 25 and name HA ))
2.500 0.800 0.800 peak 1162 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 5.342 CV 1
ASSI { 1165}
(( resid 34 and name HB2 ))
(( resid 25 and name HA ))
4.700 2.700 1.300 peak 1165 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.627 ppm2 5.342 CV 1
ASSI { 1166}
(( resid 34 and name HB3 ))
(( resid 25 and name HA ))
3.700 1.700 1.700 peak 1166 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.560 ppm2 5.342 CV 1
ASSI { 1167}
(( resid 35 and name HN ))
(( resid 25 and name HA ))
3.200 1.300 1.300 peak 1167 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 5.342 CV 1
ASSI { 1181}
(( resid 26 and name HN ))
(( resid 25 and name HB3 ))
4.000 2.000 2.000 peak 1181 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 2.074 CV 1
ASSI { 1199}
(( resid 26 and name HN ))
(( resid 25 and name HB2 ))
4.400 2.400 1.600 peak 1199 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 2.135 CV 1
ASSI { 1200}
(( resid 26 and name HA ))
(( resid 25 and name HB2 ))
4.500 2.500 1.500 peak 1200 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 2.135 CV 1
ASSI { 1216}
(( resid 27 and name HN ))
(( resid 26 and name HN ))
3.000 3.000 3.000 peak 1216 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.182 ppm2 9.322 CV 1
ASSI { 1218}
(( resid 35 and name HN ))
(( resid 26 and name HN ))
3.100 3.100 2.900 peak 1218 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 9.322 CV 1
ASSI { 1258}
(( resid 28 and name HN ))
(( resid 27 and name HN ))
3.200 1.300 1.300 peak 1258 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.675 ppm2 9.182 CV 1
ASSI { 1266}
(( resid 28 and name HA ))
(( resid 27 and name HA ))
3.700 1.700 1.700 peak 1266 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.078 ppm2 5.566 CV 1
ASSI { 1267}
(( resid 28 and name HB3 ))
(( resid 27 and name HA ))
4.000 2.000 2.000 peak 1267 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.157 ppm2 5.566 CV 1
ASSI { 1271}
(( resid 33 and name HG2% ))
(( resid 27 and name HA ))
3.700 1.700 1.700 peak 1271 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 5.566 CV 1
ASSI { 1282}
(( resid 28 and name HA ))
(( resid 27 and name HB2 ))
3.500 1.500 1.500 peak 1282 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.078 ppm2 3.868 CV 1
ASSI { 1290}
(( resid 28 and name HN ))
(( resid 27 and name HB3 ))
2.800 1.000 1.000 peak 1290 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.675 ppm2 3.998 CV 1
ASSI { 1291}
(( resid 28 and name HA ))
(( resid 27 and name HB3 ))
3.600 1.600 1.600 peak 1291 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.078 ppm2 3.998 CV 1
ASSI { 1292}
(( resid 32 and name HA ))
(( resid 27 and name HB3 ))
3.500 1.600 1.600 peak 1292 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 3.998 CV 1
ASSI { 1294}
(( resid 33 and name HN ))
(( resid 27 and name HB3 ))
2.400 2.400 3.600 peak 1294 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.802 ppm2 3.998 CV 1
ASSI { 1303}
(( resid 29 and name HN ))
(( resid 28 and name HN ))
3.100 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.146 ppm2 8.675 CV 1
ASSI { 1305}
(( resid 31 and name HN ))
(( resid 28 and name HN ))
2.600 0.900 0.900 peak 1305 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 8.675 CV 1
ASSI { 1307}
(( resid 33 and name HN ))
(( resid 28 and name HN ))
2.200 2.200 3.800 peak 1307 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.802 ppm2 8.675 CV 1
ASSI { 1309}
(( resid 33 and name HG2% ))
(( resid 28 and name HN ))
2.900 2.900 3.100 peak 1309 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 8.675 CV 1
ASSI { 1319}
(( resid 29 and name HA ))
(( resid 28 and name HA ))
4.100 2.100 1.900 peak 1319 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.376 ppm2 5.078 CV 1
ASSI { 1321}
(( resid 31 and name HN ))
(( resid 28 and name HA ))
3.300 1.400 1.400 peak 1321 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 5.078 CV 1
ASSI { 1327}
(( resid 29 and name HN ))
(( resid 28 and name HB3 ))
3.100 1.200 1.200 peak 1327 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.146 ppm2 4.157 CV 1
ASSI { 1328}
(( resid 29 and name HB3 ))
(( resid 28 and name HB3 ))
4.100 2.100 1.900 peak 1328 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.685 ppm2 4.157 CV 1
ASSI { 1329}
(( resid 33 and name HG2% ))
(( resid 28 and name HB3 ))
3.100 3.100 2.900 peak 1329 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 4.157 CV 1
ASSI { 1334}
(( resid 29 and name HN ))
(( resid 28 and name HB2 ))
3.900 1.900 1.900 peak 1334 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.146 ppm2 4.112 CV 1
ASSI { 1335}
(( resid 29 and name HA ))
(( resid 28 and name HB2 ))
4.400 2.500 1.600 peak 1335 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.376 ppm2 4.112 CV 1
ASSI { 1336}
(( resid 29 and name HB3 ))
(( resid 28 and name HB2 ))
4.500 2.500 1.500 peak 1336 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.685 ppm2 4.112 CV 1
ASSI { 1345}
(( resid 31 and name HN ))
(( resid 29 and name HN ))
3.000 3.000 3.000 peak 1345 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 8.146 CV 1
ASSI { 1352}
(( resid 30 and name HA ))
(( resid 29 and name HA ))
3.600 1.600 1.600 peak 1352 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.617 ppm2 4.376 CV 1
ASSI { 1353}
(( resid 30 and name HB3 ))
(( resid 29 and name HA ))
3.900 1.900 1.900 peak 1353 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.360 ppm2 4.376 CV 1
ASSI { 1359}
(( resid 30 and name HN ))
(( resid 29 and name HB3 ))
3.500 1.600 1.600 peak 1359 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.154 ppm2 2.685 CV 1
ASSI { 1383}
(( resid 31 and name HA ))
(( resid 30 and name HA ))
3.400 1.400 1.400 peak 1383 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.641 ppm2 4.617 CV 1
ASSI { 1390}
(( resid 31 and name HN ))
(( resid 30 and name HB3 ))
3.200 1.300 1.300 peak 1390 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 3.360 CV 1
ASSI { 1396}
(( resid 31 and name HN ))
(( resid 30 and name HB2 ))
3.600 1.700 1.700 peak 1396 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 3.104 CV 1
ASSI { 1403}
(( resid 31 and name HN ))
(( resid 30 and name HD% ))
3.000 1.100 1.100 peak 1403 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 7.285 CV 1
ASSI { 1404}
(( resid 31 and name HA ))
(( resid 30 and name HD% ))
3.100 3.100 2.900 peak 1404 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.641 ppm2 7.285 CV 1
ASSI { 1419}
(( resid 32 and name HN ))
(( resid 31 and name HN ))
3.100 1.200 1.200 peak 1419 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.691 ppm2 7.625 CV 1
ASSI { 1420}
(( resid 32 and name HA ))
(( resid 31 and name HN ))
3.100 3.100 2.900 peak 1420 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 7.625 CV 1
ASSI { 1441}
(( resid 33 and name HN ))
(( resid 32 and name HN ))
3.100 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.802 ppm2 8.691 CV 1
ASSI { 1442}
(( resid 33 and name HA ))
(( resid 32 and name HN ))
3.000 3.000 3.000 peak 1442 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.636 ppm2 8.691 CV 1
ASSI { 1443}
(( resid 33 and name HB ))
(( resid 32 and name HN ))
3.300 3.300 2.700 peak 1443 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 8.691 CV 1
ASSI { 1455}
(( resid 33 and name HA ))
(( resid 32 and name HA ))
3.800 1.800 1.800 peak 1455 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.636 ppm2 5.619 CV 1
ASSI { 1457}
(( resid 33 and name HG2% ))
(( resid 32 and name HA ))
2.900 1.100 1.100 peak 1457 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 5.619 CV 1
ASSI { 1477}
(( resid 34 and name HN ))
(( resid 33 and name HN ))
3.100 1.200 1.200 peak 1477 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.626 ppm2 8.802 CV 1
ASSI { 1478}
(( resid 34 and name HA ))
(( resid 33 and name HN ))
2.900 2.900 3.100 peak 1478 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.428 ppm2 8.802 CV 1
ASSI { 1486}
(( resid 34 and name HN ))
(( resid 33 and name HA ))
3.000 1.200 1.200 peak 1486 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.626 ppm2 4.636 CV 1
ASSI { 1498}
(( resid 48 and name HN ))
(( resid 33 and name HB ))
2.700 2.700 3.300 peak 1498 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.398 ppm2 1.982 CV 1
ASSI { 1514}
(( resid 47 and name HA ))
(( resid 33 and name HD1% ))
4.500 2.600 1.500 peak 1514 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 0.948 CV 1
ASSI { 1515}
(( resid 48 and name HN ))
(( resid 33 and name HD1% ))
4.100 2.100 1.900 peak 1515 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.398 ppm2 0.948 CV 1
ASSI { 1516}
(( resid 48 and name HA ))
(( resid 33 and name HD1% ))
4.700 2.700 1.300 peak 1516 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.946 ppm2 0.948 CV 1
ASSI { 1517}
(( resid 48 and name HB% ))
(( resid 33 and name HD1% ))
4.000 2.000 2.000 peak 1517 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.462 ppm2 0.948 CV 1
ASSI { 1518}
(( resid 49 and name HN ))
(( resid 33 and name HD1% ))
3.100 3.100 2.900 peak 1518 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 0.948 CV 1
ASSI { 1529}
(( resid 35 and name HN ))
(( resid 34 and name HN ))
3.000 3.000 3.000 peak 1529 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 8.626 CV 1
ASSI { 1541}
(( resid 35 and name HA ))
(( resid 34 and name HA ))
3.600 1.600 1.600 peak 1541 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.605 ppm2 5.428 CV 1
ASSI { 1543}
(( resid 35 and name HG2% ))
(( resid 34 and name HA ))
4.200 2.200 1.800 peak 1543 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.970 ppm2 5.428 CV 1
ASSI { 1553}
(( resid 35 and name HN ))
(( resid 34 and name HB2 ))
3.700 1.700 1.700 peak 1553 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 2.627 CV 1
ASSI { 1554}
(( resid 35 and name HA ))
(( resid 34 and name HB2 ))
3.600 1.700 1.700 peak 1554 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.605 ppm2 2.627 CV 1
ASSI { 1555}
(( resid 36 and name HN ))
(( resid 34 and name HB2 ))
3.200 3.200 2.800 peak 1555 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.168 ppm2 2.627 CV 1
ASSI { 1556}
(( resid 36 and name HA ))
(( resid 34 and name HB2 ))
3.600 3.600 2.400 peak 1556 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 2.627 CV 1
ASSI { 1557}
(( resid 36 and name HB ))
(( resid 34 and name HB2 ))
3.800 1.800 1.800 peak 1557 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 2.627 CV 1
ASSI { 1558}
(( resid 36 and name HG1% ))
(( resid 34 and name HB2 ))
3.600 3.600 2.400 peak 1558 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 2.627 CV 1
ASSI { 1566}
(( resid 35 and name HN ))
(( resid 34 and name HB3 ))
3.300 1.300 1.300 peak 1566 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 2.560 CV 1
ASSI { 1585}
(( resid 36 and name HN ))
(( resid 35 and name HN ))
2.800 2.800 3.200 peak 1585 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.168 ppm2 9.146 CV 1
ASSI { 1587}
(( resid 36 and name HB ))
(( resid 35 and name HN ))
3.400 3.400 2.600 peak 1587 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 9.146 CV 1
ASSI { 1588}
(( resid 37 and name HE% ))
(( resid 35 and name HN ))
2.200 2.200 3.800 peak 1588 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 9.146 CV 1
ASSI { 1597}
(( resid 36 and name HA ))
(( resid 35 and name HA ))
3.700 1.700 1.700 peak 1597 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 4.605 CV 1
ASSI { 1599}
(( resid 37 and name HD% ))
(( resid 35 and name HA ))
3.300 1.400 1.400 peak 1599 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 4.605 CV 1
ASSI { 1610}
(( resid 37 and name HD% ))
(( resid 35 and name HB ))
3.500 1.500 1.500 peak 1610 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 2.361 CV 1
ASSI { 1611}
(( resid 37 and name HE% ))
(( resid 35 and name HB ))
3.000 1.100 1.100 peak 1611 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 2.361 CV 1
ASSI { 1617}
(( resid 37 and name HD% ))
(( resid 35 and name HG1% ))
3.500 1.500 1.500 peak 1617 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 1.199 CV 1
ASSI { 1635}
(( resid 37 and name HN ))
(( resid 36 and name HN ))
3.200 1.300 1.300 peak 1635 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 8.168 CV 1
ASSI { 1636}
(( resid 37 and name HD% ))
(( resid 36 and name HN ))
2.600 2.600 3.400 peak 1636 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 8.168 CV 1
ASSI { 1652}
(( resid 37 and name HB3 ))
(( resid 36 and name HA ))
3.700 1.700 1.700 peak 1652 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.676 ppm2 5.131 CV 1
ASSI { 1653}
(( resid 37 and name HD% ))
(( resid 36 and name HA ))
2.900 1.100 1.100 peak 1653 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 5.131 CV 1
ASSI { 1654}
(( resid 37 and name HE% ))
(( resid 36 and name HA ))
3.200 1.200 1.200 peak 1654 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 5.131 CV 1
ASSI { 1655}
(( resid 37 and name HZ ))
(( resid 36 and name HA ))
2.400 2.400 3.600 peak 1655 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 5.131 CV 1
ASSI { 1669}
(( resid 37 and name HD% ))
(( resid 36 and name HB ))
2.800 2.800 3.200 peak 1669 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 1.965 CV 1
ASSI { 1675}
(( resid 37 and name HN ))
(( resid 36 and name HG2% ))
3.900 1.900 1.900 peak 1675 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 0.905 CV 1
ASSI { 1676}
(( resid 37 and name HA ))
(( resid 36 and name HG2% ))
4.400 2.400 1.600 peak 1676 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.809 ppm2 0.905 CV 1
ASSI { 1677}
(( resid 37 and name HB3 ))
(( resid 36 and name HG2% ))
3.700 1.700 1.700 peak 1677 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.676 ppm2 0.905 CV 1
ASSI { 1678}
(( resid 37 and name HD% ))
(( resid 36 and name HG2% ))
3.200 1.300 1.300 peak 1678 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 0.905 CV 1
ASSI { 1693}
(( resid 37 and name HA ))
(( resid 36 and name HG1% ))
4.100 2.100 1.900 peak 1693 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.809 ppm2 1.007 CV 1
ASSI { 1711}
(( resid 38 and name HN ))
(( resid 37 and name HN ))
3.000 3.000 3.000 peak 1711 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.417 ppm2 8.317 CV 1
ASSI { 1712}
(( resid 38 and name HA ))
(( resid 37 and name HN ))
2.800 2.800 3.200 peak 1712 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 8.317 CV 1
ASSI { 1713}
(( resid 39 and name HN ))
(( resid 37 and name HN ))
2.100 2.100 3.900 peak 1713 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 8.317 CV 1
ASSI { 1725}
(( resid 39 and name HN ))
(( resid 37 and name HA ))
3.600 3.600 2.400 peak 1725 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 4.809 CV 1
ASSI { 1726}
(( resid 41 and name HG1% ))
(( resid 37 and name HA ))
4.500 2.600 1.500 peak 1726 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 4.809 CV 1
ASSI { 1727}
(( resid 43 and name HD% ))
(( resid 37 and name HA ))
3.000 1.100 1.100 peak 1727 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 4.809 CV 1
ASSI { 1734}
(( resid 38 and name HN ))
(( resid 37 and name HB2 ))
3.400 1.500 1.500 peak 1734 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.417 ppm2 1.588 CV 1
ASSI { 1735}
(( resid 38 and name HA ))
(( resid 37 and name HB2 ))
3.900 1.900 1.900 peak 1735 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 1.588 CV 1
ASSI { 1736}
(( resid 39 and name HN ))
(( resid 37 and name HB2 ))
3.700 1.700 1.700 peak 1736 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 1.588 CV 1
ASSI { 1737}
(( resid 39 and name HA ))
(( resid 37 and name HB2 ))
4.000 2.000 2.000 peak 1737 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.593 ppm2 1.588 CV 1
ASSI { 1738}
(( resid 40 and name HN ))
(( resid 37 and name HB2 ))
3.300 1.400 1.400 peak 1738 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.223 ppm2 1.588 CV 1
ASSI { 1739}
(( resid 41 and name HN ))
(( resid 37 and name HB2 ))
3.400 1.400 1.400 peak 1739 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 1.588 CV 1
ASSI { 1740}
(( resid 41 and name HB ))
(( resid 37 and name HB2 ))
4.600 2.700 1.400 peak 1740 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 1.588 CV 1
ASSI { 1741}
(( resid 41 and name HG1% ))
(( resid 37 and name HB2 ))
5.500 3.800 0.500 peak 1741 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 1.588 CV 1
ASSI { 1743}
(( resid 43 and name HD% ))
(( resid 37 and name HB2 ))
4.300 2.300 1.700 peak 1743 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 1.588 CV 1
ASSI { 1744}
(( resid 43 and name HE% ))
(( resid 37 and name HB2 ))
3.800 1.800 1.800 peak 1744 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 1.588 CV 1
ASSI { 1745}
(( resid 57 and name HN ))
(( resid 37 and name HB2 ))
3.400 1.400 1.400 peak 1745 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 1.588 CV 1
ASSI { 1746}
(( resid 57 and name HB2 ))
(( resid 37 and name HB2 ))
3.900 1.900 1.900 peak 1746 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 1.588 CV 1
ASSI { 1747}
(( resid 57 and name HB3 ))
(( resid 37 and name HB2 ))
4.800 2.900 1.200 peak 1747 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 1.588 CV 1
ASSI { 1756}
(( resid 38 and name HN ))
(( resid 37 and name HB3 ))
4.000 2.000 2.000 peak 1756 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.417 ppm2 2.676 CV 1
ASSI { 1757}
(( resid 39 and name HN ))
(( resid 37 and name HB3 ))
4.100 2.100 1.900 peak 1757 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 2.676 CV 1
ASSI { 1758}
(( resid 43 and name HD% ))
(( resid 37 and name HB3 ))
3.700 1.700 1.700 peak 1758 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 2.676 CV 1
ASSI { 1759}
(( resid 43 and name HE% ))
(( resid 37 and name HB3 ))
3.100 1.200 1.200 peak 1759 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 2.676 CV 1
ASSI { 1760}
(( resid 56 and name HA ))
(( resid 37 and name HB3 ))
3.900 1.900 1.900 peak 1760 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 2.676 CV 1
ASSI { 1761}
(( resid 57 and name HN ))
(( resid 37 and name HB3 ))
3.400 1.500 1.500 peak 1761 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 2.676 CV 1
ASSI { 1762}
(( resid 57 and name HB2 ))
(( resid 37 and name HB3 ))
4.100 2.100 1.900 peak 1762 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 2.676 CV 1
ASSI { 1780}
(( resid 43 and name HE% ))
(( resid 37 and name HD% ))
3.300 1.300 1.300 peak 1780 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 6.488 CV 1
ASSI { 1781}
(( resid 57 and name HB2 ))
(( resid 37 and name HD% ))
3.200 1.300 1.300 peak 1781 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 6.488 CV 1
ASSI { 1797}
(( resid 57 and name HB2 ))
(( resid 37 and name HE% ))
3.400 1.500 1.500 peak 1797 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 6.254 CV 1
ASSI { 1813}
(( resid 57 and name HB2 ))
(( resid 37 and name HZ ))
3.700 3.700 2.300 peak 1813 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 5.365 CV 1
ASSI { 1814}
(( resid 57 and name HB3 ))
(( resid 37 and name HZ ))
3.700 3.700 2.300 peak 1814 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 5.365 CV 1
ASSI { 1824}
(( resid 39 and name HN ))
(( resid 38 and name HN ))
3.000 1.100 1.100 peak 1824 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 9.417 CV 1
ASSI { 1825}
(( resid 39 and name HA ))
(( resid 38 and name HN ))
3.300 3.300 2.700 peak 1825 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.593 ppm2 9.417 CV 1
ASSI { 1831}
(( resid 43 and name HD% ))
(( resid 38 and name HN ))
2.700 2.700 3.300 peak 1831 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 9.417 CV 1
ASSI { 1847}
(( resid 39 and name HA ))
(( resid 38 and name HA ))
4.200 2.200 1.800 peak 1847 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.593 ppm2 5.359 CV 1
ASSI { 1848}
(( resid 41 and name HB ))
(( resid 38 and name HA ))
2.800 2.800 3.200 peak 1848 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 5.359 CV 1
ASSI { 1855}
(( resid 39 and name HN ))
(( resid 38 and name HB2 ))
4.200 2.200 1.800 peak 1855 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 2.024 CV 1
ASSI { 1856}
(( resid 41 and name HB ))
(( resid 38 and name HB2 ))
4.300 2.300 1.700 peak 1856 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 2.024 CV 1
ASSI { 1857}
(( resid 41 and name HG1% ))
(( resid 38 and name HB2 ))
5.200 3.400 0.800 peak 1857 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 2.024 CV 1
ASSI { 1863}
(( resid 39 and name HN ))
(( resid 38 and name HB3 ))
4.100 2.100 1.900 peak 1863 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 1.910 CV 1
ASSI { 1864}
(( resid 41 and name HA ))
(( resid 38 and name HB3 ))
4.600 2.600 1.400 peak 1864 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.398 ppm2 1.910 CV 1
ASSI { 1866}
(( resid 41 and name HG1% ))
(( resid 38 and name HB3 ))
5.400 3.700 0.600 peak 1866 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 1.910 CV 1
ASSI { 1882}
(( resid 40 and name HN ))
(( resid 39 and name HN ))
3.000 1.100 1.100 peak 1882 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.223 ppm2 8.826 CV 1
ASSI { 1883}
(( resid 41 and name HN ))
(( resid 39 and name HN ))
2.100 2.100 3.900 peak 1883 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 8.826 CV 1
ASSI { 1884}
(( resid 41 and name HB ))
(( resid 39 and name HN ))
2.600 2.600 3.400 peak 1884 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 8.826 CV 1
ASSI { 1896}
(( resid 40 and name HA1 ))
(( resid 39 and name HA ))
4.400 2.400 1.600 peak 1896 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.624 ppm2 4.593 CV 1
ASSI { 1897}
(( resid 40 and name HA2 ))
(( resid 39 and name HA ))
4.000 2.000 2.000 peak 1897 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.348 ppm2 4.593 CV 1
ASSI { 1900}
(( resid 57 and name HB2 ))
(( resid 39 and name HA ))
3.700 1.700 1.700 peak 1900 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 4.593 CV 1
ASSI { 1901}
(( resid 57 and name HB3 ))
(( resid 39 and name HA ))
3.900 1.900 1.900 peak 1901 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 4.593 CV 1
ASSI { 1904}
(( resid 59 and name HB2 ))
(( resid 39 and name HA ))
3.600 1.700 1.700 peak 1904 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.301 ppm2 4.593 CV 1
ASSI { 1905}
(( resid 59 and name HB3 ))
(( resid 39 and name HA ))
3.400 1.500 1.500 peak 1905 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 4.593 CV 1
ASSI { 1916}
(( resid 59 and name HN ))
(( resid 39 and name HD1% ))
4.100 2.200 1.900 peak 1916 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 0.749 CV 1
ASSI { 1917}
(( resid 59 and name HB2 ))
(( resid 39 and name HD1% ))
4.100 2.100 1.900 peak 1917 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.301 ppm2 0.749 CV 1
ASSI { 1918}
(( resid 59 and name HB3 ))
(( resid 39 and name HD1% ))
4.800 2.800 1.200 peak 1918 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 0.749 CV 1
ASSI { 1926}
(( resid 41 and name HN ))
(( resid 40 and name HN ))
2.700 0.900 0.900 peak 1926 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 9.223 CV 1
ASSI { 1932}
(( resid 57 and name HB3 ))
(( resid 40 and name HN ))
3.400 1.400 1.400 peak 1932 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 9.223 CV 1
ASSI { 1937}
(( resid 59 and name HN ))
(( resid 40 and name HN ))
2.800 2.800 3.200 peak 1937 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 9.223 CV 1
ASSI { 1942}
(( resid 41 and name HN ))
(( resid 40 and name HA1 ))
3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 3.624 CV 1
ASSI { 1943}
(( resid 41 and name HA ))
(( resid 40 and name HA1 ))
3.600 1.600 1.600 peak 1943 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.398 ppm2 3.624 CV 1
ASSI { 1944}
(( resid 41 and name HB ))
(( resid 40 and name HA1 ))
4.500 2.500 1.500 peak 1944 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 3.624 CV 1
ASSI { 1945}
(( resid 42 and name HN ))
(( resid 40 and name HA1 ))
3.700 3.700 2.300 peak 1945 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.761 ppm2 3.624 CV 1
ASSI { 1946}
(( resid 57 and name HN ))
(( resid 40 and name HA1 ))
3.000 1.100 1.100 peak 1946 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 3.624 CV 1
ASSI { 1948}
(( resid 58 and name HA ))
(( resid 40 and name HA1 ))
3.200 1.300 1.300 peak 1948 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 3.624 CV 1
ASSI { 1949}
(( resid 58 and name HB ))
(( resid 40 and name HA1 ))
4.500 2.500 1.500 peak 1949 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.282 ppm2 3.624 CV 1
ASSI { 1950}
(( resid 58 and name HG2% ))
(( resid 40 and name HA1 ))
4.200 2.200 1.800 peak 1950 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 3.624 CV 1
ASSI { 1955}
(( resid 41 and name HN ))
(( resid 40 and name HA2 ))
3.600 1.600 1.600 peak 1955 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 4.348 CV 1
ASSI { 1956}
(( resid 41 and name HA ))
(( resid 40 and name HA2 ))
3.600 1.600 1.600 peak 1956 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.398 ppm2 4.348 CV 1
ASSI { 1957}
(( resid 41 and name HB ))
(( resid 40 and name HA2 ))
4.300 2.400 1.700 peak 1957 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 4.348 CV 1
ASSI { 1958}
(( resid 58 and name HA ))
(( resid 40 and name HA2 ))
3.700 1.700 1.700 peak 1958 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 4.348 CV 1
ASSI { 1959}
(( resid 58 and name HB ))
(( resid 40 and name HA2 ))
4.600 2.700 1.400 peak 1959 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.282 ppm2 4.348 CV 1
ASSI { 1960}
(( resid 58 and name HG2% ))
(( resid 40 and name HA2 ))
4.300 2.300 1.700 peak 1960 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 4.348 CV 1
ASSI { 1972}
(( resid 42 and name HN ))
(( resid 41 and name HN ))
3.400 1.500 1.500 peak 1972 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.761 ppm2 7.877 CV 1
ASSI { 1974}
(( resid 43 and name HD% ))
(( resid 41 and name HN ))
2.800 2.800 3.200 peak 1974 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 7.877 CV 1
ASSI { 1980}
(( resid 58 and name HG2% ))
(( resid 41 and name HN ))
2.900 2.900 3.100 peak 1980 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 7.877 CV 1
ASSI { 2004}
(( resid 43 and name HD% ))
(( resid 41 and name HB ))
3.300 1.400 1.400 peak 2004 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 2.378 CV 1
ASSI { 2014}
(( resid 42 and name HN ))
(( resid 41 and name HG1% ))
3.600 1.600 1.600 peak 2014 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.761 ppm2 1.216 CV 1
ASSI { 2015}
(( resid 43 and name HB3 ))
(( resid 41 and name HG1% ))
4.300 2.400 1.700 peak 2015 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.423 ppm2 1.216 CV 1
ASSI { 2016}
(( resid 43 and name HD% ))
(( resid 41 and name HG1% ))
3.600 1.600 1.600 peak 2016 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 1.216 CV 1
ASSI { 2030}
(( resid 43 and name HB3 ))
(( resid 42 and name HN ))
3.200 3.200 2.800 peak 2030 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.423 ppm2 8.761 CV 1
ASSI { 2031}
(( resid 43 and name HD% ))
(( resid 42 and name HN ))
2.800 2.800 3.200 peak 2031 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 8.761 CV 1
ASSI { 2035}
(( resid 57 and name HN ))
(( resid 42 and name HN ))
2.100 2.100 3.900 peak 2035 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 8.761 CV 1
ASSI { 2041}
(( resid 43 and name HA ))
(( resid 42 and name HA ))
3.800 1.800 1.800 peak 2041 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.117 ppm2 4.870 CV 1
ASSI { 2042}
(( resid 43 and name HB3 ))
(( resid 42 and name HA ))
3.800 1.800 1.800 peak 2042 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.423 ppm2 4.870 CV 1
ASSI { 2043}
(( resid 43 and name HD% ))
(( resid 42 and name HA ))
2.900 1.100 1.100 peak 2043 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 4.870 CV 1
ASSI { 2068}
(( resid 44 and name HN ))
(( resid 43 and name HN ))
3.100 1.200 1.200 peak 2068 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.155 ppm2 9.527 CV 1
ASSI { 2073}
(( resid 55 and name HA2 ))
(( resid 43 and name HN ))
3.400 1.400 1.400 peak 2073 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.963 ppm2 9.527 CV 1
ASSI { 2085}
(( resid 44 and name HA ))
(( resid 43 and name HA ))
3.600 1.700 1.700 peak 2085 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.234 ppm2 5.117 CV 1
ASSI { 2091}
(( resid 44 and name HN ))
(( resid 43 and name HB2 ))
3.300 1.400 1.400 peak 2091 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.155 ppm2 3.637 CV 1
ASSI { 2092}
(( resid 44 and name HA ))
(( resid 43 and name HB2 ))
3.400 3.400 2.600 peak 2092 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.234 ppm2 3.637 CV 1
ASSI { 2093}
(( resid 45 and name HN ))
(( resid 43 and name HB2 ))
3.400 3.400 2.600 peak 2093 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.523 ppm2 3.637 CV 1
ASSI { 2094}
(( resid 45 and name HB3 ))
(( resid 43 and name HB2 ))
4.200 4.200 1.800 peak 2094 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.950 ppm2 3.637 CV 1
ASSI { 2095}
(( resid 45 and name HB2 ))
(( resid 43 and name HB2 ))
3.500 3.500 2.500 peak 2095 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.630 ppm2 3.637 CV 1
ASSI { 2122}
(( resid 56 and name HA ))
(( resid 43 and name HD% ))
2.900 2.900 3.100 peak 2122 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 7.755 CV 1
ASSI { 2123}
(( resid 57 and name HN ))
(( resid 43 and name HD% ))
2.100 2.100 3.900 peak 2123 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 7.755 CV 1
ASSI { 2139}
(( resid 57 and name HB2 ))
(( resid 43 and name HE% ))
3.400 3.400 2.600 peak 2139 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 7.053 CV 1
ASSI { 2148}
(( resid 45 and name HA ))
(( resid 44 and name HN ))
3.000 3.000 3.000 peak 2148 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.974 ppm2 8.155 CV 1
ASSI { 2149}
(( resid 45 and name HB3 ))
(( resid 44 and name HN ))
3.700 3.700 2.300 peak 2149 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.950 ppm2 8.155 CV 1
ASSI { 2150}
(( resid 54 and name HA ))
(( resid 44 and name HN ))
3.400 1.400 1.400 peak 2150 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.445 ppm2 8.155 CV 1
ASSI { 2158}
(( resid 45 and name HA ))
(( resid 44 and name HA ))
3.700 1.700 1.700 peak 2158 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.974 ppm2 5.234 CV 1
ASSI { 2159}
(( resid 45 and name HB3 ))
(( resid 44 and name HA ))
4.100 2.100 1.900 peak 2159 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.950 ppm2 5.234 CV 1
ASSI { 2160}
(( resid 45 and name HB2 ))
(( resid 44 and name HA ))
3.900 1.900 1.900 peak 2160 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.630 ppm2 5.234 CV 1
ASSI { 2165}
(( resid 55 and name HN ))
(( resid 44 and name HA ))
3.600 1.600 1.600 peak 2165 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 5.234 CV 1
ASSI { 2182}
(( resid 46 and name HA ))
(( resid 45 and name HN ))
2.900 2.900 3.100 peak 2182 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.226 ppm2 8.523 CV 1
ASSI { 2183}
(( resid 52 and name HA ))
(( resid 45 and name HN ))
3.100 3.100 2.900 peak 2183 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 8.523 CV 1
ASSI { 2186}
(( resid 54 and name HN ))
(( resid 45 and name HN ))
2.800 2.800 3.200 peak 2186 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.557 ppm2 8.523 CV 1
ASSI { 2188}
(( resid 55 and name HN ))
(( resid 45 and name HN ))
2.100 2.100 3.900 peak 2188 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 8.523 CV 1
ASSI { 2199}
(( resid 46 and name HB2 ))
(( resid 45 and name HA ))
3.900 1.900 1.900 peak 2199 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.543 ppm2 4.974 CV 1
ASSI { 2200}
(( resid 46 and name HB3 ))
(( resid 45 and name HA ))
4.400 2.400 1.600 peak 2200 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 4.974 CV 1
ASSI { 2210}
(( resid 46 and name HN ))
(( resid 45 and name HB3 ))
3.500 1.500 1.500 peak 2210 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.645 ppm2 2.950 CV 1
ASSI { 2219}
(( resid 46 and name HN ))
(( resid 45 and name HB2 ))
4.000 2.000 2.000 peak 2219 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.645 ppm2 2.630 CV 1
ASSI { 2220}
(( resid 46 and name HA ))
(( resid 45 and name HB2 ))
2.700 2.700 3.300 peak 2220 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.226 ppm2 2.630 CV 1
ASSI { 2228}
(( resid 46 and name HN ))
(( resid 45 and name HD% ))
2.900 1.100 1.100 peak 2228 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.645 ppm2 6.534 CV 1
ASSI { 2229}
(( resid 46 and name HA ))
(( resid 45 and name HD% ))
3.500 1.500 1.500 peak 2229 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.226 ppm2 6.534 CV 1
ASSI { 2230}
(( resid 46 and name HB2 ))
(( resid 45 and name HD% ))
4.000 2.000 2.000 peak 2230 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.543 ppm2 6.534 CV 1
ASSI { 2231}
(( resid 46 and name HB3 ))
(( resid 45 and name HD% ))
3.800 1.800 1.800 peak 2231 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 6.534 CV 1
ASSI { 2232}
(( resid 47 and name HN ))
(( resid 45 and name HD% ))
3.100 3.100 2.900 peak 2232 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.081 ppm2 6.534 CV 1
ASSI { 2233}
(( resid 47 and name HA ))
(( resid 45 and name HD% ))
3.000 3.000 3.000 peak 2233 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 6.534 CV 1
ASSI { 2237}
(( resid 46 and name HN ))
(( resid 45 and name HE% ))
3.000 1.200 1.200 peak 2237 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.645 ppm2 6.153 CV 1
ASSI { 2238}
(( resid 46 and name HB3 ))
(( resid 45 and name HE% ))
3.300 3.300 2.700 peak 2238 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 6.153 CV 1
ASSI { 2240}
(( resid 48 and name HN ))
(( resid 45 and name HE% ))
2.300 2.300 3.700 peak 2240 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.398 ppm2 6.153 CV 1
ASSI { 2252}
(( resid 47 and name HA ))
(( resid 46 and name HN ))
2.400 2.400 3.600 peak 2252 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 7.645 CV 1
ASSI { 2253}
(( resid 52 and name HA ))
(( resid 46 and name HN ))
2.400 2.400 3.600 peak 2253 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 7.645 CV 1
ASSI { 2268}
(( resid 53 and name HN ))
(( resid 46 and name HA ))
2.900 1.000 1.000 peak 2268 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.775 ppm2 5.226 CV 1
ASSI { 2276}
(( resid 49 and name HA ))
(( resid 46 and name HB2 ))
4.100 2.100 1.900 peak 2276 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.440 ppm2 3.543 CV 1
ASSI { 2277}
(( resid 52 and name HA ))
(( resid 46 and name HB2 ))
3.500 1.500 1.500 peak 2277 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 3.543 CV 1
ASSI { 2285}
(( resid 47 and name HN ))
(( resid 46 and name HB3 ))
3.600 1.600 1.600 peak 2285 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.081 ppm2 3.637 CV 1
ASSI { 2286}
(( resid 52 and name HA ))
(( resid 46 and name HB3 ))
2.700 2.700 3.300 peak 2286 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 3.637 CV 1
ASSI { 2299}
(( resid 52 and name HN ))
(( resid 47 and name HN ))
2.900 2.900 3.100 peak 2299 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.294 ppm2 8.081 CV 1
ASSI { 2301}
(( resid 53 and name HN ))
(( resid 47 and name HN ))
3.000 3.000 3.000 peak 2301 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.775 ppm2 8.081 CV 1
ASSI { 2311}
(( resid 48 and name HA ))
(( resid 47 and name HA ))
4.800 2.900 1.200 peak 2311 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.946 ppm2 4.316 CV 1
ASSI { 2321}
(( resid 49 and name HN ))
(( resid 48 and name HN ))
2.800 1.000 1.000 peak 2321 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 7.398 CV 1
ASSI { 2329}
(( resid 49 and name HB2 ))
(( resid 48 and name HA ))
3.800 1.800 1.800 peak 2329 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.527 ppm2 3.946 CV 1
ASSI { 2330}
(( resid 50 and name HN ))
(( resid 48 and name HA ))
3.300 1.400 1.400 peak 2330 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.014 ppm2 3.946 CV 1
ASSI { 2337}
(( resid 49 and name HB2 ))
(( resid 48 and name HB% ))
4.800 2.900 1.200 peak 2337 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.527 ppm2 1.462 CV 1
ASSI { 2339}
(( resid 50 and name HA1 ))
(( resid 48 and name HB% ))
3.300 3.300 2.700 peak 2339 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.558 ppm2 1.462 CV 1
ASSI { 2341}
(( resid 51 and name HG2% ))
(( resid 48 and name HB% ))
4.100 2.100 1.900 peak 2341 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 1.462 CV 1
ASSI { 2354}
(( resid 51 and name HN ))
(( resid 49 and name HN ))
3.200 1.300 1.300 peak 2354 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 7.392 CV 1
ASSI { 2361}
(( resid 50 and name HA2 ))
(( resid 49 and name HA ))
4.000 2.000 2.000 peak 2361 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.403 ppm2 4.440 CV 1
ASSI { 2369}
(( resid 50 and name HN ))
(( resid 49 and name HB2 ))
3.800 1.800 1.800 peak 2369 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.014 ppm2 2.527 CV 1
ASSI { 2370}
(( resid 50 and name HA2 ))
(( resid 49 and name HB2 ))
2.900 2.900 3.100 peak 2370 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.403 ppm2 2.527 CV 1
ASSI { 2371}
(( resid 50 and name HA1 ))
(( resid 49 and name HB2 ))
3.000 3.000 3.000 peak 2371 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.558 ppm2 2.527 CV 1
ASSI { 2376}
(( resid 50 and name HN ))
(( resid 49 and name HB3 ))
3.400 1.400 1.400 peak 2376 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.014 ppm2 3.079 CV 1
ASSI { 2377}
(( resid 50 and name HA2 ))
(( resid 49 and name HB3 ))
3.700 1.700 1.700 peak 2377 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.403 ppm2 3.079 CV 1
ASSI { 2387}
(( resid 51 and name HN ))
(( resid 50 and name HN ))
2.800 1.000 1.000 peak 2387 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 8.014 CV 1
ASSI { 2389}
(( resid 51 and name HG2% ))
(( resid 50 and name HN ))
4.300 2.300 1.700 peak 2389 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 8.014 CV 1
ASSI { 2396}
(( resid 51 and name HN ))
(( resid 50 and name HA2 ))
3.300 1.400 1.400 peak 2396 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 4.403 CV 1
ASSI { 2397}
(( resid 51 and name HA ))
(( resid 50 and name HA2 ))
3.700 1.700 1.700 peak 2397 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.782 ppm2 4.403 CV 1
ASSI { 2403}
(( resid 51 and name HN ))
(( resid 50 and name HA1 ))
3.500 1.500 1.500 peak 2403 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 3.558 CV 1
ASSI { 2404}
(( resid 51 and name HA ))
(( resid 50 and name HA1 ))
3.700 1.700 1.700 peak 2404 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.782 ppm2 3.558 CV 1
ASSI { 2405}
(( resid 51 and name HG2% ))
(( resid 50 and name HA1 ))
3.500 1.500 1.500 peak 2405 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 3.558 CV 1
ASSI { 2429}
(( resid and name ))
(( resid 51 and name HA ))
5.900 4.300 0.100 peak 2429 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 3.782 CV 1
ASSI { 2432}
(( resid 72 and name HB3 ))
(( resid 51 and name HA ))
3.900 1.900 1.900 peak 2432 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 3.782 CV 1
ASSI { 2433}
(( resid 72 and name HB2 ))
(( resid 51 and name HA ))
4.000 2.000 2.000 peak 2433 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 3.782 CV 1
ASSI { 2444}
(( resid and name ))
(( resid 51 and name HB ))
6.000 4.500 0.000 peak 2444 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.994 CV 1
ASSI { 2454}
(( resid 52 and name HN ))
(( resid 51 and name HG2% ))
5.000 3.200 1.000 peak 2454 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.294 ppm2 0.965 CV 1
ASSI { 2455}
(( resid and name ))
(( resid 51 and name HG2% ))
6.000 5.500 0.000 peak 2455 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 0.965 CV 1
ASSI { 2469}
(( resid and name ))
(( resid 52 and name HN ))
4.800 2.900 1.200 peak 2469 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.294 CV 1
ASSI { 2470}
(( resid 70 and name HN ))
(( resid 52 and name HN ))
3.100 3.100 2.900 peak 2470 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.962 ppm2 8.294 CV 1
ASSI { 2474}
(( resid 72 and name HB3 ))
(( resid 52 and name HN ))
3.500 1.500 1.500 peak 2474 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 8.294 CV 1
ASSI { 2487}
(( resid 53 and name HA ))
(( resid 52 and name HA ))
3.500 1.600 1.600 peak 2487 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.327 ppm2 4.467 CV 1
ASSI { 2489}
(( resid 70 and name HA ))
(( resid 52 and name HA ))
3.500 1.500 1.500 peak 2489 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 4.467 CV 1
ASSI { 2532}
(( resid 68 and name HB2 ))
(( resid 53 and name HA ))
4.600 2.600 1.400 peak 2532 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 5.327 CV 1
ASSI { 2533}
(( resid 68 and name HB3 ))
(( resid 53 and name HA ))
3.900 1.900 1.900 peak 2533 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 5.327 CV 1
ASSI { 2539}
(( resid 71 and name HN ))
(( resid 53 and name HA ))
2.800 1.000 1.000 peak 2539 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.277 ppm2 5.327 CV 1
ASSI { 2563}
(( resid 68 and name HB2 ))
(( resid 53 and name HG ))
6.000 6.000 0.000 peak 2563 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 0.192 CV 1
ASSI { 2564}
(( resid 68 and name HB3 ))
(( resid 53 and name HG ))
6.000 4.600 0.000 peak 2564 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 0.192 CV 1
ASSI { 2570}
(( resid 77 and name HD2% ))
(( resid 53 and name HG ))
6.000 6.000 0.000 peak 2570 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.712 ppm2 0.192 CV 1
ASSI { 2594}
(( resid 55 and name HA1 ))
(( resid 54 and name HN ))
3.400 1.500 1.500 peak 2594 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.572 ppm2 8.557 CV 1
ASSI { 2595}
(( resid 55 and name HA2 ))
(( resid 54 and name HN ))
3.500 1.500 1.500 peak 2595 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.963 ppm2 8.557 CV 1
ASSI { 2597}
(( resid 68 and name HB2 ))
(( resid 54 and name HN ))
4.400 2.400 1.600 peak 2597 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 8.557 CV 1
ASSI { 2598}
(( resid 68 and name HB3 ))
(( resid 54 and name HN ))
3.700 1.700 1.700 peak 2598 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 8.557 CV 1
ASSI { 2602}
(( resid 70 and name HA ))
(( resid 54 and name HN ))
3.300 1.400 1.400 peak 2602 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 8.557 CV 1
ASSI { 2603}
(( resid 71 and name HN ))
(( resid 54 and name HN ))
2.800 2.800 3.200 peak 2603 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.277 ppm2 8.557 CV 1
ASSI { 2615}
(( resid 55 and name HA1 ))
(( resid 54 and name HA ))
3.900 1.900 1.900 peak 2615 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.572 ppm2 5.445 CV 1
ASSI { 2637}
(( resid 55 and name HA1 ))
(( resid 54 and name HG2% ))
4.300 2.300 1.700 peak 2637 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.572 ppm2 1.181 CV 1
ASSI { 2638}
(( resid 55 and name HA2 ))
(( resid 54 and name HG2% ))
5.000 3.100 1.000 peak 2638 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.963 ppm2 1.181 CV 1
ASSI { 2651}
(( resid 56 and name HA ))
(( resid 55 and name HN ))
3.000 3.000 3.000 peak 2651 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 8.671 CV 1
ASSI { 2652}
(( resid 56 and name HB ))
(( resid 55 and name HN ))
3.500 3.500 2.500 peak 2652 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 8.671 CV 1
ASSI { 2654}
(( resid 68 and name HB3 ))
(( resid 55 and name HN ))
3.700 3.700 2.300 peak 2654 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 8.671 CV 1
ASSI { 2664}
(( resid 56 and name HN ))
(( resid 55 and name HA1 ))
2.900 1.100 1.100 peak 2664 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.766 ppm2 4.572 CV 1
ASSI { 2665}
(( resid 56 and name HA ))
(( resid 55 and name HA1 ))
3.600 1.600 1.600 peak 2665 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 4.572 CV 1
ASSI { 2666}
(( resid 56 and name HB ))
(( resid 55 and name HA1 ))
3.900 1.900 1.900 peak 2666 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 4.572 CV 1
ASSI { 2667}
(( resid 56 and name HG2% ))
(( resid 55 and name HA1 ))
5.300 3.500 0.700 peak 2667 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.038 ppm2 4.572 CV 1
ASSI { 2668}
(( resid 67 and name HN ))
(( resid 55 and name HA1 ))
3.600 1.600 1.600 peak 2668 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 4.572 CV 1
ASSI { 2669}
(( resid 68 and name HA ))
(( resid 55 and name HA1 ))
3.800 1.800 1.800 peak 2669 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 4.572 CV 1
ASSI { 2670}
(( resid 68 and name HB3 ))
(( resid 55 and name HA1 ))
4.800 2.800 1.200 peak 2670 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 4.572 CV 1
ASSI { 2678}
(( resid 56 and name HN ))
(( resid 55 and name HA2 ))
3.300 1.400 1.400 peak 2678 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.766 ppm2 3.963 CV 1
ASSI { 2679}
(( resid 56 and name HA ))
(( resid 55 and name HA2 ))
3.700 1.700 1.700 peak 2679 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 3.963 CV 1
ASSI { 2680}
(( resid 56 and name HB ))
(( resid 55 and name HA2 ))
4.500 2.500 1.500 peak 2680 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 3.963 CV 1
ASSI { 2681}
(( resid 56 and name HG2% ))
(( resid 55 and name HA2 ))
6.000 4.400 0.000 peak 2681 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.038 ppm2 3.963 CV 1
ASSI { 2682}
(( resid 67 and name HN ))
(( resid 55 and name HA2 ))
3.100 1.200 1.200 peak 2682 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 3.963 CV 1
ASSI { 2683}
(( resid 67 and name HA ))
(( resid 55 and name HA2 ))
3.400 3.400 2.600 peak 2683 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.554 ppm2 3.963 CV 1
ASSI { 2684}
(( resid 68 and name HN ))
(( resid 55 and name HA2 ))
3.000 1.200 1.200 peak 2684 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.457 ppm2 3.963 CV 1
ASSI { 2685}
(( resid 68 and name HA ))
(( resid 55 and name HA2 ))
2.900 1.100 1.100 peak 2685 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 3.963 CV 1
ASSI { 2686}
(( resid 68 and name HB2 ))
(( resid 55 and name HA2 ))
4.300 2.300 1.700 peak 2686 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 3.963 CV 1
ASSI { 2688}
(( resid 69 and name HN ))
(( resid 55 and name HA2 ))
3.400 1.500 1.500 peak 2688 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 3.963 CV 1
ASSI { 2698}
(( resid 57 and name HN ))
(( resid 56 and name HN ))
3.200 1.300 1.300 peak 2698 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 6.766 CV 1
ASSI { 2699}
(( resid 57 and name HA ))
(( resid 56 and name HN ))
3.100 3.100 2.900 peak 2699 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.340 ppm2 6.766 CV 1
ASSI { 2701}
(( resid 66 and name HA2 ))
(( resid 56 and name HN ))
3.900 1.900 1.900 peak 2701 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 6.766 CV 1
ASSI { 2703}
(( resid 67 and name HA ))
(( resid 56 and name HN ))
3.300 3.300 2.700 peak 2703 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.554 ppm2 6.766 CV 1
ASSI { 2705}
(( resid 68 and name HA ))
(( resid 56 and name HN ))
3.800 1.800 1.800 peak 2705 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 6.766 CV 1
ASSI { 2722}
(( resid 57 and name HB2 ))
(( resid 56 and name HA ))
4.400 2.400 1.600 peak 2722 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 4.778 CV 1
ASSI { 2736}
(( resid 58 and name HG2% ))
(( resid 56 and name HB ))
3.300 3.300 2.700 peak 2736 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 3.837 CV 1
ASSI { 2737}
(( resid 67 and name HN ))
(( resid 56 and name HB ))
2.400 2.400 3.600 peak 2737 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 3.837 CV 1
ASSI { 2746}
(( resid 57 and name HA ))
(( resid 56 and name HG2% ))
4.200 2.200 1.800 peak 2746 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.340 ppm2 1.038 CV 1
ASSI { 2747}
(( resid 58 and name HN ))
(( resid 56 and name HG2% ))
3.900 1.900 1.900 peak 2747 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 1.038 CV 1
ASSI { 2749}
(( resid 66 and name HA1 ))
(( resid 56 and name HG2% ))
4.300 2.300 1.700 peak 2749 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 1.038 CV 1
ASSI { 2750}
(( resid 66 and name HA2 ))
(( resid 56 and name HG2% ))
5.300 3.400 0.700 peak 2750 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 1.038 CV 1
ASSI { 2752}
(( resid 67 and name HB3 ))
(( resid 56 and name HG2% ))
4.000 2.000 2.000 peak 2752 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 1.038 CV 1
ASSI { 2772}
(( resid 58 and name HN ))
(( resid 57 and name HN ))
3.000 3.000 3.000 peak 2772 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 9.142 CV 1
ASSI { 2773}
(( resid 58 and name HA ))
(( resid 57 and name HN ))
3.000 3.000 3.000 peak 2773 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 9.142 CV 1
ASSI { 2786}
(( resid 59 and name HN ))
(( resid 57 and name HA ))
3.600 3.600 2.400 peak 2786 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 5.340 CV 1
ASSI { 2787}
(( resid 66 and name HA1 ))
(( resid 57 and name HA ))
3.900 1.900 1.900 peak 2787 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 5.340 CV 1
ASSI { 2788}
(( resid 66 and name HA2 ))
(( resid 57 and name HA ))
3.200 1.200 1.200 peak 2788 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 5.340 CV 1
ASSI { 2804}
(( resid 58 and name HN ))
(( resid 57 and name HB2 ))
4.000 2.000 2.000 peak 2804 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 2.453 CV 1
ASSI { 2814}
(( resid 58 and name HN ))
(( resid 57 and name HB3 ))
3.600 1.600 1.600 peak 2814 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 2.528 CV 1
ASSI { 2815}
(( resid 58 and name HA ))
(( resid 57 and name HB3 ))
3.700 1.700 1.700 peak 2815 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 2.528 CV 1
ASSI { 2816}
(( resid 59 and name HN ))
(( resid 57 and name HB3 ))
3.500 3.500 2.500 peak 2816 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 2.528 CV 1
ASSI { 2818}
(( resid 59 and name HB2 ))
(( resid 57 and name HB3 ))
4.000 4.000 2.000 peak 2818 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.301 ppm2 2.528 CV 1
ASSI { 2831}
(( resid 59 and name HN ))
(( resid 58 and name HN ))
3.100 1.200 1.200 peak 2831 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 9.257 CV 1
ASSI { 2832}
(( resid 59 and name HA ))
(( resid 58 and name HN ))
2.900 2.900 3.100 peak 2832 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.498 ppm2 9.257 CV 1
ASSI { 2836}
(( resid 66 and name HA1 ))
(( resid 58 and name HN ))
3.100 1.200 1.200 peak 2836 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 9.257 CV 1
ASSI { 2837}
(( resid 66 and name HA2 ))
(( resid 58 and name HN ))
3.600 1.600 1.600 peak 2837 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 9.257 CV 1
ASSI { 2851}
(( resid 59 and name HA ))
(( resid 58 and name HA ))
3.600 1.600 1.600 peak 2851 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.498 ppm2 4.670 CV 1
ASSI { 2852}
(( resid 59 and name HB3 ))
(( resid 58 and name HA ))
4.800 2.900 1.200 peak 2852 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 4.670 CV 1
ASSI { 2860}
(( resid 59 and name HN ))
(( resid 58 and name HB ))
3.300 1.300 1.300 peak 2860 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 4.282 CV 1
ASSI { 2873}
(( resid 59 and name HN ))
(( resid 58 and name HG2% ))
4.700 2.700 1.300 peak 2873 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 1.247 CV 1
ASSI { 2874}
(( resid 66 and name HA1 ))
(( resid 58 and name HG2% ))
3.200 3.200 2.800 peak 2874 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 1.247 CV 1
ASSI { 2875}
(( resid 66 and name HA2 ))
(( resid 58 and name HG2% ))
3.700 1.700 1.700 peak 2875 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 1.247 CV 1
ASSI { 2891}
(( resid 60 and name HN ))
(( resid 59 and name HN ))
3.200 1.300 1.300 peak 2891 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 8.862 CV 1
ASSI { 2903}
(( resid 60 and name HA ))
(( resid 59 and name HA ))
3.700 1.700 1.700 peak 2903 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.684 ppm2 5.498 CV 1
ASSI { 2904}
(( resid 60 and name HB2 ))
(( resid 59 and name HA ))
3.900 1.900 1.900 peak 2904 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.055 ppm2 5.498 CV 1
ASSI { 2905}
(( resid 60 and name HB3 ))
(( resid 59 and name HA ))
4.200 2.200 1.800 peak 2905 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.922 ppm2 5.498 CV 1
ASSI { 2908}
(( resid and name ))
(( resid 59 and name HA ))
4.000 2.000 2.000 peak 2908 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.498 CV 1
ASSI { 2910}
(( resid 64 and name HA ))
(( resid 59 and name HA ))
2.700 0.900 0.900 peak 2910 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 5.498 CV 1
ASSI { 2923}
(( resid 60 and name HN ))
(( resid 59 and name HB2 ))
4.100 2.100 1.900 peak 2923 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 2.301 CV 1
ASSI { 2924}
(( resid 64 and name HA ))
(( resid 59 and name HB2 ))
3.400 1.400 1.400 peak 2924 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 2.301 CV 1
ASSI { 2935}
(( resid 60 and name HA ))
(( resid 59 and name HB3 ))
4.000 2.000 2.000 peak 2935 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.684 ppm2 2.136 CV 1
ASSI { 2942}
(( resid 60 and name HN ))
(( resid 59 and name HG2 ))
3.400 1.400 1.400 peak 2942 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 2.625 CV 1
ASSI { 2943}
(( resid 60 and name HA ))
(( resid 59 and name HG2 ))
3.400 1.500 1.500 peak 2943 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.684 ppm2 2.625 CV 1
ASSI { 2944}
(( resid 60 and name HB3 ))
(( resid 59 and name HG2 ))
5.100 3.300 0.900 peak 2944 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.922 ppm2 2.625 CV 1
ASSI { 2946}
(( resid 61 and name HA1 ))
(( resid 59 and name HG2 ))
4.400 2.400 1.600 peak 2946 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.765 ppm2 2.625 CV 1
ASSI { 2947}
(( resid 61 and name HA2 ))
(( resid 59 and name HG2 ))
4.400 2.400 1.600 peak 2947 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 2.625 CV 1
ASSI { 2948}
(( resid 62 and name HN ))
(( resid 59 and name HG2 ))
3.800 1.800 1.800 peak 2948 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.810 ppm2 2.625 CV 1
ASSI { 2949}
(( resid 63 and name HN ))
(( resid 59 and name HG2 ))
3.900 1.900 1.900 peak 2949 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 2.625 CV 1
ASSI { 2950}
(( resid 64 and name HA ))
(( resid 59 and name HG2 ))
4.700 2.700 1.300 peak 2950 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 2.625 CV 1
ASSI { 2951}
(( resid 64 and name HG ))
(( resid 59 and name HG2 ))
6.000 4.500 0.000 peak 2951 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 2.625 CV 1
ASSI { 2956}
(( resid 60 and name HN ))
(( resid 59 and name HE% ))
4.200 2.300 1.800 peak 2956 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 1.848 CV 1
ASSI { 2957}
(( resid 61 and name HN ))
(( resid 59 and name HE% ))
3.600 1.600 1.600 peak 2957 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 1.848 CV 1
ASSI { 2958}
(( resid 61 and name HA1 ))
(( resid 59 and name HE% ))
4.400 2.400 1.600 peak 2958 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.765 ppm2 1.848 CV 1
ASSI { 2959}
(( resid 61 and name HA2 ))
(( resid 59 and name HE% ))
4.800 2.800 1.200 peak 2959 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 1.848 CV 1
ASSI { 2960}
(( resid 62 and name HN ))
(( resid 59 and name HE% ))
4.100 2.100 1.900 peak 2960 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.810 ppm2 1.848 CV 1
ASSI { 2961}
(( resid 62 and name HA ))
(( resid 59 and name HE% ))
3.800 1.800 1.800 peak 2961 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.913 ppm2 1.848 CV 1
ASSI { 2963}
(( resid 63 and name HA ))
(( resid 59 and name HE% ))
4.100 2.100 1.900 peak 2963 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.185 ppm2 1.848 CV 1
ASSI { 2964}
(( resid 64 and name HG ))
(( resid 59 and name HE% ))
5.400 3.700 0.600 peak 2964 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 1.848 CV 1
ASSI { 2975}
(( resid 61 and name HN ))
(( resid 60 and name HN ))
3.100 1.200 1.200 peak 2975 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 9.095 CV 1
ASSI { 2976}
(( resid 61 and name HA1 ))
(( resid 60 and name HN ))
3.700 1.700 1.700 peak 2976 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.765 ppm2 9.095 CV 1
ASSI { 2977}
(( resid 61 and name HA2 ))
(( resid 60 and name HN ))
3.300 3.300 2.700 peak 2977 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 9.095 CV 1
ASSI { 2979}
(( resid and name ))
(( resid 60 and name HN ))
3.300 1.400 1.400 peak 2979 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.095 CV 1
ASSI { 2983}
(( resid 65 and name HB ))
(( resid 60 and name HN ))
2.600 2.600 3.400 peak 2983 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.996 ppm2 9.095 CV 1
ASSI { 2991}
(( resid 61 and name HN ))
(( resid 60 and name HA ))
2.700 0.900 0.900 peak 2991 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 4.684 CV 1
ASSI { 2992}
(( resid 61 and name HA1 ))
(( resid 60 and name HA ))
4.700 2.800 1.300 peak 2992 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.765 ppm2 4.684 CV 1
ASSI { 2993}
(( resid 61 and name HA2 ))
(( resid 60 and name HA ))
4.400 2.400 1.600 peak 2993 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 4.684 CV 1
ASSI { 2999}
(( resid 61 and name HN ))
(( resid 60 and name HB2 ))
4.600 2.600 1.400 peak 2999 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 2.055 CV 1
ASSI { 3000}
(( resid and name ))
(( resid 60 and name HB2 ))
3.500 3.500 2.500 peak 3000 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 2.055 CV 1
ASSI { 3001}
(( resid 65 and name HB ))
(( resid 60 and name HB2 ))
3.400 3.400 2.600 peak 3001 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.996 ppm2 2.055 CV 1
ASSI { 3008}
(( resid 61 and name HN ))
(( resid 60 and name HB3 ))
4.600 2.600 1.400 peak 3008 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 1.922 CV 1
ASSI { 3009}
(( resid 61 and name HA1 ))
(( resid 60 and name HB3 ))
4.900 3.000 1.100 peak 3009 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.765 ppm2 1.922 CV 1
ASSI { 3010}
(( resid 61 and name HA2 ))
(( resid 60 and name HB3 ))
4.000 2.000 2.000 peak 3010 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 1.922 CV 1
ASSI { 3011}
(( resid 63 and name HN ))
(( resid 60 and name HB3 ))
3.700 1.700 1.700 peak 3011 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 1.922 CV 1
ASSI { 3012}
(( resid and name ))
(( resid 60 and name HB3 ))
4.000 2.000 2.000 peak 3012 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.922 CV 1
ASSI { 3013}
(( resid 65 and name HN ))
(( resid 60 and name HB3 ))
2.600 2.600 3.400 peak 3013 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 1.922 CV 1
ASSI { 3025}
(( resid 62 and name HN ))
(( resid 61 and name HN ))
2.800 1.000 1.000 peak 3025 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.810 ppm2 9.042 CV 1
ASSI { 3038}
(( resid 62 and name HN ))
(( resid 61 and name HA1 ))
3.400 1.500 1.500 peak 3038 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.810 ppm2 3.765 CV 1
ASSI { 3039}
(( resid 62 and name HA ))
(( resid 61 and name HA1 ))
3.800 1.800 1.800 peak 3039 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.913 ppm2 3.765 CV 1
ASSI { 3040}
(( resid 62 and name HB3 ))
(( resid 61 and name HA1 ))
4.100 2.100 1.900 peak 3040 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.191 ppm2 3.765 CV 1
ASSI { 3041}
(( resid 63 and name HN ))
(( resid 61 and name HA1 ))
3.800 1.800 1.800 peak 3041 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 3.765 CV 1
ASSI { 3050}
(( resid 62 and name HN ))
(( resid 61 and name HA2 ))
3.000 1.200 1.200 peak 3050 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.810 ppm2 4.107 CV 1
ASSI { 3051}
(( resid 62 and name HB3 ))
(( resid 61 and name HA2 ))
4.100 2.100 1.900 peak 3051 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.191 ppm2 4.107 CV 1
ASSI { 3052}
(( resid 63 and name HN ))
(( resid 61 and name HA2 ))
3.500 1.500 1.500 peak 3052 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 4.107 CV 1
ASSI { 3062}
(( resid 63 and name HN ))
(( resid 62 and name HN ))
2.700 0.900 0.900 peak 3062 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 8.810 CV 1
ASSI { 3063}
(( resid and name ))
(( resid 62 and name HN ))
3.600 1.700 1.700 peak 3063 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.810 CV 1
ASSI { 3072}
(( resid 63 and name HA ))
(( resid 62 and name HA ))
3.300 1.300 1.300 peak 3072 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.185 ppm2 4.913 CV 1
ASSI { 3073}
(( resid 82 and name HA ))
(( resid 62 and name HA ))
3.400 3.400 2.600 peak 3073 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 4.913 CV 1
ASSI { 3076}
(( resid 83 and name HD1% ))
(( resid 62 and name HA ))
4.500 2.500 1.500 peak 3076 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 4.913 CV 1
ASSI { 3083}
(( resid 63 and name HN ))
(( resid 62 and name HB3 ))
3.800 1.800 1.800 peak 3083 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 3.191 CV 1
ASSI { 3088}
(( resid 63 and name HN ))
(( resid 62 and name HB2 ))
3.600 1.600 1.600 peak 3088 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 2.989 CV 1
ASSI { 3089}
(( resid 63 and name HA ))
(( resid 62 and name HB2 ))
3.600 1.600 1.600 peak 3089 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.185 ppm2 2.989 CV 1
ASSI { 3091}
(( resid 83 and name HN ))
(( resid 62 and name HB2 ))
3.300 1.400 1.400 peak 3091 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.595 ppm2 2.989 CV 1
ASSI { 3092}
(( resid 83 and name HB ))
(( resid 62 and name HB2 ))
4.400 2.400 1.600 peak 3092 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.619 ppm2 2.989 CV 1
ASSI { 3108}
(( resid 64 and name HN ))
(( resid 63 and name HN ))
3.000 1.100 1.100 peak 3108 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.812 ppm2 8.016 CV 1
ASSI { 3109}
(( resid 64 and name HA ))
(( resid 63 and name HN ))
3.200 1.300 1.300 peak 3109 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 8.016 CV 1
ASSI { 3110}
(( resid 64 and name HG ))
(( resid 63 and name HN ))
4.400 2.400 1.600 peak 3110 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 8.016 CV 1
ASSI { 3126}
(( resid 82 and name HN ))
(( resid 63 and name HA ))
3.300 1.400 1.400 peak 3126 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.902 ppm2 5.185 CV 1
ASSI { 3128}
(( resid 82 and name HB3 ))
(( resid 63 and name HA ))
4.100 2.100 1.900 peak 3128 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 5.185 CV 1
ASSI { 3130}
(( resid 83 and name HD1% ))
(( resid 63 and name HA ))
4.400 2.400 1.600 peak 3130 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 5.185 CV 1
ASSI { 3178}
(( resid 65 and name HA ))
(( resid 64 and name HA ))
3.600 1.600 1.600 peak 3178 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.863 ppm2 5.039 CV 1
ASSI { 3181}
(( resid 81 and name HN ))
(( resid 64 and name HA ))
2.900 2.900 3.100 peak 3181 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 5.039 CV 1
ASSI { 3243}
(( resid 81 and name HN ))
(( resid 65 and name HN ))
2.700 2.700 3.300 peak 3243 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 9.376 CV 1
ASSI { 3252}
(( resid 66 and name HA1 ))
(( resid 65 and name HA ))
4.000 2.000 2.000 peak 3252 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 4.863 CV 1
ASSI { 3253}
(( resid 66 and name HA2 ))
(( resid 65 and name HA ))
4.600 2.600 1.400 peak 3253 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 4.863 CV 1
ASSI { 3268}
(( resid 66 and name HA1 ))
(( resid 65 and name HB ))
3.000 3.000 3.000 peak 3268 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 1.996 CV 1
ASSI { 3294}
(( resid 67 and name HN ))
(( resid 66 and name HN ))
3.000 1.100 1.100 peak 3294 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 10.13 CV 1
ASSI { 3295}
(( resid 67 and name HA ))
(( resid 66 and name HN ))
2.900 2.900 3.100 peak 3295 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.554 ppm2 10.13 CV 1
ASSI { 3296}
(( resid 67 and name HB2 ))
(( resid 66 and name HN ))
3.400 3.400 2.600 peak 3296 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.475 ppm2 10.13 CV 1
ASSI { 3297}
(( resid 67 and name HB3 ))
(( resid 66 and name HN ))
3.800 1.800 1.800 peak 3297 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 10.13 CV 1
ASSI { 3300}
(( resid 80 and name HA ))
(( resid 66 and name HN ))
3.000 1.200 1.200 peak 3300 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.361 ppm2 10.13 CV 1
ASSI { 3311}
(( resid 67 and name HN ))
(( resid 66 and name HA1 ))
3.400 1.400 1.400 peak 3311 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 1.805 CV 1
ASSI { 3312}
(( resid 67 and name HA ))
(( resid 66 and name HA1 ))
3.700 1.700 1.700 peak 3312 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.554 ppm2 1.805 CV 1
ASSI { 3313}
(( resid 67 and name HB2 ))
(( resid 66 and name HA1 ))
4.000 2.000 2.000 peak 3313 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.475 ppm2 1.805 CV 1
ASSI { 3314}
(( resid 67 and name HB3 ))
(( resid 66 and name HA1 ))
4.100 2.100 1.900 peak 3314 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 1.805 CV 1
ASSI { 3324}
(( resid 67 and name HN ))
(( resid 66 and name HA2 ))
3.400 1.400 1.400 peak 3324 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 4.434 CV 1
ASSI { 3325}
(( resid 67 and name HA ))
(( resid 66 and name HA2 ))
4.100 2.100 1.900 peak 3325 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.554 ppm2 4.434 CV 1
ASSI { 3326}
(( resid 67 and name HB3 ))
(( resid 66 and name HA2 ))
5.100 3.300 0.900 peak 3326 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 4.434 CV 1
ASSI { 3340}
(( resid 68 and name HN ))
(( resid 67 and name HN ))
3.100 1.200 1.200 peak 3340 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.457 ppm2 7.491 CV 1
ASSI { 3342}
(( resid 78 and name HG2% ))
(( resid 67 and name HN ))
4.200 2.200 1.800 peak 3342 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 7.491 CV 1
ASSI { 3353}
(( resid 68 and name HA ))
(( resid 67 and name HA ))
3.600 1.600 1.600 peak 3353 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 4.554 CV 1
ASSI { 3354}
(( resid 68 and name HB2 ))
(( resid 67 and name HA ))
3.800 1.800 1.800 peak 3354 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 4.554 CV 1
ASSI { 3358}
(( resid 78 and name HD1% ))
(( resid 67 and name HA ))
4.800 2.800 1.200 peak 3358 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 4.554 CV 1
ASSI { 3359}
(( resid 79 and name HN ))
(( resid 67 and name HA ))
3.000 1.200 1.200 peak 3359 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 4.554 CV 1
ASSI { 3366}
(( resid 68 and name HN ))
(( resid 67 and name HB2 ))
4.300 2.300 1.700 peak 3366 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.457 ppm2 1.475 CV 1
ASSI { 3369}
(( resid 78 and name HG2% ))
(( resid 67 and name HB2 ))
5.100 3.200 0.900 peak 3369 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 1.475 CV 1
ASSI { 3370}
(( resid 78 and name HD1% ))
(( resid 67 and name HB2 ))
5.300 3.500 0.700 peak 3370 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 1.475 CV 1
ASSI { 3381}
(( resid 68 and name HN ))
(( resid 67 and name HB3 ))
4.300 2.300 1.700 peak 3381 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.457 ppm2 1.600 CV 1
ASSI { 3382}
(( resid 78 and name HG2% ))
(( resid 67 and name HB3 ))
4.100 2.100 1.900 peak 3382 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 1.600 CV 1
ASSI { 3393}
(( resid 69 and name HN ))
(( resid 68 and name HN ))
2.900 2.900 3.100 peak 3393 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 8.457 CV 1
ASSI { 3394}
(( resid 69 and name HA ))
(( resid 68 and name HN ))
3.000 3.000 3.000 peak 3394 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 8.457 CV 1
ASSI { 3402}
(( resid 78 and name HD1% ))
(( resid 68 and name HN ))
4.000 2.000 2.000 peak 3402 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 8.457 CV 1
ASSI { 3403}
(( resid 79 and name HN ))
(( resid 68 and name HN ))
3.300 3.300 2.700 peak 3403 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 8.457 CV 1
ASSI { 3419}
(( resid 69 and name HN ))
(( resid 68 and name HA ))
2.600 0.800 0.800 peak 3419 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 5.443 CV 1
ASSI { 3420}
(( resid 69 and name HA ))
(( resid 68 and name HA ))
3.400 1.400 1.400 peak 3420 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 5.443 CV 1
ASSI { 3422}
(( resid 78 and name HA ))
(( resid 68 and name HA ))
2.400 2.400 3.600 peak 3422 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 5.443 CV 1
ASSI { 3433}
(( resid 69 and name HN ))
(( resid 68 and name HB2 ))
3.700 1.700 1.700 peak 3433 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 3.003 CV 1
ASSI { 3434}
(( resid 69 and name HA ))
(( resid 68 and name HB2 ))
3.800 1.800 1.800 peak 3434 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 3.003 CV 1
ASSI { 3435}
(( resid 77 and name HN ))
(( resid 68 and name HB2 ))
3.000 1.100 1.100 peak 3435 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 3.003 CV 1
ASSI { 3450}
(( resid 69 and name HN ))
(( resid 68 and name HB3 ))
3.000 1.100 1.100 peak 3450 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 2.859 CV 1
ASSI { 3451}
(( resid 69 and name HA ))
(( resid 68 and name HB3 ))
3.500 1.500 1.500 peak 3451 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 2.859 CV 1
ASSI { 3453}
(( resid 77 and name HN ))
(( resid 68 and name HB3 ))
3.100 1.200 1.200 peak 3453 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 2.859 CV 1
ASSI { 3454}
(( resid 78 and name HA ))
(( resid 68 and name HB3 ))
3.900 1.900 1.900 peak 3454 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 2.859 CV 1
ASSI { 3469}
(( resid 70 and name HN ))
(( resid 69 and name HN ))
2.700 2.700 3.300 peak 3469 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.962 ppm2 9.206 CV 1
ASSI { 3473}
(( resid 77 and name HN ))
(( resid 69 and name HN ))
2.500 2.500 3.500 peak 3473 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 9.206 CV 1
ASSI { 3487}
(( resid 76 and name HN ))
(( resid 69 and name HA ))
3.500 1.500 1.500 peak 3487 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 5.099 CV 1
ASSI { 3489}
(( resid 76 and name HB3 ))
(( resid 69 and name HA ))
4.700 2.800 1.300 peak 3489 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.071 ppm2 5.099 CV 1
ASSI { 3491}
(( resid 77 and name HA ))
(( resid 69 and name HA ))
3.800 1.800 1.800 peak 3491 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.116 ppm2 5.099 CV 1
ASSI { 3539}
(( resid 71 and name HA ))
(( resid 70 and name HA ))
4.100 2.100 1.900 peak 3539 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.712 ppm2 4.528 CV 1
ASSI { 3542}
(( resid 72 and name HB3 ))
(( resid 70 and name HA ))
4.300 2.300 1.700 peak 3542 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 4.528 CV 1
ASSI { 3544}
(( resid 76 and name HN ))
(( resid 70 and name HA ))
2.300 2.300 3.700 peak 3544 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 4.528 CV 1
ASSI { 3556}
(( resid 72 and name HB3 ))
(( resid 71 and name HN ))
4.300 2.300 1.700 peak 3556 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 8.277 CV 1
ASSI { 3558}
(( resid 74 and name HN ))
(( resid 71 and name HN ))
3.100 3.100 2.900 peak 3558 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 8.277 CV 1
ASSI { 3565}
(( resid 72 and name HA ))
(( resid 71 and name HA ))
3.800 1.800 1.800 peak 3565 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.311 ppm2 3.712 CV 1
ASSI { 3567}
(( resid 74 and name HN ))
(( resid 71 and name HA ))
3.600 1.600 1.600 peak 3567 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 3.712 CV 1
ASSI { 3569}
(( resid 75 and name HN ))
(( resid 71 and name HA ))
3.100 1.200 1.200 peak 3569 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 3.712 CV 1
ASSI { 3576}
(( resid 72 and name HN ))
(( resid 71 and name HB ))
3.300 1.400 1.400 peak 3576 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 1.993 CV 1
ASSI { 3597}
(( resid 73 and name HN ))
(( resid 72 and name HN ))
2.500 0.800 0.800 peak 3597 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 9.015 CV 1
ASSI { 3598}
(( resid 73 and name HB3 ))
(( resid 72 and name HN ))
3.600 3.600 2.400 peak 3598 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.267 ppm2 9.015 CV 1
ASSI { 3600}
(( resid 75 and name HN ))
(( resid 72 and name HN ))
2.800 2.800 3.200 peak 3600 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 9.015 CV 1
ASSI { 3608}
(( resid 73 and name HA ))
(( resid 72 and name HA ))
3.400 1.500 1.500 peak 3608 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.865 ppm2 4.311 CV 1
ASSI { 3609}
(( resid 74 and name HN ))
(( resid 72 and name HA ))
2.400 2.400 3.600 peak 3609 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 4.311 CV 1
ASSI { 3620}
(( resid 73 and name HN ))
(( resid 72 and name HB3 ))
3.200 1.300 1.300 peak 3620 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 1.773 CV 1
ASSI { 3627}
(( resid 73 and name HN ))
(( resid 72 and name HB2 ))
4.400 2.400 1.600 peak 3627 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 1.513 CV 1
ASSI { 3628}
(( resid 73 and name HA ))
(( resid 72 and name HB2 ))
3.100 3.100 2.900 peak 3628 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.865 ppm2 1.513 CV 1
ASSI { 3629}
(( resid 73 and name HB3 ))
(( resid 72 and name HB2 ))
3.300 3.300 2.700 peak 3629 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.267 ppm2 1.513 CV 1
ASSI { 3630}
(( resid 74 and name HN ))
(( resid 72 and name HB2 ))
2.800 2.800 3.200 peak 3630 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 1.513 CV 1
ASSI { 3644}
(( resid 74 and name HA1 ))
(( resid 73 and name HN ))
4.300 2.300 1.700 peak 3644 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.142 ppm2 8.442 CV 1
ASSI { 3645}
(( resid 74 and name HA2 ))
(( resid 73 and name HN ))
3.900 1.900 1.900 peak 3645 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.956 ppm2 8.442 CV 1
ASSI { 3656}
(( resid 74 and name HA2 ))
(( resid 73 and name HA ))
4.100 2.100 1.900 peak 3656 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.956 ppm2 4.865 CV 1
ASSI { 3657}
(( resid 75 and name HN ))
(( resid 73 and name HA ))
3.300 1.300 1.300 peak 3657 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 4.865 CV 1
ASSI { 3665}
(( resid 74 and name HN ))
(( resid 73 and name HB3 ))
3.200 1.300 1.300 peak 3665 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 3.267 CV 1
ASSI { 3666}
(( resid 75 and name HN ))
(( resid 73 and name HB3 ))
2.500 2.500 3.500 peak 3666 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 3.267 CV 1
ASSI { 3674}
(( resid 74 and name HN ))
(( resid 73 and name HB2 ))
3.800 1.800 1.800 peak 3674 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 2.683 CV 1
ASSI { 3675}
(( resid 74 and name HA2 ))
(( resid 73 and name HB2 ))
2.800 2.800 3.200 peak 3675 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.956 ppm2 2.683 CV 1
ASSI { 3676}
(( resid 75 and name HN ))
(( resid 73 and name HB2 ))
2.600 2.600 3.400 peak 3676 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 2.683 CV 1
ASSI { 3697}
(( resid 76 and name HN ))
(( resid 74 and name HN ))
3.100 3.100 2.900 peak 3697 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 7.951 CV 1
ASSI { 3703}
(( resid 75 and name HN ))
(( resid 74 and name HA1 ))
3.600 1.600 1.600 peak 3703 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 4.142 CV 1
ASSI { 3704}
(( resid 75 and name HA ))
(( resid 74 and name HA1 ))
4.300 2.300 1.700 peak 3704 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.323 ppm2 4.142 CV 1
ASSI { 3711}
(( resid 75 and name HN ))
(( resid 74 and name HA2 ))
3.000 1.200 1.200 peak 3711 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 3.956 CV 1
ASSI { 3712}
(( resid 75 and name HA ))
(( resid 74 and name HA2 ))
4.100 2.100 1.900 peak 3712 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.323 ppm2 3.956 CV 1
ASSI { 3728}
(( resid 76 and name HN ))
(( resid 75 and name HN ))
2.700 0.900 0.900 peak 3728 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 8.164 CV 1
ASSI { 3729}
(( resid 94 and name HE% ))
(( resid 75 and name HN ))
2.200 2.200 3.800 peak 3729 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.566 ppm2 8.164 CV 1
ASSI { 3766}
(( resid 76 and name HN ))
(( resid 75 and name HD2 ))
2.700 2.700 3.300 peak 3766 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 1.955 CV 1
ASSI { 3784}
(( resid 77 and name HN ))
(( resid 76 and name HN ))
3.200 1.300 1.300 peak 3784 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 8.486 CV 1
ASSI { 3785}
(( resid 77 and name HA ))
(( resid 76 and name HN ))
3.000 3.000 3.000 peak 3785 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.116 ppm2 8.486 CV 1
ASSI { 3786}
(( resid 94 and name HD% ))
(( resid 76 and name HN ))
2.700 2.700 3.300 peak 3786 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 8.486 CV 1
ASSI { 3787}
(( resid 94 and name HE% ))
(( resid 76 and name HN ))
2.700 0.900 0.900 peak 3787 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.566 ppm2 8.486 CV 1
ASSI { 3797}
(( resid 77 and name HA ))
(( resid 76 and name HA ))
3.600 1.700 1.700 peak 3797 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.116 ppm2 4.963 CV 1
ASSI { 3798}
(( resid 78 and name HN ))
(( resid 76 and name HA ))
3.600 3.600 2.400 peak 3798 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 4.963 CV 1
ASSI { 3799}
(( resid 78 and name HD1% ))
(( resid 76 and name HA ))
4.400 2.400 1.600 peak 3799 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 4.963 CV 1
ASSI { 3800}
(( resid 94 and name HD% ))
(( resid 76 and name HA ))
2.900 2.900 3.100 peak 3800 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 4.963 CV 1
ASSI { 3806}
(( resid 77 and name HN ))
(( resid 76 and name HB3 ))
3.500 1.600 1.600 peak 3806 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 2.071 CV 1
ASSI { 3807}
(( resid 77 and name HA ))
(( resid 76 and name HB3 ))
3.600 1.600 1.600 peak 3807 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.116 ppm2 2.071 CV 1
ASSI { 3809}
(( resid 78 and name HD1% ))
(( resid 76 and name HB3 ))
4.600 2.600 1.400 peak 3809 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 2.071 CV 1
ASSI { 3811}
(( resid 94 and name HA ))
(( resid 76 and name HB3 ))
3.900 1.900 1.900 peak 3811 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 2.071 CV 1
ASSI { 3812}
(( resid 94 and name HD% ))
(( resid 76 and name HB3 ))
3.200 1.300 1.300 peak 3812 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 2.071 CV 1
ASSI { 3813}
(( resid 94 and name HE% ))
(( resid 76 and name HB3 ))
3.600 1.600 1.600 peak 3813 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.566 ppm2 2.071 CV 1
ASSI { 3814}
(( resid 95 and name HN ))
(( resid 76 and name HB3 ))
3.300 1.400 1.400 peak 3814 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 2.071 CV 1
ASSI { 3815}
(( resid 95 and name HA ))
(( resid 76 and name HB3 ))
4.600 2.600 1.400 peak 3815 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.660 ppm2 2.071 CV 1
ASSI { 3816}
(( resid 95 and name HG2 ))
(( resid 76 and name HB3 ))
4.900 3.000 1.100 peak 3816 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.359 ppm2 2.071 CV 1
ASSI { 3817}
(( resid 96 and name HN ))
(( resid 76 and name HB3 ))
2.600 2.600 3.400 peak 3817 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 2.071 CV 1
ASSI { 3833}
(( resid 78 and name HN ))
(( resid 77 and name HN ))
2.900 1.100 1.100 peak 3833 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 8.726 CV 1
ASSI { 3834}
(( resid 78 and name HA ))
(( resid 77 and name HN ))
2.900 2.900 3.100 peak 3834 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 8.726 CV 1
ASSI { 3835}
(( resid 94 and name HD% ))
(( resid 77 and name HN ))
2.500 2.500 3.500 peak 3835 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 8.726 CV 1
ASSI { 3849}
(( resid 92 and name HD% ))
(( resid 77 and name HA ))
3.300 3.300 2.700 peak 3849 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 5.116 CV 1
ASSI { 3851}
(( resid 94 and name HB3 ))
(( resid 77 and name HA ))
4.300 2.300 1.700 peak 3851 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.998 ppm2 5.116 CV 1
ASSI { 3853}
(( resid 94 and name HD% ))
(( resid 77 and name HA ))
2.800 1.000 1.000 peak 3853 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 5.116 CV 1
ASSI { 3860}
(( resid 78 and name HA ))
(( resid 77 and name HG ))
4.000 2.000 2.000 peak 3860 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 1.622 CV 1
ASSI { 3861}
(( resid 92 and name HA ))
(( resid 77 and name HG ))
3.900 1.900 1.900 peak 3861 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 1.622 CV 1
ASSI { 3863}
(( resid 92 and name HB2 ))
(( resid 77 and name HG ))
5.000 3.100 1.000 peak 3863 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 1.622 CV 1
ASSI { 3864}
(( resid 92 and name HD% ))
(( resid 77 and name HG ))
3.500 1.500 1.500 peak 3864 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 1.622 CV 1
ASSI { 3865}
(( resid 92 and name HE% ))
(( resid 77 and name HG ))
2.900 2.900 3.100 peak 3865 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.619 ppm2 1.622 CV 1
ASSI { 3872}
(( resid 92 and name HB2 ))
(( resid 77 and name HD1% ))
5.700 4.000 0.300 peak 3872 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 0.588 CV 1
ASSI { 3880}
(( resid 92 and name HB2 ))
(( resid 77 and name HD2% ))
6.000 4.600 0.000 peak 3880 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 0.712 CV 1
ASSI { 3881}
(( resid 92 and name HD% ))
(( resid 77 and name HD2% ))
3.900 1.900 1.900 peak 3881 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 0.712 CV 1
ASSI { 3882}
(( resid 92 and name HE% ))
(( resid 77 and name HD2% ))
4.400 2.500 1.600 peak 3882 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.619 ppm2 0.712 CV 1
ASSI { 3896}
(( resid 92 and name HA ))
(( resid 78 and name HN ))
3.100 3.100 2.900 peak 3896 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 8.288 CV 1
ASSI { 3897}
(( resid 92 and name HB2 ))
(( resid 78 and name HN ))
3.600 1.600 1.600 peak 3897 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 8.288 CV 1
ASSI { 3902}
(( resid 94 and name HB3 ))
(( resid 78 and name HN ))
4.100 2.100 1.900 peak 3902 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.998 ppm2 8.288 CV 1
ASSI { 3903}
(( resid 94 and name HD% ))
(( resid 78 and name HN ))
2.900 2.900 3.100 peak 3903 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 8.288 CV 1
ASSI { 3919}
(( resid 79 and name HA ))
(( resid 78 and name HA ))
3.500 1.500 1.500 peak 3919 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.624 ppm2 5.041 CV 1
ASSI { 3921}
(( resid 93 and name HN ))
(( resid 78 and name HA ))
3.100 1.200 1.200 peak 3921 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 5.041 CV 1
ASSI { 3922}
(( resid 93 and name HB ))
(( resid 78 and name HA ))
4.200 2.200 1.800 peak 3922 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 5.041 CV 1
ASSI { 3933}
(( resid 79 and name HA ))
(( resid 78 and name HB ))
4.100 2.100 1.900 peak 3933 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.624 ppm2 1.908 CV 1
ASSI { 3936}
(( resid 93 and name HN ))
(( resid 78 and name HB ))
3.200 1.300 1.300 peak 3936 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 1.908 CV 1
ASSI { 3937}
(( resid 93 and name HA ))
(( resid 78 and name HB ))
4.000 2.000 2.000 peak 3937 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.332 ppm2 1.908 CV 1
ASSI { 3939}
(( resid 93 and name HG2% ))
(( resid 78 and name HB ))
5.300 3.500 0.700 peak 3939 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 1.908 CV 1
ASSI { 3940}
(( resid 94 and name HN ))
(( resid 78 and name HB ))
3.700 1.700 1.700 peak 3940 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.439 ppm2 1.908 CV 1
ASSI { 3941}
(( resid 94 and name HA ))
(( resid 78 and name HB ))
3.500 1.500 1.500 peak 3941 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 1.908 CV 1
ASSI { 3942}
(( resid 94 and name HB3 ))
(( resid 78 and name HB ))
4.800 2.800 1.200 peak 3942 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.998 ppm2 1.908 CV 1
ASSI { 3954}
(( resid 79 and name HN ))
(( resid 78 and name HG2% ))
3.600 1.600 1.600 peak 3954 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 0.928 CV 1
ASSI { 3955}
(( resid 80 and name HN ))
(( resid 78 and name HG2% ))
4.100 2.100 1.900 peak 3955 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.079 ppm2 0.928 CV 1
ASSI { 3957}
(( resid 93 and name HN ))
(( resid 78 and name HG2% ))
3.800 1.800 1.800 peak 3957 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 0.928 CV 1
ASSI { 3958}
(( resid 93 and name HB ))
(( resid 78 and name HG2% ))
4.200 2.200 1.800 peak 3958 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 0.928 CV 1
ASSI { 3959}
(( resid 93 and name HG2% ))
(( resid 78 and name HG2% ))
6.000 4.600 0.000 peak 3959 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 0.928 CV 1
ASSI { 3971}
(( resid 93 and name HG2% ))
(( resid 78 and name HD1% ))
5.800 4.200 0.200 peak 3971 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 0.886 CV 1
ASSI { 3983}
(( resid 80 and name HN ))
(( resid 79 and name HN ))
3.000 1.100 1.100 peak 3983 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.079 ppm2 9.362 CV 1
ASSI { 3986}
(( resid 93 and name HN ))
(( resid 79 and name HN ))
2.800 2.800 3.200 peak 3986 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 9.362 CV 1
ASSI { 3987}
(( resid 93 and name HB ))
(( resid 79 and name HN ))
3.800 1.800 1.800 peak 3987 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 9.362 CV 1
ASSI { 3993}
(( resid 80 and name HN ))
(( resid 79 and name HA ))
2.600 0.800 0.800 peak 3993 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.079 ppm2 5.624 CV 1
ASSI { 3996}
(( resid 91 and name HN ))
(( resid 79 and name HA ))
3.100 1.200 1.200 peak 3996 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 5.624 CV 1
ASSI { 3997}
(( resid 91 and name HA ))
(( resid 79 and name HA ))
3.400 3.400 2.600 peak 3997 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.347 ppm2 5.624 CV 1
ASSI { 3998}
(( resid 91 and name HB ))
(( resid 79 and name HA ))
3.500 1.500 1.500 peak 3998 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.031 ppm2 5.624 CV 1
ASSI { 4001}
(( resid 92 and name HB3 ))
(( resid 79 and name HA ))
4.300 2.300 1.700 peak 4001 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 5.624 CV 1
ASSI { 4002}
(( resid 92 and name HB2 ))
(( resid 79 and name HA ))
4.500 2.600 1.500 peak 4002 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 5.624 CV 1
ASSI { 4003}
(( resid 92 and name HD% ))
(( resid 79 and name HA ))
3.400 1.400 1.400 peak 4003 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 5.624 CV 1
ASSI { 4005}
(( resid 93 and name HB ))
(( resid 79 and name HA ))
3.600 1.600 1.600 peak 4005 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 5.624 CV 1
ASSI { 4025}
(( resid 81 and name HN ))
(( resid 80 and name HN ))
3.000 3.000 3.000 peak 4025 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 9.079 CV 1
ASSI { 4045}
(( resid 81 and name HA ))
(( resid 80 and name HA ))
3.600 1.600 1.600 peak 4045 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.272 ppm2 5.361 CV 1
ASSI { 4055}
(( resid 91 and name HN ))
(( resid 80 and name HB ))
3.300 1.400 1.400 peak 4055 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 2.193 CV 1
ASSI { 4059}
(( resid 93 and name HB ))
(( resid 80 and name HB ))
3.100 3.100 2.900 peak 4059 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 2.193 CV 1
ASSI { 4091}
(( resid 82 and name HN ))
(( resid 81 and name HN ))
3.000 3.000 3.000 peak 4091 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.902 ppm2 9.372 CV 1
ASSI { 4092}
(( resid 82 and name HA ))
(( resid 81 and name HN ))
3.000 3.000 3.000 peak 4092 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 9.372 CV 1
ASSI { 4102}
(( resid and name ))
(( resid 81 and name HA ))
6.000 6.000 0.000 peak 4102 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.272 CV 1
ASSI { 4114}
(( resid 83 and name HA ))
(( resid 82 and name HN ))
2.900 2.900 3.100 peak 4114 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.694 ppm2 8.902 CV 1
ASSI { 4115}
(( resid 83 and name HD1% ))
(( resid 82 and name HN ))
5.300 3.500 0.700 peak 4115 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 8.902 CV 1
ASSI { 4116}
(( resid 84 and name HN ))
(( resid 82 and name HN ))
3.000 3.000 3.000 peak 4116 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.967 ppm2 8.902 CV 1
ASSI { 4118}
(( resid and name ))
(( resid 82 and name HN ))
6.000 5.300 0.000 peak 4118 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.902 CV 1
ASSI { 4120}
(( resid 89 and name HB ))
(( resid 82 and name HN ))
3.300 1.300 1.300 peak 4120 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.983 ppm2 8.902 CV 1
ASSI { 4136}
(( resid 83 and name HD1% ))
(( resid 82 and name HA ))
6.000 4.800 0.000 peak 4136 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 5.156 CV 1
ASSI { 4137}
(( resid and name ))
(( resid 82 and name HA ))
4.700 4.700 1.300 peak 4137 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.156 CV 1
ASSI { 4143}
(( resid 83 and name HN ))
(( resid 82 and name HB3 ))
4.300 2.400 1.700 peak 4143 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.595 ppm2 1.982 CV 1
ASSI { 4144}
(( resid 83 and name HA ))
(( resid 82 and name HB3 ))
2.900 2.900 3.100 peak 4144 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.694 ppm2 1.982 CV 1
ASSI { 4145}
(( resid 83 and name HB ))
(( resid 82 and name HB3 ))
3.500 3.500 2.500 peak 4145 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.619 ppm2 1.982 CV 1
ASSI { 4146}
(( resid 84 and name HN ))
(( resid 82 and name HB3 ))
2.600 2.600 3.400 peak 4146 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.967 ppm2 1.982 CV 1
ASSI { 4147}
(( resid 84 and name HA ))
(( resid 82 and name HB3 ))
2.900 2.900 3.100 peak 4147 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.689 ppm2 1.982 CV 1
ASSI { 4159}
(( resid 84 and name HN ))
(( resid 83 and name HN ))
3.200 1.300 1.300 peak 4159 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.967 ppm2 8.595 CV 1
ASSI { 4160}
(( resid and name ))
(( resid 83 and name HN ))
4.300 4.300 1.700 peak 4160 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.595 CV 1
ASSI { 4171}
(( resid 84 and name HB3 ))
(( resid 83 and name HA ))
4.600 2.700 1.400 peak 4171 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.845 ppm2 4.694 CV 1
ASSI { 4172}
(( resid 84 and name HB2 ))
(( resid 83 and name HA ))
4.300 2.300 1.700 peak 4172 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.568 ppm2 4.694 CV 1
ASSI { 4176}
(( resid 88 and name HN ))
(( resid 83 and name HA ))
3.200 3.200 2.800 peak 4176 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.662 ppm2 4.694 CV 1
ASSI { 4179}
(( resid and name ))
(( resid 83 and name HA ))
6.000 6.000 0.000 peak 4179 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.694 CV 1
ASSI { 4180}
(( resid 89 and name HN ))
(( resid 83 and name HA ))
2.900 2.900 3.100 peak 4180 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 4.694 CV 1
ASSI { 4190}
(( resid 85 and name HN ))
(( resid 83 and name HB ))
2.700 2.700 3.300 peak 4190 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.130 ppm2 1.619 CV 1
ASSI { 4191}
(( resid 87 and name HN ))
(( resid 83 and name HB ))
2.800 2.800 3.200 peak 4191 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 1.619 CV 1
ASSI { 4215}
(( resid 84 and name HN ))
(( resid 83 and name HD1% ))
6.000 5.800 0.000 peak 4215 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.967 ppm2 0.157 CV 1
ASSI { 4216}
(( resid 88 and name HA ))
(( resid 83 and name HD1% ))
5.700 4.100 0.300 peak 4216 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 0.157 CV 1
ASSI { 4217}
(( resid 88 and name HG ))
(( resid 83 and name HD1% ))
6.000 6.000 0.000 peak 4217 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.877 ppm2 0.157 CV 1
ASSI { 4218}
(( resid and name ))
(( resid 83 and name HD1% ))
6.000 6.000 0.000 peak 4218 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 0.157 CV 1
ASSI { 4232}
(( resid 88 and name HN ))
(( resid 84 and name HN ))
2.900 2.900 3.100 peak 4232 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.662 ppm2 8.967 CV 1
ASSI { 4233}
(( resid 88 and name HA ))
(( resid 84 and name HN ))
3.300 1.300 1.300 peak 4233 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 8.967 CV 1
ASSI { 4235}
(( resid and name ))
(( resid 84 and name HN ))
6.000 6.000 0.000 peak 4235 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.967 CV 1
ASSI { 4236}
(( resid 89 and name HN ))
(( resid 84 and name HN ))
3.000 3.000 3.000 peak 4236 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 8.967 CV 1
ASSI { 4245}
(( resid 85 and name HN ))
(( resid 84 and name HA ))
2.800 1.000 1.000 peak 4245 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.130 ppm2 4.689 CV 1
ASSI { 4246}
(( resid 85 and name HA1 ))
(( resid 84 and name HA ))
4.800 2.900 1.200 peak 4246 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.027 ppm2 4.689 CV 1
ASSI { 4254}
(( resid 85 and name HN ))
(( resid 84 and name HB3 ))
3.400 1.400 1.400 peak 4254 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.130 ppm2 3.845 CV 1
ASSI { 4255}
(( resid 88 and name HA ))
(( resid 84 and name HB3 ))
2.700 2.700 3.300 peak 4255 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 3.845 CV 1
ASSI { 4259}
(( resid 89 and name HD1% ))
(( resid 84 and name HB3 ))
3.500 1.500 1.500 peak 4259 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.941 ppm2 3.845 CV 1
ASSI { 4266}
(( resid 85 and name HN ))
(( resid 84 and name HB2 ))
4.100 2.100 1.900 peak 4266 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.130 ppm2 3.568 CV 1
ASSI { 4267}
(( resid 85 and name HA2 ))
(( resid 84 and name HB2 ))
4.100 2.100 1.900 peak 4267 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.633 ppm2 3.568 CV 1
ASSI { 4268}
(( resid 86 and name HN ))
(( resid 84 and name HB2 ))
3.500 3.500 2.500 peak 4268 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.850 ppm2 3.568 CV 1
ASSI { 4269}
(( resid 87 and name HN ))
(( resid 84 and name HB2 ))
3.500 3.500 2.500 peak 4269 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 3.568 CV 1
ASSI { 4276}
(( resid 89 and name HD1% ))
(( resid 84 and name HB2 ))
3.900 1.900 1.900 peak 4276 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.941 ppm2 3.568 CV 1
ASSI { 4287}
(( resid 86 and name HN ))
(( resid 85 and name HN ))
3.700 1.700 1.700 peak 4287 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.850 ppm2 9.130 CV 1
ASSI { 4288}
(( resid 86 and name HA ))
(( resid 85 and name HN ))
2.300 2.300 3.700 peak 4288 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.910 ppm2 9.130 CV 1
ASSI { 4290}
(( resid 87 and name HN ))
(( resid 85 and name HN ))
2.300 2.300 3.700 peak 4290 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 9.130 CV 1
ASSI { 4298}
(( resid 86 and name HN ))
(( resid 85 and name HA1 ))
4.100 2.100 1.900 peak 4298 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.850 ppm2 4.027 CV 1
ASSI { 4299}
(( resid 86 and name HA ))
(( resid 85 and name HA1 ))
3.800 1.800 1.800 peak 4299 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.910 ppm2 4.027 CV 1
ASSI { 4301}
(( resid 87 and name HN ))
(( resid 85 and name HA1 ))
2.400 2.400 3.600 peak 4301 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 4.027 CV 1
ASSI { 4306}
(( resid 86 and name HN ))
(( resid 85 and name HA2 ))
2.900 1.100 1.100 peak 4306 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.850 ppm2 3.633 CV 1
ASSI { 4307}
(( resid 86 and name HA ))
(( resid 85 and name HA2 ))
3.900 1.900 1.900 peak 4307 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.910 ppm2 3.633 CV 1
ASSI { 4308}
(( resid 86 and name HB3 ))
(( resid 85 and name HA2 ))
4.400 2.400 1.600 peak 4308 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.190 ppm2 3.633 CV 1
ASSI { 4309}
(( resid 86 and name HB2 ))
(( resid 85 and name HA2 ))
4.100 2.100 1.900 peak 4309 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.988 ppm2 3.633 CV 1
ASSI { 4310}
(( resid 87 and name HN ))
(( resid 85 and name HA2 ))
3.700 1.700 1.700 peak 4310 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 3.633 CV 1
ASSI { 4321}
(( resid 87 and name HB2 ))
(( resid 86 and name HN ))
4.100 2.100 1.900 peak 4321 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.008 ppm2 8.850 CV 1
ASSI { 4340}
(( resid 87 and name HN ))
(( resid 86 and name HB3 ))
4.200 2.200 1.800 peak 4340 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 3.190 CV 1
ASSI { 4346}
(( resid 87 and name HN ))
(( resid 86 and name HB2 ))
4.100 2.100 1.900 peak 4346 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 2.988 CV 1
ASSI { 4347}
(( resid 87 and name HA ))
(( resid 86 and name HB2 ))
3.600 1.600 1.600 peak 4347 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 2.988 CV 1
ASSI { 4365}
(( resid 88 and name HN ))
(( resid 87 and name HN ))
3.000 3.000 3.000 peak 4365 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.662 ppm2 8.312 CV 1
ASSI { 4366}
(( resid 88 and name HA ))
(( resid 87 and name HN ))
2.800 2.800 3.200 peak 4366 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 8.312 CV 1
ASSI { 4392}
(( resid 88 and name HN ))
(( resid 87 and name HB2 ))
3.100 1.200 1.200 peak 4392 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.662 ppm2 2.008 CV 1
ASSI { 4393}
(( resid 88 and name HA ))
(( resid 87 and name HB2 ))
3.800 1.800 1.800 peak 4393 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 2.008 CV 1
ASSI { 4396}
(( resid 104 and name HB2 ))
(( resid 87 and name HB2 ))
5.600 3.900 0.400 peak 4396 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 2.008 CV 1
ASSI { 4397}
(( resid 104 and name HB3 ))
(( resid 87 and name HB2 ))
5.100 3.300 0.900 peak 4397 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 2.008 CV 1
ASSI { 4398}
(( resid 105 and name HN ))
(( resid 87 and name HB2 ))
4.100 2.100 1.900 peak 4398 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 2.008 CV 1
ASSI { 4407}
(( resid 104 and name HN ))
(( resid 87 and name HB3 ))
4.400 2.400 1.600 peak 4407 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 2.257 CV 1
ASSI { 4413}
(( resid 105 and name HB2 ))
(( resid 87 and name HB3 ))
5.100 3.200 0.900 peak 4413 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 2.257 CV 1
ASSI { 4414}
(( resid 105 and name HB3 ))
(( resid 87 and name HB3 ))
5.300 3.500 0.700 peak 4414 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 2.257 CV 1
ASSI { 4428}
(( resid 103 and name HB3 ))
(( resid 88 and name HN ))
3.200 1.300 1.300 peak 4428 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 8.662 CV 1
ASSI { 4431}
(( resid 104 and name HB2 ))
(( resid 88 and name HN ))
4.300 2.400 1.700 peak 4431 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 8.662 CV 1
ASSI { 4432}
(( resid 104 and name HB3 ))
(( resid 88 and name HN ))
4.200 2.200 1.800 peak 4432 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 8.662 CV 1
ASSI { 4454}
(( resid 104 and name HA ))
(( resid 88 and name HA ))
2.500 2.500 3.500 peak 4454 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 4.725 CV 1
ASSI { 4466}
(( resid 89 and name HA ))
(( resid 88 and name HG ))
4.200 2.200 1.800 peak 4466 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.566 ppm2 0.877 CV 1
ASSI { 4468}
(( resid 90 and name HN ))
(( resid 88 and name HG ))
4.200 2.200 1.800 peak 4468 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.514 ppm2 0.877 CV 1
ASSI { 4469}
(( resid 90 and name HA ))
(( resid 88 and name HG ))
4.300 2.300 1.700 peak 4469 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.798 ppm2 0.877 CV 1
ASSI { 4472}
(( resid 103 and name HB2 ))
(( resid 88 and name HG ))
4.600 2.600 1.400 peak 4472 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 0.877 CV 1
ASSI { 4506}
(( resid 103 and name HN ))
(( resid 89 and name HN ))
2.800 2.800 3.200 peak 4506 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 9.536 CV 1
ASSI { 4518}
(( resid 90 and name HB2 ))
(( resid 89 and name HA ))
4.000 2.000 2.000 peak 4518 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.215 ppm2 4.566 CV 1
ASSI { 4519}
(( resid 101 and name HN ))
(( resid 89 and name HA ))
3.200 3.200 2.800 peak 4519 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 4.566 CV 1
ASSI { 4520}
(( resid 102 and name HA ))
(( resid 89 and name HA ))
3.200 1.300 1.300 peak 4520 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 4.566 CV 1
ASSI { 4524}
(( resid 103 and name HB2 ))
(( resid 89 and name HA ))
3.500 1.600 1.600 peak 4524 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 4.566 CV 1
ASSI { 4539}
(( resid 102 and name HA ))
(( resid 89 and name HB ))
4.200 2.200 1.800 peak 4539 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 1.983 CV 1
ASSI { 4546}
(( resid 91 and name HG2% ))
(( resid 89 and name HG2% ))
5.200 3.300 0.800 peak 4546 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 1.125 CV 1
ASSI { 4550}
(( resid 102 and name HB ))
(( resid 89 and name HG2% ))
5.100 3.200 0.900 peak 4550 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.829 ppm2 1.125 CV 1
ASSI { 4551}
(( resid 103 and name HN ))
(( resid 89 and name HG2% ))
3.900 1.900 1.900 peak 4551 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 1.125 CV 1
ASSI { 4558}
(( resid 102 and name HA ))
(( resid 89 and name HD1% ))
4.600 2.700 1.400 peak 4558 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 0.941 CV 1
ASSI { 4559}
(( resid 102 and name HB ))
(( resid 89 and name HD1% ))
3.900 1.900 1.900 peak 4559 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.829 ppm2 0.941 CV 1
ASSI { 4574}
(( resid 91 and name HN ))
(( resid 90 and name HN ))
3.100 1.200 1.200 peak 4574 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 9.514 CV 1
ASSI { 4575}
(( resid 91 and name HA ))
(( resid 90 and name HN ))
2.800 2.800 3.200 peak 4575 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.347 ppm2 9.514 CV 1
ASSI { 4586}
(( resid 91 and name HA ))
(( resid 90 and name HA ))
3.500 1.500 1.500 peak 4586 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.347 ppm2 5.798 CV 1
ASSI { 4595}
(( resid 91 and name HN ))
(( resid 90 and name HB2 ))
4.100 2.100 1.900 peak 4595 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 2.215 CV 1
ASSI { 4602}
(( resid 91 and name HN ))
(( resid 90 and name HB3 ))
3.800 1.800 1.800 peak 4602 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 2.462 CV 1
ASSI { 4603}
(( resid 91 and name HA ))
(( resid 90 and name HB3 ))
3.500 1.500 1.500 peak 4603 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.347 ppm2 2.462 CV 1
ASSI { 4604}
(( resid 92 and name HN ))
(( resid 90 and name HB3 ))
3.600 3.600 2.400 peak 4604 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.004 ppm2 2.462 CV 1
ASSI { 4605}
(( resid 101 and name HN ))
(( resid 90 and name HB3 ))
3.100 3.100 2.900 peak 4605 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 2.462 CV 1
ASSI { 4621}
(( resid 92 and name HA ))
(( resid 91 and name HN ))
3.000 3.000 3.000 peak 4621 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 9.407 CV 1
ASSI { 4631}
(( resid 92 and name HN ))
(( resid 91 and name HA ))
2.700 0.900 0.900 peak 4631 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.004 ppm2 5.347 CV 1
ASSI { 4633}
(( resid 92 and name HB3 ))
(( resid 91 and name HA ))
4.900 3.000 1.100 peak 4633 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 5.347 CV 1
ASSI { 4638}
(( resid 101 and name HN ))
(( resid 91 and name HA ))
2.900 1.100 1.100 peak 4638 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 5.347 CV 1
ASSI { 4647}
(( resid 92 and name HA ))
(( resid 91 and name HB ))
3.300 1.400 1.400 peak 4647 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 4.031 CV 1
ASSI { 4651}
(( resid 98 and name HA ))
(( resid 91 and name HB ))
3.600 1.700 1.700 peak 4651 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 4.031 CV 1
ASSI { 4652}
(( resid 99 and name HN ))
(( resid 91 and name HB ))
3.000 3.000 3.000 peak 4652 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 4.031 CV 1
ASSI { 4653}
(( resid 100 and name HA ))
(( resid 91 and name HB ))
3.600 1.600 1.600 peak 4653 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 4.031 CV 1
ASSI { 4665}
(( resid 100 and name HA ))
(( resid 91 and name HG2% ))
4.100 2.100 1.900 peak 4665 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 1.142 CV 1
ASSI { 4666}
(( resid 101 and name HN ))
(( resid 91 and name HG2% ))
3.900 1.900 1.900 peak 4666 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 1.142 CV 1
ASSI { 4682}
(( resid 101 and name HN ))
(( resid 92 and name HN ))
2.000 2.000 4.000 peak 4682 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 9.004 CV 1
ASSI { 4701}
(( resid 93 and name HB ))
(( resid 92 and name HA ))
4.200 2.200 1.800 peak 4701 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 5.698 CV 1
ASSI { 4710}
(( resid 93 and name HN ))
(( resid 92 and name HB3 ))
3.400 1.500 1.500 peak 4710 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 3.216 CV 1
ASSI { 4711}
(( resid 93 and name HA ))
(( resid 92 and name HB3 ))
3.600 1.600 1.600 peak 4711 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.332 ppm2 3.216 CV 1
ASSI { 4714}
(( resid 99 and name HN ))
(( resid 92 and name HB3 ))
3.600 1.700 1.700 peak 4714 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 3.216 CV 1
ASSI { 4715}
(( resid 99 and name HB% ))
(( resid 92 and name HB3 ))
3.400 1.500 1.500 peak 4715 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.524 ppm2 3.216 CV 1
ASSI { 4716}
(( resid 100 and name HA ))
(( resid 92 and name HB3 ))
2.700 2.700 3.300 peak 4716 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 3.216 CV 1
ASSI { 4729}
(( resid 93 and name HN ))
(( resid 92 and name HB2 ))
3.800 1.800 1.800 peak 4729 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 3.011 CV 1
ASSI { 4730}
(( resid 93 and name HA ))
(( resid 92 and name HB2 ))
3.500 1.600 1.600 peak 4730 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.332 ppm2 3.011 CV 1
ASSI { 4732}
(( resid 94 and name HB2 ))
(( resid 92 and name HB2 ))
4.000 4.000 2.000 peak 4732 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.049 ppm2 3.011 CV 1
ASSI { 4733}
(( resid 99 and name HB% ))
(( resid 92 and name HB2 ))
3.900 1.900 1.900 peak 4733 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.524 ppm2 3.011 CV 1
ASSI { 4745}
(( resid 93 and name HN ))
(( resid 92 and name HD% ))
3.300 1.400 1.400 peak 4745 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 7.152 CV 1
ASSI { 4786}
(( resid 94 and name HB3 ))
(( resid 93 and name HA ))
4.100 2.100 1.900 peak 4786 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.998 ppm2 5.332 CV 1
ASSI { 4787}
(( resid 94 and name HB2 ))
(( resid 93 and name HA ))
3.900 1.900 1.900 peak 4787 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.049 ppm2 5.332 CV 1
ASSI { 4790}
(( resid 99 and name HN ))
(( resid 93 and name HA ))
3.300 1.300 1.300 peak 4790 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 5.332 CV 1
ASSI { 4806}
(( resid 94 and name HN ))
(( resid 93 and name HB ))
3.600 1.700 1.700 peak 4806 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.439 ppm2 4.030 CV 1
ASSI { 4816}
(( resid 94 and name HN ))
(( resid 93 and name HG2% ))
3.800 1.800 1.800 peak 4816 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.439 ppm2 1.141 CV 1
ASSI { 4817}
(( resid 94 and name HA ))
(( resid 93 and name HG2% ))
4.000 2.000 2.000 peak 4817 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 1.141 CV 1
ASSI { 4818}
(( resid 94 and name HB3 ))
(( resid 93 and name HG2% ))
3.500 1.500 1.500 peak 4818 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.998 ppm2 1.141 CV 1
ASSI { 4819}
(( resid 96 and name HN ))
(( resid 93 and name HG2% ))
2.900 2.900 3.100 peak 4819 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 1.141 CV 1
ASSI { 4831}
(( resid 97 and name HN ))
(( resid 94 and name HN ))
2.700 0.900 0.900 peak 4831 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 8.439 CV 1
ASSI { 4849}
(( resid 95 and name HB3 ))
(( resid 94 and name HA ))
5.500 3.800 0.500 peak 4849 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.015 ppm2 4.996 CV 1
ASSI { 4851}
(( resid 96 and name HN ))
(( resid 94 and name HA ))
3.300 1.300 1.300 peak 4851 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 4.996 CV 1
ASSI { 4852}
(( resid 97 and name HN ))
(( resid 94 and name HA ))
3.400 1.400 1.400 peak 4852 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 4.996 CV 1
ASSI { 4869}
(( resid 95 and name HN ))
(( resid 94 and name HB3 ))
3.500 1.500 1.500 peak 4869 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 2.998 CV 1
ASSI { 4870}
(( resid 95 and name HB3 ))
(( resid 94 and name HB3 ))
5.400 5.400 0.600 peak 4870 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.015 ppm2 2.998 CV 1
ASSI { 4880}
(( resid 95 and name HN ))
(( resid 94 and name HB2 ))
3.700 1.700 1.700 peak 4880 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 3.049 CV 1
ASSI { 4881}
(( resid 95 and name HB3 ))
(( resid 94 and name HB2 ))
6.000 4.500 0.000 peak 4881 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.015 ppm2 3.049 CV 1
ASSI { 4882}
(( resid 97 and name HN ))
(( resid 94 and name HB2 ))
4.100 2.100 1.900 peak 4882 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 3.049 CV 1
ASSI { 4898}
(( resid 95 and name HN ))
(( resid 94 and name HD% ))
2.400 0.700 0.700 peak 4898 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 7.331 CV 1
ASSI { 4899}
(( resid 95 and name HA ))
(( resid 94 and name HD% ))
4.100 2.100 1.900 peak 4899 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.660 ppm2 7.331 CV 1
ASSI { 4900}
(( resid 95 and name HB3 ))
(( resid 94 and name HD% ))
5.000 3.100 1.000 peak 4900 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.015 ppm2 7.331 CV 1
ASSI { 4930}
(( resid 97 and name HN ))
(( resid 95 and name HN ))
3.000 3.000 3.000 peak 4930 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 9.525 CV 1
ASSI { 4941}
(( resid 96 and name HA1 ))
(( resid 95 and name HA ))
3.800 1.800 1.800 peak 4941 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.126 ppm2 3.660 CV 1
ASSI { 4942}
(( resid 96 and name HA2 ))
(( resid 95 and name HA ))
4.100 2.100 1.900 peak 4942 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.582 ppm2 3.660 CV 1
ASSI { 4954}
(( resid 96 and name HN ))
(( resid 95 and name HB3 ))
3.900 1.900 1.900 peak 4954 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 2.015 CV 1
ASSI { 4955}
(( resid 97 and name HN ))
(( resid 95 and name HB3 ))
2.800 2.800 3.200 peak 4955 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 2.015 CV 1
ASSI { 4961}
(( resid 96 and name HN ))
(( resid 95 and name HB2 ))
3.200 1.300 1.300 peak 4961 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 1.686 CV 1
ASSI { 4962}
(( resid 96 and name HA2 ))
(( resid 95 and name HB2 ))
4.000 2.000 2.000 peak 4962 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.582 ppm2 1.686 CV 1
ASSI { 4963}
(( resid 97 and name HN ))
(( resid 95 and name HB2 ))
2.700 2.700 3.300 peak 4963 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 1.686 CV 1
ASSI { 4986}
(( resid 97 and name HN ))
(( resid 96 and name HN ))
2.700 0.900 0.900 peak 4986 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 8.580 CV 1
ASSI { 4991}
(( resid 97 and name HN ))
(( resid 96 and name HA1 ))
3.500 1.500 1.500 peak 4991 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 4.126 CV 1
ASSI { 4992}
(( resid 97 and name HA ))
(( resid 96 and name HA1 ))
3.600 1.600 1.600 peak 4992 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.293 ppm2 4.126 CV 1
ASSI { 4998}
(( resid 97 and name HN ))
(( resid 96 and name HA2 ))
3.300 1.400 1.400 peak 4998 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 3.582 CV 1
ASSI { 4999}
(( resid 97 and name HA ))
(( resid 96 and name HA2 ))
3.600 1.700 1.700 peak 4999 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.293 ppm2 3.582 CV 1
ASSI { 5015}
(( resid 98 and name HN ))
(( resid 97 and name HN ))
3.100 1.200 1.200 peak 5015 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.772 ppm2 7.870 CV 1
ASSI { 5016}
(( resid 98 and name HA ))
(( resid 97 and name HN ))
2.900 2.900 3.100 peak 5016 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 7.870 CV 1
ASSI { 5032}
(( resid 99 and name HN ))
(( resid 97 and name HB ))
2.600 2.600 3.400 peak 5032 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 2.251 CV 1
ASSI { 5047}
(( resid 99 and name HA ))
(( resid 98 and name HN ))
2.900 2.900 3.100 peak 5047 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.854 ppm2 8.772 CV 1
ASSI { 5082}
(( resid 100 and name HA ))
(( resid 99 and name HA ))
3.700 1.700 1.700 peak 5082 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 4.854 CV 1
ASSI { 5093}
(( resid 100 and name HA ))
(( resid 99 and name HB% ))
4.100 2.100 1.900 peak 5093 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 1.524 CV 1
ASSI { 5101}
(( resid 101 and name HN ))
(( resid 100 and name HN ))
3.000 3.000 3.000 peak 5101 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 8.913 CV 1
ASSI { 5102}
(( resid 101 and name HA ))
(( resid 100 and name HN ))
2.300 2.300 3.700 peak 5102 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.612 ppm2 8.913 CV 1
ASSI { 5129}
(( resid 102 and name HA ))
(( resid 101 and name HN ))
2.800 2.800 3.200 peak 5129 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 9.316 CV 1
ASSI { 5139}
(( resid 102 and name HB ))
(( resid 101 and name HA ))
4.600 2.600 1.400 peak 5139 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.829 ppm2 4.612 CV 1
ASSI { 5152}
(( resid 102 and name HN ))
(( resid 101 and name HG2 ))
3.800 1.800 1.800 peak 5152 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.502 ppm2 1.544 CV 1
ASSI { 5153}
(( resid 102 and name HA ))
(( resid 101 and name HG2 ))
3.900 1.900 1.900 peak 5153 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 1.544 CV 1
ASSI { 5154}
(( resid 102 and name HG2% ))
(( resid 101 and name HG2 ))
5.700 4.100 0.300 peak 5154 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.592 ppm2 1.544 CV 1
ASSI { 5155}
(( resid 103 and name HA ))
(( resid 101 and name HG2 ))
3.900 1.900 1.900 peak 5155 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.580 ppm2 1.544 CV 1
ASSI { 5156}
(( resid 103 and name HD% ))
(( resid 101 and name HG2 ))
3.500 1.500 1.500 peak 5156 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.173 ppm2 1.544 CV 1
ASSI { 5157}
(( resid 103 and name HE% ))
(( resid 101 and name HG2 ))
3.400 1.400 1.400 peak 5157 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.011 ppm2 1.544 CV 1
ASSI { 5162}
(( resid 103 and name HE% ))
(( resid 101 and name HD3 ))
3.400 1.400 1.400 peak 5162 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.011 ppm2 3.148 CV 1
ASSI { 5172}
(( resid 103 and name HN ))
(( resid 102 and name HN ))
3.100 3.100 2.900 peak 5172 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 8.502 CV 1
ASSI { 5186}
(( resid 103 and name HA ))
(( resid 102 and name HA ))
3.800 1.800 1.800 peak 5186 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.580 ppm2 4.781 CV 1
ASSI { 5187}
(( resid 103 and name HB2 ))
(( resid 102 and name HA ))
4.300 2.300 1.700 peak 5187 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 4.781 CV 1
ASSI { 5204}
(( resid 103 and name HN ))
(( resid 102 and name HG2% ))
4.200 2.200 1.800 peak 5204 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 1.592 CV 1
ASSI { 5205}
(( resid 103 and name HA ))
(( resid 102 and name HG2% ))
3.100 1.200 1.200 peak 5205 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.580 ppm2 1.592 CV 1
ASSI { 5210}
(( resid 103 and name HN ))
(( resid 102 and name HD1% ))
4.500 2.500 1.500 peak 5210 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 0.942 CV 1
ASSI { 5225}
(( resid 104 and name HN ))
(( resid 103 and name HN ))
3.000 3.000 3.000 peak 5225 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 9.725 CV 1
ASSI { 5226}
(( resid 104 and name HA ))
(( resid 103 and name HN ))
2.700 2.700 3.300 peak 5226 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 9.725 CV 1
ASSI { 5240}
(( resid 104 and name HB3 ))
(( resid 103 and name HA ))
4.400 2.400 1.600 peak 5240 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 4.580 CV 1
ASSI { 5254}
(( resid 104 and name HN ))
(( resid 103 and name HB2 ))
3.600 1.600 1.600 peak 5254 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 3.534 CV 1
ASSI { 5255}
(( resid 104 and name HA ))
(( resid 103 and name HB2 ))
3.400 1.500 1.500 peak 5255 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 3.534 CV 1
ASSI { 5268}
(( resid 104 and name HN ))
(( resid 103 and name HB3 ))
3.200 1.300 1.300 peak 5268 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 3.216 CV 1
ASSI { 5269}
(( resid 104 and name HA ))
(( resid 103 and name HB3 ))
3.500 1.500 1.500 peak 5269 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 3.216 CV 1
ASSI { 5279}
(( resid 104 and name HN ))
(( resid 103 and name HD% ))
3.100 1.200 1.200 peak 5279 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 7.173 CV 1
ASSI { 5306}
(( resid 105 and name HA ))
(( resid 104 and name HN ))
2.400 2.400 3.600 peak 5306 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 8.765 CV 1
ASSI { 5324}
(( resid 105 and name HB2 ))
(( resid 104 and name HA ))
4.800 2.800 1.200 peak 5324 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 5.383 CV 1
ASSI { 5333}
(( resid 105 and name HN ))
(( resid 104 and name HB2 ))
3.700 1.700 1.700 peak 5333 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 2.124 CV 1
ASSI { 5334}
(( resid 105 and name HA ))
(( resid 104 and name HB2 ))
4.000 2.000 2.000 peak 5334 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 2.124 CV 1
ASSI { 5336}
(( resid 105 and name HB3 ))
(( resid 104 and name HB2 ))
4.800 2.800 1.200 peak 5336 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 2.124 CV 1
ASSI { 5348}
(( resid 105 and name HN ))
(( resid 104 and name HB3 ))
3.300 1.300 1.300 peak 5348 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 2.124 CV 1
ASSI { 5366}
(( resid 106 and name HA ))
(( resid 105 and name HN ))
2.300 2.300 3.700 peak 5366 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.178 ppm2 8.686 CV 1
ASSI { 5383}
(( resid 106 and name HN ))
(( resid 105 and name HA ))
2.600 0.900 0.900 peak 5383 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.431 ppm2 4.012 CV 1
ASSI { 5384}
(( resid 106 and name HA ))
(( resid 105 and name HA ))
4.100 2.100 1.900 peak 5384 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.178 ppm2 4.012 CV 1
ASSI { 5410}
(( resid 106 and name HA ))
(( resid 105 and name HB3 ))
3.200 3.200 2.800 peak 5410 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.178 ppm2 1.605 CV 1
ASSI { 11}
(( resid 6 and name HN ))
(( resid 5 and name HG2% ))
5.200 3.400 0.800 peak 11 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.399 ppm2 1.213 CV 1
ASSI { 12}
(( resid 14 and name HA ))
(( resid 5 and name HG2% ))
4.300 2.300 1.700 peak 12 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 1.213 CV 1
ASSI { 27}
(( resid 3 and name HA ))
(( resid 2 and name HN ))
2.500 2.500 3.500 peak 27 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.560 ppm2 7.890 CV 1
ASSI { 1017}
(( resid and name ))
(( resid 2 and name HN ))
0.000 0.000 6.000 peak 1017 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 7.890 CV 1
ASSI { 33}
(( resid 3 and name HN ))
(( resid 2 and name HA ))
3.600 1.600 1.600 peak 33 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.895 ppm2 4.368 CV 1
ASSI { 35}
(( resid 15 and name HB ))
(( resid 2 and name HA ))
4.500 2.500 1.500 peak 35 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 4.368 CV 1
ASSI { 36}
(( resid 3 and name HN ))
(( resid 2 and name HB2 ))
3.000 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.895 ppm2 3.197 CV 1
ASSI { 1021}
(( resid 3 and name HN ))
(( resid 2 and name HB3 ))
0.000 0.000 2.200 peak 1021 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.895 ppm2 3.075 CV 1
ASSI { 37}
(( resid 15 and name HB ))
(( resid 2 and name HB3 ))
4.500 2.500 1.500 peak 37 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 3.075 CV 1
ASSI { 1023}
(( resid 15 and name HB ))
(( resid 2 and name HB2 ))
0.000 0.000 6.000 peak 1023 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 3.197 CV 1
ASSI { 38}
(( resid 15 and name HG2% ))
(( resid 2 and name HB2 ))
5.200 3.400 0.800 peak 38 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.330 ppm2 3.197 CV 1
ASSI { 1025}
(( resid 15 and name HG2% ))
(( resid 2 and name HB3 ))
0.000 0.000 6.000 peak 1025 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.330 ppm2 3.075 CV 1
ASSI { 39}
(( resid 17 and name HN ))
(( resid 2 and name HB2 ))
3.600 1.700 1.700 peak 39 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 3.197 CV 1
ASSI { 1027}
(( resid 17 and name HN ))
(( resid 2 and name HB3 ))
0.000 0.000 6.000 peak 1027 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 3.075 CV 1
ASSI { 40}
(( resid 17 and name HB3 ))
(( resid 2 and name HB2 ))
4.300 2.400 1.700 peak 40 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 3.197 CV 1
ASSI { 1029}
(( resid 17 and name HB3 ))
(( resid 2 and name HB3 ))
0.000 0.000 6.000 peak 1029 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 3.075 CV 1
ASSI { 43}
(( resid 15 and name HD1% ))
(( resid 2 and name HB3 ))
4.100 2.100 1.900 peak 43 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.898 ppm2 3.075 CV 1
ASSI { 1032}
(( resid 16 and name HA ))
(( resid 2 and name HB3 ))
0.000 0.000 6.000 peak 1032 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 3.075 CV 1
ASSI { 47}
(( resid 4 and name HN ))
(( resid 3 and name HN ))
2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 7.895 CV 1
ASSI { 48}
(( resid 15 and name HB ))
(( resid 3 and name HN ))
3.400 1.500 1.500 peak 48 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 7.895 CV 1
ASSI { 49}
(( resid 16 and name HA ))
(( resid 3 and name HN ))
3.000 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 7.895 CV 1
ASSI { 52}
(( resid 4 and name HN ))
(( resid 3 and name HA ))
3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 4.560 CV 1
ASSI { 53}
(( resid 4 and name HA2 ))
(( resid 3 and name HA ))
4.300 2.300 1.700 peak 53 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.293 ppm2 4.560 CV 1
ASSI { 1038}
(( resid 4 and name HA1 ))
(( resid 3 and name HA ))
0.000 0.000 6.000 peak 1038 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.815 ppm2 4.560 CV 1
ASSI { 54}
(( resid 14 and name HG2% ))
(( resid 3 and name HA ))
4.900 3.000 1.100 peak 54 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.278 ppm2 4.560 CV 1
ASSI { 55}
(( resid 15 and name HB ))
(( resid 3 and name HA ))
4.400 2.400 1.600 peak 55 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 4.560 CV 1
ASSI { 56}
(( resid 16 and name HN ))
(( resid 3 and name HA ))
3.600 1.600 1.600 peak 56 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.758 ppm2 4.560 CV 1
ASSI { 57}
(( resid 16 and name HB ))
(( resid 3 and name HA ))
4.400 2.400 1.600 peak 57 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.997 ppm2 4.560 CV 1
ASSI { 58}
(( resid 16 and name HG2% ))
(( resid 3 and name HA ))
6.000 6.000 0.000 peak 58 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.015 ppm2 4.560 CV 1
ASSI { 65}
(( resid 16 and name HA ))
(( resid 3 and name HA ))
3.600 1.600 1.600 peak 65 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 4.560 CV 1
ASSI { 67}
(( resid 17 and name HN ))
(( resid 3 and name HA ))
3.400 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 4.560 CV 1
ASSI { 69}
(( resid 5 and name HA ))
(( resid 4 and name HN ))
3.300 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.285 ppm2 8.671 CV 1
ASSI { 71}
(( resid 14 and name HG2% ))
(( resid 4 and name HN ))
4.400 2.400 1.600 peak 71 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.278 ppm2 8.671 CV 1
ASSI { 72}
(( resid 15 and name HN ))
(( resid 4 and name HN ))
2.800 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.467 ppm2 8.671 CV 1
ASSI { 73}
(( resid 15 and name HB ))
(( resid 4 and name HN ))
3.500 1.500 1.500 peak 73 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 8.671 CV 1
ASSI { 74}
(( resid 16 and name HA ))
(( resid 4 and name HN ))
3.400 3.400 2.600 peak 74 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 8.671 CV 1
ASSI { 75}
(( resid 5 and name HN ))
(( resid 4 and name HA2 ))
3.600 1.700 1.700 peak 75 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.331 ppm2 4.293 CV 1
ASSI { 79}
(( resid 6 and name HN ))
(( resid 5 and name HN ))
3.300 1.300 1.300 peak 79 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.399 ppm2 8.331 CV 1
ASSI { 80}
(( resid 14 and name HA ))
(( resid 5 and name HN ))
3.500 1.500 1.500 peak 80 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 8.331 CV 1
ASSI { 84}
(( resid 6 and name HN ))
(( resid 5 and name HA ))
2.900 1.000 1.000 peak 84 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.399 ppm2 5.285 CV 1
ASSI { 85}
(( resid 6 and name HA ))
(( resid 5 and name HA ))
3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.280 ppm2 5.285 CV 1
ASSI { 86}
(( resid 14 and name HN ))
(( resid 5 and name HA ))
3.300 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.065 ppm2 5.285 CV 1
ASSI { 87}
(( resid 14 and name HB ))
(( resid 5 and name HA ))
4.100 2.100 1.900 peak 87 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.087 ppm2 5.285 CV 1
ASSI { 88}
(( resid 14 and name HG2% ))
(( resid 5 and name HA ))
5.000 3.200 1.000 peak 88 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.278 ppm2 5.285 CV 1
ASSI { 89}
(( resid 15 and name HN ))
(( resid 5 and name HA ))
3.400 1.400 1.400 peak 89 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.467 ppm2 5.285 CV 1
ASSI { 1071}
(( resid 106 and name HB2 ))
(( resid 5 and name HA ))
0.000 0.000 6.000 peak 1071 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.953 ppm2 5.285 CV 1
ASSI { 92}
(( resid 6 and name HN ))
(( resid 5 and name HB ))
3.600 1.600 1.600 peak 92 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.399 ppm2 3.948 CV 1
ASSI { 93}
(( resid 14 and name HA ))
(( resid 5 and name HB ))
4.100 2.100 1.900 peak 93 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 3.948 CV 1
ASSI { 94}
(( resid 106 and name HB3 ))
(( resid 5 and name HB ))
3.900 1.900 1.900 peak 94 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.740 ppm2 3.948 CV 1
ASSI { 95}
(( resid 5 and name HG2% ))
(( resid 4 and name HA2 ))
5.700 4.100 0.300 peak 95 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 4.293 CV 1
ASSI { 1077}
(( resid 5 and name HG2% ))
(( resid 4 and name HA1 ))
0.000 0.000 6.000 peak 1077 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 3.815 CV 1
ASSI { 96}
(( resid 6 and name HN ))
(( resid 4 and name HA1 ))
4.000 2.000 2.000 peak 96 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.399 ppm2 3.815 CV 1
ASSI { 1079}
(( resid 6 and name HN ))
(( resid 4 and name HA2 ))
0.000 0.000 6.000 peak 1079 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.399 ppm2 4.293 CV 1
ASSI { 1085}
(( resid 7 and name HB3 ))
(( resid 6 and name HN ))
0.000 0.000 6.000 peak 1085 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.039 ppm2 9.399 CV 1
ASSI { 101}
(( resid 12 and name HA ))
(( resid 6 and name HN ))
3.900 1.900 1.900 peak 101 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.378 ppm2 9.399 CV 1
ASSI { 103}
(( resid 13 and name HN ))
(( resid 6 and name HN ))
2.800 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 9.399 CV 1
ASSI { 104}
(( resid 13 and name HA ))
(( resid 6 and name HN ))
3.500 1.500 1.500 peak 104 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.464 ppm2 9.399 CV 1
ASSI { 105}
(( resid and name ))
(( resid 6 and name HN ))
3.600 1.600 1.600 peak 105 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.399 CV 1
ASSI { 106}
(( resid 14 and name HN ))
(( resid 6 and name HN ))
3.100 3.100 2.900 peak 106 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.065 ppm2 9.399 CV 1
ASSI { 107}
(( resid 14 and name HA ))
(( resid 6 and name HN ))
3.500 1.500 1.500 peak 107 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 9.399 CV 1
ASSI { 109}
(( resid 105 and name HA ))
(( resid 6 and name HN ))
4.000 2.000 2.000 peak 109 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 9.399 CV 1
ASSI { 111}
(( resid 7 and name HN ))
(( resid 6 and name HA ))
2.700 0.900 0.900 peak 111 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.796 ppm2 5.280 CV 1
ASSI { 1096}
(( resid 7 and name HB3 ))
(( resid 6 and name HA ))
0.000 0.000 6.000 peak 1096 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.039 ppm2 5.280 CV 1
ASSI { 114}
(( resid and name ))
(( resid 6 and name HA ))
4.100 2.100 1.900 peak 114 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.280 CV 1
ASSI { 115}
(( resid 105 and name HN ))
(( resid 6 and name HA ))
3.800 1.800 1.800 peak 115 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 5.280 CV 1
ASSI { 116}
(( resid 105 and name HB3 ))
(( resid 6 and name HA ))
5.700 4.100 0.300 peak 116 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 5.280 CV 1
ASSI { 1100}
(( resid 105 and name HB2 ))
(( resid 6 and name HA ))
0.000 0.000 6.000 peak 1100 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 5.280 CV 1
ASSI { 117}
(( resid and name ))
(( resid 6 and name HA ))
6.000 6.000 0.000 peak 117 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.280 CV 1
ASSI { 1102}
(( resid 106 and name HG3 ))
(( resid 6 and name HA ))
0.000 0.000 6.000 peak 1102 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.187 ppm2 5.280 CV 1
ASSI { 119}
(( resid 106 and name HA ))
(( resid 6 and name HA ))
4.200 2.200 1.800 peak 119 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.178 ppm2 5.280 CV 1
ASSI { 120}
(( resid 106 and name HB3 ))
(( resid 6 and name HA ))
4.400 2.500 1.600 peak 120 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.740 ppm2 5.280 CV 1
ASSI { 1105}
(( resid 106 and name HB2 ))
(( resid 6 and name HA ))
0.000 0.000 6.000 peak 1105 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.953 ppm2 5.280 CV 1
ASSI { 125}
(( resid 105 and name HA ))
(( resid 6 and name HB3 ))
3.600 1.600 1.600 peak 125 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 2.918 CV 1
ASSI { 126}
(( resid 106 and name HB3 ))
(( resid 6 and name HB3 ))
3.800 1.800 1.800 peak 126 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.740 ppm2 2.918 CV 1
ASSI { 1109}
(( resid 106 and name HB3 ))
(( resid 6 and name HB2 ))
0.000 0.000 6.000 peak 1109 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.740 ppm2 3.236 CV 1
ASSI { 1110}
(( resid 106 and name HB2 ))
(( resid 6 and name HB3 ))
0.000 0.000 6.000 peak 1110 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.953 ppm2 2.918 CV 1
ASSI { 1111}
(( resid 106 and name HB2 ))
(( resid 6 and name HB2 ))
0.000 0.000 6.000 peak 1111 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.953 ppm2 3.236 CV 1
ASSI { 127}
(( resid 7 and name HA ))
(( resid 6 and name HB3 ))
3.700 1.700 1.700 peak 127 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.950 ppm2 2.918 CV 1
ASSI { 130}
(( resid 87 and name HA ))
(( resid 6 and name HB2 ))
4.300 2.300 1.700 peak 130 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 3.236 CV 1
ASSI { 133}
(( resid 105 and name HN ))
(( resid 6 and name HB2 ))
4.400 2.400 1.600 peak 133 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 3.236 CV 1
ASSI { 145}
(( resid 13 and name HN ))
(( resid 7 and name HN ))
2.800 2.800 3.200 peak 145 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 9.796 CV 1
ASSI { 146}
(( resid and name ))
(( resid 7 and name HN ))
3.700 3.700 2.300 peak 146 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.796 CV 1
ASSI { 147}
(( resid 104 and name HN ))
(( resid 7 and name HN ))
2.800 2.800 3.200 peak 147 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 9.796 CV 1
ASSI { 148}
(( resid 105 and name HB3 ))
(( resid 7 and name HN ))
4.700 2.800 1.300 peak 148 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 9.796 CV 1
ASSI { 149}
(( resid 105 and name HN ))
(( resid 7 and name HN ))
3.100 3.100 2.900 peak 149 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 9.796 CV 1
ASSI { 150}
(( resid 105 and name HA ))
(( resid 7 and name HN ))
3.700 1.700 1.700 peak 150 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 9.796 CV 1
ASSI { 152}
(( resid 106 and name HN ))
(( resid 7 and name HN ))
2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.431 ppm2 9.796 CV 1
ASSI { 156}
(( resid 8 and name HN ))
(( resid 7 and name HA ))
3.000 1.100 1.100 peak 156 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.699 ppm2 5.950 CV 1
ASSI { 157}
(( resid 8 and name HB ))
(( resid 7 and name HA ))
4.200 2.200 1.800 peak 157 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.402 ppm2 5.950 CV 1
ASSI { 158}
(( resid 12 and name HA ))
(( resid 7 and name HA ))
4.000 2.000 2.000 peak 158 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.378 ppm2 5.950 CV 1
ASSI { 159}
(( resid 13 and name HN ))
(( resid 7 and name HA ))
3.200 1.200 1.200 peak 159 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 5.950 CV 1
ASSI { 160}
(( resid 103 and name HB2 ))
(( resid 7 and name HA ))
4.300 2.300 1.700 peak 160 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 5.950 CV 1
ASSI { 1135}
(( resid 103 and name HB3 ))
(( resid 7 and name HA ))
0.000 0.000 6.000 peak 1135 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 5.950 CV 1
ASSI { 161}
(( resid 104 and name HN ))
(( resid 7 and name HA ))
3.000 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 5.950 CV 1
ASSI { 164}
(( resid 105 and name HA ))
(( resid 7 and name HA ))
4.000 2.000 2.000 peak 164 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 5.950 CV 1
ASSI { 171}
(( resid 8 and name HB ))
(( resid 7 and name HB3 ))
5.100 3.200 0.900 peak 171 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.402 ppm2 2.039 CV 1
ASSI { 1147}
(( resid 12 and name HA ))
(( resid 7 and name HB2 ))
0.000 0.000 2.200 peak 1147 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.378 ppm2 1.980 CV 1
ASSI { 1150}
(( resid and name ))
(( resid 7 and name HB2 ))
0.000 0.000 6.000 peak 1150 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.980 CV 1
ASSI { 1151}
(( resid and name ))
(( resid 7 and name HB3 ))
0.000 0.000 6.000 peak 1151 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 2.039 CV 1
ASSI { 1152}
(( resid 13 and name HN ))
(( resid 7 and name HG3 ))
0.000 0.000 6.000 peak 1152 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 1.536 CV 1
ASSI { 1153}
(( resid and name ))
(( resid 7 and name HG3 ))
0.000 0.000 6.000 peak 1153 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.536 CV 1
ASSI { 1154}
(( resid and name ))
(( resid 7 and name HG3 ))
0.000 0.000 6.000 peak 1154 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.536 CV 1
ASSI { 1155}
(( resid 12 and name HN ))
(( resid 7 and name HG3 ))
0.000 0.000 6.000 peak 1155 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.721 ppm2 1.536 CV 1
ASSI { 1156}
(( resid 12 and name HA ))
(( resid 7 and name HG3 ))
0.000 0.000 6.000 peak 1156 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.378 ppm2 1.536 CV 1
ASSI { 192}
(( resid 103 and name HB2 ))
(( resid 7 and name HG3 ))
3.500 3.500 2.500 peak 192 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 1.536 CV 1
ASSI { 194}
(( resid 103 and name HD% ))
(( resid 7 and name HD3 ))
3.200 3.200 2.800 peak 194 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.173 ppm2 1.779 CV 1
ASSI { 195}
(( resid 104 and name HN ))
(( resid 7 and name HG3 ))
3.300 3.300 2.700 peak 195 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 1.536 CV 1
ASSI { 206}
(( resid 12 and name HA ))
(( resid 8 and name HN ))
3.600 1.600 1.600 peak 206 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.378 ppm2 8.699 CV 1
ASSI { 207}
(( resid 104 and name HN ))
(( resid 8 and name HN ))
3.000 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 8.699 CV 1
ASSI { 209}
(( resid 104 and name HN ))
(( resid 8 and name HA ))
3.500 3.500 2.500 peak 209 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 4.436 CV 1
ASSI { 211}
(( resid 104 and name HN ))
(( resid 8 and name HB ))
3.400 1.500 1.500 peak 211 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 2.402 CV 1
ASSI { 218}
(( resid 27 and name HB2 ))
(( resid 11 and name HN ))
2.800 2.800 3.200 peak 218 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.868 ppm2 8.491 CV 1
ASSI { 221}
(( resid 12 and name HN ))
(( resid 11 and name HA ))
3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.721 ppm2 5.160 CV 1
ASSI { 222}
(( resid 27 and name HN ))
(( resid 11 and name HA ))
3.400 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.182 ppm2 5.160 CV 1
ASSI { 223}
(( resid 27 and name HA ))
(( resid 11 and name HA ))
4.300 2.300 1.700 peak 223 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.566 ppm2 5.160 CV 1
ASSI { 226}
(( resid 28 and name HA ))
(( resid 11 and name HA ))
3.400 3.400 2.600 peak 226 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.078 ppm2 5.160 CV 1
ASSI { 242}
(( resid 27 and name HN ))
(( resid 12 and name HN ))
2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.182 ppm2 8.721 CV 1
ASSI { 243}
(( resid 27 and name HB3 ))
(( resid 12 and name HN ))
4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.998 ppm2 8.721 CV 1
ASSI { 244}
(( resid 13 and name HN ))
(( resid 12 and name HA ))
2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 4.378 CV 1
ASSI { 1190}
(( resid and name ))
(( resid 12 and name HA ))
0.000 0.000 6.000 peak 1190 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.378 CV 1
ASSI { 250}
(( resid 13 and name HN ))
(( resid 12 and name HN ))
3.100 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.542 ppm2 8.721 CV 1
ASSI { 251}
(( resid 13 and name HA ))
(( resid 12 and name HN ))
3.100 3.100 2.900 peak 251 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.464 ppm2 8.721 CV 1
ASSI { 267}
(( resid 25 and name HE3 ))
(( resid 12 and name HE3 ))
3.800 1.800 1.800 peak 267 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.182 ppm2 2.690 CV 1
ASSI { 275}
(( resid 27 and name HN ))
(( resid 13 and name HA ))
3.300 1.400 1.400 peak 275 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.182 ppm2 5.464 CV 1
ASSI { 277}
(( resid 14 and name HN ))
(( resid 13 and name HA ))
2.800 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.065 ppm2 5.464 CV 1
ASSI { 278}
(( resid 14 and name HB ))
(( resid 13 and name HA ))
4.100 2.100 1.900 peak 278 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.087 ppm2 5.464 CV 1
ASSI { 280}
(( resid 15 and name HN ))
(( resid 13 and name HA ))
3.800 1.800 1.800 peak 280 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.467 ppm2 5.464 CV 1
ASSI { 281}
(( resid 25 and name HA ))
(( resid 13 and name HA ))
4.000 2.000 2.000 peak 281 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.342 ppm2 5.464 CV 1
ASSI { 284}
(( resid 26 and name HN ))
(( resid 13 and name HA ))
3.300 3.300 2.700 peak 284 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 5.464 CV 1
ASSI { 285}
(( resid 26 and name HA ))
(( resid 13 and name HA ))
3.300 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 5.464 CV 1
ASSI { 292}
(( resid 27 and name HN ))
(( resid 13 and name HG ))
4.400 2.400 1.600 peak 292 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.182 ppm2 1.219 CV 1
ASSI { 293}
(( resid 25 and name HN ))
(( resid 13 and name HG ))
4.100 2.100 1.900 peak 293 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 1.219 CV 1
ASSI { 295}
(( resid 26 and name HA ))
(( resid 13 and name HG ))
4.200 2.300 1.800 peak 295 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 1.219 CV 1
ASSI { 301}
(( resid 103 and name HB2 ))
(( resid 13 and name HG ))
5.700 4.100 0.300 peak 301 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 1.219 CV 1
ASSI { 1213}
(( resid 103 and name HB3 ))
(( resid 13 and name HG ))
0.000 0.000 6.000 peak 1213 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 1.219 CV 1
ASSI { 302}
(( resid 14 and name HN ))
(( resid 13 and name HG ))
4.700 2.700 1.300 peak 302 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.065 ppm2 1.219 CV 1
ASSI { 303}
(( resid 24 and name HA ))
(( resid 13 and name HG ))
5.000 3.100 1.000 peak 303 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 1.219 CV 1
ASSI { 308}
(( resid 15 and name HA ))
(( resid 14 and name HG2% ))
4.600 2.600 1.400 peak 308 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.014 ppm2 1.278 CV 1
ASSI { 309}
(( resid 15 and name HB ))
(( resid 14 and name HG2% ))
6.000 4.800 0.000 peak 309 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 1.278 CV 1
ASSI { 310}
(( resid 16 and name HN ))
(( resid 14 and name HG2% ))
4.300 2.300 1.700 peak 310 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.758 ppm2 1.278 CV 1
ASSI { 312}
(( resid 16 and name HB ))
(( resid 14 and name HG2% ))
3.500 1.600 1.600 peak 312 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.997 ppm2 1.278 CV 1
ASSI { 314}
(( resid 15 and name HA ))
(( resid 14 and name HN ))
3.200 1.300 1.300 peak 314 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.014 ppm2 9.065 CV 1
ASSI { 315}
(( resid 15 and name HB ))
(( resid 14 and name HN ))
4.300 2.300 1.700 peak 315 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 9.065 CV 1
ASSI { 316}
(( resid 24 and name HA ))
(( resid 14 and name HN ))
3.800 1.800 1.800 peak 316 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 9.065 CV 1
ASSI { 317}
(( resid 25 and name HA ))
(( resid 14 and name HN ))
3.900 1.900 1.900 peak 317 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.342 ppm2 9.065 CV 1
ASSI { 318}
(( resid 25 and name HN ))
(( resid 14 and name HN ))
2.700 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 9.065 CV 1
ASSI { 320}
(( resid 15 and name HN ))
(( resid 14 and name HA ))
2.800 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.467 ppm2 5.522 CV 1
ASSI { 321}
(( resid 15 and name HB ))
(( resid 14 and name HA ))
5.200 3.400 0.800 peak 321 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 5.522 CV 1
ASSI { 326}
(( resid 25 and name HA ))
(( resid 14 and name HB ))
4.600 2.700 1.400 peak 326 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.342 ppm2 4.087 CV 1
ASSI { 327}
(( resid 15 and name HN ))
(( resid 14 and name HN ))
3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.467 ppm2 9.065 CV 1
ASSI { 330}
(( resid 24 and name HA ))
(( resid 15 and name HN ))
3.800 1.800 1.800 peak 330 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 9.467 CV 1
ASSI { 331}
(( resid 25 and name HN ))
(( resid 15 and name HN ))
3.100 3.100 2.900 peak 331 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 9.467 CV 1
ASSI { 332}
(( resid 25 and name HB3 ))
(( resid 15 and name HG2% ))
4.200 2.200 1.800 peak 332 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 1.330 CV 1
ASSI { 1238}
(( resid 25 and name HB2 ))
(( resid 15 and name HG2% ))
0.000 0.000 6.000 peak 1238 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 1.330 CV 1
ASSI { 333}
(( resid 25 and name HB2 ))
(( resid 15 and name HN ))
2.800 2.800 3.200 peak 333 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 9.467 CV 1
ASSI { 335}
(( resid 16 and name HN ))
(( resid 15 and name HA ))
2.900 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.758 ppm2 5.014 CV 1
ASSI { 336}
(( resid 16 and name HB ))
(( resid 15 and name HA ))
4.200 2.200 1.800 peak 336 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.997 ppm2 5.014 CV 1
ASSI { 337}
(( resid 22 and name HA ))
(( resid 15 and name HA ))
4.500 2.600 1.500 peak 337 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 5.014 CV 1
ASSI { 338}
(( resid 23 and name HN ))
(( resid 15 and name HA ))
3.600 1.600 1.600 peak 338 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 5.014 CV 1
ASSI { 339}
(( resid 23 and name HG2% ))
(( resid 15 and name HA ))
4.500 2.500 1.500 peak 339 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.121 ppm2 5.014 CV 1
ASSI { 340}
(( resid 24 and name HA ))
(( resid 15 and name HA ))
3.400 1.500 1.500 peak 340 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 5.014 CV 1
ASSI { 341}
(( resid 25 and name HN ))
(( resid 15 and name HA ))
3.200 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 5.014 CV 1
ASSI { 345}
(( resid 16 and name HN ))
(( resid 15 and name HB ))
4.300 2.300 1.700 peak 345 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.758 ppm2 1.923 CV 1
ASSI { 347}
(( resid 24 and name HA ))
(( resid 15 and name HB ))
5.000 3.200 1.000 peak 347 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 1.923 CV 1
ASSI { 349}
(( resid 17 and name HN ))
(( resid 15 and name HG2% ))
4.500 2.500 1.500 peak 349 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 1.330 CV 1
ASSI { 350}
(( resid 17 and name HB3 ))
(( resid 15 and name HG2% ))
5.500 3.800 0.500 peak 350 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 1.330 CV 1
ASSI { 351}
(( resid 22 and name HA ))
(( resid 15 and name HG2% ))
4.600 2.700 1.400 peak 351 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 1.330 CV 1
ASSI { 353}
(( resid 24 and name HA ))
(( resid 15 and name HG2% ))
4.400 2.400 1.600 peak 353 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 1.330 CV 1
ASSI { 355}
(( resid 24 and name HG1% ))
(( resid 15 and name HB ))
4.500 2.500 1.500 peak 355 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.019 ppm2 1.923 CV 1
ASSI { 356}
(( resid 24 and name HG2% ))
(( resid 15 and name HB ))
4.600 2.600 1.400 peak 356 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 1.923 CV 1
ASSI { 358}
(( resid and name ))
(( resid 15 and name HD1% ))
6.000 6.000 0.000 peak 358 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 0.898 CV 1
ASSI { 359}
(( resid 17 and name HN ))
(( resid 16 and name HG2% ))
6.000 6.000 0.000 peak 359 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 0.015 CV 1
ASSI { 364}
(( resid 17 and name HA ))
(( resid 16 and name HN ))
3.300 1.300 1.300 peak 364 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.230 ppm2 8.758 CV 1
ASSI { 365}
(( resid 25 and name HN ))
(( resid 16 and name HN ))
2.400 2.400 3.600 peak 365 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 8.758 CV 1
ASSI { 366}
(( resid 22 and name HA ))
(( resid 16 and name HN ))
3.700 1.700 1.700 peak 366 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 8.758 CV 1
ASSI { 368}
(( resid 23 and name HB ))
(( resid 16 and name HN ))
3.500 1.500 1.500 peak 368 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.995 ppm2 8.758 CV 1
ASSI { 369}
(( resid 24 and name HA ))
(( resid 16 and name HN ))
2.400 2.400 3.600 peak 369 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 8.758 CV 1
ASSI { 371}
(( resid 17 and name HN ))
(( resid 16 and name HA ))
3.000 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 4.730 CV 1
ASSI { 376}
(( resid 17 and name HN ))
(( resid 16 and name HB ))
3.700 1.700 1.700 peak 376 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.073 ppm2 3.997 CV 1
ASSI { 381}
(( resid 22 and name HA ))
(( resid 17 and name HN ))
2.500 2.500 3.500 peak 381 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 9.073 CV 1
ASSI { 384}
(( resid 18 and name HN ))
(( resid 17 and name HA ))
3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.871 ppm2 4.230 CV 1
ASSI { 385}
(( resid 18 and name HB3 ))
(( resid 17 and name HA ))
5.300 3.500 0.700 peak 385 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 4.230 CV 1
ASSI { 386}
(( resid 21 and name HN ))
(( resid 17 and name HA ))
3.400 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 4.230 CV 1
ASSI { 388}
(( resid 22 and name HN ))
(( resid 17 and name HA ))
3.400 3.400 2.600 peak 388 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.098 ppm2 4.230 CV 1
ASSI { 389}
(( resid 16 and name HG2% ))
(( resid 17 and name HA ))
6.000 6.000 0.000 peak 389 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.015 ppm2 4.230 CV 1
ASSI { 390}
(( resid 23 and name HN ))
(( resid 17 and name HA ))
3.400 1.400 1.400 peak 390 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 4.230 CV 1
ASSI { 1277}
(( resid 18 and name HN ))
(( resid 17 and name HB3 ))
0.000 0.000 6.000 peak 1277 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.871 ppm2 1.044 CV 1
ASSI { 1278}
(( resid 18 and name HA ))
(( resid 17 and name HB3 ))
0.000 0.000 6.000 peak 1278 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.226 ppm2 1.044 CV 1
ASSI { 1279}
(( resid 19 and name HN ))
(( resid 17 and name HB3 ))
0.000 0.000 6.000 peak 1279 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.017 ppm2 1.044 CV 1
ASSI { 1281}
(( resid 20 and name HA ))
(( resid 17 and name HB3 ))
0.000 0.000 6.000 peak 1281 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.037 ppm2 1.044 CV 1
ASSI { 1282}
(( resid 21 and name HN ))
(( resid 17 and name HB3 ))
0.000 0.000 6.000 peak 1282 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 1.044 CV 1
ASSI { 1283}
(( resid 21 and name HA ))
(( resid 17 and name HB3 ))
0.000 0.000 6.000 peak 1283 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.930 ppm2 1.044 CV 1
ASSI { 399}
(( resid 22 and name HN ))
(( resid 17 and name HB3 ))
4.400 2.400 1.600 peak 399 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.098 ppm2 1.044 CV 1
ASSI { 401}
(( resid 16 and name HG2% ))
(( resid 17 and name HB3 ))
6.000 6.000 0.000 peak 401 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.015 ppm2 1.044 CV 1
ASSI { 406}
(( resid 19 and name HN ))
(( resid 18 and name HN ))
3.000 1.100 1.100 peak 406 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.017 ppm2 8.871 CV 1
ASSI { 407}
(( resid 19 and name HA2 ))
(( resid 18 and name HN ))
3.700 1.700 1.700 peak 407 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.773 ppm2 8.871 CV 1
ASSI { 408}
(( resid 20 and name HN ))
(( resid 18 and name HN ))
2.900 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.857 ppm2 8.871 CV 1
ASSI { 409}
(( resid 21 and name HN ))
(( resid 18 and name HN ))
2.900 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 8.871 CV 1
ASSI { 410}
(( resid 21 and name HA ))
(( resid 18 and name HN ))
3.600 1.600 1.600 peak 410 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.930 ppm2 8.871 CV 1
ASSI { 412}
(( resid 22 and name HA ))
(( resid 18 and name HN ))
2.500 2.500 3.500 peak 412 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 8.871 CV 1
ASSI { 414}
(( resid 19 and name HN ))
(( resid 18 and name HA ))
3.200 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.017 ppm2 4.226 CV 1
ASSI { 415}
(( resid 20 and name HN ))
(( resid 18 and name HA ))
3.700 1.800 1.800 peak 415 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.857 ppm2 4.226 CV 1
ASSI { 1299}
(( resid 21 and name HN ))
(( resid 18 and name HG3 ))
0.000 0.000 6.000 peak 1299 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 1.836 CV 1
ASSI { 424}
(( resid 20 and name HA ))
(( resid 19 and name HN ))
3.300 3.300 2.700 peak 424 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.037 ppm2 9.017 CV 1
ASSI { 1304}
(( resid 20 and name HA ))
(( resid 19 and name HA1 ))
0.000 0.000 6.000 peak 1304 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.037 ppm2 4.113 CV 1
ASSI { 435}
(( resid 18 and name HN ))
(( resid 20 and name HA ))
3.400 1.500 1.500 peak 435 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.871 ppm2 5.037 CV 1
ASSI { 436}
(( resid 21 and name HN ))
(( resid 20 and name HA ))
3.000 1.100 1.100 peak 436 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.941 ppm2 5.037 CV 1
ASSI { 456}
(( resid 22 and name HA ))
(( resid 21 and name HN ))
3.200 1.300 1.300 peak 456 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 7.941 CV 1
ASSI { 459}
(( resid 38 and name HA ))
(( resid 21 and name HN ))
3.500 1.500 1.500 peak 459 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 7.941 CV 1
ASSI { 461}
(( resid 22 and name HN ))
(( resid 21 and name HA ))
2.900 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.098 ppm2 4.930 CV 1
ASSI { 462}
(( resid 22 and name HA ))
(( resid 21 and name HA ))
4.000 2.000 2.000 peak 462 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 4.930 CV 1
ASSI { 463}
(( resid 22 and name HB2 ))
(( resid 21 and name HA ))
5.500 3.800 0.500 peak 463 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.123 ppm2 4.930 CV 1
ASSI { 468}
(( resid 38 and name HA ))
(( resid 21 and name HA ))
3.200 1.300 1.300 peak 468 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 4.930 CV 1
ASSI { 469}
(( resid 39 and name HN ))
(( resid 21 and name HA ))
3.700 1.700 1.700 peak 469 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 4.930 CV 1
ASSI { 470}
(( resid 39 and name HD1% ))
(( resid 22 and name HA ))
3.900 1.900 1.900 peak 470 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.749 ppm2 4.794 CV 1
ASSI { 475}
(( resid 39 and name HN ))
(( resid 22 and name HN ))
3.100 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 9.098 CV 1
ASSI { 477}
(( resid 37 and name HN ))
(( resid 23 and name HG2% ))
3.500 3.500 2.500 peak 477 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 1.121 CV 1
ASSI { 1328}
(( resid 25 and name HB2 ))
(( resid 23 and name HG2% ))
0.000 0.000 6.000 peak 1328 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 1.121 CV 1
ASSI { 479}
(( resid 34 and name HA ))
(( resid 23 and name HG2% ))
4.900 3.000 1.100 peak 479 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.428 ppm2 1.121 CV 1
ASSI { 481}
(( resid 35 and name HN ))
(( resid 23 and name HG2% ))
4.200 2.200 1.800 peak 481 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 1.121 CV 1
ASSI { 482}
(( resid 37 and name HE% ))
(( resid 24 and name HG1% ))
6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 1.019 CV 1
ASSI { 484}
(( resid 35 and name HN ))
(( resid 24 and name HG1% ))
4.600 2.700 1.400 peak 484 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 1.019 CV 1
ASSI { 486}
(( resid 23 and name HA ))
(( resid 24 and name HG2% ))
5.100 3.200 0.900 peak 486 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.806 ppm2 0.901 CV 1
ASSI { 487}
(( resid 25 and name HN ))
(( resid 24 and name HG2% ))
5.300 3.500 0.700 peak 487 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 0.901 CV 1
ASSI { 488}
(( resid 37 and name HE% ))
(( resid 24 and name HG2% ))
4.300 2.300 1.700 peak 488 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 0.901 CV 1
ASSI { 491}
(( resid 37 and name HN ))
(( resid 21 and name HA ))
3.500 1.500 1.500 peak 491 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 4.930 CV 1
ASSI { 494}
(( resid 38 and name HB3 ))
(( resid 21 and name HA ))
4.400 2.400 1.600 peak 494 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.910 ppm2 4.930 CV 1
ASSI { 503}
(( resid and name ))
(( resid 21 and name HA ))
4.400 2.500 1.600 peak 503 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.930 CV 1
ASSI { 514}
(( resid 37 and name HN ))
(( resid 22 and name HN ))
2.700 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 9.098 CV 1
ASSI { 515}
(( resid 38 and name HA ))
(( resid 22 and name HN ))
3.000 1.100 1.100 peak 515 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 9.098 CV 1
ASSI { 521}
(( resid 23 and name HN ))
(( resid 22 and name HA ))
3.000 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.311 ppm2 4.794 CV 1
ASSI { 526}
(( resid 37 and name HN ))
(( resid 22 and name HB2 ))
4.000 2.000 2.000 peak 526 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 1.123 CV 1
ASSI { 532}
(( resid 36 and name HA ))
(( resid 23 and name HN ))
3.700 1.700 1.700 peak 532 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 8.311 CV 1
ASSI { 533}
(( resid 36 and name HG1% ))
(( resid 23 and name HA ))
6.000 4.700 0.000 peak 533 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 4.806 CV 1
ASSI { 535}
(( resid 24 and name HN ))
(( resid 23 and name HA ))
2.800 1.000 1.000 peak 535 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.432 ppm2 4.806 CV 1
ASSI { 536}
(( resid 24 and name HA ))
(( resid 23 and name HA ))
3.900 1.900 1.900 peak 536 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 4.806 CV 1
ASSI { 537}
(( resid 24 and name HB ))
(( resid 23 and name HA ))
5.000 3.100 1.000 peak 537 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.373 ppm2 4.806 CV 1
ASSI { 539}
(( resid 35 and name HN ))
(( resid 23 and name HA ))
3.600 1.600 1.600 peak 539 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 4.806 CV 1
ASSI { 540}
(( resid 36 and name HN ))
(( resid 23 and name HA ))
3.700 1.700 1.700 peak 540 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.168 ppm2 4.806 CV 1
ASSI { 541}
(( resid 36 and name HA ))
(( resid 23 and name HA ))
3.100 1.200 1.200 peak 541 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 4.806 CV 1
ASSI { 542}
(( resid 36 and name HB ))
(( resid 23 and name HA ))
5.000 3.100 1.000 peak 542 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 4.806 CV 1
ASSI { 544}
(( resid 37 and name HN ))
(( resid 23 and name HA ))
3.500 1.500 1.500 peak 544 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 4.806 CV 1
ASSI { 547}
(( resid 24 and name HN ))
(( resid 23 and name HB ))
3.900 1.900 1.900 peak 547 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.432 ppm2 3.995 CV 1
ASSI { 548}
(( resid 36 and name HA ))
(( resid 23 and name HB ))
3.600 1.600 1.600 peak 548 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 3.995 CV 1
ASSI { 549}
(( resid 36 and name HB ))
(( resid 23 and name HB ))
4.300 2.300 1.700 peak 549 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 3.995 CV 1
ASSI { 1371}
(( resid 34 and name HB3 ))
(( resid 23 and name HA ))
0.000 0.000 6.000 peak 1371 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.560 ppm2 4.806 CV 1
ASSI { 558}
(( resid 36 and name HG1% ))
(( resid 24 and name HN ))
5.300 3.500 0.700 peak 558 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 9.432 CV 1
ASSI { 563}
(( resid 34 and name HA ))
(( resid 24 and name HN ))
3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.428 ppm2 9.432 CV 1
ASSI { 564}
(( resid 34 and name HB3 ))
(( resid 24 and name HN ))
3.900 1.900 1.900 peak 564 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.560 ppm2 9.432 CV 1
ASSI { 566}
(( resid 35 and name HN ))
(( resid 24 and name HN ))
2.600 0.900 0.900 peak 566 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 9.432 CV 1
ASSI { 567}
(( resid 35 and name HB ))
(( resid 24 and name HN ))
3.300 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.361 ppm2 9.432 CV 1
ASSI { 568}
(( resid 36 and name HA ))
(( resid 24 and name HN ))
3.600 1.700 1.700 peak 568 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 9.432 CV 1
ASSI { 569}
(( resid 36 and name HB ))
(( resid 24 and name HN ))
4.500 2.600 1.500 peak 569 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 9.432 CV 1
ASSI { 571}
(( resid 37 and name HN ))
(( resid 24 and name HN ))
3.700 1.700 1.700 peak 571 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 9.432 CV 1
ASSI { 575}
(( resid 25 and name HN ))
(( resid 24 and name HA ))
2.900 1.000 1.000 peak 575 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 5.034 CV 1
ASSI { 578}
(( resid 37 and name HE% ))
(( resid 24 and name HB ))
3.600 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 2.373 CV 1
ASSI { 581}
(( resid 25 and name HN ))
(( resid 24 and name HB ))
4.100 2.100 1.900 peak 581 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.163 ppm2 2.373 CV 1
ASSI { 582}
(( resid 26 and name HN ))
(( resid 24 and name HB ))
3.700 1.800 1.800 peak 582 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.322 ppm2 2.373 CV 1
ASSI { 583}
(( resid 35 and name HN ))
(( resid 24 and name HB ))
3.600 1.600 1.600 peak 583 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 2.373 CV 1
ASSI { 584}
(( resid 35 and name HB ))
(( resid 24 and name HB ))
4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.361 ppm2 2.373 CV 1
ASSI { 588}
(( resid 26 and name HA ))
(( resid 25 and name HA ))
4.000 2.000 2.000 peak 588 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 5.342 CV 1
ASSI { 591}
(( resid 34 and name HA ))
(( resid 25 and name HA ))
3.000 1.100 1.100 peak 591 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.428 ppm2 5.342 CV 1
ASSI { 593}
(( resid 35 and name HN ))
(( resid 25 and name HB3 ))
3.100 3.100 2.900 peak 593 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 2.074 CV 1
ASSI { 1393}
(( resid 35 and name HN ))
(( resid 25 and name HB2 ))
0.000 0.000 6.000 peak 1393 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 2.135 CV 1
ASSI { 599}
(( resid 34 and name HA ))
(( resid 26 and name HN ))
3.200 1.200 1.200 peak 599 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.428 ppm2 9.322 CV 1
ASSI { 602}
(( resid 27 and name HN ))
(( resid 26 and name HA ))
3.000 1.100 1.100 peak 602 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.182 ppm2 4.478 CV 1
ASSI { 603}
(( resid 27 and name HA ))
(( resid 26 and name HA ))
4.000 2.000 2.000 peak 603 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.566 ppm2 4.478 CV 1
ASSI { 614}
(( resid 28 and name HN ))
(( resid 27 and name HA ))
3.000 1.200 1.200 peak 614 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.675 ppm2 5.566 CV 1
ASSI { 615}
(( resid 28 and name HB2 ))
(( resid 27 and name HA ))
3.700 1.700 1.700 peak 615 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.112 ppm2 5.566 CV 1
ASSI { 616}
(( resid 32 and name HA ))
(( resid 27 and name HA ))
3.400 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 5.566 CV 1
ASSI { 617}
(( resid 32 and name HB3 ))
(( resid 27 and name HA ))
4.000 2.000 2.000 peak 617 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.776 ppm2 5.566 CV 1
ASSI { 618}
(( resid 33 and name HN ))
(( resid 27 and name HA ))
3.100 1.200 1.200 peak 618 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.802 ppm2 5.566 CV 1
ASSI { 619}
(( resid 33 and name HG2% ))
(( resid 27 and name HB3 ))
3.700 3.700 2.300 peak 619 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 3.998 CV 1
ASSI { 1410}
(( resid 33 and name HG2% ))
(( resid 27 and name HB2 ))
0.000 0.000 6.000 peak 1410 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 3.868 CV 1
ASSI { 1416}
(( resid 26 and name HA ))
(( resid 27 and name HB3 ))
0.000 0.000 6.000 peak 1416 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 3.998 CV 1
ASSI { 1418}
(( resid 32 and name HA ))
(( resid 27 and name HB2 ))
0.000 0.000 6.000 peak 1418 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 3.868 CV 1
ASSI { 624}
(( resid 26 and name HA ))
(( resid 27 and name HB2 ))
4.700 2.700 1.300 peak 624 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 3.868 CV 1
ASSI { 625}
(( resid 33 and name HN ))
(( resid 27 and name HB2 ))
2.800 2.800 3.200 peak 625 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.802 ppm2 3.868 CV 1
ASSI { 626}
(( resid 28 and name HN ))
(( resid 27 and name HB2 ))
3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.675 ppm2 3.868 CV 1
ASSI { 632}
(( resid 30 and name HN ))
(( resid 28 and name HN ))
3.200 1.300 1.300 peak 632 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.154 ppm2 8.675 CV 1
ASSI { 633}
(( resid 32 and name HA ))
(( resid 28 and name HN ))
3.100 1.200 1.200 peak 633 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 8.675 CV 1
ASSI { 637}
(( resid 29 and name HN ))
(( resid 28 and name HA ))
3.100 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.146 ppm2 5.078 CV 1
ASSI { 639}
(( resid 30 and name HN ))
(( resid 28 and name HA ))
3.600 1.600 1.600 peak 639 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.154 ppm2 5.078 CV 1
ASSI { 640}
(( resid 31 and name HN ))
(( resid 28 and name HB3 ))
3.500 1.600 1.600 peak 640 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 4.157 CV 1
ASSI { 1429}
(( resid 31 and name HN ))
(( resid 28 and name HB2 ))
0.000 0.000 6.000 peak 1429 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 4.112 CV 1
ASSI { 643}
(( resid 30 and name HN ))
(( resid 29 and name HN ))
3.000 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.154 ppm2 8.146 CV 1
ASSI { 644}
(( resid 31 and name HN ))
(( resid 29 and name HA ))
4.100 2.100 1.900 peak 644 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 4.376 CV 1
ASSI { 646}
(( resid 30 and name HN ))
(( resid 29 and name HA ))
3.400 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.154 ppm2 4.376 CV 1
ASSI { 647}
(( resid 30 and name HA ))
(( resid 29 and name HB3 ))
4.100 2.100 1.900 peak 647 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.617 ppm2 2.685 CV 1
ASSI { 652}
(( resid 30 and name HB2 ))
(( resid 29 and name HB3 ))
4.100 2.100 1.900 peak 652 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.104 ppm2 2.685 CV 1
ASSI { 1436}
(( resid 30 and name HB3 ))
(( resid 29 and name HB3 ))
0.000 0.000 6.000 peak 1436 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.360 ppm2 2.685 CV 1
ASSI { 1437}
(( resid 31 and name HN ))
(( resid 29 and name HB3 ))
0.000 0.000 6.000 peak 1437 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 2.685 CV 1
ASSI { 658}
(( resid 31 and name HN ))
(( resid 30 and name HN ))
3.000 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 8.154 CV 1
ASSI { 659}
(( resid 31 and name HA ))
(( resid 30 and name HN ))
3.600 1.600 1.600 peak 659 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.641 ppm2 8.154 CV 1
ASSI { 665}
(( resid 31 and name HN ))
(( resid 30 and name HA ))
3.400 1.500 1.500 peak 665 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.625 ppm2 4.617 CV 1
ASSI { 672}
(( resid 32 and name HA ))
(( resid 31 and name HA ))
4.100 2.100 1.900 peak 672 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 4.641 CV 1
ASSI { 676}
(( resid 32 and name HN ))
(( resid 31 and name HA ))
3.100 1.200 1.200 peak 676 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.691 ppm2 4.641 CV 1
ASSI { 1445}
(( resid 32 and name HN ))
(( resid 31 and name HB3 ))
0.000 0.000 6.000 peak 1445 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.691 ppm2 1.873 CV 1
ASSI { 1446}
(( resid 32 and name HA ))
(( resid 31 and name HB3 ))
0.000 0.000 6.000 peak 1446 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 1.873 CV 1
ASSI { 681}
(( resid 34 and name HN ))
(( resid 33 and name HG2% ))
4.300 2.300 1.700 peak 681 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.626 ppm2 1.610 CV 1
ASSI { 683}
(( resid 47 and name HA ))
(( resid 33 and name HG13 ))
3.700 3.700 2.300 peak 683 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 1.043 CV 1
ASSI { 685}
(( resid 47 and name HN ))
(( resid 33 and name HD1% ))
4.700 2.800 1.300 peak 685 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.081 ppm2 0.948 CV 1
ASSI { 688}
(( resid 37 and name HE% ))
(( resid 35 and name HG1% ))
4.100 2.100 1.900 peak 688 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 1.199 CV 1
ASSI { 693}
(( resid 37 and name HN ))
(( resid 36 and name HG1% ))
5.000 3.200 1.000 peak 693 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 1.007 CV 1
ASSI { 695}
(( resid 43 and name HE% ))
(( resid 36 and name HG1% ))
3.600 1.600 1.600 peak 695 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 1.007 CV 1
ASSI { 1455}
(( resid 57 and name HB3 ))
(( resid 37 and name HE% ))
0.000 0.000 6.000 peak 1455 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 6.254 CV 1
ASSI { 697}
(( resid 43 and name HE% ))
(( resid 37 and name HE% ))
3.600 3.600 2.400 peak 697 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 6.254 CV 1
ASSI { 703}
(( resid 33 and name HB ))
(( resid 32 and name HA ))
4.500 2.600 1.500 peak 703 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 5.619 CV 1
ASSI { 704}
(( resid 33 and name HN ))
(( resid 32 and name HA ))
3.100 1.200 1.200 peak 704 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.802 ppm2 5.619 CV 1
ASSI { 706}
(( resid 33 and name HG2% ))
(( resid 32 and name HB3 ))
3.900 1.900 1.900 peak 706 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 2.776 CV 1
ASSI { 707}
(( resid 33 and name HN ))
(( resid 32 and name HB3 ))
4.000 2.000 2.000 peak 707 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.802 ppm2 2.776 CV 1
ASSI { 709}
(( resid 34 and name HA ))
(( resid 33 and name HA ))
4.000 2.000 2.000 peak 709 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.428 ppm2 4.636 CV 1
ASSI { 710}
(( resid 34 and name HN ))
(( resid 33 and name HB ))
4.400 2.400 1.600 peak 710 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.626 ppm2 1.982 CV 1
ASSI { 715}
(( resid 35 and name HN ))
(( resid 34 and name HA ))
2.900 1.000 1.000 peak 715 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.146 ppm2 5.428 CV 1
ASSI { 716}
(( resid 35 and name HB ))
(( resid 34 and name HA ))
4.600 2.600 1.400 peak 716 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.361 ppm2 5.428 CV 1
ASSI { 717}
(( resid 35 and name HG2% ))
(( resid 34 and name HB3 ))
4.000 2.000 2.000 peak 717 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.970 ppm2 2.560 CV 1
ASSI { 1467}
(( resid 35 and name HG2% ))
(( resid 34 and name HB2 ))
0.000 0.000 6.000 peak 1467 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.970 ppm2 2.627 CV 1
ASSI { 719}
(( resid 35 and name HA ))
(( resid 34 and name HB3 ))
4.600 2.700 1.400 peak 719 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.605 ppm2 2.560 CV 1
ASSI { 720}
(( resid 36 and name HN ))
(( resid 34 and name HB3 ))
2.900 2.900 3.100 peak 720 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.168 ppm2 2.560 CV 1
ASSI { 721}
(( resid 36 and name HA ))
(( resid 34 and name HB3 ))
3.100 3.100 2.900 peak 721 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 2.560 CV 1
ASSI { 722}
(( resid 36 and name HB ))
(( resid 34 and name HB3 ))
3.700 1.700 1.700 peak 722 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 2.560 CV 1
ASSI { 723}
(( resid 36 and name HG1% ))
(( resid 35 and name HN ))
3.500 3.500 2.500 peak 723 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 9.146 CV 1
ASSI { 727}
(( resid 36 and name HA ))
(( resid 35 and name HN ))
3.300 1.400 1.400 peak 727 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 9.146 CV 1
ASSI { 729}
(( resid 37 and name HE% ))
(( resid 35 and name HA ))
2.900 2.900 3.100 peak 729 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 4.605 CV 1
ASSI { 731}
(( resid 36 and name HN ))
(( resid 35 and name HA ))
3.000 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.168 ppm2 4.605 CV 1
ASSI { 732}
(( resid 36 and name HB ))
(( resid 35 and name HA ))
5.200 3.300 0.800 peak 732 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 4.605 CV 1
ASSI { 733}
(( resid 43 and name HE% ))
(( resid 35 and name HA ))
2.800 2.800 3.200 peak 733 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 4.605 CV 1
ASSI { 737}
(( resid 36 and name HN ))
(( resid 35 and name HB ))
4.100 2.100 1.900 peak 737 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.168 ppm2 2.361 CV 1
ASSI { 739}
(( resid 43 and name HE% ))
(( resid 36 and name HN ))
2.600 2.600 3.400 peak 739 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 8.168 CV 1
ASSI { 747}
(( resid 37 and name HN ))
(( resid 36 and name HA ))
2.900 1.100 1.100 peak 747 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 5.131 CV 1
ASSI { 748}
(( resid 37 and name HA ))
(( resid 36 and name HA ))
4.000 2.000 2.000 peak 748 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.809 ppm2 5.131 CV 1
ASSI { 749}
(( resid 37 and name HB2 ))
(( resid 36 and name HA ))
5.100 3.300 0.900 peak 749 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.588 ppm2 5.131 CV 1
ASSI { 754}
(( resid 37 and name HN ))
(( resid 36 and name HB ))
4.700 2.800 1.300 peak 754 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.317 ppm2 1.965 CV 1
ASSI { 757}
(( resid 43 and name HE% ))
(( resid 37 and name HN ))
2.600 2.600 3.400 peak 757 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 8.317 CV 1
ASSI { 762}
(( resid 43 and name HE% ))
(( resid 37 and name HA ))
3.400 1.500 1.500 peak 762 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 4.809 CV 1
ASSI { 763}
(( resid 38 and name HN ))
(( resid 37 and name HA ))
3.000 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.417 ppm2 4.809 CV 1
ASSI { 764}
(( resid 38 and name HA ))
(( resid 37 and name HA ))
3.900 1.900 1.900 peak 764 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 4.809 CV 1
ASSI { 765}
(( resid 38 and name HB2 ))
(( resid 37 and name HA ))
4.800 2.800 1.200 peak 765 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.024 ppm2 4.809 CV 1
ASSI { 1495}
(( resid 38 and name HB3 ))
(( resid 37 and name HA ))
0.000 0.000 6.000 peak 1495 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.910 ppm2 4.809 CV 1
ASSI { 1501}
(( resid 38 and name HA ))
(( resid 37 and name HB3 ))
0.000 0.000 6.000 peak 1501 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 2.676 CV 1
ASSI { 1505}
(( resid 40 and name HN ))
(( resid 37 and name HB3 ))
0.000 0.000 6.000 peak 1505 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.223 ppm2 2.676 CV 1
ASSI { 1507}
(( resid 41 and name HN ))
(( resid 37 and name HB3 ))
0.000 0.000 6.000 peak 1507 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 2.676 CV 1
ASSI { 1509}
(( resid 41 and name HB ))
(( resid 37 and name HB3 ))
0.000 0.000 6.000 peak 1509 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 2.676 CV 1
ASSI { 780}
(( resid 43 and name HE% ))
(( resid 38 and name HN ))
3.200 1.300 1.300 peak 780 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 9.417 CV 1
ASSI { 784}
(( resid 40 and name HN ))
(( resid 38 and name HN ))
2.900 2.900 3.100 peak 784 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.223 ppm2 9.417 CV 1
ASSI { 785}
(( resid 41 and name HN ))
(( resid 38 and name HN ))
2.900 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 9.417 CV 1
ASSI { 786}
(( resid 41 and name HB ))
(( resid 38 and name HN ))
3.400 1.400 1.400 peak 786 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 9.417 CV 1
ASSI { 788}
(( resid 41 and name HG1% ))
(( resid 38 and name HN ))
4.400 2.400 1.600 peak 788 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 9.417 CV 1
ASSI { 794}
(( resid 39 and name HN ))
(( resid 38 and name HA ))
2.900 1.000 1.000 peak 794 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 5.359 CV 1
ASSI { 796}
(( resid 41 and name HB ))
(( resid 38 and name HB3 ))
4.800 2.800 1.200 peak 796 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 1.910 CV 1
ASSI { 802}
(( resid 59 and name HN ))
(( resid 39 and name HN ))
2.400 2.400 3.600 peak 802 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 8.826 CV 1
ASSI { 806}
(( resid 59 and name HN ))
(( resid 39 and name HA ))
3.200 1.200 1.200 peak 806 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 4.593 CV 1
ASSI { 808}
(( resid 40 and name HN ))
(( resid 39 and name HA ))
3.000 1.100 1.100 peak 808 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.223 ppm2 4.593 CV 1
ASSI { 810}
(( resid 41 and name HN ))
(( resid 39 and name HA ))
4.000 2.000 2.000 peak 810 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.877 ppm2 4.593 CV 1
ASSI { 811}
(( resid 57 and name HN ))
(( resid 39 and name HA ))
3.800 1.800 1.800 peak 811 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 4.593 CV 1
ASSI { 813}
(( resid 58 and name HA ))
(( resid 39 and name HA ))
3.900 1.900 1.900 peak 813 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 4.593 CV 1
ASSI { 830}
(( resid 59 and name HB2 ))
(( resid 40 and name HN ))
3.100 3.100 2.900 peak 830 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.301 ppm2 9.223 CV 1
ASSI { 1535}
(( resid 59 and name HB3 ))
(( resid 40 and name HN ))
0.000 0.000 6.000 peak 1535 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 9.223 CV 1
ASSI { 831}
(( resid 41 and name HB ))
(( resid 40 and name HN ))
4.000 2.000 2.000 peak 831 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 9.223 CV 1
ASSI { 833}
(( resid 57 and name HN ))
(( resid 40 and name HN ))
2.900 1.000 1.000 peak 833 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 9.223 CV 1
ASSI { 834}
(( resid 57 and name HA ))
(( resid 40 and name HN ))
3.300 3.300 2.700 peak 834 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.340 ppm2 9.223 CV 1
ASSI { 835}
(( resid 57 and name HB2 ))
(( resid 40 and name HN ))
3.400 1.400 1.400 peak 835 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 9.223 CV 1
ASSI { 836}
(( resid 58 and name HN ))
(( resid 40 and name HN ))
3.100 3.100 2.900 peak 836 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 9.223 CV 1
ASSI { 837}
(( resid 58 and name HA ))
(( resid 40 and name HN ))
3.200 1.300 1.300 peak 837 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 9.223 CV 1
ASSI { 838}
(( resid 58 and name HB ))
(( resid 40 and name HN ))
4.200 2.200 1.800 peak 838 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.282 ppm2 9.223 CV 1
ASSI { 839}
(( resid 58 and name HG2% ))
(( resid 40 and name HN ))
5.000 3.100 1.000 peak 839 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 9.223 CV 1
ASSI { 840}
(( resid 59 and name HN ))
(( resid 40 and name HA1 ))
4.100 2.100 1.900 peak 840 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 3.624 CV 1
ASSI { 1546}
(( resid 59 and name HN ))
(( resid 40 and name HA2 ))
0.000 0.000 6.000 peak 1546 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 4.348 CV 1
ASSI { 843}
(( resid 43 and name HE% ))
(( resid 41 and name HG1% ))
3.400 3.400 2.600 peak 843 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 1.216 CV 1
ASSI { 844}
(( resid 41 and name HG1% ))
(( resid 40 and name HN ))
4.800 2.900 1.200 peak 844 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 9.223 CV 1
ASSI { 846}
(( resid 43 and name HB2 ))
(( resid 41 and name HG1% ))
6.000 4.500 0.000 peak 846 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 1.216 CV 1
ASSI { 849}
(( resid 43 and name HE% ))
(( resid 40 and name HN ))
3.200 3.200 2.800 peak 849 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 9.223 CV 1
ASSI { 850}
(( resid 56 and name HA ))
(( resid 40 and name HN ))
3.900 1.900 1.900 peak 850 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 9.223 CV 1
ASSI { 851}
(( resid 57 and name HN ))
(( resid 43 and name HE% ))
2.800 1.000 1.000 peak 851 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 7.053 CV 1
ASSI { 852}
(( resid 56 and name HA ))
(( resid 43 and name HE% ))
3.200 1.300 1.300 peak 852 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 7.053 CV 1
ASSI { 854}
(( resid 55 and name HN ))
(( resid 44 and name HB% ))
3.300 3.300 2.700 peak 854 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 1.519 CV 1
ASSI { 855}
(( resid 45 and name HN ))
(( resid 44 and name HB% ))
4.500 2.500 1.500 peak 855 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.523 ppm2 1.519 CV 1
ASSI { 856}
(( resid 45 and name HA ))
(( resid 44 and name HB% ))
4.400 2.400 1.600 peak 856 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.974 ppm2 1.519 CV 1
ASSI { 857}
(( resid 54 and name HA ))
(( resid 44 and name HB% ))
5.000 3.100 1.000 peak 857 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.445 ppm2 1.519 CV 1
ASSI { 862}
(( resid 46 and name HB2 ))
(( resid 45 and name HE% ))
4.100 2.100 1.900 peak 862 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.543 ppm2 6.153 CV 1
ASSI { 863}
(( resid 47 and name HA ))
(( resid 45 and name HE% ))
3.200 1.300 1.300 peak 863 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 6.153 CV 1
ASSI { 864}
(( resid 46 and name HA ))
(( resid 45 and name HE% ))
3.700 3.700 2.300 peak 864 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.226 ppm2 6.153 CV 1
ASSI { 869}
(( resid 50 and name HN ))
(( resid 48 and name HB% ))
4.000 2.000 2.000 peak 869 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.014 ppm2 1.462 CV 1
ASSI { 870}
(( resid 49 and name HN ))
(( resid 48 and name HB% ))
4.500 2.500 1.500 peak 870 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 1.462 CV 1
ASSI { 872}
(( resid 51 and name HN ))
(( resid 48 and name HB% ))
3.100 3.100 2.900 peak 872 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 1.462 CV 1
ASSI { 873}
(( resid 77 and name HD1% ))
(( resid 53 and name HG ))
6.000 6.000 0.000 peak 873 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.588 ppm2 0.192 CV 1
ASSI { 880}
(( resid 70 and name HA ))
(( resid 53 and name HG ))
6.000 5.300 0.000 peak 880 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 0.192 CV 1
ASSI { 883}
(( resid 55 and name HN ))
(( resid 54 and name HG2% ))
4.600 2.700 1.400 peak 883 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 1.181 CV 1
ASSI { 884}
(( resid 58 and name HG2% ))
(( resid 56 and name HG2% ))
4.600 2.600 1.400 peak 884 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 1.038 CV 1
ASSI { 885}
(( resid 57 and name HN ))
(( resid 56 and name HG2% ))
4.700 2.700 1.300 peak 885 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 1.038 CV 1
ASSI { 886}
(( resid 67 and name HN ))
(( resid 56 and name HG2% ))
4.400 2.400 1.600 peak 886 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 1.038 CV 1
ASSI { 888}
(( resid 63 and name HN ))
(( resid 59 and name HE% ))
3.900 1.900 1.900 peak 888 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 1.848 CV 1
ASSI { 897}
(( resid 66 and name HN ))
(( resid 56 and name HG2% ))
4.700 2.800 1.300 peak 897 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 10.13 ppm2 1.038 CV 1
ASSI { 909}
(( resid 92 and name HD% ))
(( resid 77 and name HD1% ))
4.500 2.500 1.500 peak 909 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 0.588 CV 1
ASSI { 910}
(( resid 94 and name HA ))
(( resid 78 and name HG2% ))
3.900 1.900 1.900 peak 910 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 0.928 CV 1
ASSI { 911}
(( resid 80 and name HA ))
(( resid 78 and name HG2% ))
4.900 3.000 1.100 peak 911 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.361 ppm2 0.928 CV 1
ASSI { 922}
(( resid 87 and name HN ))
(( resid 83 and name HG2% ))
4.300 2.400 1.700 peak 922 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 0.852 CV 1
ASSI { 923}
(( resid 84 and name HN ))
(( resid 83 and name HG2% ))
4.200 2.200 1.800 peak 923 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.967 ppm2 0.852 CV 1
ASSI { 924}
(( resid 85 and name HN ))
(( resid 83 and name HG2% ))
4.500 2.500 1.500 peak 924 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.130 ppm2 0.852 CV 1
ASSI { 925}
(( resid 86 and name HA ))
(( resid 83 and name HG2% ))
4.900 3.000 1.100 peak 925 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.910 ppm2 0.852 CV 1
ASSI { 927}
(( resid 87 and name HA ))
(( resid 83 and name HG2% ))
3.600 1.600 1.600 peak 927 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 0.852 CV 1
ASSI { 928}
(( resid 88 and name HN ))
(( resid 83 and name HG2% ))
3.300 3.300 2.700 peak 928 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.662 ppm2 0.852 CV 1
ASSI { 929}
(( resid 88 and name HA ))
(( resid 83 and name HG2% ))
3.800 1.800 1.800 peak 929 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 0.852 CV 1
ASSI { 1599}
(( resid 57 and name HN ))
(( resid 40 and name HA2 ))
0.000 0.000 6.000 peak 1599 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 4.348 CV 1
ASSI { 938}
(( resid 58 and name HN ))
(( resid 40 and name HA1 ))
3.300 1.400 1.400 peak 938 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 3.624 CV 1
ASSI { 1601}
(( resid 58 and name HN ))
(( resid 40 and name HA2 ))
0.000 0.000 6.000 peak 1601 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 4.348 CV 1
ASSI { 942}
(( resid 42 and name HA ))
(( resid 41 and name HN ))
3.500 1.500 1.500 peak 942 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.870 ppm2 7.877 CV 1
ASSI { 944}
(( resid 43 and name HE% ))
(( resid 41 and name HN ))
3.100 1.200 1.200 peak 944 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 7.877 CV 1
ASSI { 945}
(( resid 56 and name HA ))
(( resid 41 and name HN ))
3.500 1.500 1.500 peak 945 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 7.877 CV 1
ASSI { 946}
(( resid 56 and name HB ))
(( resid 41 and name HN ))
3.700 1.700 1.700 peak 946 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 7.877 CV 1
ASSI { 948}
(( resid 57 and name HN ))
(( resid 41 and name HN ))
2.800 1.000 1.000 peak 948 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 7.877 CV 1
ASSI { 949}
(( resid 58 and name HA ))
(( resid 41 and name HN ))
2.500 2.500 3.500 peak 949 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 7.877 CV 1
ASSI { 950}
(( resid 58 and name HG2% ))
(( resid 41 and name HA ))
3.800 3.800 2.200 peak 950 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 4.398 CV 1
ASSI { 954}
(( resid 42 and name HN ))
(( resid 41 and name HA ))
3.100 1.200 1.200 peak 954 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.761 ppm2 4.398 CV 1
ASSI { 955}
(( resid and name ))
(( resid 41 and name HA ))
4.900 3.000 1.100 peak 955 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.398 CV 1
ASSI { 959}
(( resid 42 and name HN ))
(( resid 41 and name HB ))
4.200 2.200 1.800 peak 959 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.761 ppm2 2.378 CV 1
ASSI { 960}
(( resid 43 and name HE% ))
(( resid 42 and name HN ))
3.100 3.100 2.900 peak 960 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 8.761 CV 1
ASSI { 961}
(( resid 43 and name HN ))
(( resid 42 and name HN ))
3.400 1.400 1.400 peak 961 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.527 ppm2 8.761 CV 1
ASSI { 964}
(( resid 56 and name HA ))
(( resid 42 and name HN ))
3.400 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 8.761 CV 1
ASSI { 965}
(( resid 56 and name HB ))
(( resid 42 and name HN ))
3.300 1.400 1.400 peak 965 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 8.761 CV 1
ASSI { 967}
(( resid 57 and name HN ))
(( resid 42 and name HA ))
3.800 1.800 1.800 peak 967 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 4.870 CV 1
ASSI { 969}
(( resid 43 and name HN ))
(( resid 42 and name HA ))
3.000 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.527 ppm2 4.870 CV 1
ASSI { 972}
(( resid 43 and name HE% ))
(( resid 42 and name HA ))
3.500 1.500 1.500 peak 972 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 4.870 CV 1
ASSI { 973}
(( resid 55 and name HN ))
(( resid 42 and name HA ))
3.700 1.700 1.700 peak 973 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 4.870 CV 1
ASSI { 974}
(( resid 55 and name HA1 ))
(( resid 42 and name HA ))
3.700 1.700 1.700 peak 974 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.572 ppm2 4.870 CV 1
ASSI { 975}
(( resid 56 and name HN ))
(( resid 42 and name HA ))
3.500 1.500 1.500 peak 975 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.766 ppm2 4.870 CV 1
ASSI { 976}
(( resid 56 and name HA ))
(( resid 42 and name HA ))
3.400 1.400 1.400 peak 976 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 4.870 CV 1
ASSI { 977}
(( resid 56 and name HB ))
(( resid 42 and name HA ))
3.600 1.600 1.600 peak 977 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 4.870 CV 1
ASSI { 978}
(( resid 56 and name HG2% ))
(( resid 42 and name HA ))
5.500 3.800 0.500 peak 978 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.038 ppm2 4.870 CV 1
ASSI { 985}
(( resid 56 and name HB ))
(( resid 43 and name HN ))
4.000 2.000 2.000 peak 985 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 9.527 CV 1
ASSI { 989}
(( resid 44 and name HA ))
(( resid 43 and name HN ))
3.300 1.400 1.400 peak 989 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.234 ppm2 9.527 CV 1
ASSI { 990}
(( resid 54 and name HA ))
(( resid 43 and name HN ))
3.400 1.400 1.400 peak 990 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.445 ppm2 9.527 CV 1
ASSI { 991}
(( resid 55 and name HN ))
(( resid 43 and name HN ))
2.800 1.000 1.000 peak 991 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 9.527 CV 1
ASSI { 992}
(( resid 55 and name HA1 ))
(( resid 43 and name HN ))
3.300 1.300 1.300 peak 992 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.572 ppm2 9.527 CV 1
ASSI { 993}
(( resid 56 and name HN ))
(( resid 43 and name HN ))
3.300 3.300 2.700 peak 993 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.766 ppm2 9.527 CV 1
ASSI { 994}
(( resid 56 and name HA ))
(( resid 43 and name HN ))
3.600 1.600 1.600 peak 994 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 9.527 CV 1
ASSI { 998}
(( resid 44 and name HN ))
(( resid 43 and name HA ))
3.100 1.200 1.200 peak 998 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.155 ppm2 5.117 CV 1
ASSI { 999}
(( resid 44 and name HA ))
(( resid 43 and name HB3 ))
2.900 2.900 3.100 peak 999 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.234 ppm2 3.423 CV 1
ASSI { 1001}
(( resid 44 and name HN ))
(( resid 43 and name HB3 ))
4.300 2.300 1.700 peak 1001 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.155 ppm2 3.423 CV 1
ASSI { 1005}
(( resid 45 and name HN ))
(( resid 44 and name HN ))
3.500 1.500 1.500 peak 1005 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.523 ppm2 8.155 CV 1
ASSI { 1007}
(( resid 45 and name HB2 ))
(( resid 44 and name HN ))
3.500 1.500 1.500 peak 1007 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.630 ppm2 8.155 CV 1
ASSI { 1008}
(( resid 54 and name HA ))
(( resid 44 and name HA ))
3.100 1.200 1.200 peak 1008 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.445 ppm2 5.234 CV 1
ASSI { 1010}
(( resid 45 and name HN ))
(( resid 44 and name HA ))
3.000 1.100 1.100 peak 1010 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.523 ppm2 5.234 CV 1
ASSI { 1012}
(( resid 54 and name HN ))
(( resid 44 and name HA ))
3.500 1.500 1.500 peak 1012 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.557 ppm2 5.234 CV 1
ASSI { 1014}
(( resid 54 and name HB ))
(( resid 44 and name HA ))
4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.140 ppm2 5.234 CV 1
ASSI { 1016}
(( resid 54 and name HG2% ))
(( resid 44 and name HA ))
4.500 2.500 1.500 peak 1016 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.181 ppm2 5.234 CV 1
ASSI { 1020}
(( resid 46 and name HN ))
(( resid 45 and name HN ))
3.400 1.400 1.400 peak 1020 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.645 ppm2 8.523 CV 1
ASSI { 1023}
(( resid 53 and name HN ))
(( resid 45 and name HN ))
2.900 1.000 1.000 peak 1023 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.775 ppm2 8.523 CV 1
ASSI { 1024}
(( resid 53 and name HB3 ))
(( resid 45 and name HN ))
4.600 2.600 1.400 peak 1024 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 8.523 CV 1
ASSI { 1026}
(( resid 54 and name HA ))
(( resid 45 and name HN ))
3.600 1.600 1.600 peak 1026 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.445 ppm2 8.523 CV 1
ASSI { 1031}
(( resid 46 and name HN ))
(( resid 45 and name HA ))
3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.645 ppm2 4.974 CV 1
ASSI { 1032}
(( resid 46 and name HA ))
(( resid 45 and name HA ))
3.900 1.900 1.900 peak 1032 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.226 ppm2 4.974 CV 1
ASSI { 1033}
(( resid 46 and name HB2 ))
(( resid 45 and name HB3 ))
4.800 2.900 1.200 peak 1033 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.543 ppm2 2.950 CV 1
ASSI { 1662}
(( resid 46 and name HB3 ))
(( resid 45 and name HB3 ))
0.000 0.000 6.000 peak 1662 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 2.950 CV 1
ASSI { 1038}
(( resid 46 and name HA ))
(( resid 45 and name HB3 ))
3.800 1.800 1.800 peak 1038 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.226 ppm2 2.950 CV 1
ASSI { 1039}
(( resid 47 and name HN ))
(( resid 45 and name HB3 ))
3.600 3.600 2.400 peak 1039 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.081 ppm2 2.950 CV 1
ASSI { 1045}
(( resid 47 and name HN ))
(( resid 46 and name HN ))
3.600 1.600 1.600 peak 1045 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.081 ppm2 7.645 CV 1
ASSI { 1048}
(( resid 52 and name HA ))
(( resid 46 and name HA ))
3.400 1.400 1.400 peak 1048 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 5.226 CV 1
ASSI { 1050}
(( resid 47 and name HN ))
(( resid 46 and name HA ))
3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.081 ppm2 5.226 CV 1
ASSI { 1051}
(( resid 47 and name HA ))
(( resid 46 and name HA ))
4.100 2.100 1.900 peak 1051 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 5.226 CV 1
ASSI { 1054}
(( resid 49 and name HN ))
(( resid 46 and name HA ))
3.700 1.700 1.700 peak 1054 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 5.226 CV 1
ASSI { 1055}
(( resid 52 and name HN ))
(( resid 46 and name HA ))
3.300 1.400 1.400 peak 1055 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.294 ppm2 5.226 CV 1
ASSI { 1056}
(( resid and name ))
(( resid 46 and name HA ))
4.400 2.400 1.600 peak 1056 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.226 CV 1
ASSI { 1680}
(( resid 49 and name HA ))
(( resid 46 and name HB3 ))
0.000 0.000 6.000 peak 1680 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.440 ppm2 3.637 CV 1
ASSI { 1063}
(( resid 47 and name HA ))
(( resid 46 and name HB2 ))
4.500 2.500 1.500 peak 1063 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 3.543 CV 1
ASSI { 1682}
(( resid 47 and name HA ))
(( resid 46 and name HB3 ))
0.000 0.000 6.000 peak 1682 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 3.637 CV 1
ASSI { 1064}
(( resid 49 and name HN ))
(( resid 46 and name HB2 ))
4.200 2.200 1.800 peak 1064 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 3.543 CV 1
ASSI { 1684}
(( resid 49 and name HN ))
(( resid 46 and name HB3 ))
0.000 0.000 6.000 peak 1684 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 3.637 CV 1
ASSI { 1070}
(( resid 52 and name HA ))
(( resid 47 and name HN ))
3.700 1.700 1.700 peak 1070 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 8.081 CV 1
ASSI { 1073}
(( resid 49 and name HN ))
(( resid 47 and name HN ))
3.100 1.200 1.200 peak 1073 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 8.081 CV 1
ASSI { 1074}
(( resid 51 and name HN ))
(( resid 47 and name HN ))
3.000 1.100 1.100 peak 1074 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 8.081 CV 1
ASSI { 1077}
(( resid 48 and name HN ))
(( resid 47 and name HA ))
3.100 1.200 1.200 peak 1077 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.398 ppm2 4.316 CV 1
ASSI { 1078}
(( resid 49 and name HN ))
(( resid 47 and name HA ))
3.600 1.600 1.600 peak 1078 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 4.316 CV 1
ASSI { 1082}
(( resid 46 and name HB2 ))
(( resid 47 and name HN ))
4.300 2.300 1.700 peak 1082 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.543 ppm2 8.081 CV 1
ASSI { 1083}
(( resid 48 and name HN ))
(( resid 47 and name HN ))
3.500 1.600 1.600 peak 1083 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.398 ppm2 8.081 CV 1
ASSI { 1084}
(( resid 51 and name HB ))
(( resid 47 and name HN ))
3.800 1.800 1.800 peak 1084 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.994 ppm2 8.081 CV 1
ASSI { 1086}
(( resid and name ))
(( resid 47 and name HA ))
4.400 2.400 1.600 peak 1086 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.316 CV 1
ASSI { 1091}
(( resid 49 and name HN ))
(( resid 48 and name HA ))
3.500 1.500 1.500 peak 1091 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.392 ppm2 3.946 CV 1
ASSI { 1092}
(( resid 51 and name HG2% ))
(( resid 49 and name HN ))
3.600 3.600 2.400 peak 1092 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 7.392 CV 1
ASSI { 1093}
(( resid 50 and name HN ))
(( resid 49 and name HN ))
3.000 1.100 1.100 peak 1093 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.014 ppm2 7.392 CV 1
ASSI { 1094}
(( resid 51 and name HN ))
(( resid 49 and name HA ))
3.600 1.600 1.600 peak 1094 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 4.440 CV 1
ASSI { 1095}
(( resid 50 and name HN ))
(( resid 49 and name HA ))
3.300 1.400 1.400 peak 1095 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.014 ppm2 4.440 CV 1
ASSI { 1096}
(( resid 51 and name HN ))
(( resid 49 and name HB2 ))
3.100 3.100 2.900 peak 1096 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 2.527 CV 1
ASSI { 1702}
(( resid 51 and name HN ))
(( resid 49 and name HB3 ))
0.000 0.000 6.000 peak 1702 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.823 ppm2 3.079 CV 1
ASSI { 1099}
(( resid 51 and name HA ))
(( resid 50 and name HN ))
4.100 2.100 1.900 peak 1099 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.782 ppm2 8.014 CV 1
ASSI { 1100}
(( resid 51 and name HG2% ))
(( resid 50 and name HA2 ))
4.500 2.600 1.500 peak 1100 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 4.403 CV 1
ASSI { 1106}
(( resid 52 and name HN ))
(( resid 51 and name HN ))
3.400 1.400 1.400 peak 1106 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.294 ppm2 7.823 CV 1
ASSI { 1112}
(( resid 52 and name HN ))
(( resid 51 and name HA ))
3.300 1.300 1.300 peak 1112 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.294 ppm2 3.782 CV 1
ASSI { 1113}
(( resid 52 and name HA ))
(( resid 51 and name HA ))
4.300 2.300 1.700 peak 1113 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 3.782 CV 1
ASSI { 1114}
(( resid 53 and name HN ))
(( resid 51 and name HA ))
4.000 2.000 2.000 peak 1114 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.775 ppm2 3.782 CV 1
ASSI { 1116}
(( resid 70 and name HA ))
(( resid 51 and name HA ))
4.500 2.500 1.500 peak 1116 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 3.782 CV 1
ASSI { 1119}
(( resid 72 and name HN ))
(( resid 51 and name HA ))
3.700 1.700 1.700 peak 1119 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 3.782 CV 1
ASSI { 1120}
(( resid 72 and name HB2 ))
(( resid 51 and name HB ))
5.500 3.700 0.500 peak 1120 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 1.994 CV 1
ASSI { 1720}
(( resid 72 and name HB3 ))
(( resid 51 and name HB ))
0.000 0.000 6.000 peak 1720 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 1.994 CV 1
ASSI { 1123}
(( resid 52 and name HN ))
(( resid 51 and name HB ))
3.400 1.500 1.500 peak 1123 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.294 ppm2 1.994 CV 1
ASSI { 1124}
(( resid 52 and name HA ))
(( resid 51 and name HB ))
4.600 2.700 1.400 peak 1124 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 1.994 CV 1
ASSI { 1125}
(( resid 53 and name HG ))
(( resid 51 and name HB ))
6.000 6.000 0.000 peak 1125 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.192 ppm2 1.994 CV 1
ASSI { 1127}
(( resid 70 and name HA ))
(( resid 51 and name HB ))
4.500 2.500 1.500 peak 1127 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 1.994 CV 1
ASSI { 1130}
(( resid and name ))
(( resid 51 and name HG2% ))
5.100 3.300 0.900 peak 1130 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 0.965 CV 1
ASSI { 1133}
(( resid 53 and name HN ))
(( resid 51 and name HB ))
4.000 2.000 2.000 peak 1133 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.775 ppm2 1.994 CV 1
ASSI { 1135}
(( resid and name ))
(( resid 51 and name HN ))
4.000 4.000 2.000 peak 1135 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 7.823 CV 1
ASSI { 1136}
(( resid 53 and name HG ))
(( resid 52 and name HN ))
5.800 4.100 0.200 peak 1136 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.192 ppm2 8.294 CV 1
ASSI { 1138}
(( resid 53 and name HA ))
(( resid 52 and name HN ))
3.200 1.300 1.300 peak 1138 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.327 ppm2 8.294 CV 1
ASSI { 1139}
(( resid 53 and name HB3 ))
(( resid 52 and name HN ))
4.600 2.600 1.400 peak 1139 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 8.294 CV 1
ASSI { 1143}
(( resid 70 and name HA ))
(( resid 52 and name HN ))
3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 8.294 CV 1
ASSI { 1146}
(( resid 71 and name HN ))
(( resid 52 and name HN ))
3.100 3.100 2.900 peak 1146 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.277 ppm2 8.294 CV 1
ASSI { 1147}
(( resid 72 and name HN ))
(( resid 52 and name HN ))
2.900 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 8.294 CV 1
ASSI { 1148}
(( resid 72 and name HB2 ))
(( resid 52 and name HA ))
5.000 3.200 1.000 peak 1148 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 4.467 CV 1
ASSI { 1735}
(( resid 72 and name HB3 ))
(( resid 52 and name HA ))
0.000 0.000 6.000 peak 1735 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 4.467 CV 1
ASSI { 1150}
(( resid 53 and name HN ))
(( resid 52 and name HA ))
3.100 1.200 1.200 peak 1150 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.775 ppm2 4.467 CV 1
ASSI { 1737}
(( resid 53 and name HB3 ))
(( resid 52 and name HA ))
0.000 0.000 6.000 peak 1737 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 4.467 CV 1
ASSI { 1153}
(( resid 53 and name HN ))
(( resid 52 and name HN ))
2.900 1.000 1.000 peak 1153 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.775 ppm2 8.294 CV 1
ASSI { 1160}
(( resid 72 and name HN ))
(( resid 52 and name HG3 ))
3.600 1.700 1.700 peak 1160 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 2.368 CV 1
ASSI { 1744}
(( resid 53 and name HA ))
(( resid 52 and name HG3 ))
0.000 0.000 6.000 peak 1744 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.327 ppm2 2.368 CV 1
ASSI { 1164}
(( resid 54 and name HN ))
(( resid 53 and name HN ))
3.300 1.400 1.400 peak 1164 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.557 ppm2 8.775 CV 1
ASSI { 1165}
(( resid 70 and name HA ))
(( resid 53 and name HN ))
3.300 1.400 1.400 peak 1165 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 8.775 CV 1
ASSI { 1171}
(( resid 54 and name HN ))
(( resid 53 and name HA ))
2.800 1.000 1.000 peak 1171 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.557 ppm2 5.327 CV 1
ASSI { 1172}
(( resid 54 and name HA ))
(( resid 53 and name HA ))
3.800 1.800 1.800 peak 1172 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.445 ppm2 5.327 CV 1
ASSI { 1173}
(( resid 54 and name HB ))
(( resid 53 and name HA ))
4.100 2.100 1.900 peak 1173 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.140 ppm2 5.327 CV 1
ASSI { 1175}
(( resid 68 and name HA ))
(( resid 53 and name HA ))
4.400 2.500 1.600 peak 1175 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 5.327 CV 1
ASSI { 1177}
(( resid 69 and name HN ))
(( resid 53 and name HA ))
3.300 1.400 1.400 peak 1177 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 5.327 CV 1
ASSI { 1178}
(( resid 69 and name HA ))
(( resid 53 and name HA ))
3.700 1.700 1.700 peak 1178 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 5.327 CV 1
ASSI { 1179}
(( resid and name ))
(( resid 53 and name HA ))
4.900 3.100 1.100 peak 1179 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.327 CV 1
ASSI { 1180}
(( resid 70 and name HN ))
(( resid 53 and name HA ))
3.100 1.200 1.200 peak 1180 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.962 ppm2 5.327 CV 1
ASSI { 1181}
(( resid 70 and name HA ))
(( resid 53 and name HA ))
3.300 1.400 1.400 peak 1181 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 5.327 CV 1
ASSI { 1183}
(( resid 71 and name HN ))
(( resid 53 and name HB3 ))
4.600 2.600 1.400 peak 1183 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.277 ppm2 1.213 CV 1
ASSI { 1187}
(( resid 54 and name HN ))
(( resid 53 and name HB3 ))
4.000 2.000 2.000 peak 1187 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.557 ppm2 1.213 CV 1
ASSI { 1188}
(( resid 68 and name HB3 ))
(( resid 53 and name HB3 ))
4.300 2.400 1.700 peak 1188 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 1.213 CV 1
ASSI { 1761}
(( resid 68 and name HB2 ))
(( resid 53 and name HB3 ))
0.000 0.000 6.000 peak 1761 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 1.213 CV 1
ASSI { 1189}
(( resid 69 and name HN ))
(( resid 53 and name HB3 ))
3.900 1.900 1.900 peak 1189 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 1.213 CV 1
ASSI { 1190}
(( resid 69 and name HN ))
(( resid 53 and name HG ))
5.900 4.400 0.100 peak 1190 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 0.192 CV 1
ASSI { 1193}
(( resid 54 and name HN ))
(( resid 53 and name HG ))
6.000 5.100 0.000 peak 1193 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.557 ppm2 0.192 CV 1
ASSI { 1194}
(( resid 68 and name HA ))
(( resid 53 and name HG ))
6.000 5.900 0.000 peak 1194 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 0.192 CV 1
ASSI { 1197}
(( resid 69 and name HA ))
(( resid 53 and name HG ))
6.000 5.400 0.000 peak 1197 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 0.192 CV 1
ASSI { 1198}
(( resid 70 and name HN ))
(( resid 53 and name HG ))
5.700 4.100 0.300 peak 1198 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.962 ppm2 0.192 CV 1
ASSI { 1200}
(( resid 77 and name HN ))
(( resid 53 and name HG ))
6.000 4.600 0.000 peak 1200 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 0.192 CV 1
ASSI { 1204}
(( resid 69 and name HN ))
(( resid 54 and name HN ))
2.400 0.700 0.700 peak 1204 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 8.557 CV 1
ASSI { 1206}
(( resid 55 and name HN ))
(( resid 54 and name HN ))
3.100 1.200 1.200 peak 1206 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 8.557 CV 1
ASSI { 1208}
(( resid 68 and name HA ))
(( resid 54 and name HN ))
3.700 1.700 1.700 peak 1208 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 8.557 CV 1
ASSI { 1211}
(( resid 69 and name HA ))
(( resid 54 and name HN ))
3.600 1.600 1.600 peak 1211 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 8.557 CV 1
ASSI { 1212}
(( resid and name ))
(( resid 54 and name HN ))
4.300 2.300 1.700 peak 1212 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.557 CV 1
ASSI { 1215}
(( resid 69 and name HN ))
(( resid 54 and name HA ))
3.600 1.600 1.600 peak 1215 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 5.445 CV 1
ASSI { 1217}
(( resid 55 and name HN ))
(( resid 54 and name HA ))
2.900 1.100 1.100 peak 1217 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 5.445 CV 1
ASSI { 1218}
(( resid 55 and name HA2 ))
(( resid 54 and name HA ))
4.300 2.300 1.700 peak 1218 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.963 ppm2 5.445 CV 1
ASSI { 1219}
(( resid 68 and name HA ))
(( resid 54 and name HA ))
3.900 1.900 1.900 peak 1219 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 5.445 CV 1
ASSI { 1220}
(( resid 69 and name HN ))
(( resid 54 and name HB ))
3.700 1.700 1.700 peak 1220 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.206 ppm2 4.140 CV 1
ASSI { 1221}
(( resid 55 and name HN ))
(( resid 54 and name HB ))
3.800 1.800 1.800 peak 1221 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.671 ppm2 4.140 CV 1
ASSI { 1222}
(( resid 55 and name HA1 ))
(( resid 54 and name HB ))
3.700 1.800 1.800 peak 1222 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.572 ppm2 4.140 CV 1
ASSI { 1223}
(( resid 68 and name HA ))
(( resid 54 and name HB ))
4.000 2.000 2.000 peak 1223 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 4.140 CV 1
ASSI { 1225}
(( resid and name ))
(( resid 54 and name HA ))
3.500 3.500 2.500 peak 1225 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.445 CV 1
ASSI { 1227}
(( resid 56 and name HN ))
(( resid 55 and name HN ))
3.600 1.600 1.600 peak 1227 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.766 ppm2 8.671 CV 1
ASSI { 1230}
(( resid 68 and name HA ))
(( resid 55 and name HN ))
3.400 1.500 1.500 peak 1230 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 8.671 CV 1
ASSI { 1795}
(( resid 68 and name HB2 ))
(( resid 55 and name HA1 ))
0.000 0.000 6.000 peak 1795 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 4.572 CV 1
ASSI { 1238}
(( resid 68 and name HB3 ))
(( resid 55 and name HA2 ))
4.600 2.600 1.400 peak 1238 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 3.963 CV 1
ASSI { 1239}
(( resid and name ))
(( resid 55 and name HA1 ))
3.600 3.600 2.400 peak 1239 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.572 CV 1
ASSI { 1811}
(( resid and name ))
(( resid 55 and name HA2 ))
0.000 0.000 6.000 peak 1811 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 3.963 CV 1
ASSI { 1245}
(( resid 66 and name HA1 ))
(( resid 56 and name HN ))
3.800 1.800 1.800 peak 1245 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 6.766 CV 1
ASSI { 1246}
(( resid 67 and name HN ))
(( resid 56 and name HN ))
3.000 1.200 1.200 peak 1246 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 6.766 CV 1
ASSI { 1248}
(( resid 67 and name HB2 ))
(( resid 56 and name HN ))
4.700 2.700 1.300 peak 1248 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.475 ppm2 6.766 CV 1
ASSI { 1816}
(( resid 67 and name HB3 ))
(( resid 56 and name HN ))
0.000 0.000 6.000 peak 1816 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 6.766 CV 1
ASSI { 1252}
(( resid 57 and name HN ))
(( resid 56 and name HA ))
3.000 1.100 1.100 peak 1252 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 4.778 CV 1
ASSI { 1253}
(( resid 57 and name HA ))
(( resid 56 and name HA ))
3.800 1.800 1.800 peak 1253 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.340 ppm2 4.778 CV 1
ASSI { 1254}
(( resid 57 and name HB3 ))
(( resid 56 and name HA ))
5.300 3.500 0.700 peak 1254 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 4.778 CV 1
ASSI { 1257}
(( resid 57 and name HN ))
(( resid 56 and name HB ))
4.000 2.000 2.000 peak 1257 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 3.837 CV 1
ASSI { 1264}
(( resid 58 and name HG2% ))
(( resid 57 and name HN ))
3.100 3.100 2.900 peak 1264 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 9.142 CV 1
ASSI { 1267}
(( resid 58 and name HN ))
(( resid 57 and name HA ))
2.800 1.000 1.000 peak 1267 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.257 ppm2 5.340 CV 1
ASSI { 1268}
(( resid 58 and name HA ))
(( resid 57 and name HA ))
3.900 1.900 1.900 peak 1268 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 5.340 CV 1
ASSI { 1269}
(( resid 58 and name HG2% ))
(( resid 57 and name HA ))
5.300 3.500 0.700 peak 1269 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 5.340 CV 1
ASSI { 1271}
(( resid 67 and name HN ))
(( resid 57 and name HA ))
3.800 1.800 1.800 peak 1271 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.491 ppm2 5.340 CV 1
ASSI { 1276}
(( resid 58 and name HA ))
(( resid 57 and name HB2 ))
4.200 2.200 1.800 peak 1276 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 2.453 CV 1
ASSI { 1277}
(( resid 59 and name HN ))
(( resid 57 and name HB2 ))
3.900 1.900 1.900 peak 1277 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 2.453 CV 1
ASSI { 1279}
(( resid 64 and name HA ))
(( resid 57 and name HB2 ))
4.400 2.500 1.600 peak 1279 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 2.453 CV 1
ASSI { 1834}
(( resid 64 and name HA ))
(( resid 57 and name HB3 ))
0.000 0.000 6.000 peak 1834 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 2.528 CV 1
ASSI { 1282}
(( resid 66 and name HA2 ))
(( resid 57 and name HB2 ))
5.800 4.200 0.200 peak 1282 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 2.453 CV 1
ASSI { 1836}
(( resid 66 and name HA2 ))
(( resid 57 and name HB3 ))
0.000 0.000 6.000 peak 1836 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 2.528 CV 1
ASSI { 1283}
(( resid 66 and name HA1 ))
(( resid 57 and name HB3 ))
3.100 3.100 2.900 peak 1283 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 2.528 CV 1
ASSI { 1838}
(( resid 66 and name HA1 ))
(( resid 57 and name HB2 ))
0.000 0.000 6.000 peak 1838 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 2.453 CV 1
ASSI { 1288}
(( resid 64 and name HA ))
(( resid 58 and name HN ))
3.400 3.400 2.600 peak 1288 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 9.257 CV 1
ASSI { 1290}
(( resid 65 and name HN ))
(( resid 58 and name HN ))
2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 9.257 CV 1
ASSI { 1291}
(( resid 65 and name HB ))
(( resid 58 and name HN ))
3.900 1.900 1.900 peak 1291 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.996 ppm2 9.257 CV 1
ASSI { 1292}
(( resid 66 and name HA2 ))
(( resid 58 and name HA ))
3.500 3.500 2.500 peak 1292 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 4.670 CV 1
ASSI { 1847}
(( resid 66 and name HA1 ))
(( resid 58 and name HA ))
0.000 0.000 6.000 peak 1847 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 4.670 CV 1
ASSI { 1294}
(( resid 59 and name HN ))
(( resid 58 and name HA ))
2.900 1.100 1.100 peak 1294 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.862 ppm2 4.670 CV 1
ASSI { 1295}
(( resid 59 and name HB2 ))
(( resid 58 and name HB ))
4.900 3.000 1.100 peak 1295 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.301 ppm2 4.282 CV 1
ASSI { 1850}
(( resid 59 and name HB3 ))
(( resid 58 and name HB ))
0.000 0.000 6.000 peak 1850 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 4.282 CV 1
ASSI { 1852}
(( resid 66 and name HA1 ))
(( resid 58 and name HB ))
0.000 0.000 6.000 peak 1852 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 4.282 CV 1
ASSI { 1299}
(( resid 59 and name HA ))
(( resid 58 and name HB ))
3.400 1.500 1.500 peak 1299 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.498 ppm2 4.282 CV 1
ASSI { 1300}
(( resid 60 and name HN ))
(( resid 58 and name HB ))
3.500 3.500 2.500 peak 1300 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 4.282 CV 1
ASSI { 1301}
(( resid 60 and name HB3 ))
(( resid 58 and name HB ))
4.600 2.600 1.400 peak 1301 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.922 ppm2 4.282 CV 1
ASSI { 1302}
(( resid 65 and name HN ))
(( resid 58 and name HB ))
3.200 1.300 1.300 peak 1302 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 4.282 CV 1
ASSI { 1306}
(( resid 64 and name HA ))
(( resid 59 and name HN ))
3.700 1.700 1.700 peak 1306 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 8.862 CV 1
ASSI { 1307}
(( resid 65 and name HN ))
(( resid 59 and name HA ))
3.100 1.200 1.200 peak 1307 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 5.498 CV 1
ASSI { 1310}
(( resid 60 and name HN ))
(( resid 59 and name HA ))
2.800 1.000 1.000 peak 1310 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 5.498 CV 1
ASSI { 1312}
(( resid 61 and name HN ))
(( resid 59 and name HA ))
4.000 2.000 2.000 peak 1312 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 5.498 CV 1
ASSI { 1313}
(( resid 63 and name HN ))
(( resid 59 and name HA ))
3.800 1.800 1.800 peak 1313 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 5.498 CV 1
ASSI { 1315}
(( resid 64 and name HN ))
(( resid 59 and name HA ))
3.600 1.600 1.600 peak 1315 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.812 ppm2 5.498 CV 1
ASSI { 1316}
(( resid 64 and name HG ))
(( resid 59 and name HA ))
5.100 3.200 0.900 peak 1316 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 5.498 CV 1
ASSI { 1318}
(( resid 65 and name HN ))
(( resid 59 and name HB3 ))
2.800 2.800 3.200 peak 1318 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 2.136 CV 1
ASSI { 1319}
(( resid 60 and name HN ))
(( resid 59 and name HB3 ))
4.300 2.300 1.700 peak 1319 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 2.136 CV 1
ASSI { 1320}
(( resid 64 and name HA ))
(( resid 59 and name HB3 ))
5.200 3.400 0.800 peak 1320 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 2.136 CV 1
ASSI { 1321}
(( resid 64 and name HG ))
(( resid 59 and name HB3 ))
6.000 5.600 0.000 peak 1321 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 2.136 CV 1
ASSI { 1872}
(( resid 64 and name HG ))
(( resid 59 and name HB2 ))
0.000 0.000 6.000 peak 1872 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 2.301 CV 1
ASSI { 1322}
(( resid 65 and name HN ))
(( resid 59 and name HG2 ))
3.000 3.000 3.000 peak 1322 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 2.625 CV 1
ASSI { 1874}
(( resid 65 and name HN ))
(( resid 59 and name HG3 ))
0.000 0.000 6.000 peak 1874 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 2.558 CV 1
ASSI { 1876}
(( resid 60 and name HN ))
(( resid 59 and name HG3 ))
0.000 0.000 6.000 peak 1876 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.095 ppm2 2.558 CV 1
ASSI { 1324}
(( resid 60 and name HA ))
(( resid 59 and name HG3 ))
4.700 2.700 1.300 peak 1324 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.684 ppm2 2.558 CV 1
ASSI { 1325}
(( resid 61 and name HN ))
(( resid 59 and name HG3 ))
4.200 2.200 1.800 peak 1325 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 2.558 CV 1
ASSI { 1880}
(( resid 61 and name HN ))
(( resid 59 and name HG2 ))
0.000 0.000 6.000 peak 1880 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.042 ppm2 2.625 CV 1
ASSI { 1326}
(( resid 61 and name HA1 ))
(( resid 59 and name HG3 ))
5.000 3.200 1.000 peak 1326 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.765 ppm2 2.558 CV 1
ASSI { 1882}
(( resid 61 and name HA2 ))
(( resid 59 and name HG3 ))
0.000 0.000 6.000 peak 1882 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 2.558 CV 1
ASSI { 1327}
(( resid 62 and name HN ))
(( resid 59 and name HG3 ))
4.100 2.100 1.900 peak 1327 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.810 ppm2 2.558 CV 1
ASSI { 1328}
(( resid 64 and name HG ))
(( resid 60 and name HN ))
5.300 3.500 0.700 peak 1328 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 9.095 CV 1
ASSI { 1331}
(( resid 63 and name HN ))
(( resid 60 and name HN ))
2.800 1.000 1.000 peak 1331 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 9.095 CV 1
ASSI { 1333}
(( resid 64 and name HN ))
(( resid 60 and name HN ))
3.200 3.200 2.800 peak 1333 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.812 ppm2 9.095 CV 1
ASSI { 1334}
(( resid 64 and name HA ))
(( resid 60 and name HN ))
3.700 1.700 1.700 peak 1334 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 9.095 CV 1
ASSI { 1335}
(( resid 65 and name HN ))
(( resid 60 and name HN ))
3.400 1.500 1.500 peak 1335 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 9.095 CV 1
ASSI { 1341}
(( resid 65 and name HN ))
(( resid 60 and name HB2 ))
3.100 3.100 2.900 peak 1341 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 2.055 CV 1
ASSI { 1346}
(( resid 62 and name HA ))
(( resid 61 and name HN ))
3.600 1.600 1.600 peak 1346 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.913 ppm2 9.042 CV 1
ASSI { 1347}
(( resid 63 and name HN ))
(( resid 61 and name HN ))
3.200 1.300 1.300 peak 1347 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 9.042 CV 1
ASSI { 1909}
(( resid 62 and name HB2 ))
(( resid 61 and name HA2 ))
0.000 0.000 6.000 peak 1909 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.989 ppm2 4.107 CV 1
ASSI { 1910}
(( resid 62 and name HB2 ))
(( resid 61 and name HA1 ))
0.000 0.000 6.000 peak 1910 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.989 ppm2 3.765 CV 1
ASSI { 1911}
(( resid and name ))
(( resid 62 and name HA ))
0.000 0.000 6.000 peak 1911 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.913 CV 1
ASSI { 1356}
(( resid 63 and name HN ))
(( resid 62 and name HA ))
3.100 1.200 1.200 peak 1356 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.016 ppm2 4.913 CV 1
ASSI { 1358}
(( resid 83 and name HN ))
(( resid 62 and name HA ))
3.300 1.400 1.400 peak 1358 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.595 ppm2 4.913 CV 1
ASSI { 1359}
(( resid 83 and name HB ))
(( resid 62 and name HA ))
4.300 2.300 1.700 peak 1359 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.619 ppm2 4.913 CV 1
ASSI { 1374}
(( resid 82 and name HA ))
(( resid 63 and name HN ))
3.700 1.700 1.700 peak 1374 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 8.016 CV 1
ASSI { 1377}
(( resid 65 and name HN ))
(( resid 63 and name HA ))
3.700 1.800 1.800 peak 1377 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 5.185 CV 1
ASSI { 1379}
(( resid 64 and name HN ))
(( resid 63 and name HA ))
2.800 1.000 1.000 peak 1379 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.812 ppm2 5.185 CV 1
ASSI { 1380}
(( resid 64 and name HA ))
(( resid 63 and name HA ))
3.900 1.900 1.900 peak 1380 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 5.185 CV 1
ASSI { 1381}
(( resid 64 and name HG ))
(( resid 63 and name HA ))
5.600 3.900 0.400 peak 1381 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 5.185 CV 1
ASSI { 1383}
(( resid 81 and name HN ))
(( resid 63 and name HA ))
3.500 1.600 1.600 peak 1383 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 5.185 CV 1
ASSI { 1384}
(( resid 82 and name HA ))
(( resid 63 and name HA ))
3.100 1.200 1.200 peak 1384 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 5.185 CV 1
ASSI { 1386}
(( resid 83 and name HN ))
(( resid 63 and name HA ))
3.600 1.600 1.600 peak 1386 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.595 ppm2 5.185 CV 1
ASSI { 1395}
(( resid 82 and name HA ))
(( resid 63 and name HG3 ))
4.600 2.700 1.400 peak 1395 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 1.424 CV 1
ASSI { 1932}
(( resid 64 and name HN ))
(( resid 63 and name HG3 ))
0.000 0.000 6.000 peak 1932 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.812 ppm2 1.424 CV 1
ASSI { 1933}
(( resid 82 and name HA ))
(( resid 63 and name HE3 ))
0.000 0.000 6.000 peak 1933 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 2.974 CV 1
ASSI { 1401}
(( resid 82 and name HB3 ))
(( resid 64 and name HN ))
4.200 2.200 1.800 peak 1401 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 8.812 CV 1
ASSI { 1406}
(( resid 65 and name HN ))
(( resid 64 and name HN ))
3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 8.812 CV 1
ASSI { 1407}
(( resid 65 and name HA ))
(( resid 64 and name HN ))
3.300 3.300 2.700 peak 1407 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.863 ppm2 8.812 CV 1
ASSI { 1408}
(( resid 65 and name HB ))
(( resid 64 and name HN ))
4.000 2.000 2.000 peak 1408 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.996 ppm2 8.812 CV 1
ASSI { 1409}
(( resid 80 and name HA ))
(( resid 64 and name HN ))
3.700 1.700 1.700 peak 1409 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.361 ppm2 8.812 CV 1
ASSI { 1410}
(( resid 81 and name HN ))
(( resid 64 and name HN ))
2.700 0.900 0.900 peak 1410 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 8.812 CV 1
ASSI { 1412}
(( resid 82 and name HA ))
(( resid 64 and name HN ))
3.500 1.500 1.500 peak 1412 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 8.812 CV 1
ASSI { 1414}
(( resid 65 and name HN ))
(( resid 64 and name HA ))
2.800 1.000 1.000 peak 1414 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 5.039 CV 1
ASSI { 1416}
(( resid 65 and name HB ))
(( resid 64 and name HA ))
5.000 3.100 1.000 peak 1416 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.996 ppm2 5.039 CV 1
ASSI { 1432}
(( resid 81 and name HN ))
(( resid 64 and name HG ))
3.200 3.200 2.800 peak 1432 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 0.905 CV 1
ASSI { 1435}
(( resid 65 and name HN ))
(( resid 64 and name HG ))
5.200 3.400 0.800 peak 1435 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.376 ppm2 0.905 CV 1
ASSI { 1440}
(( resid 66 and name HN ))
(( resid 65 and name HN ))
3.200 1.300 1.300 peak 1440 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 10.13 ppm2 9.376 CV 1
ASSI { 1441}
(( resid 81 and name HN ))
(( resid 65 and name HA ))
3.300 1.300 1.300 peak 1441 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 4.863 CV 1
ASSI { 1444}
(( resid 66 and name HN ))
(( resid 65 and name HA ))
2.900 1.100 1.100 peak 1444 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 10.13 ppm2 4.863 CV 1
ASSI { 1445}
(( resid 80 and name HA ))
(( resid 65 and name HA ))
3.200 1.300 1.300 peak 1445 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.361 ppm2 4.863 CV 1
ASSI { 1446}
(( resid 81 and name HN ))
(( resid 65 and name HB ))
3.100 3.100 2.900 peak 1446 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 1.996 CV 1
ASSI { 1448}
(( resid 66 and name HN ))
(( resid 65 and name HB ))
4.300 2.300 1.700 peak 1448 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 10.13 ppm2 1.996 CV 1
ASSI { 1452}
(( resid 78 and name HG2% ))
(( resid 66 and name HN ))
4.100 2.100 1.900 peak 1452 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 10.13 CV 1
ASSI { 1453}
(( resid 79 and name HN ))
(( resid 66 and name HN ))
2.700 2.700 3.300 peak 1453 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 10.13 CV 1
ASSI { 1966}
(( resid 67 and name HB2 ))
(( resid 66 and name HA2 ))
0.000 0.000 6.000 peak 1966 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.475 ppm2 4.434 CV 1
ASSI { 1462}
(( resid 68 and name HA ))
(( resid 67 and name HN ))
3.400 1.400 1.400 peak 1462 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 7.491 CV 1
ASSI { 1465}
(( resid 78 and name HG2% ))
(( resid 67 and name HA ))
4.600 2.600 1.400 peak 1465 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 4.554 CV 1
ASSI { 1467}
(( resid 68 and name HN ))
(( resid 67 and name HA ))
3.000 1.200 1.200 peak 1467 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.457 ppm2 4.554 CV 1
ASSI { 1975}
(( resid 68 and name HB3 ))
(( resid 67 and name HA ))
0.000 0.000 6.000 peak 1975 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 4.554 CV 1
ASSI { 1470}
(( resid 78 and name HA ))
(( resid 67 and name HA ))
3.300 1.300 1.300 peak 1470 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 4.554 CV 1
ASSI { 1471}
(( resid 78 and name HB ))
(( resid 67 and name HA ))
4.900 3.000 1.100 peak 1471 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.908 ppm2 4.554 CV 1
ASSI { 1474}
(( resid 79 and name HN ))
(( resid 67 and name HB3 ))
3.200 3.200 2.800 peak 1474 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 1.600 CV 1
ASSI { 1979}
(( resid 79 and name HN ))
(( resid 67 and name HB2 ))
0.000 0.000 6.000 peak 1979 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 1.475 CV 1
ASSI { 1477}
(( resid 78 and name HA ))
(( resid 67 and name HB3 ))
5.000 3.100 1.000 peak 1477 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 1.600 CV 1
ASSI { 1983}
(( resid 78 and name HA ))
(( resid 67 and name HB2 ))
0.000 0.000 6.000 peak 1983 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 1.475 CV 1
ASSI { 1480}
(( resid 78 and name HD1% ))
(( resid 67 and name HB3 ))
4.700 2.700 1.300 peak 1480 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 1.600 CV 1
ASSI { 1988}
(( resid 68 and name HA ))
(( resid 67 and name HB3 ))
0.000 0.000 6.000 peak 1988 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 1.600 CV 1
ASSI { 1495}
(( resid 76 and name HA ))
(( resid 68 and name HN ))
3.500 1.600 1.600 peak 1495 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.963 ppm2 8.457 CV 1
ASSI { 1496}
(( resid 77 and name HN ))
(( resid 68 and name HN ))
2.800 1.000 1.000 peak 1496 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 8.457 CV 1
ASSI { 1497}
(( resid 78 and name HN ))
(( resid 68 and name HN ))
3.100 3.100 2.900 peak 1497 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 8.457 CV 1
ASSI { 1498}
(( resid 78 and name HA ))
(( resid 68 and name HN ))
3.100 1.200 1.200 peak 1498 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 8.457 CV 1
ASSI { 1499}
(( resid 78 and name HB ))
(( resid 68 and name HN ))
4.400 2.400 1.600 peak 1499 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.908 ppm2 8.457 CV 1
ASSI { 1500}
(( resid 78 and name HG2% ))
(( resid 68 and name HN ))
5.100 3.200 0.900 peak 1500 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 8.457 CV 1
ASSI { 1504}
(( resid 78 and name HA ))
(( resid 68 and name HB2 ))
3.600 1.600 1.600 peak 1504 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 3.003 CV 1
ASSI { 1515}
(( resid 70 and name HA ))
(( resid 69 and name HN ))
3.500 1.500 1.500 peak 1515 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 9.206 CV 1
ASSI { 1516}
(( resid 76 and name HA ))
(( resid 69 and name HN ))
3.500 1.500 1.500 peak 1516 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.963 ppm2 9.206 CV 1
ASSI { 1517}
(( resid 77 and name HN ))
(( resid 69 and name HA ))
3.100 1.200 1.200 peak 1517 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 5.099 CV 1
ASSI { 1518}
(( resid 70 and name HN ))
(( resid 69 and name HA ))
2.800 1.000 1.000 peak 1518 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.962 ppm2 5.099 CV 1
ASSI { 1519}
(( resid 70 and name HA ))
(( resid 69 and name HA ))
4.100 2.100 1.900 peak 1519 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 5.099 CV 1
ASSI { 1521}
(( resid 75 and name HN ))
(( resid 69 and name HA ))
3.500 1.600 1.600 peak 1521 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 5.099 CV 1
ASSI { 2014}
(( resid and name ))
(( resid 69 and name HA ))
0.000 0.000 6.000 peak 2014 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.099 CV 1
ASSI { 1524}
(( resid 76 and name HA ))
(( resid 69 and name HA ))
3.100 1.200 1.200 peak 1524 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.963 ppm2 5.099 CV 1
ASSI { 1544}
(( resid 71 and name HN ))
(( resid 70 and name HN ))
2.900 1.000 1.000 peak 1544 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.277 ppm2 8.962 CV 1
ASSI { 1545}
(( resid 73 and name HN ))
(( resid 70 and name HN ))
3.300 3.300 2.700 peak 1545 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 8.962 CV 1
ASSI { 1546}
(( resid 74 and name HN ))
(( resid 70 and name HN ))
3.200 3.200 2.800 peak 1546 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 8.962 CV 1
ASSI { 1547}
(( resid 75 and name HN ))
(( resid 70 and name HN ))
2.800 1.000 1.000 peak 1547 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 8.962 CV 1
ASSI { 1548}
(( resid 75 and name HA ))
(( resid 70 and name HN ))
3.300 1.300 1.300 peak 1548 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.323 ppm2 8.962 CV 1
ASSI { 2030}
(( resid and name ))
(( resid 70 and name HN ))
0.000 0.000 6.000 peak 2030 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.962 CV 1
ASSI { 1550}
(( resid and name ))
(( resid 70 and name HN ))
4.400 2.400 1.600 peak 1550 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.962 CV 1
ASSI { 1551}
(( resid 76 and name HN ))
(( resid 70 and name HN ))
2.800 1.000 1.000 peak 1551 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 8.962 CV 1
ASSI { 1552}
(( resid 76 and name HA ))
(( resid 70 and name HN ))
3.400 1.500 1.500 peak 1552 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.963 ppm2 8.962 CV 1
ASSI { 1553}
(( resid 77 and name HN ))
(( resid 70 and name HA ))
2.700 2.700 3.300 peak 1553 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 4.528 CV 1
ASSI { 1554}
(( resid 71 and name HN ))
(( resid 70 and name HA ))
3.100 1.200 1.200 peak 1554 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.277 ppm2 4.528 CV 1
ASSI { 1555}
(( resid 72 and name HN ))
(( resid 70 and name HA ))
3.200 1.300 1.300 peak 1555 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 4.528 CV 1
ASSI { 1556}
(( resid 72 and name HB2 ))
(( resid 70 and name HA ))
5.000 3.100 1.000 peak 1556 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 4.528 CV 1
ASSI { 1557}
(( resid 73 and name HN ))
(( resid 70 and name HA ))
3.500 1.500 1.500 peak 1557 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 4.528 CV 1
ASSI { 1565}
(( resid 77 and name HN ))
(( resid 70 and name HN ))
3.200 1.300 1.300 peak 1565 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 8.962 CV 1
ASSI { 1578}
(( resid 72 and name HN ))
(( resid 70 and name HN ))
3.200 3.200 2.800 peak 1578 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 8.962 CV 1
ASSI { 1591}
(( resid 73 and name HN ))
(( resid 71 and name HN ))
3.200 3.200 2.800 peak 1591 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 8.277 CV 1
ASSI { 1593}
(( resid 72 and name HN ))
(( resid 71 and name HN ))
2.800 1.000 1.000 peak 1593 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 8.277 CV 1
ASSI { 1594}
(( resid 72 and name HB2 ))
(( resid 71 and name HN ))
4.800 2.900 1.200 peak 1594 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 8.277 CV 1
ASSI { 1595}
(( resid 73 and name HN ))
(( resid 71 and name HA ))
3.500 1.500 1.500 peak 1595 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 3.712 CV 1
ASSI { 1596}
(( resid 72 and name HN ))
(( resid 71 and name HA ))
3.400 1.500 1.500 peak 1596 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.015 ppm2 3.712 CV 1
ASSI { 1599}
(( resid 75 and name HN ))
(( resid 71 and name HB ))
3.700 3.700 2.300 peak 1599 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 1.993 CV 1
ASSI { 1600}
(( resid 70 and name HA ))
(( resid 71 and name HB ))
4.800 2.900 1.200 peak 1600 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 1.993 CV 1
ASSI { 1601}
(( resid 73 and name HN ))
(( resid 71 and name HB ))
3.800 1.800 1.800 peak 1601 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 1.993 CV 1
ASSI { 1606}
(( resid 74 and name HN ))
(( resid 72 and name HN ))
3.500 1.500 1.500 peak 1606 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 9.015 CV 1
ASSI { 1607}
(( resid 75 and name HN ))
(( resid 72 and name HA ))
2.800 2.800 3.200 peak 1607 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 4.311 CV 1
ASSI { 1609}
(( resid 73 and name HN ))
(( resid 72 and name HA ))
3.300 1.400 1.400 peak 1609 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 4.311 CV 1
ASSI { 1610}
(( resid 74 and name HN ))
(( resid 72 and name HB3 ))
4.300 2.300 1.700 peak 1610 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 1.773 CV 1
ASSI { 1614}
(( resid 74 and name HN ))
(( resid 73 and name HN ))
2.500 0.800 0.800 peak 1614 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 8.442 CV 1
ASSI { 1616}
(( resid 75 and name HN ))
(( resid 73 and name HN ))
3.200 1.300 1.300 peak 1616 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 8.442 CV 1
ASSI { 1617}
(( resid 75 and name HA ))
(( resid 73 and name HN ))
4.100 2.100 1.900 peak 1617 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.323 ppm2 8.442 CV 1
ASSI { 1618}
(( resid and name ))
(( resid 73 and name HA ))
3.300 3.300 2.700 peak 1618 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.865 CV 1
ASSI { 1620}
(( resid 74 and name HN ))
(( resid 73 and name HA ))
3.500 1.500 1.500 peak 1620 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.951 ppm2 4.865 CV 1
ASSI { 1628}
(( resid 75 and name HN ))
(( resid 74 and name HN ))
2.800 0.900 0.900 peak 1628 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.164 ppm2 7.951 CV 1
ASSI { 1629}
(( resid 75 and name HA ))
(( resid 74 and name HN ))
4.200 2.200 1.800 peak 1629 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.323 ppm2 7.951 CV 1
ASSI { 1630}
(( resid and name ))
(( resid 74 and name HN ))
4.000 2.000 2.000 peak 1630 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 7.951 CV 1
ASSI { 1631}
(( resid 76 and name HN ))
(( resid 74 and name HA1 ))
3.700 1.700 1.700 peak 1631 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 4.142 CV 1
ASSI { 1642}
(( resid 76 and name HN ))
(( resid 75 and name HA ))
3.400 1.400 1.400 peak 1642 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.486 ppm2 4.323 CV 1
ASSI { 1655}
(( resid 95 and name HN ))
(( resid 76 and name HN ))
2.300 2.300 3.700 peak 1655 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 8.486 CV 1
ASSI { 1659}
(( resid 73 and name HN ))
(( resid 76 and name HN ))
3.700 3.700 2.300 peak 1659 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.442 ppm2 8.486 CV 1
ASSI { 1661}
(( resid 77 and name HN ))
(( resid 76 and name HA ))
2.900 1.000 1.000 peak 1661 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.726 ppm2 4.963 CV 1
ASSI { 1664}
(( resid 78 and name HG13 ))
(( resid 76 and name HA ))
4.500 2.500 1.500 peak 1664 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.601 ppm2 4.963 CV 1
ASSI { 1670}
(( resid 78 and name HN ))
(( resid 76 and name HB3 ))
3.800 1.800 1.800 peak 1670 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 2.071 CV 1
ASSI { 1673}
(( resid 93 and name HG2% ))
(( resid 76 and name HB3 ))
5.500 3.800 0.500 peak 1673 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 2.071 CV 1
ASSI { 1679}
(( resid 78 and name HG13 ))
(( resid 77 and name HN ))
3.800 1.800 1.800 peak 1679 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.601 ppm2 8.726 CV 1
ASSI { 1682}
(( resid 95 and name HN ))
(( resid 77 and name HA ))
2.400 2.400 3.600 peak 1682 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 5.116 CV 1
ASSI { 1683}
(( resid 78 and name HA ))
(( resid 77 and name HA ))
4.000 2.000 2.000 peak 1683 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.041 ppm2 5.116 CV 1
ASSI { 1684}
(( resid 78 and name HB ))
(( resid 77 and name HA ))
5.200 3.400 0.800 peak 1684 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.908 ppm2 5.116 CV 1
ASSI { 1685}
(( resid 92 and name HB2 ))
(( resid 77 and name HA ))
4.400 2.400 1.600 peak 1685 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 5.116 CV 1
ASSI { 2095}
(( resid 92 and name HB3 ))
(( resid 77 and name HA ))
0.000 0.000 6.000 peak 2095 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 5.116 CV 1
ASSI { 1686}
(( resid 94 and name HA ))
(( resid 77 and name HA ))
3.800 1.800 1.800 peak 1686 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 5.116 CV 1
ASSI { 1691}
(( resid 78 and name HN ))
(( resid 77 and name HA ))
2.900 1.100 1.100 peak 1691 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 5.116 CV 1
ASSI { 1694}
(( resid 78 and name HN ))
(( resid 77 and name HG ))
4.200 2.200 1.800 peak 1694 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 1.622 CV 1
ASSI { 1704}
(( resid 93 and name HN ))
(( resid 78 and name HN ))
2.800 1.000 1.000 peak 1704 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 8.288 CV 1
ASSI { 1705}
(( resid 93 and name HB ))
(( resid 78 and name HN ))
4.000 2.000 2.000 peak 1705 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 8.288 CV 1
ASSI { 1706}
(( resid 93 and name HG2% ))
(( resid 78 and name HN ))
4.700 2.800 1.300 peak 1706 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 8.288 CV 1
ASSI { 1707}
(( resid 94 and name HA ))
(( resid 78 and name HN ))
3.200 1.300 1.300 peak 1707 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 8.288 CV 1
ASSI { 2104}
(( resid 94 and name HB2 ))
(( resid 78 and name HN ))
0.000 0.000 6.000 peak 2104 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.049 ppm2 8.288 CV 1
ASSI { 1711}
(( resid 79 and name HN ))
(( resid 78 and name HA ))
2.900 1.100 1.100 peak 1711 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 5.041 CV 1
ASSI { 1714}
(( resid 93 and name HB ))
(( resid 78 and name HB ))
3.800 1.800 1.800 peak 1714 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 1.908 CV 1
ASSI { 1717}
(( resid 79 and name HN ))
(( resid 78 and name HB ))
4.200 2.200 1.800 peak 1717 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.362 ppm2 1.908 CV 1
ASSI { 1718}
(( resid 80 and name HN ))
(( resid 78 and name HB ))
4.500 2.500 1.500 peak 1718 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.079 ppm2 1.908 CV 1
ASSI { 1719}
(( resid 92 and name HA ))
(( resid 78 and name HB ))
4.900 3.000 1.100 peak 1719 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 1.908 CV 1
ASSI { 1722}
(( resid 78 and name HN ))
(( resid 79 and name HN ))
3.400 1.400 1.400 peak 1722 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 9.362 CV 1
ASSI { 1725}
(( resid 80 and name HA ))
(( resid 79 and name HN ))
3.100 3.100 2.900 peak 1725 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.361 ppm2 9.362 CV 1
ASSI { 1726}
(( resid 92 and name HA ))
(( resid 79 and name HN ))
3.600 1.600 1.600 peak 1726 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 9.362 CV 1
ASSI { 1727}
(( resid 93 and name HN ))
(( resid 79 and name HA ))
3.100 1.200 1.200 peak 1727 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 5.624 CV 1
ASSI { 1728}
(( resid 80 and name HA ))
(( resid 79 and name HA ))
3.800 1.800 1.800 peak 1728 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.361 ppm2 5.624 CV 1
ASSI { 1729}
(( resid 80 and name HB ))
(( resid 79 and name HA ))
4.900 3.000 1.100 peak 1729 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.193 ppm2 5.624 CV 1
ASSI { 1730}
(( resid and name ))
(( resid 79 and name HA ))
4.100 2.100 1.900 peak 1730 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.624 CV 1
ASSI { 1732}
(( resid 92 and name HN ))
(( resid 79 and name HA ))
3.500 1.500 1.500 peak 1732 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.004 ppm2 5.624 CV 1
ASSI { 1733}
(( resid 92 and name HA ))
(( resid 79 and name HA ))
3.000 1.100 1.100 peak 1733 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 5.624 CV 1
ASSI { 1740}
(( resid 91 and name HN ))
(( resid 80 and name HN ))
2.700 0.900 0.900 peak 1740 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 9.079 CV 1
ASSI { 1741}
(( resid 91 and name HB ))
(( resid 80 and name HN ))
3.500 1.500 1.500 peak 1741 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.031 ppm2 9.079 CV 1
ASSI { 1742}
(( resid 92 and name HA ))
(( resid 80 and name HN ))
3.700 1.700 1.700 peak 1742 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 9.079 CV 1
ASSI { 1743}
(( resid 93 and name HN ))
(( resid 80 and name HN ))
3.400 1.400 1.400 peak 1743 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 9.079 CV 1
ASSI { 1744}
(( resid 93 and name HB ))
(( resid 80 and name HN ))
2.600 2.600 3.400 peak 1744 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 9.079 CV 1
ASSI { 1747}
(( resid 81 and name HN ))
(( resid 80 and name HA ))
2.900 1.000 1.000 peak 1747 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 5.361 CV 1
ASSI { 1750}
(( resid 81 and name HN ))
(( resid 80 and name HB ))
4.300 2.300 1.700 peak 1750 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.372 ppm2 2.193 CV 1
ASSI { 1751}
(( resid 81 and name HA ))
(( resid 80 and name HB ))
4.200 2.200 1.800 peak 1751 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.272 ppm2 2.193 CV 1
ASSI { 1753}
(( resid 91 and name HB ))
(( resid 80 and name HB ))
4.700 2.800 1.300 peak 1753 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.031 ppm2 2.193 CV 1
ASSI { 1754}
(( resid 93 and name HN ))
(( resid 80 and name HB ))
2.800 2.800 3.200 peak 1754 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 2.193 CV 1
ASSI { 1757}
(( resid 82 and name HA ))
(( resid 81 and name HA ))
4.000 2.000 2.000 peak 1757 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 5.272 CV 1
ASSI { 1760}
(( resid 82 and name HN ))
(( resid 81 and name HA ))
3.000 1.100 1.100 peak 1760 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.902 ppm2 5.272 CV 1
ASSI { 1763}
(( resid 90 and name HA ))
(( resid 81 and name HA ))
2.900 1.100 1.100 peak 1763 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.798 ppm2 5.272 CV 1
ASSI { 1764}
(( resid 91 and name HN ))
(( resid 81 and name HA ))
3.500 1.500 1.500 peak 1764 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 5.272 CV 1
ASSI { 1788}
(( resid 91 and name HG2% ))
(( resid 81 and name HA ))
3.700 1.700 1.700 peak 1788 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 5.272 CV 1
ASSI { 1789}
(( resid 82 and name HB3 ))
(( resid 81 and name HA ))
4.400 2.400 1.600 peak 1789 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 5.272 CV 1
ASSI { 2138}
(( resid and name ))
(( resid 81 and name HA ))
0.000 0.000 6.000 peak 2138 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.272 CV 1
ASSI { 1791}
(( resid 89 and name HN ))
(( resid 81 and name HA ))
3.200 1.300 1.300 peak 1791 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 5.272 CV 1
ASSI { 1794}
(( resid 90 and name HA ))
(( resid 82 and name HN ))
3.800 1.800 1.800 peak 1794 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.798 ppm2 8.902 CV 1
ASSI { 1797}
(( resid 83 and name HN ))
(( resid 82 and name HN ))
3.300 1.400 1.400 peak 1797 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.595 ppm2 8.902 CV 1
ASSI { 1802}
(( resid 89 and name HN ))
(( resid 82 and name HN ))
2.600 0.800 0.800 peak 1802 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 8.902 CV 1
ASSI { 1805}
(( resid 83 and name HN ))
(( resid 82 and name HA ))
2.900 1.100 1.100 peak 1805 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.595 ppm2 5.156 CV 1
ASSI { 1806}
(( resid 83 and name HA ))
(( resid 82 and name HA ))
3.900 1.900 1.900 peak 1806 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.694 ppm2 5.156 CV 1
ASSI { 1815}
(( resid 84 and name HN ))
(( resid 83 and name HA ))
2.900 1.100 1.100 peak 1815 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.967 ppm2 4.694 CV 1
ASSI { 1816}
(( resid 84 and name HA ))
(( resid 83 and name HA ))
4.200 2.200 1.800 peak 1816 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.689 ppm2 4.694 CV 1
ASSI { 1818}
(( resid 85 and name HN ))
(( resid 83 and name HA ))
4.200 2.200 1.800 peak 1818 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.130 ppm2 4.694 CV 1
ASSI { 1819}
(( resid 87 and name HN ))
(( resid 83 and name HA ))
3.500 1.500 1.500 peak 1819 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 4.694 CV 1
ASSI { 1820}
(( resid 87 and name HA ))
(( resid 83 and name HA ))
3.800 3.800 2.200 peak 1820 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 4.694 CV 1
ASSI { 1822}
(( resid 88 and name HA ))
(( resid 83 and name HA ))
3.400 1.400 1.400 peak 1822 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 4.694 CV 1
ASSI { 1824}
(( resid 88 and name HG ))
(( resid 83 and name HA ))
5.300 3.500 0.700 peak 1824 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.877 ppm2 4.694 CV 1
ASSI { 1827}
(( resid 84 and name HN ))
(( resid 83 and name HB ))
4.700 2.700 1.300 peak 1827 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.967 ppm2 1.619 CV 1
ASSI { 1832}
(( resid 85 and name HN ))
(( resid 84 and name HN ))
3.300 1.400 1.400 peak 1832 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.130 ppm2 8.967 CV 1
ASSI { 1833}
(( resid 87 and name HN ))
(( resid 84 and name HN ))
2.900 1.000 1.000 peak 1833 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 8.967 CV 1
ASSI { 1839}
(( resid 102 and name HA ))
(( resid 89 and name HG2% ))
4.400 2.400 1.600 peak 1839 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 1.125 CV 1
ASSI { 1840}
(( resid 90 and name HA ))
(( resid 89 and name HG2% ))
4.600 2.700 1.400 peak 1840 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.798 ppm2 1.125 CV 1
ASSI { 1841}
(( resid 90 and name HN ))
(( resid 89 and name HG2% ))
4.300 2.400 1.700 peak 1841 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.514 ppm2 1.125 CV 1
ASSI { 1842}
(( resid 101 and name HN ))
(( resid 89 and name HG2% ))
4.200 2.200 1.800 peak 1842 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 1.125 CV 1
ASSI { 1843}
(( resid 102 and name HN ))
(( resid 89 and name HG2% ))
4.800 2.800 1.200 peak 1843 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.502 ppm2 1.125 CV 1
ASSI { 1845}
(( resid 99 and name HN ))
(( resid 91 and name HG2% ))
4.500 2.500 1.500 peak 1845 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 1.142 CV 1
ASSI { 1846}
(( resid 99 and name HA ))
(( resid 91 and name HG2% ))
4.900 3.000 1.100 peak 1846 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.854 ppm2 1.142 CV 1
ASSI { 1847}
(( resid 99 and name HB% ))
(( resid 91 and name HG2% ))
5.800 4.200 0.200 peak 1847 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.524 ppm2 1.142 CV 1
ASSI { 1848}
(( resid 100 and name HN ))
(( resid 91 and name HG2% ))
4.200 2.200 1.800 peak 1848 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.913 ppm2 1.142 CV 1
ASSI { 1850}
(( resid 92 and name HE% ))
(( resid 91 and name HG2% ))
3.300 3.300 2.700 peak 1850 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.619 ppm2 1.142 CV 1
ASSI { 1853}
(( resid 95 and name HN ))
(( resid 94 and name HE% ))
3.200 1.300 1.300 peak 1853 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 6.566 CV 1
ASSI { 2171}
(( resid 100 and name HG3 ))
(( resid 99 and name HB% ))
0.000 0.000 6.000 peak 2171 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.404 ppm2 1.524 CV 1
ASSI { 1856}
(( resid 100 and name HN ))
(( resid 99 and name HB% ))
4.300 2.300 1.700 peak 1856 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.913 ppm2 1.524 CV 1
ASSI { 1878}
(( resid 86 and name HB3 ))
(( resid 85 and name HA1 ))
3.100 3.100 2.900 peak 1878 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.190 ppm2 4.027 CV 1
ASSI { 2182}
(( resid 86 and name HB2 ))
(( resid 85 and name HA1 ))
0.000 0.000 6.000 peak 2182 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.988 ppm2 4.027 CV 1
ASSI { 1879}
(( resid 87 and name HN ))
(( resid 86 and name HN ))
3.100 1.200 1.200 peak 1879 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 8.850 CV 1
ASSI { 1883}
(( resid 87 and name HA ))
(( resid 86 and name HN ))
3.500 1.500 1.500 peak 1883 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 8.850 CV 1
ASSI { 2186}
(( resid 87 and name HB3 ))
(( resid 86 and name HN ))
0.000 0.000 6.000 peak 2186 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.257 ppm2 8.850 CV 1
ASSI { 1888}
(( resid 87 and name HN ))
(( resid 86 and name HA ))
3.100 1.200 1.200 peak 1888 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.312 ppm2 4.910 CV 1
ASSI { 1889}
(( resid 87 and name HA ))
(( resid 86 and name HA ))
4.000 2.000 2.000 peak 1889 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 4.910 CV 1
ASSI { 2192}
(( resid 87 and name HA ))
(( resid 86 and name HB3 ))
0.000 0.000 6.000 peak 2192 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 3.190 CV 1
ASSI { 1901}
(( resid 88 and name HA ))
(( resid 87 and name HA ))
3.700 1.800 1.800 peak 1901 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 5.275 CV 1
ASSI { 1903}
(( resid 88 and name HN ))
(( resid 87 and name HA ))
3.000 1.100 1.100 peak 1903 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.662 ppm2 5.275 CV 1
ASSI { 1905}
(( resid 104 and name HA ))
(( resid 87 and name HA ))
3.300 1.400 1.400 peak 1905 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 5.275 CV 1
ASSI { 1906}
(( resid 104 and name HB3 ))
(( resid 87 and name HA ))
5.000 3.100 1.000 peak 1906 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 5.275 CV 1
ASSI { 2197}
(( resid 104 and name HB2 ))
(( resid 87 and name HA ))
0.000 0.000 6.000 peak 2197 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 5.275 CV 1
ASSI { 1907}
(( resid 105 and name HN ))
(( resid 87 and name HA ))
3.000 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 5.275 CV 1
ASSI { 1908}
(( resid 105 and name HA ))
(( resid 87 and name HA ))
3.400 1.500 1.500 peak 1908 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 5.275 CV 1
ASSI { 1909}
(( resid 105 and name HB2 ))
(( resid 87 and name HB2 ))
4.100 2.100 1.900 peak 1909 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 2.008 CV 1
ASSI { 2201}
(( resid 105 and name HB3 ))
(( resid 87 and name HB2 ))
0.000 0.000 6.000 peak 2201 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 2.008 CV 1
ASSI { 1910}
(( resid 103 and name HA ))
(( resid 87 and name HB3 ))
5.400 5.400 0.600 peak 1910 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.580 ppm2 2.257 CV 1
ASSI { 1911}
(( resid 88 and name HN ))
(( resid 87 and name HB3 ))
4.700 2.700 1.300 peak 1911 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.662 ppm2 2.257 CV 1
ASSI { 1912}
(( resid 88 and name HA ))
(( resid 87 and name HB3 ))
5.100 3.300 0.900 peak 1912 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 2.257 CV 1
ASSI { 2211}
(( resid 104 and name HN ))
(( resid 87 and name HB2 ))
0.000 0.000 6.000 peak 2211 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 2.008 CV 1
ASSI { 1914}
(( resid 104 and name HA ))
(( resid 87 and name HB3 ))
3.600 1.600 1.600 peak 1914 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 2.257 CV 1
ASSI { 2215}
(( resid 105 and name HN ))
(( resid 87 and name HB3 ))
0.000 0.000 6.000 peak 2215 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 2.257 CV 1
ASSI { 1922}
(( resid 104 and name HB2 ))
(( resid 87 and name HB3 ))
5.700 4.100 0.300 peak 1922 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 2.257 CV 1
ASSI { 2219}
(( resid 104 and name HB3 ))
(( resid 87 and name HB3 ))
0.000 0.000 6.000 peak 2219 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 2.257 CV 1
ASSI { 1924}
(( resid 105 and name HN ))
(( resid 88 and name HN ))
3.500 1.600 1.600 peak 1924 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 8.662 CV 1
ASSI { 1925}
(( resid 89 and name HN ))
(( resid 88 and name HN ))
3.300 1.400 1.400 peak 1925 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 8.662 CV 1
ASSI { 2225}
(( resid 103 and name HB2 ))
(( resid 88 and name HN ))
0.000 0.000 6.000 peak 2225 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 8.662 CV 1
ASSI { 1927}
(( resid 104 and name HN ))
(( resid 88 and name HN ))
3.000 1.200 1.200 peak 1927 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 8.662 CV 1
ASSI { 1928}
(( resid 104 and name HA ))
(( resid 88 and name HN ))
3.200 1.300 1.300 peak 1928 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 8.662 CV 1
ASSI { 1933}
(( resid 89 and name HA ))
(( resid 88 and name HA ))
4.100 2.100 1.900 peak 1933 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.566 ppm2 4.725 CV 1
ASSI { 1934}
(( resid 89 and name HB ))
(( resid 88 and name HA ))
4.900 3.000 1.100 peak 1934 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.983 ppm2 4.725 CV 1
ASSI { 1940}
(( resid 89 and name HN ))
(( resid 88 and name HA ))
2.900 1.100 1.100 peak 1940 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 4.725 CV 1
ASSI { 1943}
(( resid 89 and name HN ))
(( resid 88 and name HG ))
4.100 2.100 1.900 peak 1943 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 0.877 CV 1
ASSI { 1944}
(( resid 89 and name HB ))
(( resid 88 and name HG ))
6.000 4.800 0.000 peak 1944 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.983 ppm2 0.877 CV 1
ASSI { 1946}
(( resid 90 and name HB3 ))
(( resid 88 and name HG ))
5.900 4.300 0.100 peak 1946 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.462 ppm2 0.877 CV 1
ASSI { 1947}
(( resid 90 and name HB2 ))
(( resid 88 and name HG ))
4.900 3.000 1.100 peak 1947 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.215 ppm2 0.877 CV 1
ASSI { 1950}
(( resid 90 and name HN ))
(( resid 89 and name HN ))
3.200 1.300 1.300 peak 1950 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.514 ppm2 9.536 CV 1
ASSI { 1951}
(( resid 90 and name HA ))
(( resid 89 and name HN ))
3.000 3.000 3.000 peak 1951 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.798 ppm2 9.536 CV 1
ASSI { 1952}
(( resid 103 and name HN ))
(( resid 89 and name HA ))
3.000 1.100 1.100 peak 1952 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 4.566 CV 1
ASSI { 1956}
(( resid 90 and name HN ))
(( resid 89 and name HA ))
3.000 1.100 1.100 peak 1956 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.514 ppm2 4.566 CV 1
ASSI { 1957}
(( resid 90 and name HB3 ))
(( resid 89 and name HA ))
4.700 2.700 1.300 peak 1957 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.462 ppm2 4.566 CV 1
ASSI { 1958}
(( resid 102 and name HG13 ))
(( resid 89 and name HA ))
4.700 2.800 1.300 peak 1958 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.977 ppm2 4.566 CV 1
ASSI { 1959}
(( resid 103 and name HA ))
(( resid 89 and name HA ))
4.300 2.300 1.700 peak 1959 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.580 ppm2 4.566 CV 1
ASSI { 1960}
(( resid 103 and name HB3 ))
(( resid 89 and name HB ))
3.600 3.600 2.400 peak 1960 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 1.983 CV 1
ASSI { 1963}
(( resid 90 and name HN ))
(( resid 89 and name HB ))
3.900 1.900 1.900 peak 1963 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.514 ppm2 1.983 CV 1
ASSI { 1964}
(( resid 90 and name HA ))
(( resid 89 and name HB ))
4.000 2.000 2.000 peak 1964 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.798 ppm2 1.983 CV 1
ASSI { 1965}
(( resid 91 and name HN ))
(( resid 89 and name HB ))
4.100 2.100 1.900 peak 1965 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 1.983 CV 1
ASSI { 1966}
(( resid 102 and name HA ))
(( resid 90 and name HN ))
3.300 1.300 1.300 peak 1966 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 9.514 CV 1
ASSI { 1971}
(( resid 91 and name HN ))
(( resid 90 and name HA ))
2.800 1.000 1.000 peak 1971 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.407 ppm2 5.798 CV 1
ASSI { 2250}
(( resid 91 and name HA ))
(( resid 90 and name HB2 ))
0.000 0.000 6.000 peak 2250 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.347 ppm2 2.215 CV 1
ASSI { 1974}
(( resid 89 and name HN ))
(( resid 90 and name HB2 ))
3.500 1.500 1.500 peak 1974 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 2.215 CV 1
ASSI { 2252}
(( resid 89 and name HN ))
(( resid 90 and name HB3 ))
0.000 0.000 6.000 peak 2252 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 2.462 CV 1
ASSI { 1980}
(( resid 92 and name HN ))
(( resid 91 and name HN ))
3.100 3.100 2.900 peak 1980 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.004 ppm2 9.407 CV 1
ASSI { 1982}
(( resid 100 and name HA ))
(( resid 91 and name HN ))
2.400 2.400 3.600 peak 1982 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 9.407 CV 1
ASSI { 1986}
(( resid 92 and name HA ))
(( resid 91 and name HA ))
3.700 1.800 1.800 peak 1986 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 5.347 CV 1
ASSI { 2259}
(( resid 92 and name HB2 ))
(( resid 91 and name HA ))
0.000 0.000 6.000 peak 2259 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 5.347 CV 1
ASSI { 1988}
(( resid 99 and name HN ))
(( resid 91 and name HA ))
3.600 1.600 1.600 peak 1988 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 5.347 CV 1
ASSI { 1989}
(( resid 99 and name HB% ))
(( resid 91 and name HA ))
4.600 2.700 1.400 peak 1989 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.524 ppm2 5.347 CV 1
ASSI { 1990}
(( resid 100 and name HN ))
(( resid 91 and name HA ))
3.100 3.100 2.900 peak 1990 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.913 ppm2 5.347 CV 1
ASSI { 1991}
(( resid 100 and name HA ))
(( resid 91 and name HA ))
3.300 1.300 1.300 peak 1991 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 5.347 CV 1
ASSI { 2264}
(( resid 100 and name HG3 ))
(( resid 91 and name HA ))
0.000 0.000 6.000 peak 2264 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.404 ppm2 5.347 CV 1
ASSI { 1995}
(( resid 92 and name HN ))
(( resid 91 and name HB ))
3.100 1.200 1.200 peak 1995 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.004 ppm2 4.031 CV 1
ASSI { 1996}
(( resid 93 and name HN ))
(( resid 91 and name HB ))
3.400 1.400 1.400 peak 1996 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 4.031 CV 1
ASSI { 1997}
(( resid 93 and name HA ))
(( resid 91 and name HB ))
3.700 1.700 1.700 peak 1997 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.332 ppm2 4.031 CV 1
ASSI { 1998}
(( resid 93 and name HB ))
(( resid 91 and name HB ))
3.900 1.900 1.900 peak 1998 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 4.031 CV 1
ASSI { 2006}
(( resid 91 and name HG2% ))
(( resid 92 and name HN ))
5.000 3.100 1.000 peak 2006 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 9.004 CV 1
ASSI { 2007}
(( resid 93 and name HN ))
(( resid 92 and name HN ))
3.200 1.200 1.200 peak 2007 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 9.004 CV 1
ASSI { 2008}
(( resid 99 and name HN ))
(( resid 92 and name HN ))
2.700 0.900 0.900 peak 2008 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 9.004 CV 1
ASSI { 2009}
(( resid 99 and name HB% ))
(( resid 92 and name HN ))
3.800 1.800 1.800 peak 2009 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.524 ppm2 9.004 CV 1
ASSI { 2010}
(( resid 100 and name HA ))
(( resid 92 and name HN ))
3.200 1.300 1.300 peak 2010 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 9.004 CV 1
ASSI { 2015}
(( resid 93 and name HN ))
(( resid 92 and name HA ))
2.800 1.000 1.000 peak 2015 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.520 ppm2 5.698 CV 1
ASSI { 2016}
(( resid 93 and name HA ))
(( resid 92 and name HA ))
3.800 1.800 1.800 peak 2016 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.332 ppm2 5.698 CV 1
ASSI { 2017}
(( resid 93 and name HB ))
(( resid 92 and name HB2 ))
5.000 5.000 1.000 peak 2017 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 3.011 CV 1
ASSI { 2018}
(( resid 91 and name HG2% ))
(( resid 92 and name HB3 ))
6.000 6.000 0.000 peak 2018 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 3.216 CV 1
ASSI { 2285}
(( resid 99 and name HN ))
(( resid 92 and name HB2 ))
0.000 0.000 6.000 peak 2285 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 3.011 CV 1
ASSI { 2026}
(( resid 91 and name HG2% ))
(( resid 93 and name HN ))
4.900 3.000 1.100 peak 2026 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 9.520 CV 1
ASSI { 2028}
(( resid 94 and name HN ))
(( resid 93 and name HA ))
2.900 1.100 1.100 peak 2028 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.439 ppm2 5.332 CV 1
ASSI { 2031}
(( resid 94 and name HA ))
(( resid 93 and name HA ))
4.000 2.000 2.000 peak 2031 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 5.332 CV 1
ASSI { 2033}
(( resid 97 and name HN ))
(( resid 93 and name HA ))
3.800 1.800 1.800 peak 2033 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 5.332 CV 1
ASSI { 2034}
(( resid 98 and name HA ))
(( resid 93 and name HA ))
3.300 1.300 1.300 peak 2034 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 5.332 CV 1
ASSI { 2035}
(( resid and name ))
(( resid 93 and name HA ))
4.100 2.100 1.900 peak 2035 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.332 CV 1
ASSI { 2038}
(( resid 94 and name HN ))
(( resid 93 and name HN ))
3.300 1.400 1.400 peak 2038 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.439 ppm2 9.520 CV 1
ASSI { 2039}
(( resid 98 and name HA ))
(( resid 93 and name HN ))
3.400 1.400 1.400 peak 2039 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 9.520 CV 1
ASSI { 2040}
(( resid and name ))
(( resid 93 and name HG2% ))
4.400 2.400 1.600 peak 2040 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.141 CV 1
ASSI { 2041}
(( resid 99 and name HN ))
(( resid 94 and name HN ))
2.200 2.200 3.800 peak 2041 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 8.439 CV 1
ASSI { 2044}
(( resid 95 and name HN ))
(( resid 94 and name HN ))
3.200 1.200 1.200 peak 2044 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 8.439 CV 1
ASSI { 2045}
(( resid 96 and name HN ))
(( resid 94 and name HN ))
3.200 1.300 1.300 peak 2045 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 8.439 CV 1
ASSI { 2046}
(( resid 97 and name HB ))
(( resid 94 and name HN ))
3.800 1.800 1.800 peak 2046 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.251 ppm2 8.439 CV 1
ASSI { 2047}
(( resid 98 and name HN ))
(( resid 94 and name HN ))
3.100 3.100 2.900 peak 2047 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.772 ppm2 8.439 CV 1
ASSI { 2048}
(( resid 98 and name HA ))
(( resid 94 and name HN ))
3.300 1.400 1.400 peak 2048 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 8.439 CV 1
ASSI { 2052}
(( resid 95 and name HN ))
(( resid 94 and name HA ))
2.800 1.000 1.000 peak 2052 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.525 ppm2 4.996 CV 1
ASSI { 2053}
(( resid 95 and name HA ))
(( resid 94 and name HA ))
4.200 2.200 1.800 peak 2053 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.660 ppm2 4.996 CV 1
ASSI { 2308}
(( resid 95 and name HB2 ))
(( resid 94 and name HA ))
0.000 0.000 6.000 peak 2308 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.686 ppm2 4.996 CV 1
ASSI { 2055}
(( resid 97 and name HN ))
(( resid 94 and name HB3 ))
3.200 1.300 1.300 peak 2055 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 2.998 CV 1
ASSI { 2056}
(( resid 98 and name HA ))
(( resid 94 and name HB2 ))
3.200 3.200 2.800 peak 2056 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 3.049 CV 1
ASSI { 2311}
(( resid 98 and name HA ))
(( resid 94 and name HB3 ))
0.000 0.000 6.000 peak 2311 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 2.998 CV 1
ASSI { 2064}
(( resid 96 and name HN ))
(( resid 95 and name HN ))
2.700 0.900 0.900 peak 2064 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 9.525 CV 1
ASSI { 2065}
(( resid 97 and name HN ))
(( resid 95 and name HA ))
3.900 1.900 1.900 peak 2065 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.870 ppm2 3.660 CV 1
ASSI { 2067}
(( resid 96 and name HN ))
(( resid 95 and name HA ))
3.400 1.400 1.400 peak 2067 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.580 ppm2 3.660 CV 1
ASSI { 2083}
(( resid 98 and name HA ))
(( resid 97 and name HA ))
4.200 2.200 1.800 peak 2083 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 4.293 CV 1
ASSI { 2086}
(( resid 98 and name HN ))
(( resid 97 and name HA ))
3.100 1.200 1.200 peak 2086 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.772 ppm2 4.293 CV 1
ASSI { 2087}
(( resid 98 and name HA ))
(( resid 97 and name HB ))
3.900 1.900 1.900 peak 2087 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 2.251 CV 1
ASSI { 2090}
(( resid 98 and name HN ))
(( resid 97 and name HB ))
3.900 1.900 1.900 peak 2090 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.772 ppm2 2.251 CV 1
ASSI { 2095}
(( resid 99 and name HN ))
(( resid 98 and name HN ))
3.400 1.400 1.400 peak 2095 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 8.772 CV 1
ASSI { 2096}
(( resid 99 and name HA ))
(( resid 98 and name HA ))
4.100 2.100 1.900 peak 2096 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.854 ppm2 5.081 CV 1
ASSI { 2098}
(( resid 99 and name HN ))
(( resid 98 and name HA ))
3.000 1.100 1.100 peak 2098 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 5.081 CV 1
ASSI { 2103}
(( resid 100 and name HN ))
(( resid 99 and name HA ))
3.100 1.200 1.200 peak 2103 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.913 ppm2 4.854 CV 1
ASSI { 2107}
(( resid 99 and name HN ))
(( resid 100 and name HN ))
3.300 1.400 1.400 peak 2107 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 8.913 CV 1
ASSI { 2109}
(( resid 101 and name HA ))
(( resid 100 and name HA ))
4.000 2.000 2.000 peak 2109 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.612 ppm2 5.643 CV 1
ASSI { 2110}
(( resid 99 and name HN ))
(( resid 100 and name HA ))
3.200 3.200 2.800 peak 2110 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.242 ppm2 5.643 CV 1
ASSI { 2112}
(( resid 101 and name HN ))
(( resid 100 and name HA ))
2.900 1.100 1.100 peak 2112 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.316 ppm2 5.643 CV 1
ASSI { 2335}
(( resid 101 and name HB3 ))
(( resid 100 and name HA ))
0.000 0.000 6.000 peak 2335 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.777 ppm2 5.643 CV 1
ASSI { 2125}
(( resid 102 and name HN ))
(( resid 101 and name HN ))
3.300 1.400 1.400 peak 2125 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.502 ppm2 9.316 CV 1
ASSI { 2126}
(( resid 102 and name HA ))
(( resid 101 and name HA ))
4.000 2.000 2.000 peak 2126 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 4.612 CV 1
ASSI { 2128}
(( resid 102 and name HN ))
(( resid 101 and name HA ))
3.100 1.200 1.200 peak 2128 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.502 ppm2 4.612 CV 1
ASSI { 2341}
(( resid 102 and name HN ))
(( resid 101 and name HG3 ))
0.000 0.000 6.000 peak 2341 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.502 ppm2 1.413 CV 1
ASSI { 2139}
(( resid 102 and name HA ))
(( resid 101 and name HG3 ))
4.500 2.600 1.500 peak 2139 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 1.413 CV 1
ASSI { 2141}
(( resid 103 and name HA ))
(( resid 101 and name HG3 ))
4.400 2.400 1.600 peak 2141 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.580 ppm2 1.413 CV 1
ASSI { 2143}
(( resid 103 and name HE% ))
(( resid 102 and name HN ))
2.600 2.600 3.400 peak 2143 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.011 ppm2 8.502 CV 1
ASSI { 2147}
(( resid 103 and name HN ))
(( resid 102 and name HA ))
2.900 1.000 1.000 peak 2147 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 4.781 CV 1
ASSI { 2150}
(( resid 103 and name HN ))
(( resid 102 and name HB ))
4.100 2.100 1.900 peak 2150 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.725 ppm2 1.829 CV 1
ASSI { 2157}
(( resid 104 and name HA ))
(( resid 103 and name HA ))
3.800 1.800 1.800 peak 2157 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 4.580 CV 1
ASSI { 2160}
(( resid 104 and name HN ))
(( resid 103 and name HA ))
3.100 1.200 1.200 peak 2160 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.765 ppm2 4.580 CV 1
ASSI { 2161}
(( resid 104 and name HB2 ))
(( resid 103 and name HA ))
4.600 2.700 1.400 peak 2161 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 4.580 CV 1
ASSI { 2169}
(( resid 105 and name HN ))
(( resid 104 and name HN ))
3.200 1.300 1.300 peak 2169 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 8.765 CV 1
ASSI { 2170}
(( resid 105 and name HA ))
(( resid 104 and name HA ))
3.800 1.800 1.800 peak 2170 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 5.383 CV 1
ASSI { 2173}
(( resid 105 and name HB2 ))
(( resid 104 and name HB3 ))
3.900 1.900 1.900 peak 2173 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 2.124 CV 1
ASSI { 2360}
(( resid 105 and name HB3 ))
(( resid 104 and name HB3 ))
0.000 0.000 6.000 peak 2360 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 2.124 CV 1
ASSI { 2361}
(( resid 105 and name HB2 ))
(( resid 104 and name HB2 ))
0.000 0.000 6.000 peak 2361 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 2.124 CV 1
ASSI { 2175}
(( resid 105 and name HA ))
(( resid 104 and name HB3 ))
4.600 2.700 1.400 peak 2175 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 2.124 CV 1
ASSI { 2179}
(( resid 105 and name HN ))
(( resid 104 and name HA ))
2.700 0.900 0.900 peak 2179 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 5.383 CV 1
ASSI { 2186}
(( resid 106 and name HN ))
(( resid 105 and name HB2 ))
4.600 2.600 1.400 peak 2186 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.431 ppm2 1.506 CV 1
ASSI { 2189}
(( resid 106 and name HN ))
(( resid 105 and name HB3 ))
4.500 2.500 1.500 peak 2189 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.431 ppm2 1.605 CV 1
ASSI { 2193}
(( resid 105 and name HN ))
(( resid 106 and name HN ))
3.500 1.500 1.500 peak 2193 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.686 ppm2 8.431 CV 1
ASSI { 91}
(( resid 4 and name HA2 ))
(( resid 4 and name HA1 ))
2.300 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.293 ppm2 3.815 CV 1
ASSI { 150}
(( resid 6 and name HA ))
(( resid 6 and name HN ))
1.900 1.900 4.100 peak 150 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.280 ppm2 9.399 CV 1
ASSI { 151}
(( resid 6 and name HB3 ))
(( resid 6 and name HN ))
2.900 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.918 ppm2 9.399 CV 1
ASSI { 168}
(( resid 6 and name HB3 ))
(( resid 6 and name HA ))
2.300 0.600 0.600 peak 168 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.918 ppm2 5.280 CV 1
ASSI { 169}
(( resid 6 and name HB2 ))
(( resid 6 and name HA ))
2.600 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.236 ppm2 5.280 CV 1
ASSI { 188}
(( resid 6 and name HB2 ))
(( resid 6 and name HB3 ))
2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.236 ppm2 2.918 CV 1
ASSI { 229}
(( resid 7 and name HB2 ))
(( resid 7 and name HN ))
2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.980 ppm2 9.796 CV 1
ASSI { 230}
(( resid 7 and name HB3 ))
(( resid 7 and name HN ))
2.300 2.300 3.700 peak 230 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.039 ppm2 9.796 CV 1
ASSI { 247}
(( resid 7 and name HB2 ))
(( resid 7 and name HA ))
2.500 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.980 ppm2 5.950 CV 1
ASSI { 248}
(( resid 7 and name HB3 ))
(( resid 7 and name HA ))
2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.039 ppm2 5.950 CV 1
ASSI { 296}
(( resid 8 and name HA ))
(( resid 8 and name HN ))
2.300 0.700 0.700 peak 296 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.436 ppm2 8.699 CV 1
ASSI { 297}
(( resid 8 and name HB ))
(( resid 8 and name HN ))
2.500 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.402 ppm2 8.699 CV 1
ASSI { 325}
(( resid and name ))
(( resid 11 and name HN ))
2.500 2.500 3.500 peak 325 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.491 CV 1
ASSI { 331}
(( resid and name ))
(( resid 11 and name HA ))
3.000 1.100 1.100 peak 331 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.160 CV 1
ASSI { 332}
(( resid and name ))
(( resid 11 and name HA ))
3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.160 CV 1
ASSI { 367}
(( resid 12 and name HA ))
(( resid 12 and name HN ))
2.200 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.378 ppm2 8.721 CV 1
ASSI { 400}
(( resid 13 and name HA ))
(( resid 13 and name HN ))
2.000 2.000 4.000 peak 400 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.464 ppm2 9.542 CV 1
ASSI { 402}
(( resid 13 and name HG ))
(( resid 13 and name HN ))
3.000 1.200 1.200 peak 402 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.219 ppm2 9.542 CV 1
ASSI { 413}
(( resid and name ))
(( resid 13 and name HA ))
3.400 1.400 1.400 peak 413 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.464 CV 1
ASSI { 454}
(( resid and name ))
(( resid 13 and name HG ))
4.100 2.100 1.900 peak 454 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.219 CV 1
ASSI { 501}
(( resid 14 and name HA ))
(( resid 14 and name HN ))
2.000 2.000 4.000 peak 501 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.522 ppm2 9.065 CV 1
ASSI { 502}
(( resid 14 and name HB ))
(( resid 14 and name HN ))
2.200 2.200 3.800 peak 502 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.087 ppm2 9.065 CV 1
ASSI { 503}
(( resid 14 and name HG2% ))
(( resid 14 and name HN ))
3.200 1.300 1.300 peak 503 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.278 ppm2 9.065 CV 1
ASSI { 528}
(( resid 14 and name HB ))
(( resid 14 and name HA ))
2.400 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.087 ppm2 5.522 CV 1
ASSI { 529}
(( resid 14 and name HG2% ))
(( resid 14 and name HA ))
2.900 1.100 1.100 peak 529 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.278 ppm2 5.522 CV 1
ASSI { 572}
(( resid 15 and name HA ))
(( resid 15 and name HN ))
2.100 2.100 3.900 peak 572 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.014 ppm2 9.467 CV 1
ASSI { 573}
(( resid 15 and name HB ))
(( resid 15 and name HN ))
2.300 0.700 0.700 peak 573 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 9.467 CV 1
ASSI { 587}
(( resid 15 and name HB ))
(( resid 15 and name HA ))
2.900 1.000 1.000 peak 587 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.923 ppm2 5.014 CV 1
ASSI { 588}
(( resid 15 and name HG2% ))
(( resid 15 and name HA ))
2.900 1.100 1.100 peak 588 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.330 ppm2 5.014 CV 1
ASSI { 614}
(( resid 15 and name HD1% ))
(( resid 15 and name HB ))
3.600 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.898 ppm2 1.923 CV 1
ASSI { 626}
(( resid 15 and name HD1% ))
(( resid 15 and name HG2% ))
3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.898 ppm2 1.330 CV 1
ASSI { 654}
(( resid 16 and name HA ))
(( resid 16 and name HN ))
2.100 2.100 3.900 peak 654 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.730 ppm2 8.758 CV 1
ASSI { 675}
(( resid 16 and name HB ))
(( resid 16 and name HA ))
2.500 0.800 0.800 peak 675 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.997 ppm2 4.730 CV 1
ASSI { 707}
(( resid 17 and name HA ))
(( resid 17 and name HN ))
2.200 2.200 3.800 peak 707 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.230 ppm2 9.073 CV 1
ASSI { 750}
(( resid 18 and name HA ))
(( resid 18 and name HN ))
2.200 0.600 0.600 peak 750 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.226 ppm2 8.871 CV 1
ASSI { 751}
(( resid 18 and name HB3 ))
(( resid 18 and name HN ))
3.100 1.200 1.200 peak 751 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 8.871 CV 1
ASSI { 763}
(( resid 18 and name HB3 ))
(( resid 18 and name HA ))
3.200 1.300 1.300 peak 763 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 4.226 CV 1
ASSI { 780}
(( resid 19 and name HA2 ))
(( resid 19 and name HN ))
2.600 0.800 0.800 peak 780 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.773 ppm2 9.017 CV 1
ASSI { 781}
(( resid 19 and name HA1 ))
(( resid 19 and name HN ))
2.200 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.113 ppm2 9.017 CV 1
ASSI { 788}
(( resid 19 and name HA1 ))
(( resid 19 and name HA2 ))
2.300 0.700 0.700 peak 788 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.113 ppm2 3.773 CV 1
ASSI { 809}
(( resid 20 and name HA ))
(( resid 20 and name HN ))
2.300 0.600 0.600 peak 809 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.037 ppm2 8.857 CV 1
ASSI { 810}
(( resid 20 and name HB3 ))
(( resid 20 and name HN ))
2.700 2.700 3.300 peak 810 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.197 ppm2 8.857 CV 1
ASSI { 818}
(( resid 20 and name HB3 ))
(( resid 20 and name HA ))
2.500 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.197 ppm2 5.037 CV 1
ASSI { 819}
(( resid 20 and name HB2 ))
(( resid 20 and name HA ))
2.900 1.100 1.100 peak 819 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.995 ppm2 5.037 CV 1
ASSI { 828}
(( resid 20 and name HB2 ))
(( resid 20 and name HB3 ))
2.500 0.800 0.800 peak 828 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.995 ppm2 3.197 CV 1
ASSI { 857}
(( resid 21 and name HA ))
(( resid 21 and name HN ))
2.100 2.100 3.900 peak 857 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.930 ppm2 7.941 CV 1
ASSI { 858}
(( resid and name ))
(( resid 21 and name HN ))
2.800 1.000 1.000 peak 858 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 7.941 CV 1
ASSI { 869}
(( resid and name ))
(( resid 21 and name HA ))
2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.930 CV 1
ASSI { 897}
(( resid 22 and name HA ))
(( resid 22 and name HN ))
2.100 2.100 3.900 peak 897 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.794 ppm2 9.098 CV 1
ASSI { 898}
(( resid 22 and name HB3 ))
(( resid 22 and name HN ))
3.400 1.400 1.400 peak 898 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 9.098 CV 1
ASSI { 899}
(( resid 22 and name HB2 ))
(( resid 22 and name HN ))
2.500 0.800 0.800 peak 899 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.123 ppm2 9.098 CV 1
ASSI { 920}
(( resid 22 and name HB3 ))
(( resid 22 and name HA ))
2.700 0.900 0.900 peak 920 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 4.794 CV 1
ASSI { 921}
(( resid 22 and name HB2 ))
(( resid 22 and name HA ))
3.400 1.400 1.400 peak 921 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.123 ppm2 4.794 CV 1
ASSI { 931}
(( resid 22 and name HB2 ))
(( resid 22 and name HB3 ))
3.000 3.000 3.000 peak 931 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.123 ppm2 1.600 CV 1
ASSI { 975}
(( resid 23 and name HG2% ))
(( resid 23 and name HN ))
2.800 1.000 1.000 peak 975 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.121 ppm2 8.311 CV 1
ASSI { 1010}
(( resid 23 and name HG2% ))
(( resid 23 and name HB ))
3.200 1.300 1.300 peak 1010 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.121 ppm2 3.995 CV 1
ASSI { 1040}
(( resid 24 and name HA ))
(( resid 24 and name HN ))
2.000 2.000 4.000 peak 1040 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.034 ppm2 9.432 CV 1
ASSI { 1072}
(( resid 24 and name HB ))
(( resid 24 and name HA ))
2.600 0.900 0.900 peak 1072 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.373 ppm2 5.034 CV 1
ASSI { 1106}
(( resid 24 and name HG2% ))
(( resid 24 and name HG1% ))
4.000 2.000 2.000 peak 1106 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 1.019 CV 1
ASSI { 1145}
(( resid 25 and name HB3 ))
(( resid 25 and name HN ))
2.200 0.600 0.600 peak 1145 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 9.163 CV 1
ASSI { 1146}
(( resid 25 and name HB2 ))
(( resid 25 and name HN ))
2.600 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 9.163 CV 1
ASSI { 1160}
(( resid 25 and name HB3 ))
(( resid 25 and name HA ))
2.900 1.000 1.000 peak 1160 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.074 ppm2 5.342 CV 1
ASSI { 1161}
(( resid 25 and name HB2 ))
(( resid 25 and name HA ))
2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 5.342 CV 1
ASSI { 1180}
(( resid 25 and name HB2 ))
(( resid 25 and name HB3 ))
2.400 0.700 0.700 peak 1180 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.135 ppm2 2.074 CV 1
ASSI { 1215}
(( resid and name ))
(( resid 26 and name HN ))
2.700 0.900 0.900 peak 1215 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.322 CV 1
ASSI { 1229}
(( resid and name ))
(( resid 26 and name HA ))
2.800 0.900 0.900 peak 1229 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.478 CV 1
ASSI { 1255}
(( resid 27 and name HA ))
(( resid 27 and name HN ))
2.100 2.100 3.900 peak 1255 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.566 ppm2 9.182 CV 1
ASSI { 1256}
(( resid 27 and name HB2 ))
(( resid 27 and name HN ))
2.100 0.600 0.600 peak 1256 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.868 ppm2 9.182 CV 1
ASSI { 1257}
(( resid 27 and name HB3 ))
(( resid 27 and name HN ))
2.700 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.998 ppm2 9.182 CV 1
ASSI { 1264}
(( resid 27 and name HB3 ))
(( resid 27 and name HA ))
2.400 0.700 0.700 peak 1264 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.998 ppm2 5.566 CV 1
ASSI { 1280}
(( resid 27 and name HB3 ))
(( resid 27 and name HB2 ))
2.200 0.600 0.600 peak 1280 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.998 ppm2 3.868 CV 1
ASSI { 1300}
(( resid 28 and name HA ))
(( resid 28 and name HN ))
2.200 0.600 0.600 peak 1300 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.078 ppm2 8.675 CV 1
ASSI { 1301}
(( resid 28 and name HB3 ))
(( resid 28 and name HN ))
2.500 0.800 0.800 peak 1301 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.157 ppm2 8.675 CV 1
ASSI { 1302}
(( resid 28 and name HB2 ))
(( resid 28 and name HN ))
2.200 2.200 3.800 peak 1302 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.112 ppm2 8.675 CV 1
ASSI { 1316}
(( resid 28 and name HB3 ))
(( resid 28 and name HA ))
2.600 0.800 0.800 peak 1316 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.157 ppm2 5.078 CV 1
ASSI { 1317}
(( resid 28 and name HB2 ))
(( resid 28 and name HA ))
2.600 0.900 0.900 peak 1317 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.112 ppm2 5.078 CV 1
ASSI { 1326}
(( resid 28 and name HB2 ))
(( resid 28 and name HB3 ))
2.300 0.600 0.600 peak 1326 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.112 ppm2 4.157 CV 1
ASSI { 1342}
(( resid 29 and name HA ))
(( resid 29 and name HN ))
2.400 0.700 0.700 peak 1342 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.376 ppm2 8.146 CV 1
ASSI { 1343}
(( resid 29 and name HB3 ))
(( resid 29 and name HN ))
2.800 1.000 1.000 peak 1343 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.685 ppm2 8.146 CV 1
ASSI { 1350}
(( resid 29 and name HB3 ))
(( resid 29 and name HA ))
3.000 1.100 1.100 peak 1350 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.685 ppm2 4.376 CV 1
ASSI { 1370}
(( resid 30 and name HB3 ))
(( resid 30 and name HN ))
2.600 0.900 0.900 peak 1370 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.360 ppm2 8.154 CV 1
ASSI { 1372}
(( resid 30 and name HD% ))
(( resid 30 and name HN ))
2.200 2.200 3.800 peak 1372 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.285 ppm2 8.154 CV 1
ASSI { 1378}
(( resid 30 and name HB3 ))
(( resid 30 and name HA ))
2.900 1.000 1.000 peak 1378 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.360 ppm2 4.617 CV 1
ASSI { 1379}
(( resid 30 and name HB2 ))
(( resid 30 and name HA ))
2.700 0.900 0.900 peak 1379 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.104 ppm2 4.617 CV 1
ASSI { 1380}
(( resid 30 and name HD% ))
(( resid 30 and name HA ))
2.400 0.700 0.700 peak 1380 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.285 ppm2 4.617 CV 1
ASSI { 1381}
(( resid 30 and name HE% ))
(( resid 30 and name HA ))
1.800 1.800 4.200 peak 1381 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.427 ppm2 4.617 CV 1
ASSI { 1388}
(( resid 30 and name HB2 ))
(( resid 30 and name HB3 ))
2.400 0.700 0.700 peak 1388 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.104 ppm2 3.360 CV 1
ASSI { 1389}
(( resid 30 and name HD% ))
(( resid 30 and name HB3 ))
2.200 0.600 0.600 peak 1389 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.285 ppm2 3.360 CV 1
ASSI { 1395}
(( resid 30 and name HD% ))
(( resid 30 and name HB2 ))
2.600 0.800 0.800 peak 1395 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.285 ppm2 3.104 CV 1
ASSI { 1402}
(( resid 30 and name HE% ))
(( resid 30 and name HD% ))
2.000 0.500 0.500 peak 1402 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.427 ppm2 7.285 CV 1
ASSI { 1439}
(( resid 32 and name HA ))
(( resid 32 and name HN ))
2.200 2.200 3.800 peak 1439 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.619 ppm2 8.691 CV 1
ASSI { 1474}
(( resid 33 and name HA ))
(( resid 33 and name HN ))
2.200 0.600 0.600 peak 1474 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.636 ppm2 8.802 CV 1
ASSI { 1475}
(( resid 33 and name HB ))
(( resid 33 and name HN ))
2.700 0.900 0.900 peak 1475 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 8.802 CV 1
ASSI { 1476}
(( resid 33 and name HG2% ))
(( resid 33 and name HN ))
2.800 0.900 0.900 peak 1476 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 8.802 CV 1
ASSI { 1484}
(( resid 33 and name HB ))
(( resid 33 and name HA ))
2.800 1.000 1.000 peak 1484 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 4.636 CV 1
ASSI { 1485}
(( resid 33 and name HG2% ))
(( resid 33 and name HA ))
3.100 1.200 1.200 peak 1485 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 4.636 CV 1
ASSI { 1496}
(( resid 33 and name HD1% ))
(( resid 33 and name HB ))
3.800 1.900 1.900 peak 1496 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.948 ppm2 1.982 CV 1
ASSI { 1509}
(( resid 33 and name HD1% ))
(( resid 33 and name HG2% ))
4.200 2.200 1.800 peak 1509 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.948 ppm2 1.610 CV 1
ASSI { 1526}
(( resid 34 and name HA ))
(( resid 34 and name HN ))
2.100 2.100 3.900 peak 1526 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.428 ppm2 8.626 CV 1
ASSI { 1527}
(( resid 34 and name HB2 ))
(( resid 34 and name HN ))
2.500 2.500 3.500 peak 1527 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.627 ppm2 8.626 CV 1
ASSI { 1528}
(( resid 34 and name HB3 ))
(( resid 34 and name HN ))
2.900 1.100 1.100 peak 1528 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.560 ppm2 8.626 CV 1
ASSI { 1538}
(( resid 34 and name HB2 ))
(( resid 34 and name HA ))
3.100 1.200 1.200 peak 1538 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.627 ppm2 5.428 CV 1
ASSI { 1539}
(( resid 34 and name HB3 ))
(( resid 34 and name HA ))
2.500 0.800 0.800 peak 1539 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.560 ppm2 5.428 CV 1
ASSI { 1552}
(( resid 34 and name HB3 ))
(( resid 34 and name HB2 ))
2.600 0.900 0.900 peak 1552 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.560 ppm2 2.627 CV 1
ASSI { 1581}
(( resid 35 and name HA ))
(( resid 35 and name HN ))
2.100 2.100 3.900 peak 1581 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.605 ppm2 9.146 CV 1
ASSI { 1594}
(( resid 35 and name HG1% ))
(( resid 35 and name HA ))
2.900 1.100 1.100 peak 1594 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.199 ppm2 4.605 CV 1
ASSI { 1595}
(( resid 35 and name HG2% ))
(( resid 35 and name HA ))
3.200 1.300 1.300 peak 1595 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.970 ppm2 4.605 CV 1
ASSI { 1616}
(( resid 35 and name HG2% ))
(( resid 35 and name HG1% ))
4.100 2.100 1.900 peak 1616 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.970 ppm2 1.199 CV 1
ASSI { 1631}
(( resid 36 and name HA ))
(( resid 36 and name HN ))
2.100 2.100 3.900 peak 1631 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.131 ppm2 8.168 CV 1
ASSI { 1674}
(( resid 36 and name HG1% ))
(( resid 36 and name HG2% ))
4.200 2.200 1.800 peak 1674 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 0.905 CV 1
ASSI { 1707}
(( resid 37 and name HB2 ))
(( resid 37 and name HN ))
2.800 2.800 3.200 peak 1707 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.588 ppm2 8.317 CV 1
ASSI { 1709}
(( resid 37 and name HD% ))
(( resid 37 and name HN ))
2.000 2.000 4.000 peak 1709 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 8.317 CV 1
ASSI { 1719}
(( resid 37 and name HB2 ))
(( resid 37 and name HA ))
2.900 1.100 1.100 peak 1719 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.588 ppm2 4.809 CV 1
ASSI { 1720}
(( resid 37 and name HB3 ))
(( resid 37 and name HA ))
2.500 0.800 0.800 peak 1720 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.676 ppm2 4.809 CV 1
ASSI { 1721}
(( resid 37 and name HD% ))
(( resid 37 and name HA ))
2.700 0.900 0.900 peak 1721 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 4.809 CV 1
ASSI { 1732}
(( resid 37 and name HB3 ))
(( resid 37 and name HB2 ))
2.600 0.800 0.800 peak 1732 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.676 ppm2 1.588 CV 1
ASSI { 1733}
(( resid 37 and name HD% ))
(( resid 37 and name HB2 ))
2.500 0.800 0.800 peak 1733 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 1.588 CV 1
ASSI { 1754}
(( resid 37 and name HD% ))
(( resid 37 and name HB3 ))
2.300 0.700 0.700 peak 1754 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.488 ppm2 2.676 CV 1
ASSI { 1755}
(( resid 37 and name HE% ))
(( resid 37 and name HB3 ))
3.000 3.000 3.000 peak 1755 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 2.676 CV 1
ASSI { 1778}
(( resid 37 and name HE% ))
(( resid 37 and name HD% ))
2.000 0.500 0.500 peak 1778 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 6.488 CV 1
ASSI { 1779}
(( resid 37 and name HZ ))
(( resid 37 and name HD% ))
2.500 2.500 3.500 peak 1779 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 6.488 CV 1
ASSI { 1796}
(( resid 37 and name HZ ))
(( resid 37 and name HE% ))
2.100 0.600 0.600 peak 1796 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.365 ppm2 6.254 CV 1
ASSI { 1821}
(( resid 38 and name HA ))
(( resid 38 and name HN ))
2.100 2.100 3.900 peak 1821 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.359 ppm2 9.417 CV 1
ASSI { 1822}
(( resid 38 and name HB2 ))
(( resid 38 and name HN ))
2.500 0.800 0.800 peak 1822 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.024 ppm2 9.417 CV 1
ASSI { 1823}
(( resid 38 and name HB3 ))
(( resid 38 and name HN ))
2.700 0.900 0.900 peak 1823 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.910 ppm2 9.417 CV 1
ASSI { 1844}
(( resid 38 and name HB2 ))
(( resid 38 and name HA ))
2.800 0.900 0.900 peak 1844 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.024 ppm2 5.359 CV 1
ASSI { 1845}
(( resid 38 and name HB3 ))
(( resid 38 and name HA ))
2.800 0.900 0.900 peak 1845 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.910 ppm2 5.359 CV 1
ASSI { 1854}
(( resid 38 and name HB3 ))
(( resid 38 and name HB2 ))
2.800 1.000 1.000 peak 1854 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.910 ppm2 2.024 CV 1
ASSI { 1924}
(( resid 40 and name HA1 ))
(( resid 40 and name HN ))
2.200 0.600 0.600 peak 1924 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.624 ppm2 9.223 CV 1
ASSI { 1925}
(( resid 40 and name HA2 ))
(( resid 40 and name HN ))
2.500 0.800 0.800 peak 1925 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.348 ppm2 9.223 CV 1
ASSI { 1941}
(( resid 40 and name HA2 ))
(( resid 40 and name HA1 ))
2.200 0.600 0.600 peak 1941 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.348 ppm2 3.624 CV 1
ASSI { 1969}
(( resid 41 and name HA ))
(( resid 41 and name HN ))
2.300 0.600 0.600 peak 1969 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.398 ppm2 7.877 CV 1
ASSI { 1970}
(( resid 41 and name HB ))
(( resid 41 and name HN ))
2.400 0.700 0.700 peak 1970 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 7.877 CV 1
ASSI { 1971}
(( resid 41 and name HG1% ))
(( resid 41 and name HN ))
3.200 1.300 1.300 peak 1971 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 7.877 CV 1
ASSI { 2027}
(( resid 42 and name HA ))
(( resid 42 and name HN ))
2.200 2.200 3.800 peak 2027 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.870 ppm2 8.761 CV 1
ASSI { 2063}
(( resid 43 and name HA ))
(( resid 43 and name HN ))
2.100 2.100 3.900 peak 2063 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.117 ppm2 9.527 CV 1
ASSI { 2064}
(( resid 43 and name HB2 ))
(( resid 43 and name HN ))
2.500 2.500 3.500 peak 2064 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 9.527 CV 1
ASSI { 2065}
(( resid 43 and name HB3 ))
(( resid 43 and name HN ))
2.400 2.400 3.600 peak 2065 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.423 ppm2 9.527 CV 1
ASSI { 2066}
(( resid 43 and name HD% ))
(( resid 43 and name HN ))
2.000 2.000 4.000 peak 2066 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 9.527 CV 1
ASSI { 2081}
(( resid 43 and name HB2 ))
(( resid 43 and name HA ))
2.700 0.900 0.900 peak 2081 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 5.117 CV 1
ASSI { 2082}
(( resid 43 and name HB3 ))
(( resid 43 and name HA ))
2.500 0.800 0.800 peak 2082 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.423 ppm2 5.117 CV 1
ASSI { 2083}
(( resid 43 and name HD% ))
(( resid 43 and name HA ))
2.600 2.600 3.400 peak 2083 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 5.117 CV 1
ASSI { 2089}
(( resid 43 and name HB3 ))
(( resid 43 and name HB2 ))
2.300 0.700 0.700 peak 2089 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.423 ppm2 3.637 CV 1
ASSI { 2090}
(( resid 43 and name HD% ))
(( resid 43 and name HB2 ))
2.300 0.600 0.600 peak 2090 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 3.637 CV 1
ASSI { 2103}
(( resid 43 and name HD% ))
(( resid 43 and name HB3 ))
2.200 0.600 0.600 peak 2103 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.755 ppm2 3.423 CV 1
ASSI { 2104}
(( resid 43 and name HE% ))
(( resid 43 and name HB3 ))
2.900 2.900 3.100 peak 2104 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 3.423 CV 1
ASSI { 2121}
(( resid 43 and name HE% ))
(( resid 43 and name HD% ))
1.900 0.500 0.500 peak 2121 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 7.755 CV 1
ASSI { 2145}
(( resid 44 and name HA ))
(( resid 44 and name HN ))
2.200 2.200 3.800 peak 2145 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.234 ppm2 8.155 CV 1
ASSI { 2177}
(( resid 45 and name HA ))
(( resid 45 and name HN ))
2.200 0.600 0.600 peak 2177 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.974 ppm2 8.523 CV 1
ASSI { 2178}
(( resid 45 and name HB3 ))
(( resid 45 and name HN ))
2.400 0.700 0.700 peak 2178 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.950 ppm2 8.523 CV 1
ASSI { 2179}
(( resid 45 and name HB2 ))
(( resid 45 and name HN ))
2.600 0.900 0.900 peak 2179 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.630 ppm2 8.523 CV 1
ASSI { 2180}
(( resid 45 and name HD% ))
(( resid 45 and name HN ))
2.700 2.700 3.300 peak 2180 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.534 ppm2 8.523 CV 1
ASSI { 2194}
(( resid 45 and name HB3 ))
(( resid 45 and name HA ))
3.000 1.100 1.100 peak 2194 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.950 ppm2 4.974 CV 1
ASSI { 2195}
(( resid 45 and name HB2 ))
(( resid 45 and name HA ))
2.600 0.800 0.800 peak 2195 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.630 ppm2 4.974 CV 1
ASSI { 2196}
(( resid 45 and name HD% ))
(( resid 45 and name HA ))
2.100 0.500 0.500 peak 2196 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.534 ppm2 4.974 CV 1
ASSI { 2208}
(( resid 45 and name HB2 ))
(( resid 45 and name HB3 ))
2.500 0.800 0.800 peak 2208 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.630 ppm2 2.950 CV 1
ASSI { 2209}
(( resid 45 and name HD% ))
(( resid 45 and name HB3 ))
2.300 0.600 0.600 peak 2209 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.534 ppm2 2.950 CV 1
ASSI { 2217}
(( resid 45 and name HD% ))
(( resid 45 and name HB2 ))
2.800 1.000 1.000 peak 2217 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.534 ppm2 2.630 CV 1
ASSI { 2218}
(( resid 45 and name HE% ))
(( resid 45 and name HB2 ))
3.200 1.300 1.300 peak 2218 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.153 ppm2 2.630 CV 1
ASSI { 2227}
(( resid 45 and name HE% ))
(( resid 45 and name HD% ))
2.100 0.500 0.500 peak 2227 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.153 ppm2 6.534 CV 1
ASSI { 2249}
(( resid 46 and name HB2 ))
(( resid 46 and name HN ))
2.400 0.700 0.700 peak 2249 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.543 ppm2 7.645 CV 1
ASSI { 2250}
(( resid 46 and name HB3 ))
(( resid 46 and name HN ))
2.400 0.700 0.700 peak 2250 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 7.645 CV 1
ASSI { 2260}
(( resid 46 and name HB2 ))
(( resid 46 and name HA ))
2.500 0.800 0.800 peak 2260 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.543 ppm2 5.226 CV 1
ASSI { 2261}
(( resid 46 and name HB3 ))
(( resid 46 and name HA ))
2.700 0.900 0.900 peak 2261 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 5.226 CV 1
ASSI { 2274}
(( resid 46 and name HB3 ))
(( resid 46 and name HB2 ))
2.300 0.700 0.700 peak 2274 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.637 ppm2 3.543 CV 1
ASSI { 2294}
(( resid 47 and name HA ))
(( resid 47 and name HN ))
2.200 2.200 3.800 peak 2294 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.316 ppm2 8.081 CV 1
ASSI { 2319}
(( resid 48 and name HA ))
(( resid 48 and name HN ))
2.300 0.700 0.700 peak 2319 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.946 ppm2 7.398 CV 1
ASSI { 2320}
(( resid 48 and name HB% ))
(( resid 48 and name HN ))
3.000 1.100 1.100 peak 2320 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.462 ppm2 7.398 CV 1
ASSI { 2350}
(( resid 49 and name HA ))
(( resid 49 and name HN ))
2.400 0.700 0.700 peak 2350 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.440 ppm2 7.392 CV 1
ASSI { 2351}
(( resid 49 and name HB2 ))
(( resid 49 and name HN ))
2.600 0.900 0.900 peak 2351 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.527 ppm2 7.392 CV 1
ASSI { 2352}
(( resid 49 and name HB3 ))
(( resid 49 and name HN ))
2.900 1.100 1.100 peak 2352 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.079 ppm2 7.392 CV 1
ASSI { 2358}
(( resid 49 and name HB2 ))
(( resid 49 and name HA ))
2.900 1.100 1.100 peak 2358 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.527 ppm2 4.440 CV 1
ASSI { 2359}
(( resid 49 and name HB3 ))
(( resid 49 and name HA ))
2.900 1.000 1.000 peak 2359 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.079 ppm2 4.440 CV 1
ASSI { 2368}
(( resid 49 and name HB3 ))
(( resid 49 and name HB2 ))
2.700 0.900 0.900 peak 2368 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.079 ppm2 2.527 CV 1
ASSI { 2385}
(( resid 50 and name HA2 ))
(( resid 50 and name HN ))
2.300 0.700 0.700 peak 2385 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.403 ppm2 8.014 CV 1
ASSI { 2386}
(( resid 50 and name HA1 ))
(( resid 50 and name HN ))
2.600 0.900 0.900 peak 2386 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.558 ppm2 8.014 CV 1
ASSI { 2395}
(( resid 50 and name HA1 ))
(( resid 50 and name HA2 ))
2.400 0.700 0.700 peak 2395 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.558 ppm2 4.403 CV 1
ASSI { 2414}
(( resid 51 and name HA ))
(( resid 51 and name HN ))
2.300 0.700 0.700 peak 2414 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.782 ppm2 7.823 CV 1
ASSI { 2463}
(( resid 52 and name HA ))
(( resid 52 and name HN ))
2.200 2.200 3.800 peak 2463 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.467 ppm2 8.294 CV 1
ASSI { 2513}
(( resid 53 and name HA ))
(( resid 53 and name HN ))
2.100 2.100 3.900 peak 2513 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.327 ppm2 8.775 CV 1
ASSI { 2515}
(( resid 53 and name HG ))
(( resid 53 and name HN ))
4.000 2.000 2.000 peak 2515 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.192 ppm2 8.775 CV 1
ASSI { 2516}
(( resid and name ))
(( resid 53 and name HN ))
3.400 1.400 1.400 peak 2516 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.775 CV 1
ASSI { 2527}
(( resid and name ))
(( resid 53 and name HA ))
3.900 1.900 1.900 peak 2527 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.327 CV 1
ASSI { 2590}
(( resid 54 and name HA ))
(( resid 54 and name HN ))
2.000 2.000 4.000 peak 2590 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.445 ppm2 8.557 CV 1
ASSI { 2625}
(( resid 54 and name HG2% ))
(( resid 54 and name HB ))
3.200 1.300 1.300 peak 2625 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.181 ppm2 4.140 CV 1
ASSI { 2648}
(( resid 55 and name HA1 ))
(( resid 55 and name HN ))
2.300 0.700 0.700 peak 2648 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.572 ppm2 8.671 CV 1
ASSI { 2649}
(( resid 55 and name HA2 ))
(( resid 55 and name HN ))
2.200 0.600 0.600 peak 2649 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.963 ppm2 8.671 CV 1
ASSI { 2663}
(( resid 55 and name HA2 ))
(( resid 55 and name HA1 ))
2.100 0.600 0.600 peak 2663 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.963 ppm2 4.572 CV 1
ASSI { 2695}
(( resid 56 and name HA ))
(( resid 56 and name HN ))
2.300 0.600 0.600 peak 2695 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.778 ppm2 6.766 CV 1
ASSI { 2719}
(( resid 56 and name HG2% ))
(( resid 56 and name HA ))
3.700 1.700 1.700 peak 2719 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.038 ppm2 4.778 CV 1
ASSI { 2771}
(( resid 57 and name HB3 ))
(( resid 57 and name HN ))
2.700 0.900 0.900 peak 2771 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 9.142 CV 1
ASSI { 2781}
(( resid 57 and name HB2 ))
(( resid 57 and name HA ))
2.700 0.900 0.900 peak 2781 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 5.340 CV 1
ASSI { 2782}
(( resid 57 and name HB3 ))
(( resid 57 and name HA ))
2.500 0.800 0.800 peak 2782 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 5.340 CV 1
ASSI { 2803}
(( resid 57 and name HB3 ))
(( resid 57 and name HB2 ))
2.600 0.800 0.800 peak 2803 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.528 ppm2 2.453 CV 1
ASSI { 2828}
(( resid 58 and name HA ))
(( resid 58 and name HN ))
2.100 2.100 3.900 peak 2828 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.670 ppm2 9.257 CV 1
ASSI { 2829}
(( resid 58 and name HB ))
(( resid 58 and name HN ))
2.300 2.300 3.700 peak 2829 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.282 ppm2 9.257 CV 1
ASSI { 2830}
(( resid 58 and name HG2% ))
(( resid 58 and name HN ))
3.100 1.200 1.200 peak 2830 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 9.257 CV 1
ASSI { 2848}
(( resid 58 and name HB ))
(( resid 58 and name HA ))
2.500 0.800 0.800 peak 2848 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.282 ppm2 4.670 CV 1
ASSI { 2887}
(( resid 59 and name HA ))
(( resid 59 and name HN ))
2.100 2.100 3.900 peak 2887 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.498 ppm2 8.862 CV 1
ASSI { 2888}
(( resid 59 and name HB2 ))
(( resid 59 and name HN ))
2.800 1.000 1.000 peak 2888 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.301 ppm2 8.862 CV 1
ASSI { 2889}
(( resid 59 and name HB3 ))
(( resid 59 and name HN ))
2.300 0.700 0.700 peak 2889 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 8.862 CV 1
ASSI { 2898}
(( resid 59 and name HB2 ))
(( resid 59 and name HA ))
2.500 0.800 0.800 peak 2898 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.301 ppm2 5.498 CV 1
ASSI { 2899}
(( resid 59 and name HB3 ))
(( resid 59 and name HA ))
2.900 1.100 1.100 peak 2899 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 5.498 CV 1
ASSI { 2900}
(( resid 59 and name HG2 ))
(( resid 59 and name HA ))
3.100 1.200 1.200 peak 2900 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.625 ppm2 5.498 CV 1
ASSI { 2920}
(( resid 59 and name HB3 ))
(( resid 59 and name HB2 ))
2.600 0.800 0.800 peak 2920 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.136 ppm2 2.301 CV 1
ASSI { 2921}
(( resid 59 and name HG2 ))
(( resid 59 and name HB2 ))
3.400 1.500 1.500 peak 2921 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.625 ppm2 2.301 CV 1
ASSI { 2922}
(( resid 59 and name HE% ))
(( resid 59 and name HB2 ))
3.900 1.900 1.900 peak 2922 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.848 ppm2 2.301 CV 1
ASSI { 2933}
(( resid 59 and name HG2 ))
(( resid 59 and name HB3 ))
2.800 1.000 1.000 peak 2933 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.625 ppm2 2.136 CV 1
ASSI { 2941}
(( resid 59 and name HE% ))
(( resid 59 and name HG2 ))
3.200 1.300 1.300 peak 2941 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.848 ppm2 2.625 CV 1
ASSI { 2972}
(( resid 60 and name HA ))
(( resid 60 and name HN ))
2.100 2.100 3.900 peak 2972 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.684 ppm2 9.095 CV 1
ASSI { 2973}
(( resid 60 and name HB2 ))
(( resid 60 and name HN ))
2.700 0.900 0.900 peak 2973 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.055 ppm2 9.095 CV 1
ASSI { 2974}
(( resid 60 and name HB3 ))
(( resid 60 and name HN ))
2.500 0.800 0.800 peak 2974 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.922 ppm2 9.095 CV 1
ASSI { 2989}
(( resid 60 and name HB2 ))
(( resid 60 and name HA ))
2.700 0.900 0.900 peak 2989 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.055 ppm2 4.684 CV 1
ASSI { 2990}
(( resid 60 and name HB3 ))
(( resid 60 and name HA ))
3.200 1.300 1.300 peak 2990 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.922 ppm2 4.684 CV 1
ASSI { 2998}
(( resid 60 and name HB3 ))
(( resid 60 and name HB2 ))
2.800 1.000 1.000 peak 2998 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.922 ppm2 2.055 CV 1
ASSI { 3023}
(( resid 61 and name HA1 ))
(( resid 61 and name HN ))
2.200 0.600 0.600 peak 3023 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.765 ppm2 9.042 CV 1
ASSI { 3024}
(( resid 61 and name HA2 ))
(( resid 61 and name HN ))
2.600 0.800 0.800 peak 3024 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 9.042 CV 1
ASSI { 3037}
(( resid 61 and name HA2 ))
(( resid 61 and name HA1 ))
2.300 0.700 0.700 peak 3037 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.107 ppm2 3.765 CV 1
ASSI { 3059}
(( resid 62 and name HA ))
(( resid 62 and name HN ))
2.300 0.600 0.600 peak 3059 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.913 ppm2 8.810 CV 1
ASSI { 3061}
(( resid 62 and name HB2 ))
(( resid 62 and name HN ))
2.500 2.500 3.500 peak 3061 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.989 ppm2 8.810 CV 1
ASSI { 3069}
(( resid 62 and name HB3 ))
(( resid 62 and name HA ))
2.600 0.800 0.800 peak 3069 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.191 ppm2 4.913 CV 1
ASSI { 3070}
(( resid 62 and name HB2 ))
(( resid 62 and name HA ))
2.800 1.000 1.000 peak 3070 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.989 ppm2 4.913 CV 1
ASSI { 3082}
(( resid 62 and name HB2 ))
(( resid 62 and name HB3 ))
2.500 0.800 0.800 peak 3082 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.989 ppm2 3.191 CV 1
ASSI { 3106}
(( resid 63 and name HA ))
(( resid 63 and name HN ))
2.100 2.100 3.900 peak 3106 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.185 ppm2 8.016 CV 1
ASSI { 3107}
(( resid and name ))
(( resid 63 and name HN ))
2.600 2.600 3.400 peak 3107 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.016 CV 1
ASSI { 3118}
(( resid and name ))
(( resid 63 and name HA ))
2.900 1.000 1.000 peak 3118 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.185 CV 1
ASSI { 3174}
(( resid 64 and name HG ))
(( resid 64 and name HA ))
3.000 1.100 1.100 peak 3174 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 5.039 CV 1
ASSI { 3238}
(( resid 65 and name HA ))
(( resid 65 and name HN ))
2.100 2.100 3.900 peak 3238 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.863 ppm2 9.376 CV 1
ASSI { 3265}
(( resid and name ))
(( resid 65 and name HB ))
3.700 1.700 1.700 peak 3265 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.996 CV 1
ASSI { 3292}
(( resid 66 and name HA1 ))
(( resid 66 and name HN ))
2.200 0.600 0.600 peak 3292 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.805 ppm2 10.13 CV 1
ASSI { 3293}
(( resid 66 and name HA2 ))
(( resid 66 and name HN ))
2.400 0.700 0.700 peak 3293 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 10.13 CV 1
ASSI { 3310}
(( resid 66 and name HA2 ))
(( resid 66 and name HA1 ))
2.400 0.700 0.700 peak 3310 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.434 ppm2 1.805 CV 1
ASSI { 3337}
(( resid 67 and name HA ))
(( resid 67 and name HN ))
2.200 0.600 0.600 peak 3337 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.554 ppm2 7.491 CV 1
ASSI { 3338}
(( resid 67 and name HB2 ))
(( resid 67 and name HN ))
3.000 1.100 1.100 peak 3338 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.475 ppm2 7.491 CV 1
ASSI { 3339}
(( resid 67 and name HB3 ))
(( resid 67 and name HN ))
2.700 0.900 0.900 peak 3339 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 7.491 CV 1
ASSI { 3350}
(( resid 67 and name HB2 ))
(( resid 67 and name HA ))
2.700 0.900 0.900 peak 3350 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.475 ppm2 4.554 CV 1
ASSI { 3351}
(( resid 67 and name HB3 ))
(( resid 67 and name HA ))
3.300 1.400 1.400 peak 3351 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 4.554 CV 1
ASSI { 3365}
(( resid 67 and name HB3 ))
(( resid 67 and name HB2 ))
2.900 1.100 1.100 peak 3365 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.600 ppm2 1.475 CV 1
ASSI { 3390}
(( resid 68 and name HA ))
(( resid 68 and name HN ))
2.100 2.100 3.900 peak 3390 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.443 ppm2 8.457 CV 1
ASSI { 3391}
(( resid 68 and name HB2 ))
(( resid 68 and name HN ))
2.300 2.300 3.700 peak 3391 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 8.457 CV 1
ASSI { 3392}
(( resid 68 and name HB3 ))
(( resid 68 and name HN ))
2.700 0.900 0.900 peak 3392 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 8.457 CV 1
ASSI { 3417}
(( resid 68 and name HB2 ))
(( resid 68 and name HA ))
2.600 0.900 0.900 peak 3417 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.003 ppm2 5.443 CV 1
ASSI { 3418}
(( resid 68 and name HB3 ))
(( resid 68 and name HA ))
2.500 0.800 0.800 peak 3418 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 5.443 CV 1
ASSI { 3432}
(( resid 68 and name HB3 ))
(( resid 68 and name HB2 ))
2.400 0.700 0.700 peak 3432 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.859 ppm2 3.003 CV 1
ASSI { 3552}
(( resid 71 and name HA ))
(( resid 71 and name HN ))
2.400 0.700 0.700 peak 3552 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.712 ppm2 8.277 CV 1
ASSI { 3562}
(( resid 71 and name HB ))
(( resid 71 and name HA ))
3.100 1.200 1.200 peak 3562 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.993 ppm2 3.712 CV 1
ASSI { 3595}
(( resid 72 and name HB3 ))
(( resid 72 and name HN ))
2.800 1.000 1.000 peak 3595 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 9.015 CV 1
ASSI { 3605}
(( resid 72 and name HB3 ))
(( resid 72 and name HA ))
3.400 1.500 1.500 peak 3605 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.773 ppm2 4.311 CV 1
ASSI { 3606}
(( resid 72 and name HB2 ))
(( resid 72 and name HA ))
3.000 1.100 1.100 peak 3606 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 4.311 CV 1
ASSI { 3619}
(( resid 72 and name HB2 ))
(( resid 72 and name HB3 ))
3.100 3.100 2.900 peak 3619 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 1.773 CV 1
ASSI { 3641}
(( resid 73 and name HB3 ))
(( resid 73 and name HN ))
2.500 2.500 3.500 peak 3641 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.267 ppm2 8.442 CV 1
ASSI { 3642}
(( resid 73 and name HB2 ))
(( resid 73 and name HN ))
2.700 0.900 0.900 peak 3642 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.683 ppm2 8.442 CV 1
ASSI { 3653}
(( resid 73 and name HB3 ))
(( resid 73 and name HA ))
2.900 1.100 1.100 peak 3653 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.267 ppm2 4.865 CV 1
ASSI { 3654}
(( resid 73 and name HB2 ))
(( resid 73 and name HA ))
2.700 0.900 0.900 peak 3654 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.683 ppm2 4.865 CV 1
ASSI { 3664}
(( resid 73 and name HB2 ))
(( resid 73 and name HB3 ))
2.600 0.800 0.800 peak 3664 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.683 ppm2 3.267 CV 1
ASSI { 3692}
(( resid 74 and name HA1 ))
(( resid 74 and name HN ))
2.500 0.800 0.800 peak 3692 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.142 ppm2 7.951 CV 1
ASSI { 3693}
(( resid 74 and name HA2 ))
(( resid 74 and name HN ))
2.100 0.600 0.600 peak 3693 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.956 ppm2 7.951 CV 1
ASSI { 3702}
(( resid 74 and name HA2 ))
(( resid 74 and name HA1 ))
2.300 0.700 0.700 peak 3702 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.956 ppm2 4.142 CV 1
ASSI { 3727}
(( resid 75 and name HD2 ))
(( resid 75 and name HN ))
2.100 2.100 3.900 peak 3727 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.955 ppm2 8.164 CV 1
ASSI { 3740}
(( resid 75 and name HD2 ))
(( resid 75 and name HA ))
3.600 1.600 1.600 peak 3740 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.955 ppm2 4.323 CV 1
ASSI { 3782}
(( resid 76 and name HA ))
(( resid 76 and name HN ))
2.200 0.600 0.600 peak 3782 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.963 ppm2 8.486 CV 1
ASSI { 3783}
(( resid 76 and name HB3 ))
(( resid 76 and name HN ))
2.900 1.100 1.100 peak 3783 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.071 ppm2 8.486 CV 1
ASSI { 3795}
(( resid 76 and name HB3 ))
(( resid 76 and name HA ))
2.500 0.800 0.800 peak 3795 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.071 ppm2 4.963 CV 1
ASSI { 3831}
(( resid 77 and name HA ))
(( resid 77 and name HN ))
2.100 2.100 3.900 peak 3831 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.116 ppm2 8.726 CV 1
ASSI { 3832}
(( resid 77 and name HG ))
(( resid 77 and name HN ))
3.100 3.100 2.900 peak 3832 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.622 ppm2 8.726 CV 1
ASSI { 3843}
(( resid 77 and name HD1% ))
(( resid 77 and name HA ))
3.700 1.700 1.700 peak 3843 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.588 ppm2 5.116 CV 1
ASSI { 3844}
(( resid 77 and name HD2% ))
(( resid 77 and name HA ))
3.800 1.800 1.800 peak 3844 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.712 ppm2 5.116 CV 1
ASSI { 3857}
(( resid 77 and name HD1% ))
(( resid 77 and name HG ))
3.900 1.900 1.900 peak 3857 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.588 ppm2 1.622 CV 1
ASSI { 3858}
(( resid 77 and name HD2% ))
(( resid 77 and name HG ))
4.100 2.100 1.900 peak 3858 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.712 ppm2 1.622 CV 1
ASSI { 3871}
(( resid 77 and name HD2% ))
(( resid 77 and name HD1% ))
4.700 2.800 1.300 peak 3871 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.712 ppm2 0.588 CV 1
ASSI { 3894}
(( resid 78 and name HD1% ))
(( resid 78 and name HN ))
3.000 1.100 1.100 peak 3894 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 8.288 CV 1
ASSI { 3915}
(( resid 78 and name HB ))
(( resid 78 and name HA ))
2.800 1.000 1.000 peak 3915 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.908 ppm2 5.041 CV 1
ASSI { 3916}
(( resid 78 and name HG2% ))
(( resid 78 and name HA ))
3.300 1.400 1.400 peak 3916 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 5.041 CV 1
ASSI { 3917}
(( resid 78 and name HD1% ))
(( resid 78 and name HA ))
3.500 1.500 1.500 peak 3917 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 5.041 CV 1
ASSI { 3931}
(( resid 78 and name HD1% ))
(( resid 78 and name HB ))
3.600 1.700 1.700 peak 3931 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 1.908 CV 1
ASSI { 3953}
(( resid 78 and name HD1% ))
(( resid 78 and name HG2% ))
4.400 2.400 1.600 peak 3953 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.886 ppm2 0.928 CV 1
ASSI { 4021}
(( resid 80 and name HA ))
(( resid 80 and name HN ))
2.100 2.100 3.900 peak 4021 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.361 ppm2 9.079 CV 1
ASSI { 4041}
(( resid 80 and name HB ))
(( resid 80 and name HA ))
2.800 1.000 1.000 peak 4041 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.193 ppm2 5.361 CV 1
ASSI { 4043}
(( resid and name ))
(( resid 80 and name HA ))
2.900 1.100 1.100 peak 4043 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.361 CV 1
ASSI { 4090}
(( resid 81 and name HA ))
(( resid 81 and name HN ))
2.100 2.100 3.900 peak 4090 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.272 ppm2 9.372 CV 1
ASSI { 4111}
(( resid 82 and name HA ))
(( resid 82 and name HN ))
2.100 2.100 3.900 peak 4111 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.156 ppm2 8.902 CV 1
ASSI { 4133}
(( resid 82 and name HB3 ))
(( resid 82 and name HA ))
2.700 0.900 0.900 peak 4133 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 5.156 CV 1
ASSI { 4155}
(( resid 83 and name HA ))
(( resid 83 and name HN ))
2.200 2.200 3.800 peak 4155 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.694 ppm2 8.595 CV 1
ASSI { 4156}
(( resid 83 and name HB ))
(( resid 83 and name HN ))
2.600 0.800 0.800 peak 4156 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.619 ppm2 8.595 CV 1
ASSI { 4158}
(( resid 83 and name HD1% ))
(( resid 83 and name HN ))
4.400 2.400 1.600 peak 4158 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 8.595 CV 1
ASSI { 4166}
(( resid 83 and name HB ))
(( resid 83 and name HA ))
3.000 1.100 1.100 peak 4166 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.619 ppm2 4.694 CV 1
ASSI { 4167}
(( resid 83 and name HG2% ))
(( resid 83 and name HA ))
3.300 1.400 1.400 peak 4167 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.852 ppm2 4.694 CV 1
ASSI { 4168}
(( resid 83 and name HD1% ))
(( resid 83 and name HA ))
4.600 2.600 1.400 peak 4168 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 4.694 CV 1
ASSI { 4187}
(( resid 83 and name HG2% ))
(( resid 83 and name HB ))
3.800 1.800 1.800 peak 4187 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.852 ppm2 1.619 CV 1
ASSI { 4188}
(( resid 83 and name HD1% ))
(( resid 83 and name HB ))
5.500 3.700 0.500 peak 4188 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 1.619 CV 1
ASSI { 4196}
(( resid 83 and name HD1% ))
(( resid 83 and name HG2% ))
5.900 4.300 0.100 peak 4196 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.157 ppm2 0.852 CV 1
ASSI { 4227}
(( resid 84 and name HA ))
(( resid 84 and name HN ))
2.200 2.200 3.800 peak 4227 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.689 ppm2 8.967 CV 1
ASSI { 4228}
(( resid 84 and name HB3 ))
(( resid 84 and name HN ))
2.600 0.800 0.800 peak 4228 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.845 ppm2 8.967 CV 1
ASSI { 4243}
(( resid 84 and name HB3 ))
(( resid 84 and name HA ))
2.700 0.900 0.900 peak 4243 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.845 ppm2 4.689 CV 1
ASSI { 4244}
(( resid 84 and name HB2 ))
(( resid 84 and name HA ))
2.700 0.900 0.900 peak 4244 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.568 ppm2 4.689 CV 1
ASSI { 4253}
(( resid 84 and name HB2 ))
(( resid 84 and name HB3 ))
2.400 0.700 0.700 peak 4253 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.568 ppm2 3.845 CV 1
ASSI { 4285}
(( resid 85 and name HA1 ))
(( resid 85 and name HN ))
2.200 0.600 0.600 peak 4285 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.027 ppm2 9.130 CV 1
ASSI { 4286}
(( resid 85 and name HA2 ))
(( resid 85 and name HN ))
2.500 0.800 0.800 peak 4286 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.633 ppm2 9.130 CV 1
ASSI { 4297}
(( resid 85 and name HA2 ))
(( resid 85 and name HA1 ))
2.300 0.700 0.700 peak 4297 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.633 ppm2 4.027 CV 1
ASSI { 4316}
(( resid 86 and name HA ))
(( resid 86 and name HN ))
2.200 0.600 0.600 peak 4316 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.910 ppm2 8.850 CV 1
ASSI { 4317}
(( resid 86 and name HB3 ))
(( resid 86 and name HN ))
2.800 1.000 1.000 peak 4317 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.190 ppm2 8.850 CV 1
ASSI { 4318}
(( resid 86 and name HB2 ))
(( resid 86 and name HN ))
2.400 2.400 3.600 peak 4318 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.988 ppm2 8.850 CV 1
ASSI { 4329}
(( resid 86 and name HB3 ))
(( resid 86 and name HA ))
2.500 0.800 0.800 peak 4329 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.190 ppm2 4.910 CV 1
ASSI { 4330}
(( resid 86 and name HB2 ))
(( resid 86 and name HA ))
2.800 1.000 1.000 peak 4330 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.988 ppm2 4.910 CV 1
ASSI { 4339}
(( resid 86 and name HB2 ))
(( resid 86 and name HB3 ))
2.500 0.800 0.800 peak 4339 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.988 ppm2 3.190 CV 1
ASSI { 4375}
(( resid 87 and name HB2 ))
(( resid 87 and name HA ))
2.600 0.900 0.900 peak 4375 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.008 ppm2 5.275 CV 1
ASSI { 4376}
(( resid 87 and name HB3 ))
(( resid 87 and name HA ))
2.600 0.900 0.900 peak 4376 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.257 ppm2 5.275 CV 1
ASSI { 4391}
(( resid 87 and name HB3 ))
(( resid 87 and name HB2 ))
2.500 0.800 0.800 peak 4391 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.257 ppm2 2.008 CV 1
ASSI { 4424}
(( resid 88 and name HA ))
(( resid 88 and name HN ))
2.100 2.100 3.900 peak 4424 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.725 ppm2 8.662 CV 1
ASSI { 4425}
(( resid 88 and name HG ))
(( resid 88 and name HN ))
3.500 1.500 1.500 peak 4425 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.877 ppm2 8.662 CV 1
ASSI { 4449}
(( resid and name ))
(( resid 88 and name HA ))
5.700 4.000 0.300 peak 4449 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.725 CV 1
ASSI { 4464}
(( resid and name ))
(( resid 88 and name HG ))
5.800 4.100 0.200 peak 4464 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 0.877 CV 1
ASSI { 4516}
(( resid 89 and name HD1% ))
(( resid 89 and name HA ))
3.700 1.800 1.800 peak 4516 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.941 ppm2 4.566 CV 1
ASSI { 4535}
(( resid 89 and name HD1% ))
(( resid 89 and name HB ))
3.800 1.800 1.800 peak 4535 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.941 ppm2 1.983 CV 1
ASSI { 4544}
(( resid 89 and name HD1% ))
(( resid 89 and name HG2% ))
4.300 2.300 1.700 peak 4544 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.941 ppm2 1.125 CV 1
ASSI { 4571}
(( resid 90 and name HA ))
(( resid 90 and name HN ))
2.100 2.100 3.900 peak 4571 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.798 ppm2 9.514 CV 1
ASSI { 4572}
(( resid 90 and name HB2 ))
(( resid 90 and name HN ))
2.600 0.800 0.800 peak 4572 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.215 ppm2 9.514 CV 1
ASSI { 4573}
(( resid 90 and name HB3 ))
(( resid 90 and name HN ))
2.300 0.700 0.700 peak 4573 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.462 ppm2 9.514 CV 1
ASSI { 4583}
(( resid 90 and name HB2 ))
(( resid 90 and name HA ))
2.500 0.800 0.800 peak 4583 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.215 ppm2 5.798 CV 1
ASSI { 4584}
(( resid 90 and name HB3 ))
(( resid 90 and name HA ))
2.900 1.000 1.000 peak 4584 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.462 ppm2 5.798 CV 1
ASSI { 4594}
(( resid 90 and name HB3 ))
(( resid 90 and name HB2 ))
2.600 0.800 0.800 peak 4594 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.462 ppm2 2.215 CV 1
ASSI { 4619}
(( resid 91 and name HG2% ))
(( resid 91 and name HN ))
2.900 1.000 1.000 peak 4619 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 9.407 CV 1
ASSI { 4629}
(( resid 91 and name HB ))
(( resid 91 and name HA ))
2.400 0.700 0.700 peak 4629 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.031 ppm2 5.347 CV 1
ASSI { 4674}
(( resid 92 and name HA ))
(( resid 92 and name HN ))
2.000 2.000 4.000 peak 4674 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.698 ppm2 9.004 CV 1
ASSI { 4675}
(( resid 92 and name HB3 ))
(( resid 92 and name HN ))
2.900 1.100 1.100 peak 4675 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 9.004 CV 1
ASSI { 4677}
(( resid 92 and name HD% ))
(( resid 92 and name HN ))
1.700 0.400 0.500 peak 4677 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 9.004 CV 1
ASSI { 4695}
(( resid 92 and name HB3 ))
(( resid 92 and name HA ))
2.300 0.700 0.700 peak 4695 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 5.698 CV 1
ASSI { 4696}
(( resid 92 and name HB2 ))
(( resid 92 and name HA ))
2.700 0.900 0.900 peak 4696 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 5.698 CV 1
ASSI { 4697}
(( resid 92 and name HD% ))
(( resid 92 and name HA ))
2.300 2.300 3.700 peak 4697 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 5.698 CV 1
ASSI { 4698}
(( resid 92 and name HE% ))
(( resid 92 and name HA ))
1.700 1.700 4.300 peak 4698 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.619 ppm2 5.698 CV 1
ASSI { 4709}
(( resid 92 and name HD% ))
(( resid 92 and name HB3 ))
2.200 0.600 0.600 peak 4709 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 3.216 CV 1
ASSI { 4727}
(( resid 92 and name HD% ))
(( resid 92 and name HB2 ))
2.500 0.800 0.800 peak 4727 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.152 ppm2 3.011 CV 1
ASSI { 4728}
(( resid 92 and name HE% ))
(( resid 92 and name HB2 ))
1.900 1.900 4.100 peak 4728 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.619 ppm2 3.011 CV 1
ASSI { 4744}
(( resid 92 and name HE% ))
(( resid 92 and name HD% ))
2.000 0.500 0.500 peak 4744 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.619 ppm2 7.152 CV 1
ASSI { 4782}
(( resid 93 and name HB ))
(( resid 93 and name HA ))
2.500 0.800 0.800 peak 4782 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 5.332 CV 1
ASSI { 4805}
(( resid 93 and name HG2% ))
(( resid 93 and name HB ))
3.100 1.200 1.200 peak 4805 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 4.030 CV 1
ASSI { 4844}
(( resid 94 and name HB3 ))
(( resid 94 and name HA ))
2.900 1.100 1.100 peak 4844 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.998 ppm2 4.996 CV 1
ASSI { 4845}
(( resid 94 and name HB2 ))
(( resid 94 and name HA ))
2.400 0.700 0.700 peak 4845 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.049 ppm2 4.996 CV 1
ASSI { 4846}
(( resid 94 and name HD% ))
(( resid 94 and name HA ))
2.000 0.500 0.500 peak 4846 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 4.996 CV 1
ASSI { 4866}
(( resid 94 and name HB2 ))
(( resid 94 and name HB3 ))
2.400 0.700 0.700 peak 4866 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.049 ppm2 2.998 CV 1
ASSI { 4867}
(( resid 94 and name HD% ))
(( resid 94 and name HB3 ))
2.300 0.700 0.700 peak 4867 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 2.998 CV 1
ASSI { 4868}
(( resid 94 and name HE% ))
(( resid 94 and name HB3 ))
3.000 3.000 3.000 peak 4868 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.566 ppm2 2.998 CV 1
ASSI { 4879}
(( resid 94 and name HD% ))
(( resid 94 and name HB2 ))
2.500 0.800 0.800 peak 4879 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.331 ppm2 3.049 CV 1
ASSI { 4897}
(( resid 94 and name HE% ))
(( resid 94 and name HD% ))
2.000 0.500 0.500 peak 4897 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.566 ppm2 7.331 CV 1
ASSI { 4925}
(( resid 95 and name HA ))
(( resid 95 and name HN ))
2.300 0.700 0.700 peak 4925 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.660 ppm2 9.525 CV 1
ASSI { 4926}
(( resid 95 and name HB3 ))
(( resid 95 and name HN ))
3.200 1.300 1.300 peak 4926 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.015 ppm2 9.525 CV 1
ASSI { 4927}
(( resid 95 and name HB2 ))
(( resid 95 and name HN ))
2.300 2.300 3.700 peak 4927 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.686 ppm2 9.525 CV 1
ASSI { 4928}
(( resid 95 and name HG2 ))
(( resid 95 and name HN ))
2.600 0.900 0.900 peak 4928 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.359 ppm2 9.525 CV 1
ASSI { 4937}
(( resid 95 and name HB3 ))
(( resid 95 and name HA ))
3.000 1.100 1.100 peak 4937 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.015 ppm2 3.660 CV 1
ASSI { 4938}
(( resid 95 and name HB2 ))
(( resid 95 and name HA ))
3.400 1.500 1.500 peak 4938 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.686 ppm2 3.660 CV 1
ASSI { 4939}
(( resid 95 and name HG2 ))
(( resid 95 and name HA ))
3.200 1.300 1.300 peak 4939 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.359 ppm2 3.660 CV 1
ASSI { 4952}
(( resid 95 and name HB2 ))
(( resid 95 and name HB3 ))
2.900 2.900 3.100 peak 4952 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.686 ppm2 2.015 CV 1
ASSI { 4953}
(( resid 95 and name HG2 ))
(( resid 95 and name HB3 ))
3.800 1.800 1.800 peak 4953 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.359 ppm2 2.015 CV 1
ASSI { 4960}
(( resid 95 and name HG2 ))
(( resid 95 and name HB2 ))
3.700 1.700 1.700 peak 4960 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.359 ppm2 1.686 CV 1
ASSI { 4984}
(( resid 96 and name HA1 ))
(( resid 96 and name HN ))
2.600 0.800 0.800 peak 4984 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.126 ppm2 8.580 CV 1
ASSI { 4985}
(( resid 96 and name HA2 ))
(( resid 96 and name HN ))
2.300 0.600 0.600 peak 4985 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.582 ppm2 8.580 CV 1
ASSI { 4990}
(( resid 96 and name HA2 ))
(( resid 96 and name HA1 ))
2.400 0.700 0.700 peak 4990 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.582 ppm2 4.126 CV 1
ASSI { 5021}
(( resid 97 and name HB ))
(( resid 97 and name HA ))
2.900 1.000 1.000 peak 5021 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.251 ppm2 4.293 CV 1
ASSI { 5135}
(( resid 101 and name HG2 ))
(( resid 101 and name HA ))
3.500 1.500 1.500 peak 5135 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.544 ppm2 4.612 CV 1
ASSI { 5136}
(( resid 101 and name HD3 ))
(( resid 101 and name HA ))
3.300 3.300 2.700 peak 5136 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.148 ppm2 4.612 CV 1
ASSI { 5151}
(( resid 101 and name HD3 ))
(( resid 101 and name HG2 ))
3.200 1.300 1.300 peak 5151 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.148 ppm2 1.544 CV 1
ASSI { 5171}
(( resid 102 and name HG2% ))
(( resid 102 and name HN ))
2.600 0.800 0.800 peak 5171 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.592 ppm2 8.502 CV 1
ASSI { 5183}
(( resid 102 and name HG2% ))
(( resid 102 and name HA ))
3.100 1.200 1.200 peak 5183 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.592 ppm2 4.781 CV 1
ASSI { 5196}
(( resid 102 and name HD1% ))
(( resid 102 and name HB ))
3.900 1.900 1.900 peak 5196 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.942 ppm2 1.829 CV 1
ASSI { 5203}
(( resid 102 and name HD1% ))
(( resid 102 and name HG2% ))
3.900 1.900 1.900 peak 5203 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.942 ppm2 1.592 CV 1
ASSI { 5224}
(( resid 103 and name HD% ))
(( resid 103 and name HN ))
1.800 0.400 0.400 peak 5224 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.173 ppm2 9.725 CV 1
ASSI { 5234}
(( resid 103 and name HB2 ))
(( resid 103 and name HA ))
2.800 1.000 1.000 peak 5234 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 4.580 CV 1
ASSI { 5236}
(( resid 103 and name HD% ))
(( resid 103 and name HA ))
2.500 0.800 0.800 peak 5236 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.173 ppm2 4.580 CV 1
ASSI { 5237}
(( resid 103 and name HE% ))
(( resid 103 and name HA ))
1.800 1.800 4.200 peak 5237 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.011 ppm2 4.580 CV 1
ASSI { 5252}
(( resid 103 and name HB3 ))
(( resid 103 and name HB2 ))
2.300 0.700 0.700 peak 5252 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 3.534 CV 1
ASSI { 5253}
(( resid 103 and name HD% ))
(( resid 103 and name HB2 ))
2.300 0.700 0.700 peak 5253 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.173 ppm2 3.534 CV 1
ASSI { 5267}
(( resid 103 and name HD% ))
(( resid 103 and name HB3 ))
2.100 0.600 0.600 peak 5267 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.173 ppm2 3.216 CV 1
ASSI { 5278}
(( resid 103 and name HE% ))
(( resid 103 and name HD% ))
1.900 0.500 0.500 peak 5278 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.011 ppm2 7.173 CV 1
ASSI { 5303}
(( resid 104 and name HB2 ))
(( resid 104 and name HN ))
2.400 2.400 3.600 peak 5303 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 8.765 CV 1
ASSI { 5320}
(( resid 104 and name HB2 ))
(( resid 104 and name HA ))
2.700 0.900 0.900 peak 5320 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 5.383 CV 1
ASSI { 5321}
(( resid 104 and name HB3 ))
(( resid 104 and name HA ))
2.500 0.800 0.800 peak 5321 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 5.383 CV 1
ASSI { 5332}
(( resid 104 and name HB3 ))
(( resid 104 and name HB2 ))
2.600 0.900 0.900 peak 5332 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 2.124 CV 1
ASSI { 5364}
(( resid 105 and name HB3 ))
(( resid 105 and name HN ))
2.600 0.800 0.800 peak 5364 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 8.686 CV 1
ASSI { 5381}
(( resid 105 and name HB2 ))
(( resid 105 and name HA ))
2.600 0.900 0.900 peak 5381 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 4.012 CV 1
ASSI { 5382}
(( resid 105 and name HB3 ))
(( resid 105 and name HA ))
3.200 1.300 1.300 peak 5382 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 4.012 CV 1
ASSI { 5398}
(( resid 105 and name HB3 ))
(( resid 105 and name HB2 ))
2.900 2.900 3.100 peak 5398 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.605 ppm2 1.506 CV 1
ASSI { 5420}
(( resid 106 and name HA ))
(( resid 106 and name HN ))
2.200 0.600 0.600 peak 5420 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.178 ppm2 8.431 CV 1
ASSI { 6}
(( resid 2 and name HB3 ))
(( resid 2 and name HB2 ))
2.500 0.800 0.800 peak 6 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.075 ppm2 3.197 CV 1
ASSI { 25}
(( resid 2 and name HB2 ))
(( resid 2 and name HN ))
2.500 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.197 ppm2 7.890 CV 1
ASSI { 400}
(( resid 2 and name HB3 ))
(( resid 2 and name HN ))
0.000 0.000 6.000 peak 400 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.075 ppm2 7.890 CV 1
ASSI { 30}
(( resid 2 and name HB3 ))
(( resid 2 and name HA ))
2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.075 ppm2 4.368 CV 1
ASSI { 402}
(( resid 2 and name HB2 ))
(( resid 2 and name HA ))
0.000 0.000 6.000 peak 402 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.197 ppm2 4.368 CV 1
ASSI { 45}
(( resid 3 and name HA ))
(( resid 3 and name HN ))
2.300 0.600 0.600 peak 45 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.560 ppm2 7.895 CV 1
ASSI { 404}
(( resid and name ))
(( resid 3 and name HN ))
0.000 0.000 6.000 peak 404 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 7.895 CV 1
ASSI { 405}
(( resid and name ))
(( resid 3 and name HA ))
0.000 0.000 6.000 peak 405 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.560 CV 1
ASSI { 78}
(( resid 5 and name HB ))
(( resid 5 and name HN ))
2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.948 ppm2 8.331 CV 1
ASSI { 82}
(( resid 5 and name HB ))
(( resid 5 and name HA ))
2.600 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.948 ppm2 5.285 CV 1
ASSI { 83}
(( resid 5 and name HG2% ))
(( resid 5 and name HA ))
3.200 1.300 1.300 peak 83 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 5.285 CV 1
ASSI { 91}
(( resid 5 and name HG2% ))
(( resid 5 and name HB ))
3.400 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 3.948 CV 1
ASSI { 99}
(( resid 6 and name HB2 ))
(( resid 6 and name HN ))
2.300 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.236 ppm2 9.399 CV 1
ASSI { 143}
(( resid 7 and name HA ))
(( resid 7 and name HN ))
2.100 2.100 3.900 peak 143 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.950 ppm2 9.796 CV 1
ASSI { 155}
(( resid 7 and name HG3 ))
(( resid 7 and name HA ))
3.300 1.400 1.400 peak 155 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.536 ppm2 5.950 CV 1
ASSI { 165}
(( resid 7 and name HB2 ))
(( resid 7 and name HB3 ))
2.800 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.980 ppm2 2.039 CV 1
ASSI { 421}
(( resid 7 and name HG3 ))
(( resid 7 and name HB3 ))
0.000 0.000 6.000 peak 421 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.536 ppm2 2.039 CV 1
ASSI { 422}
(( resid 7 and name HG3 ))
(( resid 7 and name HB2 ))
0.000 0.000 6.000 peak 422 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.536 ppm2 1.980 CV 1
ASSI { 423}
(( resid and name ))
(( resid 7 and name HB2 ))
0.000 0.000 6.000 peak 423 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 1.980 CV 1
ASSI { 208}
(( resid 8 and name HB ))
(( resid 8 and name HA ))
2.900 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.402 ppm2 4.436 CV 1
ASSI { 215}
(( resid 11 and name HA ))
(( resid 11 and name HN ))
2.400 0.700 0.700 peak 215 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.160 ppm2 8.491 CV 1
ASSI { 246}
(( resid 12 and name HE3 ))
(( resid 12 and name HA ))
2.400 2.400 3.600 peak 246 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.690 ppm2 4.378 CV 1
ASSI { 430}
(( resid and name ))
(( resid 13 and name HN ))
0.000 0.000 6.000 peak 430 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.542 CV 1
ASSI { 431}
(( resid and name ))
(( resid 13 and name HA ))
0.000 0.000 6.000 peak 431 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.464 CV 1
ASSI { 274}
(( resid 13 and name HG ))
(( resid 13 and name HA ))
3.000 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.219 ppm2 5.464 CV 1
ASSI { 323}
(( resid 14 and name HG2% ))
(( resid 14 and name HB ))
3.200 1.300 1.300 peak 323 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.278 ppm2 4.087 CV 1
ASSI { 343}
(( resid 15 and name HG2% ))
(( resid 15 and name HB ))
3.500 1.500 1.500 peak 343 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.330 ppm2 1.923 CV 1
ASSI { 362}
(( resid 16 and name HB ))
(( resid 16 and name HN ))
2.500 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.997 ppm2 8.758 CV 1
ASSI { 363}
(( resid 16 and name HG2% ))
(( resid 16 and name HN ))
6.000 5.500 0.000 peak 363 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.015 ppm2 8.758 CV 1
ASSI { 370}
(( resid 16 and name HG2% ))
(( resid 16 and name HA ))
6.000 5.900 0.000 peak 370 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.015 ppm2 4.730 CV 1
ASSI { 375}
(( resid 16 and name HG2% ))
(( resid 16 and name HB ))
6.000 6.000 0.000 peak 375 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.015 ppm2 3.997 CV 1
ASSI { 379}
(( resid 17 and name HB3 ))
(( resid 17 and name HN ))
3.000 1.100 1.100 peak 379 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 9.073 CV 1
ASSI { 383}
(( resid 17 and name HB3 ))
(( resid 17 and name HA ))
3.400 1.500 1.500 peak 383 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.044 ppm2 4.230 CV 1
ASSI { 431}
(( resid 20 and name HB2 ))
(( resid 20 and name HN ))
2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.995 ppm2 8.857 CV 1
ASSI { 528}
(( resid 23 and name HA ))
(( resid 23 and name HN ))
2.300 0.600 0.600 peak 528 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.806 ppm2 8.311 CV 1
ASSI { 529}
(( resid 23 and name HB ))
(( resid 23 and name HN ))
2.400 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.995 ppm2 8.311 CV 1
ASSI { 534}
(( resid 23 and name HB ))
(( resid 23 and name HA ))
2.600 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.995 ppm2 4.806 CV 1
ASSI { 552}
(( resid 23 and name HG2% ))
(( resid 23 and name HA ))
3.500 1.500 1.500 peak 552 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.121 ppm2 4.806 CV 1
ASSI { 559}
(( resid 24 and name HB ))
(( resid 24 and name HN ))
2.400 0.700 0.700 peak 559 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.373 ppm2 9.432 CV 1
ASSI { 560}
(( resid 24 and name HG1% ))
(( resid 24 and name HN ))
3.700 1.700 1.700 peak 560 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.019 ppm2 9.432 CV 1
ASSI { 561}
(( resid 24 and name HG2% ))
(( resid 24 and name HN ))
3.000 1.100 1.100 peak 561 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 9.432 CV 1
ASSI { 573}
(( resid 24 and name HG1% ))
(( resid 24 and name HA ))
3.200 1.300 1.300 peak 573 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.019 ppm2 5.034 CV 1
ASSI { 574}
(( resid 24 and name HG2% ))
(( resid 24 and name HA ))
3.200 1.300 1.300 peak 574 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 5.034 CV 1
ASSI { 579}
(( resid 24 and name HG1% ))
(( resid 24 and name HB ))
3.600 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.019 ppm2 2.373 CV 1
ASSI { 580}
(( resid 24 and name HG2% ))
(( resid 24 and name HB ))
3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.901 ppm2 2.373 CV 1
ASSI { 586}
(( resid 25 and name HA ))
(( resid 25 and name HN ))
2.200 2.200 3.800 peak 586 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.342 ppm2 9.163 CV 1
ASSI { 598}
(( resid 26 and name HA ))
(( resid 26 and name HN ))
2.300 0.700 0.700 peak 598 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.478 ppm2 9.322 CV 1
ASSI { 612}
(( resid 27 and name HB2 ))
(( resid 27 and name HA ))
2.900 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.868 ppm2 5.566 CV 1
ASSI { 662}
(( resid 30 and name HN ))
(( resid 30 and name HA ))
2.500 0.800 0.800 peak 662 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.154 ppm2 4.617 CV 1
ASSI { 667}
(( resid 30 and name HN ))
(( resid 30 and name HB2 ))
2.800 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.154 ppm2 3.104 CV 1
ASSI { 670}
(( resid 31 and name HA ))
(( resid 31 and name HN ))
2.500 0.800 0.800 peak 670 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.641 ppm2 7.625 CV 1
ASSI { 671}
(( resid 31 and name HB3 ))
(( resid 31 and name HN ))
3.200 1.300 1.300 peak 671 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.873 ppm2 7.625 CV 1
ASSI { 489}
(( resid 31 and name HB3 ))
(( resid 31 and name HA ))
0.000 0.000 6.000 peak 489 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.873 ppm2 4.641 CV 1
ASSI { 490}
(( resid 32 and name HB3 ))
(( resid 32 and name HN ))
0.000 0.000 6.000 peak 490 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.776 ppm2 8.691 CV 1
ASSI { 711}
(( resid 33 and name HG2% ))
(( resid 33 and name HB ))
3.600 1.600 1.600 peak 711 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.610 ppm2 1.982 CV 1
ASSI { 724}
(( resid 35 and name HB ))
(( resid 35 and name HN ))
2.600 0.800 0.800 peak 724 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.361 ppm2 9.146 CV 1
ASSI { 725}
(( resid 35 and name HG1% ))
(( resid 35 and name HN ))
3.500 1.500 1.500 peak 725 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.199 ppm2 9.146 CV 1
ASSI { 726}
(( resid 35 and name HG2% ))
(( resid 35 and name HN ))
3.100 1.200 1.200 peak 726 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.970 ppm2 9.146 CV 1
ASSI { 730}
(( resid 35 and name HB ))
(( resid 35 and name HA ))
2.900 1.100 1.100 peak 730 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.361 ppm2 4.605 CV 1
ASSI { 735}
(( resid 35 and name HG1% ))
(( resid 35 and name HB ))
3.500 1.600 1.600 peak 735 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.199 ppm2 2.361 CV 1
ASSI { 736}
(( resid 35 and name HG2% ))
(( resid 35 and name HB ))
3.700 1.700 1.700 peak 736 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.970 ppm2 2.361 CV 1
ASSI { 740}
(( resid 36 and name HB ))
(( resid 36 and name HN ))
2.800 1.000 1.000 peak 740 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 8.168 CV 1
ASSI { 741}
(( resid 36 and name HG2% ))
(( resid 36 and name HN ))
4.100 2.100 1.900 peak 741 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 8.168 CV 1
ASSI { 742}
(( resid 36 and name HG1% ))
(( resid 36 and name HN ))
3.000 1.100 1.100 peak 742 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 8.168 CV 1
ASSI { 744}
(( resid 36 and name HB ))
(( resid 36 and name HA ))
2.800 1.000 1.000 peak 744 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.965 ppm2 5.131 CV 1
ASSI { 745}
(( resid 36 and name HG2% ))
(( resid 36 and name HA ))
3.400 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 5.131 CV 1
ASSI { 746}
(( resid 36 and name HG1% ))
(( resid 36 and name HA ))
3.900 1.900 1.900 peak 746 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 5.131 CV 1
ASSI { 752}
(( resid 36 and name HG2% ))
(( resid 36 and name HB ))
3.900 1.900 1.900 peak 752 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 1.965 CV 1
ASSI { 753}
(( resid 36 and name HG1% ))
(( resid 36 and name HB ))
3.900 1.900 1.900 peak 753 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.007 ppm2 1.965 CV 1
ASSI { 755}
(( resid 37 and name HA ))
(( resid 37 and name HN ))
2.300 0.700 0.700 peak 755 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.809 ppm2 8.317 CV 1
ASSI { 756}
(( resid 37 and name HB3 ))
(( resid 37 and name HN ))
2.700 0.900 0.900 peak 756 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.676 ppm2 8.317 CV 1
ASSI { 758}
(( resid 37 and name HE% ))
(( resid 37 and name HN ))
2.400 2.400 3.600 peak 758 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.254 ppm2 8.317 CV 1
ASSI { 816}
(( resid 39 and name HN ))
(( resid 39 and name HD1% ))
4.200 2.300 1.800 peak 816 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.826 ppm2 0.749 CV 1
ASSI { 817}
(( resid 39 and name HD1% ))
(( resid 39 and name HA ))
4.200 2.200 1.800 peak 817 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.749 ppm2 4.593 CV 1
ASSI { 818}
(( resid 39 and name HA ))
(( resid 39 and name HN ))
2.300 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.593 ppm2 8.826 CV 1
ASSI { 951}
(( resid 41 and name HB ))
(( resid 41 and name HA ))
3.000 1.200 1.200 peak 951 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.378 ppm2 4.398 CV 1
ASSI { 953}
(( resid 41 and name HG1% ))
(( resid 41 and name HA ))
3.500 1.500 1.500 peak 953 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 4.398 CV 1
ASSI { 958}
(( resid 41 and name HG1% ))
(( resid 41 and name HB ))
3.700 1.700 1.700 peak 958 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.216 ppm2 2.378 CV 1
ASSI { 525}
(( resid and name ))
(( resid 42 and name HA ))
0.000 0.000 6.000 peak 525 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.870 CV 1
ASSI { 988}
(( resid 43 and name HE% ))
(( resid 43 and name HN ))
2.400 2.400 3.600 peak 988 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 7.053 ppm2 9.527 CV 1
ASSI { 1004}
(( resid 44 and name HB% ))
(( resid 44 and name HN ))
2.900 1.100 1.100 peak 1004 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.519 ppm2 8.155 CV 1
ASSI { 1009}
(( resid 44 and name HB% ))
(( resid 44 and name HA ))
3.000 1.200 1.200 peak 1009 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.519 ppm2 5.234 CV 1
ASSI { 1036}
(( resid 45 and name HE% ))
(( resid 45 and name HB3 ))
3.400 1.400 1.400 peak 1036 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.153 ppm2 2.950 CV 1
ASSI { 1042}
(( resid 46 and name HA ))
(( resid 46 and name HN ))
2.400 0.700 0.700 peak 1042 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.226 ppm2 7.645 CV 1
ASSI { 1090}
(( resid 48 and name HB% ))
(( resid 48 and name HA ))
3.300 1.400 1.400 peak 1090 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.462 ppm2 3.946 CV 1
ASSI { 1104}
(( resid 51 and name HB ))
(( resid 51 and name HN ))
3.100 1.200 1.200 peak 1104 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.994 ppm2 7.823 CV 1
ASSI { 1105}
(( resid 51 and name HG2% ))
(( resid 51 and name HN ))
3.300 1.400 1.400 peak 1105 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 7.823 CV 1
ASSI { 1109}
(( resid 51 and name HB ))
(( resid 51 and name HA ))
3.100 1.200 1.200 peak 1109 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.994 ppm2 3.782 CV 1
ASSI { 1111}
(( resid 51 and name HG2% ))
(( resid 51 and name HA ))
3.700 1.700 1.700 peak 1111 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 3.782 CV 1
ASSI { 1122}
(( resid 51 and name HG2% ))
(( resid 51 and name HB ))
3.900 1.900 1.900 peak 1122 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.965 ppm2 1.994 CV 1
ASSI { 550}
(( resid and name ))
(( resid 52 and name HN ))
0.000 0.000 6.000 peak 550 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.294 CV 1
ASSI { 1149}
(( resid and name ))
(( resid 52 and name HA ))
3.000 1.200 1.200 peak 1149 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.467 CV 1
ASSI { 1167}
(( resid 53 and name HB3 ))
(( resid 53 and name HA ))
3.000 1.100 1.100 peak 1167 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.213 ppm2 5.327 CV 1
ASSI { 1168}
(( resid 53 and name HG ))
(( resid 53 and name HA ))
4.500 2.500 1.500 peak 1168 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.192 ppm2 5.327 CV 1
ASSI { 1184}
(( resid 53 and name HG ))
(( resid 53 and name HB3 ))
5.300 3.500 0.700 peak 1184 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.192 ppm2 1.213 CV 1
ASSI { 1203}
(( resid 54 and name HB ))
(( resid 54 and name HN ))
2.300 0.700 0.700 peak 1203 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.140 ppm2 8.557 CV 1
ASSI { 1205}
(( resid 54 and name HG2% ))
(( resid 54 and name HN ))
3.200 1.300 1.300 peak 1205 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.181 ppm2 8.557 CV 1
ASSI { 1214}
(( resid 54 and name HB ))
(( resid 54 and name HA ))
2.600 0.800 0.800 peak 1214 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.140 ppm2 5.445 CV 1
ASSI { 1216}
(( resid 54 and name HG2% ))
(( resid 54 and name HA ))
3.200 1.300 1.300 peak 1216 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.181 ppm2 5.445 CV 1
ASSI { 1241}
(( resid 56 and name HB ))
(( resid 56 and name HN ))
2.600 0.900 0.900 peak 1241 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 6.766 CV 1
ASSI { 1243}
(( resid 56 and name HG2% ))
(( resid 56 and name HN ))
3.100 1.200 1.200 peak 1243 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.038 ppm2 6.766 CV 1
ASSI { 1250}
(( resid 56 and name HB ))
(( resid 56 and name HA ))
2.600 0.800 0.800 peak 1250 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.837 ppm2 4.778 CV 1
ASSI { 1256}
(( resid 56 and name HG2% ))
(( resid 56 and name HB ))
3.500 1.500 1.500 peak 1256 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.038 ppm2 3.837 CV 1
ASSI { 564}
(( resid 57 and name HB2 ))
(( resid 57 and name HN ))
0.000 0.000 6.000 peak 564 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.453 ppm2 9.142 CV 1
ASSI { 1270}
(( resid 57 and name HN ))
(( resid 57 and name HA ))
2.200 2.200 3.800 peak 1270 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.142 ppm2 5.340 CV 1
ASSI { 1293}
(( resid 58 and name HG2% ))
(( resid 58 and name HA ))
3.200 1.200 1.200 peak 1293 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 4.670 CV 1
ASSI { 1297}
(( resid 58 and name HG2% ))
(( resid 58 and name HB ))
3.300 1.400 1.400 peak 1297 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.247 ppm2 4.282 CV 1
ASSI { 1309}
(( resid 59 and name HE% ))
(( resid 59 and name HA ))
4.000 2.000 2.000 peak 1309 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.848 ppm2 5.498 CV 1
ASSI { 1338}
(( resid and name ))
(( resid 60 and name HA ))
3.500 1.500 1.500 peak 1338 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.684 CV 1
ASSI { 1353}
(( resid 62 and name HB3 ))
(( resid 62 and name HN ))
2.900 1.000 1.000 peak 1353 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.191 ppm2 8.810 CV 1
ASSI { 1369}
(( resid 63 and name HG3 ))
(( resid 63 and name HN ))
2.900 2.900 3.100 peak 1369 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.424 ppm2 8.016 CV 1
ASSI { 587}
(( resid 63 and name HE3 ))
(( resid 63 and name HA ))
0.000 0.000 6.000 peak 587 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.974 ppm2 5.185 CV 1
ASSI { 1402}
(( resid 64 and name HA ))
(( resid 64 and name HN ))
2.200 2.200 3.800 peak 1402 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.039 ppm2 8.812 CV 1
ASSI { 589}
(( resid and name ))
(( resid 64 and name HN ))
0.000 0.000 6.000 peak 589 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.812 CV 1
ASSI { 1404}
(( resid 64 and name HG ))
(( resid 64 and name HN ))
3.400 1.500 1.500 peak 1404 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.905 ppm2 8.812 CV 1
ASSI { 1437}
(( resid 65 and name HB ))
(( resid 65 and name HN ))
2.600 0.900 0.900 peak 1437 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.996 ppm2 9.376 CV 1
ASSI { 1438}
(( resid and name ))
(( resid 65 and name HN ))
3.300 1.400 1.400 peak 1438 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.376 CV 1
ASSI { 1442}
(( resid 65 and name HB ))
(( resid 65 and name HA ))
3.000 1.100 1.100 peak 1442 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.996 ppm2 4.863 CV 1
ASSI { 1443}
(( resid and name ))
(( resid 65 and name HA ))
3.300 1.400 1.400 peak 1443 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.863 CV 1
ASSI { 1513}
(( resid 69 and name HA ))
(( resid 69 and name HN ))
2.100 2.100 3.900 peak 1513 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.099 ppm2 9.206 CV 1
ASSI { 1514}
(( resid and name ))
(( resid 69 and name HN ))
2.800 1.000 1.000 peak 1514 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.206 CV 1
ASSI { 1575}
(( resid 70 and name HA ))
(( resid 70 and name HN ))
2.400 0.700 0.700 peak 1575 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.528 ppm2 8.962 CV 1
ASSI { 1576}
(( resid and name ))
(( resid 70 and name HA ))
3.700 1.700 1.700 peak 1576 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.528 CV 1
ASSI { 1580}
(( resid and name ))
(( resid 70 and name HN ))
3.200 3.200 2.800 peak 1580 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.962 CV 1
ASSI { 1590}
(( resid 71 and name HB ))
(( resid 71 and name HN ))
2.800 1.000 1.000 peak 1590 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.993 ppm2 8.277 CV 1
ASSI { 1603}
(( resid 72 and name HB2 ))
(( resid 72 and name HN ))
2.900 1.100 1.100 peak 1603 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.513 ppm2 9.015 CV 1
ASSI { 1604}
(( resid 72 and name HA ))
(( resid 72 and name HN ))
2.400 0.700 0.700 peak 1604 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.311 ppm2 9.015 CV 1
ASSI { 1612}
(( resid 73 and name HA ))
(( resid 73 and name HN ))
2.400 0.700 0.700 peak 1612 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.865 ppm2 8.442 CV 1
ASSI { 1636}
(( resid 75 and name HA ))
(( resid 75 and name HN ))
2.400 0.700 0.700 peak 1636 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.323 ppm2 8.164 CV 1
ASSI { 1637}
(( resid and name ))
(( resid 75 and name HN ))
2.800 1.000 1.000 peak 1637 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.164 CV 1
ASSI { 618}
(( resid and name ))
(( resid 75 and name HN ))
0.000 0.000 6.000 peak 618 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 8.164 CV 1
ASSI { 619}
(( resid and name ))
(( resid 75 and name HA ))
0.000 0.000 6.000 peak 619 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.323 CV 1
ASSI { 1641}
(( resid 75 and name HE3 ))
(( resid 75 and name HA ))
2.500 2.500 3.500 peak 1641 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.98 ppm2 4.323 CV 1
ASSI { 1688}
(( resid 77 and name HG ))
(( resid 77 and name HA ))
2.900 1.100 1.100 peak 1688 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.622 ppm2 5.116 CV 1
ASSI { 1700}
(( resid 78 and name HB ))
(( resid 78 and name HN ))
2.600 0.800 0.800 peak 1700 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.908 ppm2 8.288 CV 1
ASSI { 1701}
(( resid 78 and name HG2% ))
(( resid 78 and name HN ))
3.800 1.800 1.800 peak 1701 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 8.288 CV 1
ASSI { 1709}
(( resid 78 and name HN ))
(( resid 78 and name HA ))
2.300 0.600 0.600 peak 1709 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 8.288 ppm2 5.041 CV 1
ASSI { 1715}
(( resid 78 and name HG2% ))
(( resid 78 and name HB ))
3.700 1.700 1.700 peak 1715 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.928 ppm2 1.908 CV 1
ASSI { 1723}
(( resid 79 and name HA ))
(( resid 79 and name HN ))
2.200 0.600 0.600 peak 1723 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.624 ppm2 9.362 CV 1
ASSI { 1736}
(( resid 80 and name HB ))
(( resid 80 and name HN ))
2.600 0.800 0.800 peak 1736 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.193 ppm2 9.079 CV 1
ASSI { 1737}
(( resid and name ))
(( resid 80 and name HN ))
2.900 1.100 1.100 peak 1737 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 9.079 CV 1
ASSI { 1795}
(( resid 82 and name HB3 ))
(( resid 82 and name HN ))
2.900 1.100 1.100 peak 1795 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.982 ppm2 8.902 CV 1
ASSI { 1813}
(( resid 83 and name HG2% ))
(( resid 83 and name HN ))
4.000 2.000 2.000 peak 1813 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.852 ppm2 8.595 CV 1
ASSI { 1831}
(( resid 84 and name HB2 ))
(( resid 84 and name HN ))
2.400 0.700 0.700 peak 1831 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.568 ppm2 8.967 CV 1
ASSI { 1849}
(( resid 92 and name HB3 ))
(( resid 92 and name HB2 ))
2.600 0.900 0.900 peak 1849 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 3.011 CV 1
ASSI { 1858}
(( resid 102 and name HG13 ))
(( resid 102 and name HG2% ))
4.300 2.300 1.700 peak 1858 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.977 ppm2 1.592 CV 1
ASSI { 1862}
(( resid 103 and name HB3 ))
(( resid 103 and name HE% ))
3.300 1.300 1.300 peak 1862 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 7.011 CV 1
ASSI { 1899}
(( resid 87 and name HA ))
(( resid 87 and name HN ))
2.300 0.600 0.600 peak 1899 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.275 ppm2 8.312 CV 1
ASSI { 1900}
(( resid 87 and name HB2 ))
(( resid 87 and name HN ))
3.100 1.200 1.200 peak 1900 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.008 ppm2 8.312 CV 1
ASSI { 645}
(( resid 87 and name HB3 ))
(( resid 87 and name HN ))
0.000 0.000 6.000 peak 645 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.257 ppm2 8.312 CV 1
ASSI { 1938}
(( resid 88 and name HG ))
(( resid 88 and name HA ))
3.800 1.800 1.800 peak 1938 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.877 ppm2 4.725 CV 1
ASSI { 1949}
(( resid 89 and name HG2% ))
(( resid 89 and name HN ))
3.300 1.400 1.400 peak 1949 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.125 ppm2 9.536 CV 1
ASSI { 1953}
(( resid 89 and name HB ))
(( resid 89 and name HA ))
3.100 1.200 1.200 peak 1953 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.983 ppm2 4.566 CV 1
ASSI { 1954}
(( resid 89 and name HG2% ))
(( resid 89 and name HA ))
3.300 1.400 1.400 peak 1954 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.125 ppm2 4.566 CV 1
ASSI { 1955}
(( resid 89 and name HN ))
(( resid 89 and name HA ))
2.300 0.600 0.600 peak 1955 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 4.566 CV 1
ASSI { 1961}
(( resid 89 and name HG2% ))
(( resid 89 and name HB ))
3.800 1.800 1.800 peak 1961 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.125 ppm2 1.983 CV 1
ASSI { 1962}
(( resid 89 and name HN ))
(( resid 89 and name HB ))
2.700 0.900 0.900 peak 1962 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 9.536 ppm2 1.983 CV 1
ASSI { 1970}
(( resid and name ))
(( resid 90 and name HA ))
3.300 1.400 1.400 peak 1970 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 5.798 CV 1
ASSI { 1976}
(( resid 91 and name HA ))
(( resid 91 and name HN ))
2.200 2.200 3.800 peak 1976 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.347 ppm2 9.407 CV 1
ASSI { 1978}
(( resid 91 and name HB ))
(( resid 91 and name HN ))
2.600 2.600 3.400 peak 1978 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.031 ppm2 9.407 CV 1
ASSI { 1985}
(( resid 91 and name HG2% ))
(( resid 91 and name HA ))
3.200 1.300 1.300 peak 1985 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 5.347 CV 1
ASSI { 2002}
(( resid 91 and name HG2% ))
(( resid 91 and name HB ))
3.400 1.500 1.500 peak 2002 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.142 ppm2 4.031 CV 1
ASSI { 663}
(( resid 92 and name HB2 ))
(( resid 92 and name HN ))
0.000 0.000 6.000 peak 663 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.011 ppm2 9.004 CV 1
ASSI { 2024}
(( resid 93 and name HA ))
(( resid 93 and name HN ))
2.200 2.200 3.800 peak 2024 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.332 ppm2 9.520 CV 1
ASSI { 2025}
(( resid 93 and name HB ))
(( resid 93 and name HN ))
2.300 0.600 0.600 peak 2025 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.030 ppm2 9.520 CV 1
ASSI { 2027}
(( resid 93 and name HG2% ))
(( resid 93 and name HN ))
3.600 1.600 1.600 peak 2027 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 9.520 CV 1
ASSI { 2029}
(( resid 93 and name HG2% ))
(( resid 93 and name HA ))
3.400 1.400 1.400 peak 2029 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.141 ppm2 5.332 CV 1
ASSI { 2042}
(( resid 94 and name HA ))
(( resid 94 and name HN ))
2.200 0.600 0.600 peak 2042 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.996 ppm2 8.439 CV 1
ASSI { 2043}
(( resid 94 and name HB2 ))
(( resid 94 and name HN ))
2.700 0.900 0.900 peak 2043 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.049 ppm2 8.439 CV 1
ASSI { 2057}
(( resid 94 and name HE% ))
(( resid 94 and name HB2 ))
3.300 1.300 1.300 peak 2057 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 6.566 ppm2 3.049 CV 1
ASSI { 2063}
(( resid 95 and name HG3 ))
(( resid 95 and name HN ))
2.800 1.000 1.000 peak 2063 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.449 ppm2 9.525 CV 1
ASSI { 2069}
(( resid 95 and name HG3 ))
(( resid 95 and name HB2 ))
3.500 1.600 1.600 peak 2069 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.449 ppm2 1.686 CV 1
ASSI { 682}
(( resid 95 and name HG3 ))
(( resid 95 and name HB3 ))
0.000 0.000 6.000 peak 682 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.449 ppm2 2.015 CV 1
ASSI { 2077}
(( resid 97 and name HA ))
(( resid 97 and name HN ))
2.400 0.700 0.700 peak 2077 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.293 ppm2 7.870 CV 1
ASSI { 2080}
(( resid 97 and name HB ))
(( resid 97 and name HN ))
2.800 1.000 1.000 peak 2080 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.251 ppm2 7.870 CV 1
ASSI { 2081}
(( resid and name ))
(( resid 97 and name HN ))
3.000 1.100 1.100 peak 2081 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 7.870 CV 1
ASSI { 2084}
(( resid and name ))
(( resid 97 and name HA ))
3.700 1.700 1.700 peak 2084 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 4.293 CV 1
ASSI { 2088}
(( resid and name ))
(( resid 97 and name HB ))
3.800 1.800 1.800 peak 2088 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.02 ppm2 2.251 CV 1
ASSI { 2093}
(( resid 98 and name HA ))
(( resid 98 and name HN ))
2.300 0.700 0.700 peak 2093 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.081 ppm2 8.772 CV 1
ASSI { 2101}
(( resid 99 and name HA ))
(( resid 99 and name HN ))
2.300 0.700 0.700 peak 2101 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.854 ppm2 9.242 CV 1
ASSI { 2102}
(( resid 99 and name HB% ))
(( resid 99 and name HN ))
2.900 1.100 1.100 peak 2102 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.524 ppm2 9.242 CV 1
ASSI { 2104}
(( resid 99 and name HB% ))
(( resid 99 and name HA ))
3.200 1.200 1.200 peak 2104 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.524 ppm2 4.854 CV 1
ASSI { 2106}
(( resid 100 and name HA ))
(( resid 100 and name HN ))
2.300 0.700 0.700 peak 2106 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.643 ppm2 8.913 CV 1
ASSI { 2121}
(( resid 101 and name HA ))
(( resid 101 and name HN ))
2.400 0.700 0.700 peak 2121 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.612 ppm2 9.316 CV 1
ASSI { 2123}
(( resid 101 and name HB3 ))
(( resid 101 and name HN ))
2.700 0.900 0.900 peak 2123 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.777 ppm2 9.316 CV 1
ASSI { 2124}
(( resid 101 and name HG2 ))
(( resid 101 and name HN ))
3.000 3.000 3.000 peak 2124 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.544 ppm2 9.316 CV 1
ASSI { 698}
(( resid 101 and name HB3 ))
(( resid 101 and name HA ))
0.000 0.000 6.000 peak 698 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.777 ppm2 4.612 CV 1
ASSI { 699}
(( resid 101 and name HG2 ))
(( resid 101 and name HB3 ))
0.000 0.000 6.000 peak 699 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.544 ppm2 1.777 CV 1
ASSI { 701}
(( resid 101 and name HA ))
(( resid 101 and name HG3 ))
0.000 0.000 6.000 peak 701 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.612 ppm2 1.413 CV 1
ASSI { 2142}
(( resid 101 and name HG2 ))
(( resid 101 and name HD2 ))
3.400 1.500 1.500 peak 2142 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.544 ppm2 2.952 CV 1
ASSI { 2144}
(( resid 102 and name HA ))
(( resid 102 and name HN ))
2.300 0.700 0.700 peak 2144 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.781 ppm2 8.502 CV 1
ASSI { 2145}
(( resid 102 and name HB ))
(( resid 102 and name HN ))
3.100 1.200 1.200 peak 2145 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.829 ppm2 8.502 CV 1
ASSI { 2148}
(( resid 102 and name HB ))
(( resid 102 and name HA ))
2.900 1.000 1.000 peak 2148 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.829 ppm2 4.781 CV 1
ASSI { 2149}
(( resid 102 and name HD1% ))
(( resid 102 and name HA ))
4.200 2.200 1.800 peak 2149 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 0.942 ppm2 4.781 CV 1
ASSI { 2151}
(( resid 102 and name HG2% ))
(( resid 102 and name HB ))
3.700 1.700 1.700 peak 2151 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.592 ppm2 1.829 CV 1
ASSI { 2152}
(( resid 102 and name HG13 ))
(( resid 102 and name HB ))
3.500 1.500 1.500 peak 2152 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.977 ppm2 1.829 CV 1
ASSI { 2154}
(( resid 103 and name HA ))
(( resid 103 and name HN ))
2.300 0.700 0.700 peak 2154 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.580 ppm2 9.725 CV 1
ASSI { 2155}
(( resid 103 and name HB3 ))
(( resid 103 and name HN ))
2.900 1.000 1.000 peak 2155 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 9.725 CV 1
ASSI { 711}
(( resid 103 and name HB2 ))
(( resid 103 and name HN ))
0.000 0.000 6.000 peak 711 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.534 ppm2 9.725 CV 1
ASSI { 2159}
(( resid 103 and name HB3 ))
(( resid 103 and name HA ))
2.700 0.900 0.900 peak 2159 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 3.216 ppm2 4.580 CV 1
ASSI { 2166}
(( resid 104 and name HA ))
(( resid 104 and name HN ))
2.200 2.200 3.800 peak 2166 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 5.383 ppm2 8.765 CV 1
ASSI { 718}
(( resid 104 and name HB3 ))
(( resid 104 and name HN ))
0.000 0.000 6.000 peak 718 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 2.124 ppm2 8.765 CV 1
ASSI { 2181}
(( resid 105 and name HA ))
(( resid 105 and name HN ))
2.200 0.600 0.600 peak 2181 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 4.012 ppm2 8.686 CV 1
ASSI { 2182}
(( resid 105 and name HB2 ))
(( resid 105 and name HN ))
2.600 0.900 0.900 peak 2182 spectrum 1 weight 0.10000E+1 volume 0.65397E-03 ppm1 1.506 ppm2 8.686 CV 1
Contact the webmaster for help, if required. Saturday, May 18, 2024 9:00:14 AM GMT (wattos1)