NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
23792 |
2jyd   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
! NOESY
! derived from the 2D file(s)
ASSI ( resid 24 and name HA )
( resid 24 and name HN )
6.0 0.1 0.1 peak 2 volume 7.048e+03 ppm1 4.460 ppm2 9.498
ASSI ( resid 28 and name HA )
( resid 28 and name HN )
6.0 0.1 0.1 peak 3 volume 7.193e+03 ppm1 4.383 ppm2 8.960
ASSI ( resid 28 and name hb# )
( resid 28 and name HN )
6.0 0.1 0.1 peak 4 volume 1.734e+04 ppm1 1.523 ppm2 8.961
ASSI ( resid 16 and name HA1 )
( resid 16 and name HN )
6.0 0.1 0.1 peak 5 volume 1.158e+04 ppm1 4.089 ppm2 9.074
ASSI ( resid 16 and name HA2 )
( resid 16 and name HN )
6.0 0.1 0.1 peak 6 volume 1.755e+04 ppm1 3.675 ppm2 9.072
ASSI ( resid 22 and name HA )
( resid 22 and name HN )
6.0 0.1 0.1 peak 7 volume 1.947e+03 ppm1 4.700 ppm2 8.673
ASSI ( resid 22 and name HB2 )
( resid 22 and name HN )
6.0 0.1 0.1 peak 8 volume 2.519e+03 ppm1 3.362 ppm2 8.671
ASSI ( resid 30 and name HA )
( resid 30 and name HN )
6.0 0.1 0.1 peak 9 volume 5.462e+03 ppm1 5.118 ppm2 9.031
ASSI ( resid 14 and name HB )
( resid 14 and name HN )
6.0 0.1 0.1 peak 12 volume 7.513e+03 ppm1 4.365 ppm2 9.644
ASSI ( resid 14 and name HA )
( resid 14 and name HN )
6.0 0.1 0.1 peak 13 volume 4.274e+03 ppm1 4.249 ppm2 9.644
ASSI ( resid 14 and name HB )
( resid 14 and name HA )
6.0 0.1 0.1 peak 14 volume 4.933e+03 ppm1 4.365 ppm2 4.248
ASSI ( resid 19 and name HA1 )
( resid 19 and name HN )
6.0 0.1 0.1 peak 16 volume 1.908e+04 ppm1 4.087 ppm2 9.875
ASSI ( resid 26 and name HA )
( resid 26 and name HN )
6.0 0.1 0.1 peak 23 volume 5.162e+03 ppm1 4.616 ppm2 7.995
ASSI ( resid 26 and name HB2 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 24 volume 2.385e+03 ppm1 2.330 ppm2 7.993
ASSI ( resid 26 and name HB3 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 25 volume 2.931e+03 ppm1 2.163 ppm2 7.994
ASSI ( resid 26 and name HB2 )
( resid 26 and name HB3 )
6.0 0.1 0.1 peak 26 volume 3.542e+04 ppm1 2.330 ppm2 2.161
ASSI ( resid 26 and name HA )
( resid 26 and name HB2 )
6.0 0.1 0.1 peak 27 volume 8.135e+03 ppm1 4.618 ppm2 2.328
ASSI ( resid 26 and name HA )
( resid 26 and name HB3 )
6.0 0.1 0.1 peak 28 volume 2.785e+03 ppm1 4.622 ppm2 2.163
ASSI ( resid 32 and name HA )
( resid 32 and name HN )
6.0 0.1 0.1 peak 29 volume 6.447e+03 ppm1 4.799 ppm2 7.536
ASSI ( resid 32 and name HB2 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 30 volume 1.236e+03 ppm1 4.146 ppm2 7.536
ASSI ( resid 32 and name HB3 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 31 volume 3.047e+03 ppm1 3.834 ppm2 7.536
ASSI ( resid 32 and name HA )
( resid 32 and name HB2 )
6.0 0.1 0.1 peak 32 volume 8.566e+03 ppm1 4.807 ppm2 4.154
ASSI ( resid 32 and name HA )
( resid 32 and name HB3 )
6.0 0.1 0.1 peak 33 volume 1.157e+04 ppm1 4.807 ppm2 3.837
ASSI ( resid 32 and name HB2 )
( resid 32 and name HB3 )
6.0 0.1 0.1 peak 34 volume 5.255e+04 ppm1 4.147 ppm2 3.837
ASSI ( resid 29 and name HA )
( resid 29 and name HN )
6.0 0.1 0.1 peak 57 volume 3.013e+03 ppm1 5.612 ppm2 7.800
ASSI ( resid 27 and name HA )
( resid 27 and name HN )
6.0 0.1 0.1 peak 58 volume 8.741e+03 ppm1 4.766 ppm2 6.778
ASSI ( resid 27 and name HB2 )
( resid 27 and name HN )
6.0 0.1 0.1 peak 59 volume 3.417e+03 ppm1 3.361 ppm2 6.778
ASSI ( resid 27 and name HB3 )
( resid 27 and name HN )
6.0 0.1 0.1 peak 60 volume 6.334e+03 ppm1 2.429 ppm2 6.778
ASSI ( resid 27 and name HA )
( resid 27 and name HB3 )
6.0 0.1 0.1 peak 61 volume 2.911e+03 ppm1 4.768 ppm2 2.428
ASSI ( resid 39 and name hb# )
( resid 39 and name HN )
6.0 0.1 0.1 peak 62 volume 2.406e+04 ppm1 1.357 ppm2 7.383
ASSI ( resid 39 and name HA )
( resid 39 and name HN )
6.0 0.1 0.1 peak 63 volume 6.512e+03 ppm1 4.177 ppm2 7.381
ASSI ( resid 31 and name HD2 )
( resid 31 and name HE )
6.0 0.1 0.1 peak 65 volume 2.412e+03 ppm1 3.196 ppm2 7.163
ASSI ( resid 31 and name HD3 )
( resid 31 and name HE )
6.0 0.1 0.1 peak 66 volume 4.676e+03 ppm1 3.149 ppm2 7.164
ASSI ( resid 31 and name HB3 )
( resid 31 and name HE )
6.0 0.1 0.1 peak 69 volume 3.780e+02 ppm1 1.609 ppm2 7.164
ASSI ( resid 31 and name hg# )
( resid 31 and name HE )
6.0 0.1 0.1 peak 70 volume 1.006e+03 ppm1 1.543 ppm2 7.163
ASSI ( resid 27 and name hd# )
( resid 27 and name he# )
6.0 0.1 0.1 peak 88 volume 5.457e+04 ppm1 6.271 ppm2 6.665
ASSI ( resid 31 and name HA )
( resid 31 and name HN )
6.0 0.1 0.1 peak 92 volume 1.982e+03 ppm1 4.525 ppm2 8.830
ASSI ( resid 31 and name HA )
( resid 31 and name hg# )
6.0 0.1 0.1 peak 95 volume 1.758e+03 ppm1 4.528 ppm2 1.535
ASSI ( resid 17 and name HA )
( resid 17 and name HN )
6.0 0.1 0.1 peak 120 volume 3.806e+03 ppm1 4.393 ppm2 7.946
ASSI ( resid 17 and name HB2 )
( resid 17 and name HN )
6.0 0.1 0.1 peak 123 volume 2.304e+04 ppm1 3.218 ppm2 7.942
ASSI ( resid 17 and name HB3 )
( resid 17 and name HN )
6.0 0.1 0.1 peak 124 volume 1.631e+04 ppm1 2.476 ppm2 7.942
ASSI ( resid 17 and name HA )
( resid 17 and name HB3 )
6.0 0.1 0.1 peak 125 volume 2.848e+04 ppm1 4.384 ppm2 2.476
ASSI ( resid 17 and name HB2 )
( resid 17 and name HB3 )
6.0 0.1 0.1 peak 126 volume 5.222e+04 ppm1 3.222 ppm2 2.475
ASSI ( resid 36 and name HB3 )
( resid 36 and name HN )
6.0 0.1 0.1 peak 130 volume 1.964e+03 ppm1 2.960 ppm2 7.468
ASSI ( resid 36 and name HA )
( resid 36 and name HN )
6.0 0.1 0.1 peak 131 volume 7.940e+02 ppm1 2.728 ppm2 7.468
ASSI ( resid 41 and name HA )
( resid 41 and name HB2 )
6.0 0.1 0.1 peak 151 volume 3.172e+03 ppm1 4.341 ppm2 1.856
ASSI ( resid 41 and name HA )
( resid 41 and name HB3 )
6.0 0.1 0.1 peak 152 volume 3.397e+03 ppm1 4.340 ppm2 1.753
ASSI ( resid 41 and name HA )
( resid 41 and name hd# )
6.0 0.1 0.1 peak 153 volume 4.627e+03 ppm1 4.342 ppm2 1.664
ASSI ( resid 21 and name HA1 )
( resid 21 and name HN )
6.0 0.1 0.1 peak 154 volume 1.557e+04 ppm1 4.389 ppm2 8.105
ASSI ( resid 28 and name HA )
( resid 28 and name hb# )
6.0 0.1 0.1 peak 192 volume 7.691e+03 ppm1 4.381 ppm2 1.526
ASSI ( resid 10 and name HA )
( resid 10 and name HN )
6.0 0.1 0.1 peak 222 volume 5.998e+03 ppm1 4.370 ppm2 8.225
ASSI ( resid 10 and name hb# )
( resid 10 and name HN )
6.0 0.1 0.1 peak 223 volume 8.313e+03 ppm1 1.660 ppm2 8.225
ASSI ( resid 10 and name HG )
( resid 10 and name HN )
6.0 0.1 0.1 peak 224 volume 3.934e+03 ppm1 1.593 ppm2 8.225
ASSI ( resid 10 and name hd1# )
( resid 10 and name HN )
6.0 0.1 0.1 peak 225 volume 5.080e+02 ppm1 0.925 ppm2 8.225
ASSI ( resid 10 and name HA )
( resid 10 and name hb# )
6.0 0.1 0.1 peak 226 volume 3.774e+03 ppm1 4.366 ppm2 1.657
ASSI ( resid 10 and name HA )
( resid 10 and name HG )
6.0 0.1 0.1 peak 227 volume 3.686e+03 ppm1 4.367 ppm2 1.593
ASSI ( resid 10 and name HA )
( resid 10 and name hd1# )
6.0 0.1 0.1 peak 228 volume 8.700e+02 ppm1 4.367 ppm2 0.921
ASSI ( resid 10 and name hb# )
( resid 10 and name hd1# )
6.0 0.1 0.1 peak 230 volume 1.329e+04 ppm1 1.657 ppm2 0.921
ASSI ( resid 10 and name HG )
( resid 10 and name hd1# )
6.0 0.1 0.1 peak 231 volume 5.881e+03 ppm1 1.594 ppm2 0.923
ASSI ( resid 25 and name HA2 )
( resid 25 and name HN )
6.0 0.1 0.1 peak 232 volume 1.013e+04 ppm1 4.087 ppm2 8.396
ASSI ( resid 16 and name HA1 )
( resid 16 and name HA2 )
6.0 0.1 0.1 peak 236 volume 3.273e+04 ppm1 4.090 ppm2 3.678
ASSI ( resid 44 and name HA )
( resid 44 and name HN )
6.0 0.1 0.1 peak 258 volume 7.429e+03 ppm1 4.462 ppm2 8.182
ASSI ( resid 19 and name HA2 )
( resid 19 and name HN )
6.0 0.1 0.1 peak 285 volume 8.047e+03 ppm1 2.703 ppm2 9.875
ASSI ( resid 14 and name HB )
( resid 14 and name hg2# )
6.0 0.1 0.1 peak 286 volume 6.171e+03 ppm1 4.365 ppm2 1.052
ASSI ( resid 14 and name HA )
( resid 14 and name hg2# )
6.0 0.1 0.1 peak 287 volume 8.412e+03 ppm1 4.250 ppm2 1.052
ASSI ( resid 14 and name hg2# )
( resid 14 and name HN )
6.0 0.1 0.1 peak 288 volume 2.527e+03 ppm1 1.054 ppm2 9.643
ASSI ( resid 33 and name HA )
( resid 33 and name HN )
6.0 0.1 0.1 peak 290 volume 1.300e+04 ppm1 4.272 ppm2 9.259
ASSI ( resid 33 and name hb# )
( resid 33 and name HN )
6.0 0.1 0.1 peak 291 volume 1.436e+04 ppm1 1.766 ppm2 9.262
ASSI ( resid 33 and name HA )
( resid 33 and name hb# )
6.0 0.1 0.1 peak 292 volume 1.361e+03 ppm1 4.273 ppm2 1.766
ASSI ( resid 30 and name HB2 )
( resid 30 and name HN )
6.0 0.1 0.1 peak 294 volume 2.844e+03 ppm1 3.360 ppm2 9.032
ASSI ( resid 30 and name HB3 )
( resid 30 and name HN )
6.0 0.1 0.1 peak 295 volume 1.365e+03 ppm1 3.264 ppm2 9.032
ASSI ( resid 30 and name HA )
( resid 30 and name HB3 )
6.0 0.1 0.1 peak 296 volume 1.705e+04 ppm1 5.120 ppm2 3.265
ASSI ( resid 30 and name HA )
( resid 30 and name HB2 )
6.0 0.1 0.1 peak 297 volume 1.771e+04 ppm1 5.120 ppm2 3.350
ASSI ( resid 29 and name HB2 )
( resid 29 and name HN )
6.0 0.1 0.1 peak 298 volume 1.060e+03 ppm1 3.964 ppm2 7.800
ASSI ( resid 29 and name HB3 )
( resid 29 and name HN )
6.0 0.1 0.1 peak 299 volume 1.941e+03 ppm1 3.900 ppm2 7.801
ASSI ( resid 29 and name HA )
( resid 29 and name HB2 )
6.0 0.1 0.1 peak 300 volume 1.131e+04 ppm1 5.612 ppm2 3.971
ASSI ( resid 29 and name HA )
( resid 29 and name HB3 )
6.0 0.1 0.1 peak 301 volume 8.703e+03 ppm1 5.612 ppm2 3.896
ASSI ( resid 27 and name HA )
( resid 27 and name HB2 )
6.0 0.1 0.1 peak 319 volume 1.120e+04 ppm1 4.768 ppm2 3.364
ASSI ( resid 27 and name HB2 )
( resid 27 and name HB3 )
6.0 0.1 0.1 peak 320 volume 6.293e+04 ppm1 3.364 ppm2 2.428
ASSI ( resid 39 and name HA )
( resid 39 and name hb# )
6.0 0.1 0.1 peak 321 volume 7.620e+03 ppm1 4.177 ppm2 1.359
ASSI ( resid 17 and name HA )
( resid 17 and name HB2 )
6.0 0.1 0.1 peak 322 volume 1.960e+04 ppm1 4.387 ppm2 3.217
ASSI ( resid 10 and name hd2# )
( resid 10 and name HN )
6.0 0.1 0.1 peak 323 volume 1.014e+03 ppm1 0.863 ppm2 8.225
ASSI ( resid 10 and name hb# )
( resid 10 and name hd2# )
6.0 0.1 0.1 peak 324 volume 3.809e+03 ppm1 1.658 ppm2 0.849
ASSI ( resid 10 and name HG )
( resid 10 and name hd2# )
6.0 0.1 0.1 peak 325 volume 2.936e+03 ppm1 1.594 ppm2 0.850
ASSI ( resid 10 and name HA )
( resid 10 and name hd2# )
6.0 0.1 0.1 peak 326 volume 1.001e+04 ppm1 4.367 ppm2 0.849
ASSI ( resid 44 and name hd2# )
( resid 44 and name HN )
6.0 0.1 0.1 peak 327 volume 4.088e+03 ppm1 0.870 ppm2 8.184
ASSI ( resid 44 and name hd1# )
( resid 44 and name HN )
6.0 0.1 0.1 peak 328 volume 5.580e+03 ppm1 0.932 ppm2 8.186
ASSI ( resid 44 and name hb# )
( resid 44 and name HN )
6.0 0.1 0.1 peak 329 volume 9.508e+03 ppm1 1.642 ppm2 8.183
ASSI ( resid 22 and name HA )
( resid 22 and name HB2 )
6.0 0.1 0.1 peak 330 volume 5.076e+03 ppm1 4.693 ppm2 3.363
ASSI ( resid 30 and name HB2 )
( resid 30 and name HB3 )
6.0 0.1 0.1 peak 331 volume 2.937e+04 ppm1 3.359 ppm2 3.264
ASSI ( resid 21 and name HA2 )
( resid 21 and name HN )
6.0 0.1 0.1 peak 332 volume 6.707e+03 ppm1 3.792 ppm2 8.105
ASSI ( resid 3 and name HA )
( resid 3 and name HG2 )
6.0 0.1 0.1 peak 338 volume 2.000e+02 ppm1 4.524 ppm2 2.636
ASSI ( resid 3 and name HA )
( resid 3 and name HG3 )
6.0 0.1 0.1 peak 339 volume 8.570e+02 ppm1 4.525 ppm2 2.564
ASSI ( resid 3 and name HA )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 340 volume 1.503e+03 ppm1 4.525 ppm2 2.084
ASSI ( resid 3 and name HA )
( resid 3 and name HB3 )
6.0 0.1 0.1 peak 341 volume 4.590e+02 ppm1 4.523 ppm2 1.995
ASSI ( resid 3 and name HG2 )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 342 volume 1.703e+03 ppm1 2.635 ppm2 2.096
ASSI ( resid 3 and name HG3 )
( resid 3 and name HB2 )
6.0 0.1 0.1 peak 343 volume 7.780e+02 ppm1 2.564 ppm2 2.097
ASSI ( resid 18 and name HA )
( resid 18 and name HN )
6.0 0.1 0.1 peak 347 volume 7.907e+03 ppm1 4.681 ppm2 8.722
ASSI ( resid 18 and name HB2 )
( resid 18 and name HN )
6.0 0.1 0.1 peak 348 volume 1.254e+03 ppm1 3.156 ppm2 8.723
ASSI ( resid 18 and name HA )
( resid 18 and name HB3 )
6.0 0.1 0.1 peak 351 volume 5.075e+03 ppm1 4.679 ppm2 2.719
ASSI ( resid 18 and name HB2 )
( resid 18 and name HB3 )
6.0 0.1 0.1 peak 352 volume 4.924e+04 ppm1 3.165 ppm2 2.720
ASSI ( resid 12 and name HA )
( resid 12 and name HN )
6.0 0.1 0.1 peak 353 volume 8.417e+03 ppm1 4.120 ppm2 8.773
ASSI ( resid 12 and name HB2 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 354 volume 5.605e+03 ppm1 2.707 ppm2 8.772
ASSI ( resid 11 and name HA )
( resid 11 and name HN )
6.0 0.1 0.1 peak 363 volume 3.335e+03 ppm1 4.462 ppm2 7.948
ASSI ( resid 11 and name hb# )
( resid 11 and name HN )
6.0 0.1 0.1 peak 365 volume 4.420e+02 ppm1 1.708 ppm2 7.948
ASSI ( resid 11 and name hd# )
( resid 11 and name HN )
6.0 0.1 0.1 peak 367 volume 1.506e+03 ppm1 1.625 ppm2 7.946
ASSI ( resid 11 and name HG2 )
( resid 11 and name HN )
6.0 0.1 0.1 peak 368 volume 2.354e+03 ppm1 1.294 ppm2 7.946
ASSI ( resid 11 and name HG3 )
( resid 11 and name HN )
6.0 0.1 0.1 peak 369 volume 1.352e+03 ppm1 1.225 ppm2 7.944
ASSI ( resid 11 and name HA )
( resid 11 and name hb# )
6.0 0.1 0.1 peak 371 volume 1.420e+03 ppm1 4.464 ppm2 1.707
ASSI ( resid 11 and name HA )
( resid 11 and name HG2 )
6.0 0.1 0.1 peak 374 volume 7.920e+02 ppm1 4.461 ppm2 1.294
ASSI ( resid 11 and name HA )
( resid 11 and name HG3 )
6.0 0.1 0.1 peak 375 volume 3.260e+02 ppm1 4.460 ppm2 1.224
ASSI ( resid 11 and name he# )
( resid 11 and name hd# )
6.0 0.1 0.1 peak 379 volume 1.189e+04 ppm1 2.958 ppm2 1.607
ASSI ( resid 11 and name he# )
( resid 11 and name HG2 )
6.0 0.1 0.1 peak 380 volume 3.454e+03 ppm1 2.958 ppm2 1.293
ASSI ( resid 11 and name he# )
( resid 11 and name HG3 )
6.0 0.1 0.1 peak 381 volume 2.790e+03 ppm1 2.959 ppm2 1.218
ASSI ( resid 11 and name hb# )
( resid 11 and name HG3 )
6.0 0.1 0.1 peak 384 volume 4.854e+03 ppm1 1.708 ppm2 1.216
ASSI ( resid 11 and name hd# )
( resid 11 and name HG3 )
6.0 0.1 0.1 peak 385 volume 1.698e+04 ppm1 1.620 ppm2 1.216
ASSI ( resid 11 and name hb# )
( resid 11 and name HG2 )
6.0 0.1 0.1 peak 387 volume 4.911e+03 ppm1 1.707 ppm2 1.294
ASSI ( resid 11 and name hd# )
( resid 11 and name HG2 )
6.0 0.1 0.1 peak 388 volume 1.695e+04 ppm1 1.620 ppm2 1.293
ASSI ( resid 41 and name HA )
( resid 41 and name HN )
6.0 0.1 0.1 peak 394 volume 3.264e+03 ppm1 4.331 ppm2 8.537
ASSI ( resid 41 and name HB2 )
( resid 41 and name HN )
6.0 0.1 0.1 peak 396 volume 1.089e+03 ppm1 1.851 ppm2 8.538
ASSI ( resid 41 and name HB3 )
( resid 41 and name HN )
6.0 0.1 0.1 peak 397 volume 9.940e+02 ppm1 1.752 ppm2 8.538
ASSI ( resid 41 and name HG2 )
( resid 41 and name HN )
6.0 0.1 0.1 peak 399 volume 3.270e+02 ppm1 1.459 ppm2 8.539
ASSI ( resid 41 and name HG3 )
( resid 41 and name HN )
6.0 0.1 0.1 peak 400 volume 1.070e+03 ppm1 1.361 ppm2 8.538
ASSI ( resid 38 and name HA )
( resid 38 and name HN )
6.0 0.1 0.1 peak 401 volume 5.354e+03 ppm1 4.712 ppm2 8.726
ASSI ( resid 38 and name HB2 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 402 volume 1.014e+04 ppm1 1.737 ppm2 8.727
ASSI ( resid 38 and name HB3 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 403 volume 2.711e+03 ppm1 1.579 ppm2 8.727
ASSI ( resid 38 and name hg# )
( resid 38 and name HN )
6.0 0.1 0.1 peak 404 volume 2.486e+03 ppm1 1.393 ppm2 8.727
ASSI ( resid 38 and name HA )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 405 volume 1.287e+04 ppm1 4.706 ppm2 1.747
ASSI ( resid 38 and name HA )
( resid 38 and name HB3 )
6.0 0.1 0.1 peak 406 volume 1.616e+03 ppm1 4.706 ppm2 1.574
ASSI ( resid 38 and name HA )
( resid 38 and name hg# )
6.0 0.1 0.1 peak 407 volume 1.006e+03 ppm1 4.708 ppm2 1.406
ASSI ( resid 38 and name HD2 )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 408 volume 7.952e+03 ppm1 3.529 ppm2 1.737
ASSI ( resid 38 and name HD2 )
( resid 38 and name HB3 )
6.0 0.1 0.1 peak 409 volume 5.083e+03 ppm1 3.523 ppm2 1.575
ASSI ( resid 38 and name HD2 )
( resid 38 and name hg# )
6.0 0.1 0.1 peak 410 volume 6.698e+03 ppm1 3.527 ppm2 1.408
ASSI ( resid 38 and name HB2 )
( resid 38 and name hg# )
6.0 0.1 0.1 peak 411 volume 2.292e+04 ppm1 1.743 ppm2 1.396
ASSI ( resid 38 and name HD2 )
( resid 38 and name HE )
6.0 0.1 0.1 peak 412 volume 4.411e+03 ppm1 3.519 ppm2 7.493
ASSI ( resid 38 and name HB2 )
( resid 38 and name HE )
6.0 0.1 0.1 peak 413 volume 1.322e+04 ppm1 1.737 ppm2 7.493
ASSI ( resid 38 and name HB3 )
( resid 38 and name HE )
6.0 0.1 0.1 peak 414 volume 6.571e+03 ppm1 1.580 ppm2 7.492
ASSI ( resid 38 and name hg# )
( resid 38 and name HE )
6.0 0.1 0.1 peak 415 volume 4.980e+03 ppm1 1.408 ppm2 7.492
ASSI ( resid 31 and name HA )
( resid 31 and name HE )
6.0 0.1 0.1 peak 417 volume 7.220e+02 ppm1 4.525 ppm2 7.163
ASSI ( resid 6 and name HB2 )
( resid 6 and name HN )
6.0 0.1 0.1 peak 424 volume 3.810e+02 ppm1 3.176 ppm2 8.438
ASSI ( resid 6 and name HB3 )
( resid 6 and name HN )
6.0 0.1 0.1 peak 425 volume 7.260e+02 ppm1 3.143 ppm2 8.436
ASSI ( resid 43 and name ha# )
( resid 43 and name HN )
6.0 0.1 0.1 peak 431 volume 3.690e+02 ppm1 3.957 ppm2 8.565
ASSI ( resid 45 and name HA )
( resid 45 and name HN )
6.0 0.1 0.1 peak 432 volume 9.220e+02 ppm1 4.400 ppm2 8.496
ASSI ( resid 45 and name HB3 )
( resid 45 and name HG3 )
6.0 0.1 0.1 peak 438 volume 7.412e+03 ppm1 1.766 ppm2 1.611
ASSI ( resid 45 and name HB2 )
( resid 45 and name HB3 )
6.0 0.1 0.1 peak 441 volume 1.767e+04 ppm1 1.870 ppm2 1.766
ASSI ( resid 45 and name hd# )
( resid 45 and name HB2 )
6.0 0.1 0.1 peak 442 volume 4.300e+02 ppm1 3.199 ppm2 1.870
ASSI ( resid 45 and name hd# )
( resid 45 and name HB3 )
6.0 0.1 0.1 peak 446 volume 1.913e+03 ppm1 3.199 ppm2 1.766
ASSI ( resid 9 and name HA )
( resid 9 and name HN )
6.0 0.1 0.1 peak 452 volume 5.023e+03 ppm1 4.554 ppm2 8.307
ASSI ( resid 9 and name HB2 )
( resid 9 and name HN )
6.0 0.1 0.1 peak 453 volume 3.564e+03 ppm1 2.704 ppm2 8.309
ASSI ( resid 9 and name HB3 )
( resid 9 and name HN )
6.0 0.1 0.1 peak 454 volume 7.420e+03 ppm1 2.559 ppm2 8.310
ASSI ( resid 9 and name HB2 )
( resid 9 and name HB3 )
6.0 0.1 0.1 peak 455 volume 5.895e+04 ppm1 2.707 ppm2 2.557
ASSI ( resid 15 and name HA )
( resid 15 and name HD2 )
6.0 0.1 0.1 peak 456 volume 3.959e+04 ppm1 4.238 ppm2 3.677
ASSI ( resid 15 and name HA )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 457 volume 5.635e+03 ppm1 4.244 ppm2 2.315
ASSI ( resid 15 and name HA )
( resid 15 and name HG2 )
6.0 0.1 0.1 peak 458 volume 1.368e+04 ppm1 4.241 ppm2 2.179
ASSI ( resid 15 and name HA )
( resid 15 and name HG3 )
6.0 0.1 0.1 peak 459 volume 8.650e+03 ppm1 4.242 ppm2 2.000
ASSI ( resid 15 and name HD2 )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 461 volume 1.774e+03 ppm1 3.676 ppm2 2.314
ASSI ( resid 15 and name HD2 )
( resid 15 and name HG3 )
6.0 0.1 0.1 peak 463 volume 4.271e+03 ppm1 3.678 ppm2 2.000
ASSI ( resid 15 and name HB2 )
( resid 15 and name HG2 )
6.0 0.1 0.1 peak 465 volume 1.703e+04 ppm1 2.317 ppm2 2.181
ASSI ( resid 15 and name HB2 )
( resid 15 and name HG3 )
6.0 0.1 0.1 peak 466 volume 1.332e+04 ppm1 2.315 ppm2 2.001
ASSI ( resid 15 and name HB2 )
( resid 15 and name HB3 )
6.0 0.1 0.1 peak 467 volume 5.518e+04 ppm1 2.318 ppm2 1.901
ASSI ( resid 15 and name HG2 )
( resid 15 and name HG3 )
6.0 0.1 0.1 peak 468 volume 5.680e+04 ppm1 2.181 ppm2 2.001
ASSI ( resid 15 and name HG2 )
( resid 15 and name HB3 )
6.0 0.1 0.1 peak 469 volume 1.963e+04 ppm1 2.181 ppm2 1.900
ASSI ( resid 20 and name hb# )
( resid 20 and name HN )
6.0 0.1 0.1 peak 472 volume 9.104e+03 ppm1 4.036 ppm2 8.436
ASSI ( resid 23 and name HA )
( resid 23 and name HN )
6.0 0.1 0.1 peak 474 volume 4.213e+03 ppm1 3.897 ppm2 8.005
ASSI ( resid 40 and name HA )
( resid 40 and name HN )
6.0 0.1 0.1 peak 478 volume 4.113e+03 ppm1 4.278 ppm2 8.427
ASSI ( resid 40 and name HB2 )
( resid 40 and name HN )
6.0 0.1 0.1 peak 480 volume 3.400e+03 ppm1 1.823 ppm2 8.427
ASSI ( resid 40 and name HB3 )
( resid 40 and name HN )
6.0 0.1 0.1 peak 482 volume 6.299e+03 ppm1 1.769 ppm2 8.427
ASSI ( resid 40 and name hd# )
( resid 40 and name HN )
6.0 0.1 0.1 peak 483 volume 1.901e+03 ppm1 1.692 ppm2 8.427
ASSI ( resid 40 and name hg# )
( resid 40 and name HN )
6.0 0.1 0.1 peak 484 volume 2.662e+03 ppm1 1.451 ppm2 8.427
ASSI ( resid 40 and name he# )
( resid 40 and name hg# )
6.0 0.1 0.1 peak 488 volume 1.300e+02 ppm1 2.963 ppm2 1.451
ASSI ( resid 40 and name HA )
( resid 40 and name HB2 )
6.0 0.1 0.1 peak 489 volume 1.099e+03 ppm1 4.272 ppm2 1.823
ASSI ( resid 40 and name HA )
( resid 40 and name HB3 )
6.0 0.1 0.1 peak 490 volume 2.744e+03 ppm1 4.271 ppm2 1.770
ASSI ( resid 40 and name HA )
( resid 40 and name hd# )
6.0 0.1 0.1 peak 491 volume 7.380e+02 ppm1 4.272 ppm2 1.691
ASSI ( resid 40 and name HA )
( resid 40 and name hg# )
6.0 0.1 0.1 peak 492 volume 8.920e+02 ppm1 4.273 ppm2 1.451
ASSI ( resid 40 and name HA )
( resid 40 and name he# )
6.0 0.1 0.1 peak 493 volume 6.445e+03 ppm1 4.280 ppm2 2.962
ASSI ( resid 16 and name HA1 )
( resid 17 and name HN )
6.0 0.1 0.1 peak 494 volume 1.584e+03 ppm1 4.086 ppm2 7.944
ASSI ( resid 16 and name HA2 )
( resid 17 and name HN )
6.0 0.1 0.1 peak 495 volume 2.869e+03 ppm1 3.677 ppm2 7.944
ASSI ( resid 17 and name HN )
( resid 16 and name HN )
6.0 0.1 0.1 peak 496 volume 6.969e+03 ppm1 7.946 ppm2 9.074
ASSI ( attr store1 < 4.41 and attr store1 > 4.37 )
( attr store1 < 8.685 and attr store1 > 8.655 )
6.0 0.1 0.1 peak 497 volume 1.604e+04 ppm1 4.390 ppm2 8.670
ASSI ( resid 21 and name HA2 )
( resid 22 and name HN )
6.0 0.1 0.1 peak 498 volume 1.954e+04 ppm1 3.793 ppm2 8.669
ASSI ( resid 21 and name HN )
( resid 22 and name HN )
6.0 0.1 0.1 peak 499 volume 4.900e+02 ppm1 8.106 ppm2 8.669
ASSI ( resid 9 and name HA )
( resid 10 and name HN )
6.0 0.1 0.1 peak 500 volume 1.526e+04 ppm1 4.555 ppm2 8.224
ASSI ( resid 9 and name HB2 )
( resid 10 and name HN )
6.0 0.1 0.1 peak 501 volume 2.091e+03 ppm1 2.703 ppm2 8.224
ASSI ( resid 9 and name HB3 )
( resid 10 and name HN )
6.0 0.1 0.1 peak 502 volume 1.300e+03 ppm1 2.564 ppm2 8.225
ASSI ( resid 25 and name HN )
( resid 24 and name HN )
6.0 0.1 0.1 peak 504 volume 1.169e+04 ppm1 8.403 ppm2 9.499
ASSI ( resid 24 and name hg2# )
( resid 25 and name HN )
6.0 0.1 0.1 peak 505 volume 6.312e+03 ppm1 1.623 ppm2 8.397
ASSI ( attr store1 < 2.73 and attr store1 > 2.69 )
( attr store1 < 8.452 and attr store1 > 8.422 )
6.0 0.1 0.1 peak 506 volume 1.672e+03 ppm1 2.710 ppm2 8.437
ASSI ( resid 20 and name HN )
( resid 19 and name HN )
6.0 0.1 0.1 peak 507 volume 2.946e+03 ppm1 8.434 ppm2 9.875
ASSI ( attr store1 < 8.137 and attr store1 > 8.097 )
( attr store1 < 8.448 and attr store1 > 8.418 )
6.0 0.1 0.1 peak 509 volume 9.190e+02 ppm1 8.117 ppm2 8.433
ASSI ( resid 24 and name HA )
( resid 25 and name HN )
6.0 0.1 0.1 peak 510 volume 2.138e+03 ppm1 4.460 ppm2 8.399
ASSI ( resid 24 and name hg2# )
( resid 24 and name HN )
6.0 0.1 0.1 peak 511 volume 3.895e+03 ppm1 1.617 ppm2 9.499
ASSI ( resid 26 and name HN )
( resid 25 and name HN )
6.0 0.1 0.1 peak 512 volume 4.928e+03 ppm1 7.998 ppm2 8.401
ASSI ( resid 25 and name HA2 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 513 volume 3.459e+03 ppm1 4.086 ppm2 7.994
ASSI ( resid 26 and name HA )
( resid 27 and name HN )
6.0 0.1 0.1 peak 514 volume 4.432e+03 ppm1 4.614 ppm2 6.778
ASSI ( resid 26 and name HB2 )
( resid 27 and name HN )
6.0 0.1 0.1 peak 515 volume 1.207e+03 ppm1 2.325 ppm2 6.777
ASSI ( resid 26 and name HB3 )
( resid 27 and name HN )
6.0 0.1 0.1 peak 516 volume 2.910e+02 ppm1 2.163 ppm2 6.777
ASSI ( resid 27 and name HN )
( resid 26 and name HN )
6.0 0.1 0.1 peak 517 volume 1.410e+04 ppm1 6.780 ppm2 7.993
ASSI ( resid 27 and name HN )
( resid 28 and name HN )
6.0 0.1 0.1 peak 518 volume 1.310e+02 ppm1 6.786 ppm2 8.965
ASSI ( resid 27 and name HA )
( resid 28 and name HN )
6.0 0.1 0.1 peak 519 volume 1.372e+04 ppm1 4.776 ppm2 8.964
ASSI ( resid 27 and name HB2 )
( resid 28 and name HN )
6.0 0.1 0.1 peak 520 volume 5.907e+03 ppm1 3.365 ppm2 8.964
ASSI ( resid 27 and name HB3 )
( resid 28 and name HN )
6.0 0.1 0.1 peak 521 volume 2.645e+03 ppm1 2.430 ppm2 8.960
ASSI ( resid 28 and name HA )
( resid 29 and name HN )
6.0 0.1 0.1 peak 522 volume 6.440e+02 ppm1 4.379 ppm2 7.799
ASSI ( resid 28 and name hb# )
( resid 29 and name HN )
6.0 0.1 0.1 peak 523 volume 9.367e+03 ppm1 1.523 ppm2 7.800
ASSI ( resid 29 and name HN )
( resid 28 and name HN )
6.0 0.1 0.1 peak 524 volume 7.103e+03 ppm1 7.796 ppm2 8.963
ASSI ( resid 29 and name HN )
( resid 30 and name HN )
6.0 0.1 0.1 peak 525 volume 5.870e+02 ppm1 7.807 ppm2 9.030
ASSI ( resid 29 and name HB2 )
( resid 30 and name HN )
6.0 0.1 0.1 peak 526 volume 3.580e+03 ppm1 3.969 ppm2 9.031
ASSI ( resid 29 and name HB3 )
( resid 30 and name HN )
6.0 0.1 0.1 peak 527 volume 6.121e+03 ppm1 3.892 ppm2 9.031
ASSI ( resid 29 and name HA )
( resid 30 and name HN )
6.0 0.1 0.1 peak 528 volume 7.121e+03 ppm1 5.616 ppm2 9.033
ASSI ( resid 32 and name HA )
( resid 33 and name HN )
6.0 0.1 0.1 peak 529 volume 9.073e+03 ppm1 4.800 ppm2 9.260
ASSI ( resid 32 and name HB2 )
( resid 33 and name HN )
6.0 0.1 0.1 peak 530 volume 3.795e+03 ppm1 4.145 ppm2 9.260
ASSI ( resid 32 and name HB3 )
( resid 33 and name HN )
6.0 0.1 0.1 peak 531 volume 1.895e+03 ppm1 3.835 ppm2 9.260
ASSI ( resid 23 and name HN )
( resid 22 and name HN )
6.0 0.1 0.1 peak 533 volume 4.290e+02 ppm1 7.999 ppm2 8.673
ASSI ( resid 22 and name HA )
( resid 23 and name HN )
6.0 0.1 0.1 peak 534 volume 2.063e+04 ppm1 4.694 ppm2 8.003
ASSI ( resid 10 and name hd1# )
( resid 11 and name HN )
6.0 0.1 0.1 peak 536 volume 6.380e+02 ppm1 0.925 ppm2 7.953
ASSI ( resid 10 and name hd2# )
( resid 11 and name HN )
6.0 0.1 0.1 peak 537 volume 1.085e+03 ppm1 0.863 ppm2 7.953
ASSI ( resid 11 and name HN )
( resid 10 and name HN )
6.0 0.1 0.1 peak 538 volume 4.992e+03 ppm1 7.945 ppm2 8.226
ASSI ( resid 46 and name HB )
( resid 46 and name hg1# )
6.0 0.1 0.1 peak 539 volume 1.567e+03 ppm1 2.085 ppm2 0.904
ASSI ( resid 11 and name HA )
( resid 12 and name HN )
6.0 0.1 0.1 peak 544 volume 1.164e+04 ppm1 4.462 ppm2 8.773
ASSI ( resid 11 and name hb# )
( resid 12 and name HN )
6.0 0.1 0.1 peak 545 volume 7.390e+02 ppm1 1.705 ppm2 8.774
ASSI ( resid 11 and name hd# )
( resid 12 and name HN )
6.0 0.1 0.1 peak 547 volume 8.529e+03 ppm1 1.626 ppm2 8.774
ASSI ( resid 11 and name HG2 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 548 volume 3.710e+02 ppm1 1.305 ppm2 8.773
ASSI ( resid 11 and name HG3 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 549 volume 5.430e+02 ppm1 1.225 ppm2 8.774
ASSI ( resid 11 and name HN )
( resid 12 and name HN )
6.0 0.1 0.1 peak 550 volume 1.844e+03 ppm1 7.937 ppm2 8.777
ASSI ( resid 8 and name HA )
( resid 8 and name HN )
6.0 0.1 0.1 peak 551 volume 3.109e+03 ppm1 4.321 ppm2 8.651
ASSI ( resid 8 and name hb# )
( resid 8 and name HN )
6.0 0.1 0.1 peak 552 volume 6.860e+02 ppm1 1.399 ppm2 8.651
ASSI ( resid 8 and name HA )
( resid 8 and name hb# )
6.0 0.1 0.1 peak 553 volume 5.062e+03 ppm1 4.322 ppm2 1.399
ASSI ( resid 8 and name HA )
( resid 9 and name HN )
6.0 0.1 0.1 peak 554 volume 2.606e+03 ppm1 4.321 ppm2 8.309
ASSI ( resid 8 and name hb# )
( resid 9 and name HN )
6.0 0.1 0.1 peak 555 volume 3.815e+03 ppm1 1.399 ppm2 8.309
ASSI ( resid 9 and name HN )
( resid 8 and name HN )
6.0 0.1 0.1 peak 556 volume 2.590e+02 ppm1 8.308 ppm2 8.652
ASSI ( resid 22 and name HB2 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 557 volume 3.332e+03 ppm1 3.362 ppm2 8.004
ASSI ( resid 23 and name HN )
( resid 24 and name HN )
6.0 0.1 0.1 peak 558 volume 3.160e+03 ppm1 8.001 ppm2 9.498
ASSI ( resid 23 and name HA )
( resid 24 and name HN )
6.0 0.1 0.1 peak 559 volume 1.737e+03 ppm1 3.896 ppm2 9.499
ASSI ( resid 32 and name HN )
( resid 33 and name HN )
6.0 0.1 0.1 peak 560 volume 3.780e+02 ppm1 7.527 ppm2 9.262
ASSI ( resid 37 and name HA )
( resid 37 and name HD2 )
6.0 0.1 0.1 peak 569 volume 2.220e+02 ppm1 4.459 ppm2 3.605
ASSI ( resid 37 and name HA )
( resid 37 and name hb# )
6.0 0.1 0.1 peak 570 volume 4.406e+03 ppm1 4.463 ppm2 2.193
ASSI ( resid 37 and name HA )
( resid 37 and name hg# )
6.0 0.1 0.1 peak 571 volume 1.119e+03 ppm1 4.464 ppm2 1.957
ASSI ( resid 37 and name HD2 )
( resid 37 and name hg# )
6.0 0.1 0.1 peak 572 volume 3.014e+03 ppm1 3.610 ppm2 1.957
ASSI ( resid 37 and name HD2 )
( resid 37 and name hb# )
6.0 0.1 0.1 peak 574 volume 7.860e+02 ppm1 3.611 ppm2 2.193
ASSI ( resid 37 and name HA )
( resid 37 and name HD3 )
6.0 0.1 0.1 peak 576 volume 9.700e+01 ppm1 4.461 ppm2 3.038
ASSI ( resid 13 and name HA )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 579 volume 7.268e+03 ppm1 4.677 ppm2 2.252
ASSI ( resid 13 and name HA )
( resid 13 and name HD3 )
6.0 0.1 0.1 peak 581 volume 2.335e+04 ppm1 4.671 ppm2 3.981
ASSI ( resid 13 and name HD2 )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 585 volume 1.325e+03 ppm1 4.275 ppm2 2.250
ASSI ( resid 13 and name HD2 )
( resid 13 and name hg# )
6.0 0.1 0.1 peak 587 volume 5.556e+03 ppm1 4.275 ppm2 1.934
ASSI ( resid 15 and name HD2 )
( resid 15 and name HB3 )
6.0 0.1 0.1 peak 591 volume 2.002e+03 ppm1 3.674 ppm2 1.899
ASSI ( resid 15 and name HA )
( resid 15 and name HB3 )
6.0 0.1 0.1 peak 592 volume 4.653e+03 ppm1 4.241 ppm2 1.899
ASSI ( resid 26 and name HD21 )
( resid 26 and name HD22 )
6.0 0.1 0.1 peak 594 volume 8.057e+04 ppm1 6.902 ppm2 7.332
ASSI ( resid 26 and name HD21 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 599 volume 7.680e+02 ppm1 6.902 ppm2 7.994
ASSI ( resid 26 and name HD22 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 600 volume 1.526e+03 ppm1 7.335 ppm2 7.993
ASSI ( resid 26 and name HA )
( resid 26 and name HD22 )
6.0 0.1 0.1 peak 602 volume 6.960e+02 ppm1 4.616 ppm2 7.325
ASSI ( resid 26 and name HA )
( resid 26 and name HD21 )
6.0 0.1 0.1 peak 603 volume 6.370e+02 ppm1 4.619 ppm2 6.891
ASSI ( resid 26 and name HB2 )
( resid 26 and name HD22 )
6.0 0.1 0.1 peak 604 volume 6.803e+03 ppm1 2.332 ppm2 7.326
ASSI ( resid 26 and name HB2 )
( resid 26 and name HD21 )
6.0 0.1 0.1 peak 605 volume 2.780e+03 ppm1 2.330 ppm2 6.890
ASSI ( resid 26 and name HB3 )
( resid 26 and name HD22 )
6.0 0.1 0.1 peak 606 volume 1.201e+04 ppm1 2.161 ppm2 7.325
ASSI ( resid 26 and name HB3 )
( resid 26 and name HD21 )
6.0 0.1 0.1 peak 607 volume 5.539e+03 ppm1 2.163 ppm2 6.890
ASSI ( resid 26 and name HB3 )
( resid 27 and name he# )
6.0 0.1 0.1 peak 613 volume 5.730e+03 ppm1 2.163 ppm2 6.666
ASSI ( resid 26 and name HB3 )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 614 volume 4.111e+03 ppm1 2.161 ppm2 6.264
ASSI ( resid 26 and name HB2 )
( resid 27 and name he# )
6.0 0.1 0.1 peak 615 volume 3.433e+03 ppm1 2.325 ppm2 6.665
ASSI ( resid 26 and name HB2 )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 616 volume 6.020e+02 ppm1 2.325 ppm2 6.262
ASSI ( resid 27 and name HB3 )
( resid 27 and name he# )
6.0 0.1 0.1 peak 617 volume 2.244e+03 ppm1 2.431 ppm2 6.666
ASSI ( resid 27 and name HB3 )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 618 volume 1.896e+04 ppm1 2.443 ppm2 6.262
ASSI ( resid 27 and name HB2 )
( resid 27 and name he# )
6.0 0.1 0.1 peak 619 volume 2.419e+03 ppm1 3.363 ppm2 6.666
ASSI ( resid 27 and name HB2 )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 620 volume 7.100e+03 ppm1 3.363 ppm2 6.262
ASSI ( resid 27 and name HA )
( resid 27 and name he# )
6.0 0.1 0.1 peak 621 volume 1.597e+03 ppm1 4.766 ppm2 6.665
ASSI ( resid 27 and name HA )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 622 volume 1.076e+04 ppm1 4.766 ppm2 6.262
ASSI ( resid 27 and name hd# )
( resid 27 and name HN )
6.0 0.1 0.1 peak 623 volume 4.850e+03 ppm1 6.266 ppm2 6.778
ASSI ( resid 38 and name HD2 )
( resid 18 and name HN )
6.0 0.1 0.1 peak 630 volume 1.895e+03 ppm1 3.521 ppm2 8.723
ASSI ( resid 20 and name HA )
( resid 20 and name hb# )
6.0 0.1 0.1 peak 632 volume 1.190e+04 ppm1 4.468 ppm2 4.025
ASSI ( resid 10 and name hb# )
( resid 11 and name HN )
6.0 0.1 0.1 peak 634 volume 1.448e+03 ppm1 1.660 ppm2 7.946
ASSI ( resid 10 and name HG )
( resid 11 and name HN )
6.0 0.1 0.1 peak 635 volume 1.525e+03 ppm1 1.594 ppm2 7.946
ASSI ( resid 17 and name HB3 )
( resid 18 and name HN )
6.0 0.1 0.1 peak 636 volume 2.504e+03 ppm1 2.479 ppm2 8.723
ASSI ( resid 17 and name HB2 )
( resid 18 and name HN )
6.0 0.1 0.1 peak 637 volume 1.674e+03 ppm1 3.213 ppm2 8.724
ASSI ( resid 17 and name HA )
( resid 18 and name HN )
6.0 0.1 0.1 peak 638 volume 8.453e+03 ppm1 4.396 ppm2 8.721
ASSI ( resid 18 and name HB3 )
( resid 18 and name HN )
6.0 0.1 0.1 peak 639 volume 1.316e+04 ppm1 2.708 ppm2 8.723
ASSI ( resid 18 and name HA )
( resid 19 and name HN )
6.0 0.1 0.1 peak 640 volume 2.897e+03 ppm1 4.681 ppm2 9.875
ASSI ( resid 18 and name HB2 )
( resid 19 and name HN )
6.0 0.1 0.1 peak 641 volume 1.405e+03 ppm1 3.166 ppm2 9.874
ASSI ( resid 18 and name HB3 )
( resid 19 and name HN )
6.0 0.1 0.1 peak 642 volume 6.224e+03 ppm1 2.735 ppm2 9.875
ASSI ( resid 18 and name HN )
( resid 19 and name HN )
6.0 0.1 0.1 peak 643 volume 1.495e+04 ppm1 8.731 ppm2 9.875
ASSI ( attr store1 < 4.112 and attr store1 > 4.072 )
( attr store1 < 8.453 and attr store1 > 8.423 )
6.0 0.1 0.1 peak 645 volume 3.618e+03 ppm1 4.092 ppm2 8.438
ASSI ( resid 39 and name HA )
( resid 40 and name HN )
6.0 0.1 0.1 peak 647 volume 1.194e+04 ppm1 4.169 ppm2 8.428
ASSI ( resid 39 and name hb# )
( resid 40 and name HN )
6.0 0.1 0.1 peak 648 volume 5.274e+03 ppm1 1.362 ppm2 8.427
ASSI ( resid 15 and name HD2 )
( resid 15 and name HG2 )
6.0 0.1 0.1 peak 651 volume 4.303e+03 ppm1 3.676 ppm2 2.180
ASSI ( resid 13 and name HA )
( resid 14 and name HN )
6.0 0.1 0.1 peak 652 volume 1.128e+03 ppm1 4.672 ppm2 9.645
ASSI ( resid 39 and name HN )
( resid 38 and name HN )
6.0 0.1 0.1 peak 653 volume 1.348e+04 ppm1 7.384 ppm2 8.723
ASSI ( resid 38 and name HA )
( resid 39 and name HN )
6.0 0.1 0.1 peak 654 volume 6.170e+02 ppm1 4.710 ppm2 7.382
ASSI ( resid 39 and name HN )
( resid 40 and name HN )
6.0 0.1 0.1 peak 655 volume 2.427e+03 ppm1 7.387 ppm2 8.427
ASSI ( resid 20 and name HA )
( resid 21 and name HN )
6.0 0.1 0.1 peak 656 volume 2.654e+04 ppm1 4.471 ppm2 8.106
ASSI ( resid 20 and name hb# )
( resid 21 and name HN )
6.0 0.1 0.1 peak 657 volume 1.341e+04 ppm1 4.025 ppm2 8.104
ASSI ( resid 25 and name HA1 )
( resid 25 and name HN )
6.0 0.1 0.1 peak 659 volume 9.114e+03 ppm1 4.229 ppm2 8.397
ASSI ( resid 25 and name HA1 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 660 volume 2.552e+03 ppm1 4.229 ppm2 7.996
ASSI ( resid 6 and name HD2 )
( resid 6 and name HE1 )
6.0 0.1 0.1 peak 661 volume 2.840e+02 ppm1 7.133 ppm2 8.170
ASSI ( resid 38 and name HD3 )
( resid 38 and name HE )
6.0 0.1 0.1 peak 663 volume 3.490e+04 ppm1 3.122 ppm2 7.492
ASSI ( resid 38 and name HD2 )
( resid 38 and name HD3 )
6.0 0.1 0.1 peak 664 volume 4.282e+04 ppm1 3.527 ppm2 3.124
ASSI ( resid 38 and name HD3 )
( resid 38 and name hg# )
6.0 0.1 0.1 peak 665 volume 2.755e+03 ppm1 3.131 ppm2 1.408
ASSI ( resid 38 and name HD3 )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 666 volume 0.000e+00 ppm1 3.124 ppm2 1.738
ASSI ( attr store1 < 4.297 and attr store1 > 4.257 )
( attr store1 < 9.088 and attr store1 > 9.058 )
6.0 0.1 0.1 peak 667 volume 7.781e+03 ppm1 4.277 ppm2 9.073
ASSI ( resid 15 and name HB2 )
( resid 16 and name HN )
6.0 0.1 0.1 peak 669 volume 1.913e+03 ppm1 2.316 ppm2 9.072
ASSI ( resid 15 and name HG3 )
( resid 16 and name HN )
6.0 0.1 0.1 peak 670 volume 8.040e+02 ppm1 2.004 ppm2 9.074
ASSI ( resid 15 and name HB3 )
( resid 16 and name HN )
6.0 0.1 0.1 peak 671 volume 2.487e+03 ppm1 1.899 ppm2 9.074
ASSI ( resid 15 and name HG3 )
( resid 15 and name HB3 )
6.0 0.1 0.1 peak 672 volume 6.887e+03 ppm1 2.001 ppm2 1.900
ASSI ( resid 13 and name HA )
( resid 13 and name hg# )
6.0 0.1 0.1 peak 675 volume 1.930e+03 ppm1 4.677 ppm2 1.935
ASSI ( resid 13 and name HB2 )
( resid 13 and name hg# )
6.0 0.1 0.1 peak 676 volume 3.105e+04 ppm1 2.250 ppm2 1.932
ASSI ( resid 24 and name HB )
( resid 24 and name HN )
6.0 0.1 0.1 peak 679 volume 1.377e+04 ppm1 5.894 ppm2 9.498
ASSI ( resid 38 and name HD3 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 680 volume 1.175e+03 ppm1 3.120 ppm2 8.727
ASSI ( resid 25 and name HA1 )
( resid 25 and name HA2 )
6.0 0.1 0.1 peak 682 volume 1.410e+04 ppm1 4.229 ppm2 4.090
ASSI ( resid 30 and name HB2 )
( resid 30 and name HE1 )
6.0 0.1 0.1 peak 684 volume 5.320e+02 ppm1 3.358 ppm2 7.493
ASSI ( resid 30 and name HB3 )
( resid 30 and name HE1 )
6.0 0.1 0.1 peak 685 volume 9.870e+02 ppm1 3.255 ppm2 7.493
ASSI ( resid 30 and name HA )
( resid 22 and name HD2 )
6.0 0.1 0.1 peak 686 volume 8.437e+03 ppm1 5.121 ppm2 7.644
ASSI ( attr store1 < 3.382 and attr store1 > 3.342 )
( attr store1 < 7.659 and attr store1 > 7.629 )
6.0 0.1 0.1 peak 687 volume 8.700e+03 ppm1 3.362 ppm2 7.644
ASSI ( attr store1 < 3.287 and attr store1 > 3.247 )
( attr store1 < 7.659 and attr store1 > 7.629 )
6.0 0.1 0.1 peak 689 volume 4.062e+03 ppm1 3.267 ppm2 7.644
ASSI ( resid 30 and name HB2 )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 690 volume 7.930e+02 ppm1 3.360 ppm2 8.187
ASSI ( attr store1 < 3.915 and attr store1 > 3.875 )
( attr store1 < 8.204 and attr store1 > 8.174 )
6.0 0.1 0.1 peak 691 volume 1.314e+03 ppm1 3.895 ppm2 8.189
ASSI ( attr store1 < 3.986 and attr store1 > 3.946 )
( attr store1 < 8.204 and attr store1 > 8.174 )
6.0 0.1 0.1 peak 692 volume 2.657e+03 ppm1 3.966 ppm2 8.189
ASSI ( resid 22 and name HD2 )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 693 volume 5.900e+02 ppm1 7.647 ppm2 8.180
ASSI ( resid 6 and name HA )
( resid 6 and name HD2 )
6.0 0.1 0.1 peak 694 volume 1.460e+02 ppm1 4.678 ppm2 7.145
ASSI ( resid 6 and name HB2 )
( resid 6 and name HD2 )
6.0 0.1 0.1 peak 695 volume 7.180e+02 ppm1 3.172 ppm2 7.146
ASSI ( resid 6 and name HB3 )
( resid 6 and name HD2 )
6.0 0.1 0.1 peak 696 volume 1.490e+03 ppm1 3.143 ppm2 7.147
ASSI ( resid 38 and name HD3 )
( resid 38 and name HB3 )
6.0 0.1 0.1 peak 697 volume 8.067e+03 ppm1 3.130 ppm2 1.581
ASSI ( resid 38 and name HB3 )
( resid 38 and name hg# )
6.0 0.1 0.1 peak 698 volume 1.401e+04 ppm1 1.577 ppm2 1.409
ASSI ( resid 38 and name HB2 )
( resid 38 and name HB3 )
6.0 0.1 0.1 peak 699 volume 1.483e+04 ppm1 1.738 ppm2 1.576
ASSI ( resid 38 and name HA )
( resid 38 and name HD3 )
6.0 0.1 0.1 peak 700 volume 9.136e+03 ppm1 4.707 ppm2 3.140
ASSI ( resid 37 and name HA )
( resid 38 and name HN )
6.0 0.1 0.1 peak 701 volume 2.098e+03 ppm1 4.463 ppm2 8.726
ASSI ( resid 37 and name HD2 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 702 volume 6.219e+03 ppm1 3.611 ppm2 8.727
ASSI ( attr store1 < 3.632 and attr store1 > 3.592 )
( attr store1 < 7.508 and attr store1 > 7.478 )
6.0 0.1 0.1 peak 704 volume 1.392e+04 ppm1 3.612 ppm2 7.493
ASSI ( attr store1 < 4.479 and attr store1 > 4.439 )
( attr store1 < 7.508 and attr store1 > 7.478 )
6.0 0.1 0.1 peak 706 volume 1.262e+03 ppm1 4.459 ppm2 7.493
ASSI ( resid 38 and name HA )
( resid 38 and name HE )
6.0 0.1 0.1 peak 707 volume 1.165e+03 ppm1 4.706 ppm2 7.492
ASSI ( resid 37 and name hb# )
( resid 38 and name HE )
6.0 0.1 0.1 peak 708 volume 8.430e+02 ppm1 2.211 ppm2 7.493
ASSI ( resid 37 and name hg# )
( resid 38 and name HE )
6.0 0.1 0.1 peak 709 volume 2.294e+03 ppm1 1.965 ppm2 7.493
ASSI ( resid 37 and name hb# )
( resid 38 and name HN )
6.0 0.1 0.1 peak 710 volume 3.910e+02 ppm1 2.207 ppm2 8.727
ASSI ( resid 37 and name hg# )
( resid 38 and name HN )
6.0 0.1 0.1 peak 711 volume 1.045e+03 ppm1 1.967 ppm2 8.726
ASSI ( resid 44 and name HA )
( resid 44 and name hb# )
6.0 0.1 0.1 peak 712 volume 5.444e+03 ppm1 4.459 ppm2 1.642
ASSI ( resid 44 and name HA )
( resid 44 and name hd1# )
6.0 0.1 0.1 peak 713 volume 2.170e+03 ppm1 4.457 ppm2 0.933
ASSI ( resid 44 and name HA )
( resid 44 and name hd2# )
6.0 0.1 0.1 peak 714 volume 7.597e+03 ppm1 4.457 ppm2 0.870
ASSI ( resid 44 and name hb# )
( resid 44 and name hd1# )
6.0 0.1 0.1 peak 715 volume 2.775e+03 ppm1 1.645 ppm2 0.932
ASSI ( resid 44 and name hb# )
( resid 44 and name hd2# )
6.0 0.1 0.1 peak 716 volume 6.008e+03 ppm1 1.643 ppm2 0.863
ASSI ( resid 31 and name HA )
( resid 31 and name HD2 )
6.0 0.1 0.1 peak 721 volume 5.520e+02 ppm1 4.533 ppm2 3.198
ASSI ( resid 31 and name HA )
( resid 31 and name HD3 )
6.0 0.1 0.1 peak 722 volume 5.670e+02 ppm1 4.533 ppm2 3.127
ASSI ( resid 31 and name HA )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 723 volume 7.315e+03 ppm1 4.533 ppm2 1.920
ASSI ( resid 31 and name HA )
( resid 31 and name HB3 )
6.0 0.1 0.1 peak 724 volume 2.051e+03 ppm1 4.530 ppm2 1.610
ASSI ( resid 31 and name HD2 )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 725 volume 2.214e+03 ppm1 3.199 ppm2 1.920
ASSI ( resid 31 and name HD3 )
( resid 31 and name HB2 )
6.0 0.1 0.1 peak 726 volume 4.186e+03 ppm1 3.150 ppm2 1.924
ASSI ( resid 31 and name HD2 )
( resid 31 and name HB3 )
6.0 0.1 0.1 peak 727 volume 6.460e+02 ppm1 3.196 ppm2 1.606
ASSI ( resid 31 and name HD3 )
( resid 31 and name HB3 )
6.0 0.1 0.1 peak 728 volume 3.220e+03 ppm1 3.149 ppm2 1.609
ASSI ( resid 31 and name HD2 )
( resid 31 and name hg# )
6.0 0.1 0.1 peak 729 volume 5.921e+03 ppm1 3.201 ppm2 1.539
ASSI ( resid 31 and name HD3 )
( resid 31 and name hg# )
6.0 0.1 0.1 peak 730 volume 6.183e+03 ppm1 3.150 ppm2 1.539
ASSI ( resid 31 and name HB2 )
( resid 31 and name HB3 )
6.0 0.1 0.1 peak 731 volume 4.972e+04 ppm1 1.926 ppm2 1.609
ASSI ( resid 31 and name HB2 )
( resid 31 and name hg# )
6.0 0.1 0.1 peak 732 volume 2.437e+04 ppm1 1.926 ppm2 1.541
ASSI ( resid 6 and name HA )
( resid 6 and name HN )
6.0 0.1 0.1 peak 735 volume 2.375e+03 ppm1 4.677 ppm2 8.435
ASSI ( resid 37 and name HA )
( resid 22 and name HN )
6.0 0.1 0.1 peak 737 volume 1.243e+03 ppm1 4.463 ppm2 8.672
ASSI ( attr store1 < 2.227 and attr store1 > 2.187 )
( attr store1 < 8.687 and attr store1 > 8.657 )
6.0 0.1 0.1 peak 741 volume 6.200e+02 ppm1 2.207 ppm2 8.672
ASSI ( attr store1 < 1.987 and attr store1 > 1.947 )
( attr store1 < 8.686 and attr store1 > 8.656 )
6.0 0.1 0.1 peak 742 volume 4.090e+03 ppm1 1.967 ppm2 8.671
ASSI ( resid 33 and name HA )
( resid 34 and name HN )
6.0 0.1 0.1 peak 748 volume 1.885e+03 ppm1 4.270 ppm2 8.474
ASSI ( resid 34 and name HN )
( resid 33 and name HN )
6.0 0.1 0.1 peak 751 volume 2.500e+03 ppm1 8.482 ppm2 9.260
ASSI ( resid 34 and name HA )
( resid 34 and name hb# )
6.0 0.1 0.1 peak 753 volume 2.533e+04 ppm1 4.096 ppm2 3.906
ASSI ( attr store1 < 3.167 and attr store1 > 3.127 )
( attr store1 < 8.195 and attr store1 > 8.165 )
6.0 0.1 0.1 peak 759 volume 2.042e+03 ppm1 3.147 ppm2 8.180
ASSI ( resid 35 and name ha# )
( resid 35 and name HN )
6.0 0.1 0.1 peak 761 volume 3.594e+03 ppm1 3.929 ppm2 7.495
ASSI ( resid 40 and name hz# )
( resid 40 and name HN )
6.0 0.1 0.1 peak 762 volume 2.107e+03 ppm1 7.499 ppm2 8.431
ASSI ( resid 40 and name he# )
( resid 40 and name hz# )
6.0 0.1 0.1 peak 764 volume 5.798e+03 ppm1 2.963 ppm2 7.492
ASSI ( resid 30 and name HD2 )
( resid 30 and name HE1 )
6.0 0.1 0.1 peak 768 volume 1.675e+03 ppm1 7.166 ppm2 7.502
ASSI ( attr store1 < 7.52 and attr store1 > 7.48 )
( attr store1 < 9.889 and attr store1 > 9.859 )
6.0 0.1 0.1 peak 769 volume 1.956e+03 ppm1 7.500 ppm2 9.874
ASSI ( resid 22 and name HE1 )
( resid 24 and name HN )
6.0 0.1 0.1 peak 770 volume 6.870e+02 ppm1 8.182 ppm2 9.497
ASSI ( resid 21 and name HN )
( resid 30 and name HN )
6.0 0.1 0.1 peak 771 volume 2.014e+03 ppm1 8.108 ppm2 9.034
ASSI ( resid 30 and name HE1 )
( resid 30 and name HN )
6.0 0.1 0.1 peak 772 volume 2.800e+02 ppm1 7.501 ppm2 9.034
ASSI ( resid 35 and name HN )
( resid 34 and name HN )
6.0 0.1 0.1 peak 773 volume 1.556e+03 ppm1 7.498 ppm2 8.476
ASSI ( resid 35 and name HN )
( resid 23 and name HN )
6.0 0.1 0.1 peak 774 volume 1.202e+03 ppm1 7.496 ppm2 8.014
ASSI ( resid 20 and name HN )
( resid 18 and name HN )
6.0 0.1 0.1 peak 775 volume 0.000e+00 ppm1 8.441 ppm2 8.720
ASSI ( resid 24 and name HB )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 778 volume 3.995e+03 ppm1 5.897 ppm2 6.262
ASSI ( resid 27 and name hd# )
( resid 26 and name HN )
6.0 0.1 0.1 peak 779 volume 8.790e+02 ppm1 6.269 ppm2 7.993
ASSI ( resid 24 and name HB )
( resid 26 and name HN )
6.0 0.1 0.1 peak 780 volume 5.940e+02 ppm1 5.886 ppm2 7.995
ASSI ( resid 24 and name HB )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 781 volume 1.887e+03 ppm1 5.897 ppm2 8.181
ASSI ( resid 29 and name HA )
( resid 21 and name HN )
6.0 0.1 0.1 peak 782 volume 3.198e+03 ppm1 5.611 ppm2 8.106
ASSI ( resid 24 and name HB )
( resid 25 and name HN )
6.0 0.1 0.1 peak 783 volume 1.109e+03 ppm1 5.896 ppm2 8.398
ASSI ( resid 27 and name hd# )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 784 volume 7.670e+02 ppm1 6.264 ppm2 8.185
ASSI ( resid 27 and name he# )
( resid 22 and name HE1 )
6.0 0.1 0.1 peak 785 volume 1.285e+03 ppm1 6.665 ppm2 8.184
ASSI ( resid 27 and name HN )
( resid 25 and name HN )
6.0 0.1 0.1 peak 786 volume 1.704e+03 ppm1 6.785 ppm2 8.396
ASSI ( resid 27 and name hd# )
( resid 28 and name HN )
6.0 0.1 0.1 peak 787 volume 1.632e+03 ppm1 6.259 ppm2 8.956
ASSI ( resid 17 and name HA )
( resid 19 and name HN )
6.0 0.1 0.1 peak 790 volume 1.307e+03 ppm1 4.407 ppm2 9.877
ASSI ( resid 17 and name HB3 )
( resid 14 and name hg2# )
6.0 0.1 0.1 peak 792 volume 1.221e+04 ppm1 2.486 ppm2 1.056
ASSI ( resid 17 and name HB2 )
( resid 14 and name hg2# )
6.0 0.1 0.1 peak 793 volume 2.100e+03 ppm1 3.210 ppm2 1.051
ASSI ( resid 40 and name he# )
( resid 33 and name hd1# )
6.0 0.1 0.1 peak 796 volume 6.750e+02 ppm1 2.958 ppm2 0.954
ASSI ( resid 17 and name HB2 )
( resid 33 and name hd1# )
6.0 0.1 0.1 peak 797 volume 1.252e+03 ppm1 3.208 ppm2 0.954
ASSI ( resid 13 and name HB2 )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 799 volume 1.452e+03 ppm1 2.249 ppm2 0.934
ASSI ( resid 13 and name hg# )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 800 volume 9.890e+02 ppm1 1.927 ppm2 0.924
ASSI ( resid 37 and name hg# )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 801 volume 6.123e+03 ppm1 1.958 ppm2 1.743
ASSI ( resid 37 and name hb# )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 802 volume 6.127e+03 ppm1 2.206 ppm2 1.742
ASSI ( attr store1 < 2.226 and attr store1 > 2.186 )
( attr store1 < 1.642 and attr store1 > 1.612 )
6.0 0.1 0.1 peak 803 volume 7.796e+03 ppm1 2.206 ppm2 1.627
ASSI ( attr store1 < 1.675 and attr store1 > 1.635 )
( attr store1 < 1.455 and attr store1 > 1.425 )
6.0 0.1 0.1 peak 809 volume 6.248e+03 ppm1 1.655 ppm2 1.440
ASSI ( resid 33 and name hd1# )
( resid 14 and name HN )
6.0 0.1 0.1 peak 810 volume 5.180e+02 ppm1 0.952 ppm2 9.644
ASSI ( resid 13 and name hg# )
( resid 14 and name HN )
6.0 0.1 0.1 peak 811 volume 1.722e+03 ppm1 1.937 ppm2 9.643
ASSI ( resid 13 and name HB2 )
( resid 14 and name HN )
6.0 0.1 0.1 peak 812 volume 2.060e+03 ppm1 2.251 ppm2 9.644
ASSI ( attr store1 < 2.495 and attr store1 > 2.455 )
( attr store1 < 9.66 and attr store1 > 9.63 )
6.0 0.1 0.1 peak 813 volume 3.636e+03 ppm1 2.475 ppm2 9.645
ASSI ( attr store1 < 3.231 and attr store1 > 3.191 )
( attr store1 < 9.658 and attr store1 > 9.628 )
6.0 0.1 0.1 peak 814 volume 1.874e+03 ppm1 3.211 ppm2 9.643
ASSI ( resid 13 and name HD3 )
( resid 14 and name HN )
6.0 0.1 0.1 peak 815 volume 9.670e+02 ppm1 3.977 ppm2 9.646
ASSI ( resid 13 and name HD3 )
( resid 33 and name HN )
6.0 0.1 0.1 peak 816 volume 7.850e+02 ppm1 3.980 ppm2 9.260
ASSI ( resid 33 and name HG )
( resid 33 and name HN )
6.0 0.1 0.1 peak 817 volume 4.902e+03 ppm1 1.579 ppm2 9.259
ASSI ( resid 33 and name hd1# )
( resid 33 and name HN )
6.0 0.1 0.1 peak 818 volume 1.616e+03 ppm1 0.954 ppm2 9.260
ASSI ( resid 23 and name hg2# )
( resid 24 and name HN )
6.0 0.1 0.1 peak 819 volume 2.342e+03 ppm1 0.916 ppm2 9.500
ASSI ( resid 14 and name hg2# )
( resid 17 and name HN )
6.0 0.1 0.1 peak 820 volume 2.130e+03 ppm1 1.054 ppm2 7.944
ASSI ( resid 23 and name HB )
( resid 23 and name HN )
6.0 0.1 0.1 peak 821 volume 2.050e+04 ppm1 1.175 ppm2 8.006
ASSI ( resid 23 and name HG13 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 822 volume 3.764e+03 ppm1 1.257 ppm2 8.006
ASSI ( attr store1 < 0.944 and attr store1 > 0.904 )
( attr store1 < 7.517 and attr store1 > 7.487 )
6.0 0.1 0.1 peak 824 volume 1.771e+03 ppm1 0.924 ppm2 7.502
ASSI ( resid 24 and name hg2# )
( resid 27 and name he# )
6.0 0.1 0.1 peak 826 volume 4.322e+03 ppm1 1.621 ppm2 6.662
ASSI ( resid 24 and name hg2# )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 827 volume 1.843e+03 ppm1 1.621 ppm2 6.260
ASSI ( resid 14 and name hg2# )
( resid 40 and name HN )
6.0 0.1 0.1 peak 828 volume 7.280e+02 ppm1 1.053 ppm2 8.425
ASSI ( resid 14 and name hg2# )
( resid 39 and name HN )
6.0 0.1 0.1 peak 829 volume 5.560e+02 ppm1 1.051 ppm2 7.381
ASSI ( resid 33 and name hd1# )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 830 volume 1.840e+02 ppm1 0.953 ppm2 7.163
ASSI ( resid 23 and name hg2# )
( resid 25 and name HN )
6.0 0.1 0.1 peak 831 volume 7.030e+02 ppm1 0.915 ppm2 8.399
ASSI ( resid 33 and name hd1# )
( resid 34 and name HN )
6.0 0.1 0.1 peak 832 volume 1.330e+02 ppm1 0.953 ppm2 8.474
ASSI ( resid 14 and name hg2# )
( resid 18 and name HN )
6.0 0.1 0.1 peak 833 volume 4.550e+02 ppm1 1.053 ppm2 8.723
ASSI ( resid 23 and name HB )
( resid 24 and name HN )
6.0 0.1 0.1 peak 834 volume 1.244e+03 ppm1 1.174 ppm2 9.500
ASSI ( resid 23 and name HG13 )
( resid 24 and name HN )
6.0 0.1 0.1 peak 835 volume 4.760e+02 ppm1 1.263 ppm2 9.500
ASSI ( resid 13 and name HB2 )
( resid 33 and name HN )
6.0 0.1 0.1 peak 836 volume 7.500e+02 ppm1 2.249 ppm2 9.265
ASSI ( resid 13 and name hg# )
( resid 33 and name HN )
6.0 0.1 0.1 peak 837 volume 2.790e+02 ppm1 1.931 ppm2 9.259
ASSI ( resid 22 and name HB3 )
( resid 24 and name HN )
6.0 0.1 0.1 peak 838 volume 5.400e+02 ppm1 2.677 ppm2 9.498
ASSI ( resid 19 and name HA2 )
( resid 30 and name HN )
6.0 0.1 0.1 peak 839 volume 5.170e+02 ppm1 2.707 ppm2 9.033
ASSI ( attr store1 < 3.699 and attr store1 > 3.659 )
( attr store1 < 9.66 and attr store1 > 9.63 )
6.0 0.1 0.1 peak 840 volume 3.480e+02 ppm1 3.679 ppm2 9.645
ASSI ( resid 37 and name HD2 )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 841 volume 5.440e+02 ppm1 3.616 ppm2 7.163
ASSI ( attr store1 < 2.983 and attr store1 > 2.943 )
( attr store1 < 7.177 and attr store1 > 7.147 )
6.0 0.1 0.1 peak 842 volume 2.910e+03 ppm1 2.963 ppm2 7.162
ASSI ( resid 12 and name HB2 )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 843 volume 3.733e+03 ppm1 2.714 ppm2 7.164
ASSI ( resid 12 and name HB3 )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 844 volume 5.189e+03 ppm1 2.398 ppm2 7.162
ASSI ( resid 22 and name HB3 )
( resid 27 and name HN )
6.0 0.1 0.1 peak 845 volume 3.244e+03 ppm1 2.674 ppm2 6.778
ASSI ( resid 22 and name HB3 )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 846 volume 1.032e+03 ppm1 2.674 ppm2 6.261
ASSI ( resid 27 and name HB2 )
( resid 29 and name HN )
6.0 0.1 0.1 peak 849 volume 4.764e+03 ppm1 3.364 ppm2 7.802
ASSI ( resid 22 and name HB2 )
( resid 25 and name HN )
6.0 0.1 0.1 peak 850 volume 1.204e+03 ppm1 3.360 ppm2 8.399
ASSI ( attr store1 < 2.449 and attr store1 > 2.409 )
( attr store1 < 7.658 and attr store1 > 7.628 )
6.0 0.1 0.1 peak 852 volume 6.377e+03 ppm1 2.429 ppm2 7.643
ASSI ( resid 12 and name HB3 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 853 volume 9.600e+02 ppm1 2.397 ppm2 7.535
ASSI ( attr store1 < 1.933 and attr store1 > 1.893 )
( attr store1 < 7.552 and attr store1 > 7.522 )
6.0 0.1 0.1 peak 854 volume 6.220e+02 ppm1 1.913 ppm2 7.537
ASSI ( attr store1 < 1.622 and attr store1 > 1.582 )
( attr store1 < 7.551 and attr store1 > 7.521 )
6.0 0.1 0.1 peak 855 volume 6.780e+02 ppm1 1.602 ppm2 7.536
ASSI ( attr store1 < 1.571 and attr store1 > 1.531 )
( attr store1 < 7.552 and attr store1 > 7.522 )
6.0 0.1 0.1 peak 856 volume 1.172e+03 ppm1 1.551 ppm2 7.537
ASSI ( resid 24 and name hg2# )
( resid 26 and name HD21 )
6.0 0.1 0.1 peak 857 volume 9.810e+02 ppm1 1.620 ppm2 6.890
ASSI ( attr store1 < 1.545 and attr store1 > 1.505 )
( attr store1 < 8.122 and attr store1 > 8.092 )
6.0 0.1 0.1 peak 858 volume 3.760e+02 ppm1 1.525 ppm2 8.107
ASSI ( resid 38 and name HB2 )
( resid 39 and name HN )
6.0 0.1 0.1 peak 859 volume 3.771e+03 ppm1 1.736 ppm2 7.382
ASSI ( resid 38 and name HB3 )
( resid 39 and name HN )
6.0 0.1 0.1 peak 860 volume 9.530e+02 ppm1 1.581 ppm2 7.382
ASSI ( resid 24 and name hg2# )
( resid 26 and name HD22 )
6.0 0.1 0.1 peak 861 volume 1.673e+03 ppm1 1.621 ppm2 7.325
ASSI ( attr store1 < 3.956 and attr store1 > 3.916 )
( attr store1 < 7.661 and attr store1 > 7.631 )
6.0 0.1 0.1 peak 862 volume 3.940e+02 ppm1 3.936 ppm2 7.646
ASSI ( attr store1 < 4.714 and attr store1 > 4.674 )
( attr store1 < 7.66 and attr store1 > 7.63 )
6.0 0.1 0.1 peak 863 volume 1.699e+03 ppm1 4.694 ppm2 7.645
ASSI ( resid 31 and name HA )
( resid 32 and name HN )
6.0 0.1 0.1 peak 864 volume 1.523e+03 ppm1 4.527 ppm2 7.537
ASSI ( resid 24 and name HA )
( resid 26 and name HD22 )
6.0 0.1 0.1 peak 868 volume 5.034e+03 ppm1 4.459 ppm2 7.326
ASSI ( attr store1 < 4.294 and attr store1 > 4.254 )
( attr store1 < 7.178 and attr store1 > 7.148 )
6.0 0.1 0.1 peak 869 volume 9.380e+02 ppm1 4.274 ppm2 7.163
ASSI ( resid 12 and name HA )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 870 volume 2.387e+03 ppm1 4.122 ppm2 7.163
ASSI ( resid 29 and name HB2 )
( resid 31 and name HE )
6.0 0.1 0.1 peak 871 volume 5.220e+02 ppm1 3.955 ppm2 7.162
ASSI ( resid 25 and name HA2 )
( resid 27 and name HN )
6.0 0.1 0.1 peak 872 volume 3.150e+02 ppm1 4.087 ppm2 6.780
ASSI ( resid 24 and name HA )
( resid 26 and name HD21 )
6.0 0.1 0.1 peak 873 volume 1.843e+03 ppm1 4.458 ppm2 6.889
ASSI ( resid 27 and name HA )
( resid 29 and name HN )
6.0 0.1 0.1 peak 877 volume 8.930e+02 ppm1 4.769 ppm2 7.798
ASSI ( resid 9 and name HA )
( resid 11 and name HN )
6.0 0.1 0.1 peak 879 volume 2.810e+02 ppm1 4.544 ppm2 7.948
ASSI ( resid 14 and name HA )
( resid 17 and name HN )
6.0 0.1 0.1 peak 880 volume 1.291e+03 ppm1 4.269 ppm2 7.944
ASSI ( resid 37 and name HD2 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 882 volume 3.110e+02 ppm1 3.614 ppm2 8.007
ASSI ( resid 29 and name HB3 )
( resid 21 and name HN )
6.0 0.1 0.1 peak 883 volume 1.562e+03 ppm1 3.905 ppm2 8.103
ASSI ( resid 23 and name HA )
( resid 25 and name HN )
6.0 0.1 0.1 peak 884 volume 7.210e+02 ppm1 3.894 ppm2 8.398
ASSI ( resid 13 and name HD2 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 889 volume 5.040e+02 ppm1 4.274 ppm2 8.773
ASSI ( attr store1 < 4.197 and attr store1 > 4.157 )
( attr store1 < 8.749 and attr store1 > 8.719 )
6.0 0.1 0.1 peak 891 volume 3.370e+02 ppm1 4.177 ppm2 8.734
ASSI ( resid 24 and name HA )
( resid 26 and name HN )
6.0 0.1 0.1 peak 895 volume 3.664e+03 ppm1 4.460 ppm2 7.994
ASSI ( resid 12 and name HA )
( resid 14 and name HN )
6.0 0.1 0.1 peak 896 volume 5.440e+02 ppm1 4.121 ppm2 9.645
ASSI ( resid 12 and name HB2 )
( resid 14 and name HN )
6.0 0.1 0.1 peak 898 volume 1.427e+03 ppm1 2.710 ppm2 9.642
ASSI ( resid 22 and name HB2 )
( resid 24 and name HN )
6.0 0.1 0.1 peak 900 volume 4.300e+02 ppm1 3.365 ppm2 9.499
ASSI ( attr store1 < 3.226 and attr store1 > 3.186 )
( attr store1 < 9.891 and attr store1 > 9.861 )
6.0 0.1 0.1 peak 902 volume 6.910e+02 ppm1 3.206 ppm2 9.876
ASSI ( resid 27 and name HB3 )
( resid 29 and name HN )
6.0 0.1 0.1 peak 903 volume 2.516e+03 ppm1 2.427 ppm2 7.800
ASSI ( resid 22 and name HB3 )
( resid 25 and name HN )
6.0 0.1 0.1 peak 904 volume 1.913e+03 ppm1 2.681 ppm2 8.399
ASSI ( resid 12 and name HA )
( resid 12 and name HB2 )
6.0 0.1 0.1 peak 907 volume 1.208e+04 ppm1 4.122 ppm2 2.711
ASSI ( resid 19 and name HA1 )
( resid 19 and name HA2 )
6.0 0.1 0.1 peak 910 volume 2.712e+04 ppm1 4.090 ppm2 2.690
ASSI ( resid 21 and name HA1 )
( resid 21 and name HA2 )
6.0 0.1 0.1 peak 913 volume 2.189e+04 ppm1 4.395 ppm2 3.798
ASSI ( resid 23 and name hg2# )
( resid 23 and name HN )
6.0 0.1 0.1 peak 914 volume 5.016e+03 ppm1 0.917 ppm2 8.004
ASSI ( resid 23 and name HG12 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 915 volume 2.419e+03 ppm1 1.396 ppm2 8.004
ASSI ( resid 23 and name HG12 )
( resid 23 and name HG13 )
6.0 0.1 0.1 peak 917 volume 1.125e+04 ppm1 1.395 ppm2 1.258
ASSI ( resid 23 and name HG12 )
( resid 23 and name HB )
6.0 0.1 0.1 peak 918 volume 1.279e+04 ppm1 1.395 ppm2 1.173
ASSI ( resid 23 and name HG12 )
( resid 23 and name hg2# )
6.0 0.1 0.1 peak 919 volume 1.147e+04 ppm1 1.396 ppm2 0.913
ASSI ( resid 23 and name HG13 )
( resid 23 and name hg2# )
6.0 0.1 0.1 peak 920 volume 8.215e+03 ppm1 1.259 ppm2 0.912
ASSI ( resid 23 and name HB )
( resid 23 and name hg2# )
6.0 0.1 0.1 peak 921 volume 1.512e+04 ppm1 1.173 ppm2 0.912
ASSI ( resid 23 and name HA )
( resid 23 and name HG12 )
6.0 0.1 0.1 peak 922 volume 3.583e+03 ppm1 3.897 ppm2 1.394
ASSI ( resid 23 and name HA )
( resid 23 and name HG13 )
6.0 0.1 0.1 peak 923 volume 2.228e+03 ppm1 3.897 ppm2 1.261
ASSI ( resid 23 and name HA )
( resid 23 and name HB )
6.0 0.1 0.1 peak 924 volume 5.868e+03 ppm1 3.896 ppm2 1.173
ASSI ( resid 23 and name HA )
( resid 23 and name hd1# )
6.0 0.1 0.1 peak 925 volume 7.603e+03 ppm1 3.897 ppm2 0.880
ASSI ( resid 24 and name HB )
( resid 24 and name HA )
6.0 0.1 0.1 peak 926 volume 6.960e+02 ppm1 5.897 ppm2 4.458
ASSI ( resid 24 and name HB )
( resid 24 and name hg2# )
6.0 0.1 0.1 peak 927 volume 4.503e+03 ppm1 5.897 ppm2 1.620
ASSI ( attr store1 < 4.48 and attr store1 > 4.44 )
( attr store1 < 1.636 and attr store1 > 1.606 )
6.0 0.1 0.1 peak 928 volume 7.714e+03 ppm1 4.460 ppm2 1.621
ASSI ( resid 33 and name HA )
( resid 33 and name hd1# )
6.0 0.1 0.1 peak 929 volume 1.558e+03 ppm1 4.271 ppm2 0.955
ASSI ( resid 33 and name hb# )
( resid 33 and name hd1# )
6.0 0.1 0.1 peak 931 volume 5.092e+03 ppm1 1.761 ppm2 0.953
ASSI ( resid 33 and name HA )
( resid 33 and name HG )
6.0 0.1 0.1 peak 934 volume 2.638e+03 ppm1 4.273 ppm2 1.578
ASSI ( resid 33 and name HG )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 935 volume 1.380e+04 ppm1 1.579 ppm2 0.925
ASSI ( resid 34 and name HA )
( resid 34 and name HN )
6.0 0.1 0.1 peak 937 volume 2.713e+03 ppm1 4.095 ppm2 8.474
ASSI ( resid 34 and name hb# )
( resid 34 and name HN )
6.0 0.1 0.1 peak 938 volume 1.559e+03 ppm1 3.908 ppm2 8.474
ASSI ( resid 34 and name HA )
( resid 35 and name HN )
6.0 0.1 0.1 peak 940 volume 1.885e+03 ppm1 4.091 ppm2 7.496
ASSI ( resid 40 and name HB2 )
( resid 40 and name hg# )
6.0 0.1 0.1 peak 943 volume 5.332e+03 ppm1 1.819 ppm2 1.450
ASSI ( resid 40 and name HB3 )
( resid 40 and name hg# )
6.0 0.1 0.1 peak 944 volume 3.852e+03 ppm1 1.769 ppm2 1.450
ASSI ( resid 40 and name hd# )
( resid 40 and name hg# )
6.0 0.1 0.1 peak 945 volume 6.090e+03 ppm1 1.691 ppm2 1.450
ASSI ( resid 41 and name he# )
( resid 41 and name HG2 )
6.0 0.1 0.1 peak 947 volume 4.660e+02 ppm1 2.986 ppm2 1.460
ASSI ( resid 41 and name HA )
( resid 41 and name HG3 )
6.0 0.1 0.1 peak 948 volume 4.150e+02 ppm1 4.341 ppm2 1.361
ASSI ( resid 40 and name HA )
( resid 39 and name hb# )
6.0 0.1 0.1 peak 949 volume 1.864e+03 ppm1 4.273 ppm2 1.361
ASSI ( attr store1 < 4.294 and attr store1 > 4.254 )
( attr store1 < 1.475 and attr store1 > 1.445 )
6.0 0.1 0.1 peak 950 volume 6.750e+02 ppm1 4.274 ppm2 1.460
ASSI ( resid 44 and name HG )
( resid 44 and name HN )
6.0 0.1 0.1 peak 951 volume 1.426e+04 ppm1 1.602 ppm2 8.183
ASSI ( resid 44 and name HG )
( resid 44 and name hd1# )
6.0 0.1 0.1 peak 952 volume 4.641e+03 ppm1 1.604 ppm2 0.932
ASSI ( resid 44 and name HG )
( resid 44 and name hd2# )
6.0 0.1 0.1 peak 953 volume 3.810e+03 ppm1 1.604 ppm2 0.864
ASSI ( resid 45 and name HA )
( resid 45 and name HB2 )
6.0 0.1 0.1 peak 954 volume 2.090e+02 ppm1 4.395 ppm2 1.870
ASSI ( resid 45 and name HA )
( resid 45 and name HB3 )
6.0 0.1 0.1 peak 955 volume 1.927e+03 ppm1 4.392 ppm2 1.766
ASSI ( resid 45 and name HA )
( resid 45 and name HG2 )
6.0 0.1 0.1 peak 956 volume 2.007e+03 ppm1 4.395 ppm2 1.648
ASSI ( resid 45 and name HA )
( resid 45 and name HG3 )
6.0 0.1 0.1 peak 957 volume 1.711e+03 ppm1 4.397 ppm2 1.612
ASSI ( attr store1 < 6.292 and attr store1 > 6.252 )
( attr store1 < 7.66 and attr store1 > 7.63 )
6.0 0.1 0.1 peak 959 volume 6.173e+03 ppm1 6.272 ppm2 7.645
ASSI ( resid 27 and name hd# )
( resid 29 and name HN )
6.0 0.1 0.1 peak 960 volume 2.178e+03 ppm1 6.266 ppm2 7.802
ASSI ( resid 30 and name HD2 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 961 volume 4.630e+02 ppm1 7.171 ppm2 8.774
ASSI ( resid 20 and name HA )
( resid 30 and name HN )
6.0 0.1 0.1 peak 964 volume 8.680e+02 ppm1 4.462 ppm2 9.031
ASSI ( resid 12 and name HB3 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 966 volume 4.537e+03 ppm1 2.392 ppm2 8.773
ASSI ( attr store1 < 4.292 and attr store1 > 4.252 )
( attr store1 < 2.726 and attr store1 > 2.696 )
6.0 0.1 0.1 peak 970 volume 1.164e+03 ppm1 4.272 ppm2 2.711
ASSI ( attr store1 < 3.96 and attr store1 > 3.92 )
( attr store1 < 3.158 and attr store1 > 3.128 )
6.0 0.1 0.1 peak 972 volume 1.916e+04 ppm1 3.940 ppm2 3.143
ASSI ( resid 37 and name HD2 )
( resid 36 and name HA )
6.0 0.1 0.1 peak 975 volume 6.481e+03 ppm1 3.614 ppm2 2.723
ASSI ( resid 22 and name HB2 )
( resid 22 and name HB3 )
6.0 0.1 0.1 peak 976 volume 9.726e+03 ppm1 3.364 ppm2 2.679
ASSI ( attr store1 < 3.2 and attr store1 > 3.16 )
( attr store1 < 2.977 and attr store1 > 2.947 )
6.0 0.1 0.1 peak 977 volume 9.373e+03 ppm1 3.180 ppm2 2.962
ASSI ( resid 12 and name HB2 )
( resid 12 and name HB3 )
6.0 0.1 0.1 peak 981 volume 3.743e+04 ppm1 2.710 ppm2 2.395
ASSI ( resid 12 and name HA )
( resid 12 and name HB3 )
6.0 0.1 0.1 peak 982 volume 1.033e+04 ppm1 4.118 ppm2 2.390
ASSI ( attr store1 < 3.914 and attr store1 > 3.874 )
( attr store1 < 2.223 and attr store1 > 2.193 )
6.0 0.1 0.1 peak 987 volume 2.536e+03 ppm1 3.894 ppm2 2.208
ASSI ( resid 30 and name HD2 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 990 volume 3.715e+03 ppm1 7.164 ppm2 7.538
ASSI ( resid 13 and name HB3 )
( resid 14 and name HN )
6.0 0.1 0.1 peak 992 volume 3.630e+02 ppm1 2.176 ppm2 9.643
ASSI ( resid 36 and name HB2 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 993 volume 9.750e+02 ppm1 3.147 ppm2 8.002
ASSI ( resid 32 and name HA )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 994 volume 5.180e+02 ppm1 4.802 ppm2 7.163
ASSI ( resid 12 and name HB2 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 995 volume 4.100e+02 ppm1 2.711 ppm2 7.537
ASSI ( resid 30 and name HB3 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 996 volume 1.539e+03 ppm1 3.268 ppm2 7.537
ASSI ( resid 30 and name HB2 )
( resid 32 and name HN )
6.0 0.1 0.1 peak 997 volume 1.060e+03 ppm1 3.358 ppm2 7.537
ASSI ( resid 30 and name HA )
( resid 32 and name HN )
6.0 0.1 0.1 peak 998 volume 6.290e+02 ppm1 5.117 ppm2 7.535
ASSI ( resid 30 and name HA )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 999 volume 4.970e+02 ppm1 5.118 ppm2 7.164
ASSI ( resid 22 and name HA )
( resid 23 and name HB )
6.0 0.1 0.1 peak 1000 volume 5.700e+02 ppm1 4.693 ppm2 1.176
ASSI ( attr store1 < 4.164 and attr store1 > 4.124 )
( attr store1 < 0.957 and attr store1 > 0.927 )
6.0 0.1 0.1 peak 1002 volume 1.151e+03 ppm1 4.144 ppm2 0.942
ASSI ( resid 39 and name HA )
( resid 14 and name hg2# )
6.0 0.1 0.1 peak 1003 volume 2.452e+03 ppm1 4.176 ppm2 1.052
ASSI ( resid 37 and name HA )
( resid 38 and name hg# )
6.0 0.1 0.1 peak 1004 volume 1.968e+03 ppm1 4.463 ppm2 1.401
ASSI ( resid 27 and name HA )
( resid 28 and name hb# )
6.0 0.1 0.1 peak 1006 volume 1.192e+03 ppm1 4.770 ppm2 1.523
ASSI ( attr store1 < 3.383 and attr store1 > 3.343 )
( attr store1 < 1.537 and attr store1 > 1.507 )
6.0 0.1 0.1 peak 1013 volume 8.170e+02 ppm1 3.363 ppm2 1.522
ASSI ( attr store1 < 3.911 and attr store1 > 3.871 )
( attr store1 < 1.973 and attr store1 > 1.943 )
6.0 0.1 0.1 peak 1014 volume 1.058e+03 ppm1 3.891 ppm2 1.958
ASSI ( resid 23 and name HA )
( resid 24 and name hg2# )
6.0 0.1 0.1 peak 1016 volume 4.510e+03 ppm1 3.898 ppm2 1.626
ASSI ( attr store1 < 3.918 and attr store1 > 3.878 )
( attr store1 < 1.541 and attr store1 > 1.511 )
6.0 0.1 0.1 peak 1017 volume 7.400e+02 ppm1 3.898 ppm2 1.526
ASSI ( resid 37 and name HD2 )
( resid 38 and name hg# )
6.0 0.1 0.1 peak 1018 volume 4.760e+02 ppm1 3.609 ppm2 1.405
ASSI ( resid 37 and name HD2 )
( resid 38 and name HB3 )
6.0 0.1 0.1 peak 1019 volume 5.740e+02 ppm1 3.606 ppm2 1.576
ASSI ( resid 37 and name HD2 )
( resid 38 and name HB2 )
6.0 0.1 0.1 peak 1020 volume 2.293e+03 ppm1 3.608 ppm2 1.738
ASSI ( attr store1 < 2.702 and attr store1 > 2.662 )
( attr store1 < 1.966 and attr store1 > 1.936 )
6.0 0.1 0.1 peak 1026 volume 5.010e+02 ppm1 2.682 ppm2 1.951
ASSI ( attr store1 < 2.729 and attr store1 > 2.689 )
( attr store1 < 1.708 and attr store1 > 1.678 )
6.0 0.1 0.1 peak 1028 volume 2.360e+02 ppm1 2.709 ppm2 1.693
ASSI ( attr store1 < 2.724 and attr store1 > 2.684 )
( attr store1 < 1.623 and attr store1 > 1.593 )
6.0 0.1 0.1 peak 1030 volume 7.650e+02 ppm1 2.704 ppm2 1.608
ASSI ( attr store1 < 2.727 and attr store1 > 2.687 )
( attr store1 < 1.185 and attr store1 > 1.155 )
6.0 0.1 0.1 peak 1031 volume 3.950e+02 ppm1 2.707 ppm2 1.170
ASSI ( attr store1 < 4.718 and attr store1 > 4.678 )
( attr store1 < 3.627 and attr store1 > 3.597 )
6.0 0.1 0.1 peak 1032 volume 1.506e+03 ppm1 4.698 ppm2 3.612
ASSI ( attr store1 < 4.476 and attr store1 > 4.436 )
( attr store1 < 1.193 and attr store1 > 1.163 )
6.0 0.1 0.1 peak 1034 volume 2.235e+03 ppm1 4.456 ppm2 1.178
ASSI ( resid 39 and name hb# )
( resid 33 and name hd1# )
6.0 0.1 0.1 peak 1035 volume 4.890e+03 ppm1 1.363 ppm2 0.946
ASSI ( resid 39 and name hb# )
( resid 36 and name HN )
6.0 0.1 0.1 peak 1038 volume 9.560e+02 ppm1 1.362 ppm2 7.466
ASSI ( attr store1 < 1.381 and attr store1 > 1.341 )
( attr store1 < 0.94 and attr store1 > 0.91 )
6.0 0.1 0.1 peak 1039 volume 2.783e+03 ppm1 1.361 ppm2 0.925
ASSI ( resid 15 and name hd# )
( resid 14 and name hg2# )
6.0 0.1 0.1 peak 1040 volume 5.243e+03 ppm1 3.675 ppm2 1.051
ASSI ( resid 9 and name HA )
( resid 12 and name HN )
6.0 0.1 0.1 peak 1041 volume 3.038e+03 ppm1 4.555 ppm2 8.774
ASSI ( resid 13 and name HD3 )
( resid 12 and name HN )
6.0 0.1 0.1 peak 1042 volume 7.310e+02 ppm1 3.990 ppm2 8.771
ASSI ( resid 12 and name HA )
( resid 33 and name HG )
6.0 0.1 0.1 peak 1044 volume 2.090e+02 ppm1 4.118 ppm2 1.583
ASSI ( attr store1 < 4.541 and attr store1 > 4.501 )
( attr store1 < 2.4 and attr store1 > 2.37 )
6.0 0.1 0.1 peak 1045 volume 2.040e+03 ppm1 4.521 ppm2 2.385
ASSI ( resid 21 and name HA2 )
( resid 37 and name hg# )
6.0 0.1 0.1 peak 1047 volume 5.280e+02 ppm1 3.794 ppm2 1.957
ASSI ( resid 12 and name HB3 )
( resid 14 and name HN )
6.0 0.1 0.1 peak 1048 volume 4.430e+02 ppm1 2.392 ppm2 9.643
ASSI ( resid 22 and name HB3 )
( resid 22 and name HN )
6.0 0.1 0.1 peak 1050 volume 1.836e+03 ppm1 2.683 ppm2 8.668
ASSI ( resid 22 and name HA )
( resid 22 and name HB3 )
6.0 0.1 0.1 peak 1052 volume 4.890e+03 ppm1 4.698 ppm2 2.684
ASSI ( resid 29 and name HB2 )
( resid 29 and name HB3 )
6.0 0.1 0.1 peak 1053 volume 0.000e+00 ppm1 3.967 ppm2 3.897
ASSI ( resid 34 and name hb# )
( resid 35 and name HN )
6.0 0.1 0.1 peak 1054 volume 2.176e+03 ppm1 3.908 ppm2 7.495
ASSI ( resid 40 and name HA )
( resid 41 and name HN )
6.0 0.1 0.1 peak 1055 volume 2.666e+03 ppm1 4.276 ppm2 8.539
ASSI ( resid 42 and name HA )
( resid 42 and name HN )
6.0 0.1 0.1 peak 1056 volume 6.910e+02 ppm1 4.371 ppm2 8.374
ASSI ( resid 42 and name HA )
( resid 42 and name HB3 )
6.0 0.1 0.1 peak 1058 volume 2.387e+03 ppm1 4.377 ppm2 3.838
ASSI ( resid 29 and name HA )
( resid 20 and name HA )
6.0 0.1 0.1 peak 1066 volume 9.940e+02 ppm1 5.617 ppm2 4.471
ASSI ( attr store1 < 1.64 and attr store1 > 1.6 )
( attr store1 < 8.013 and attr store1 > 7.983 )
6.0 0.1 0.1 peak 1067 volume 2.595e+03 ppm1 1.620 ppm2 7.998
ASSI ( resid 23 and name HG12 )
( resid 23 and name hd1# )
6.0 0.1 0.1 peak 1072 volume 1.094e+04 ppm1 1.396 ppm2 0.880
ASSI ( resid 23 and name HB )
( resid 23 and name hd1# )
6.0 0.1 0.1 peak 1073 volume 6.860e+03 ppm1 1.174 ppm2 0.880
ASSI ( resid 23 and name HG13 )
( resid 23 and name hd1# )
6.0 0.1 0.1 peak 1074 volume 1.166e+04 ppm1 1.260 ppm2 0.880
ASSI ( resid 23 and name hd1# )
( resid 23 and name HN )
6.0 0.1 0.1 peak 1075 volume 4.100e+02 ppm1 0.879 ppm2 8.004
ASSI ( resid 23 and name hd1# )
( resid 24 and name HN )
6.0 0.1 0.1 peak 1076 volume 9.550e+02 ppm1 0.880 ppm2 9.499
ASSI ( resid 20 and name HA )
( resid 20 and name HN )
6.0 0.1 0.1 peak 1077 volume 6.447e+03 ppm1 4.469 ppm2 8.436
ASSI ( resid 41 and name HA )
( resid 41 and name HG2 )
6.0 0.1 0.1 peak 1078 volume 2.100e+02 ppm1 4.341 ppm2 1.456
ASSI ( attr store1 < 2.412 and attr store1 > 2.372 )
( attr store1 < 8.839 and attr store1 > 8.809 )
6.0 0.1 0.1 peak 1081 volume 4.470e+02 ppm1 2.392 ppm2 8.824
ASSI ( attr store1 < 2.728 and attr store1 > 2.688 )
( attr store1 < 8.839 and attr store1 > 8.809 )
6.0 0.1 0.1 peak 1082 volume 6.000e+02 ppm1 2.708 ppm2 8.824
ASSI ( attr store1 < 7.95 and attr store1 > 7.91 )
( attr store1 < 8.731 and attr store1 > 8.701 )
6.0 0.1 0.1 peak 1083 volume 0.000e+00 ppm1 7.930 ppm2 8.716
ASSI ( resid 30 and name HA )
( resid 35 and name HN )
6.0 0.1 0.1 peak 1087 volume 2.650e+02 ppm1 5.119 ppm2 7.496
ASSI ( attr store1 < 3.821 and attr store1 > 3.781 )
( attr store1 < 7.511 and attr store1 > 7.481 )
6.0 0.1 0.1 peak 1088 volume 2.360e+02 ppm1 3.801 ppm2 7.496
ASSI ( attr store1 < 4.417 and attr store1 > 4.377 )
( attr store1 < 7.506 and attr store1 > 7.476 )
6.0 0.1 0.1 peak 1091 volume 6.440e+02 ppm1 4.397 ppm2 7.491
ASSI ( attr store1 < 2.442 and attr store1 > 2.402 )
( attr store1 < 8.007 and attr store1 > 7.977 )
6.0 0.1 0.1 peak 1093 volume 4.240e+02 ppm1 2.422 ppm2 7.992
ASSI ( resid 22 and name HB3 )
( resid 26 and name HN )
6.0 0.1 0.1 peak 1094 volume 3.337e+03 ppm1 2.678 ppm2 7.997
ASSI ( resid 9 and name HB2 )
( resid 11 and name HN )
6.0 0.1 0.1 peak 1095 volume 2.240e+02 ppm1 2.706 ppm2 7.940
ASSI ( attr store1 < 2.696 and attr store1 > 2.656 )
( attr store1 < 7.807 and attr store1 > 7.777 )
6.0 0.1 0.1 peak 1096 volume 3.150e+02 ppm1 2.676 ppm2 7.792
ASSI ( attr store1 < 2.98 and attr store1 > 2.94 )
( attr store1 < 7.398 and attr store1 > 7.368 )
6.0 0.1 0.1 peak 1102 volume 6.740e+02 ppm1 2.960 ppm2 7.383
ASSI ( attr store1 < 2.729 and attr store1 > 2.689 )
( attr store1 < 7.512 and attr store1 > 7.482 )
6.0 0.1 0.1 peak 1103 volume 4.724e+03 ppm1 2.709 ppm2 7.497
ASSI ( resid 33 and name HG )
( resid 34 and name HN )
6.0 0.1 0.1 peak 1104 volume 6.990e+02 ppm1 1.579 ppm2 8.476
ASSI ( resid 30 and name HB3 )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 1105 volume 2.589e+03 ppm1 3.266 ppm2 7.162
ASSI ( resid 30 and name HB2 )
( resid 30 and name HD2 )
6.0 0.1 0.1 peak 1106 volume 2.598e+03 ppm1 3.352 ppm2 7.165
ASSI ( attr store1 < 4.497 and attr store1 > 4.457 )
( attr store1 < 3.992 and attr store1 > 3.962 )
6.0 0.1 0.1 peak 1110 volume 4.785e+03 ppm1 4.477 ppm2 3.977
ASSI ( attr store1 < 4.164 and attr store1 > 4.124 )
( attr store1 < 3.992 and attr store1 > 3.962 )
6.0 0.1 0.1 peak 1111 volume 2.971e+03 ppm1 4.144 ppm2 3.977
ASSI ( attr store1 < 4.48 and attr store1 > 4.44 )
( attr store1 < 3.9 and attr store1 > 3.87 )
6.0 0.1 0.1 peak 1113 volume 5.439e+03 ppm1 4.460 ppm2 3.885
ASSI ( resid 29 and name HA )
( resid 21 and name HA2 )
6.0 0.1 0.1 peak 1115 volume 9.510e+02 ppm1 5.614 ppm2 3.784
ASSI ( attr store1 < 2.984 and attr store1 > 2.944 )
( attr store1 < 1.371 and attr store1 > 1.341 )
6.0 0.1 0.1 peak 1116 volume 2.984e+03 ppm1 2.964 ppm2 1.356
ASSI ( attr store1 < 3.226 and attr store1 > 3.186 )
( attr store1 < 1.434 and attr store1 > 1.404 )
6.0 0.1 0.1 peak 1117 volume 2.090e+02 ppm1 3.206 ppm2 1.419
ASSI ( resid 33 and name hb# )
( resid 14 and name hg2# )
6.0 0.1 0.1 peak 1120 volume 4.602e+03 ppm1 1.747 ppm2 1.048
ASSI ( attr store1 < 1.623 and attr store1 > 1.583 )
( attr store1 < 1.073 and attr store1 > 1.043 )
6.0 0.1 0.1 peak 1121 volume 1.191e+03 ppm1 1.603 ppm2 1.058
ASSI ( resid 37 and name HD2 )
( resid 37 and name HD3 )
6.0 0.1 0.1 peak 1122 volume 7.912e+03 ppm1 3.609 ppm2 3.043
ASSI ( attr store1 < 8.424 and attr store1 > 8.384 )
( attr store1 < 8.685 and attr store1 > 8.655 )
6.0 0.1 0.1 peak 1123 volume 0.000e+00 ppm1 8.404 ppm2 8.670
ASSI ( resid 27 and name HA )
( resid 24 and name hg2# )
6.0 0.1 0.1 peak 1127 volume 2.020e+02 ppm1 4.769 ppm2 1.619
ASSI ( resid 37 and name HD3 )
( resid 37 and name hg# )
6.0 0.1 0.1 peak 1131 volume 2.285e+03 ppm1 3.052 ppm2 1.962
ASSI ( resid 37 and name HD3 )
( resid 37 and name hb# )
6.0 0.1 0.1 peak 1132 volume 3.600e+02 ppm1 3.055 ppm2 2.207
ASSI ( resid 37 and name HD3 )
( resid 38 and name HN )
6.0 0.1 0.1 peak 1133 volume 9.320e+02 ppm1 3.045 ppm2 8.728
ASSI ( resid 19 and name HA1 )
( resid 30 and name HN )
6.0 0.1 0.1 peak 1135 volume 1.350e+03 ppm1 4.084 ppm2 9.029
ASSI ( attr store1 < 4.148 and attr store1 > 4.108 )
( attr store1 < 2.271 and attr store1 > 2.241 )
6.0 0.1 0.1 peak 1140 volume 1.303e+03 ppm1 4.128 ppm2 2.256
ASSI ( attr store1 < 3.005 and attr store1 > 2.965 )
( attr store1 < 1.372 and attr store1 > 1.342 )
6.0 0.1 0.1 peak 1141 volume 3.134e+03 ppm1 2.985 ppm2 1.357
ASSI ( resid 13 and name HD3 )
( resid 13 and name HB2 )
6.0 0.1 0.1 peak 1143 volume 4.920e+03 ppm1 3.990 ppm2 2.250
ASSI ( resid 13 and name HD3 )
( resid 13 and name hg# )
6.0 0.1 0.1 peak 1144 volume 3.219e+03 ppm1 3.990 ppm2 1.934
ASSI ( resid 13 and name HA )
( resid 13 and name HD2 )
6.0 0.1 0.1 peak 1145 volume 1.830e+02 ppm1 4.668 ppm2 4.255
ASSI ( resid 13 and name HD2 )
( resid 13 and name HD3 )
6.0 0.1 0.1 peak 1146 volume 8.762e+03 ppm1 4.270 ppm2 3.979
ASSI ( resid 9 and name HA )
( resid 9 and name HB2 )
6.0 0.1 0.1 peak 1147 volume 5.279e+03 ppm1 4.553 ppm2 2.687
ASSI ( resid 9 and name HA )
( resid 9 and name HB3 )
6.0 0.1 0.1 peak 1148 volume 2.071e+03 ppm1 4.553 ppm2 2.558
ASSI ( resid 37 and name HD3 )
( resid 23 and name HN )
6.0 0.1 0.1 peak 1149 volume 9.250e+02 ppm1 3.046 ppm2 8.005
ASSI ( attr store1 < 4.477 and attr store1 > 4.437 )
( attr store1 < 8.552 and attr store1 > 8.522 )
6.0 0.1 0.1 peak 1152 volume 1.164e+03 ppm1 4.457 ppm2 8.537
ASSI ( attr store1 < 4.285 and attr store1 > 4.245 )
( attr store1 < 7.497 and attr store1 > 7.467 )
6.0 0.1 0.1 peak 1153 volume 1.208e+03 ppm1 4.265 ppm2 7.482
ASSI ( resid 33 and name hd2# )
( resid 14 and name HN )
6.0 0.1 0.1 peak 1160 volume 5.320e+02 ppm1 0.924 ppm2 9.644
ASSI ( resid 33 and name hd2# )
( resid 33 and name HN )
6.0 0.1 0.1 peak 1161 volume 1.710e+03 ppm1 0.922 ppm2 9.260
ASSI ( resid 33 and name HG )
( resid 33 and name hd1# )
6.0 0.1 0.1 peak 1165 volume 4.431e+03 ppm1 1.578 ppm2 0.953
ASSI ( resid 33 and name hb# )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 1166 volume 7.928e+03 ppm1 1.761 ppm2 0.925
ASSI ( attr store1 < 4.268 and attr store1 > 4.228 )
( attr store1 < 0.895 and attr store1 > 0.865 )
6.0 0.1 0.1 peak 1167 volume 1.232e+03 ppm1 4.248 ppm2 0.880
ASSI ( attr store1 < 5.91 and attr store1 > 5.87 )
( attr store1 < 0.919 and attr store1 > 0.889 )
6.0 0.1 0.1 peak 1168 volume 0.000e+00 ppm1 5.890 ppm2 0.904
ASSI ( resid 24 and name HA )
( resid 27 and name hd# )
6.0 0.1 0.1 peak 1169 volume 4.880e+02 ppm1 4.459 ppm2 6.259
ASSI ( resid 36 and name HB2 )
( resid 36 and name HN )
6.0 0.1 0.1 peak 1170 volume 1.883e+03 ppm1 3.154 ppm2 7.468
ASSI ( resid 34 and name hb# )
( resid 36 and name HN )
6.0 0.1 0.1 peak 1171 volume 8.210e+02 ppm1 3.907 ppm2 7.468
ASSI ( resid 35 and name ha# )
( resid 36 and name HN )
6.0 0.1 0.1 peak 1172 volume 8.890e+02 ppm1 3.932 ppm2 7.468
ASSI ( resid 36 and name HB3 )
( resid 36 and name HA )
6.0 0.1 0.1 peak 1173 volume 2.915e+03 ppm1 2.966 ppm2 2.726
ASSI ( resid 36 and name HB2 )
( resid 36 and name HA )
6.0 0.1 0.1 peak 1174 volume 7.956e+03 ppm1 3.154 ppm2 2.726
ASSI ( resid 36 and name HB2 )
( resid 36 and name HB3 )
6.0 0.1 0.1 peak 1175 volume 4.633e+03 ppm1 3.154 ppm2 2.966
ASSI ( resid 37 and name HD3 )
( resid 36 and name HA )
6.0 0.1 0.1 peak 1176 volume 3.196e+03 ppm1 3.050 ppm2 2.723
ASSI ( resid 23 and name HA )
( resid 23 and name hg2# )
6.0 0.1 0.1 peak 1177 volume 7.180e+03 ppm1 3.897 ppm2 0.912
ASSI ( resid 22 and name HB3 )
( resid 22 and name HD2 )
6.0 0.1 0.1 peak 1178 volume 1.631e+03 ppm1 2.675 ppm2 7.645
ASSI ( resid 25 and name HA1 )
( resid 27 and name HN )
6.0 0.1 0.1 peak 1179 volume 5.450e+02 ppm1 4.231 ppm2 6.780
ASSI ( attr store1 < 3.065 and attr store1 > 3.025 )
( attr store1 < 7.509 and attr store1 > 7.479 )
6.0 0.1 0.1 peak 1184 volume 2.647e+03 ppm1 3.045 ppm2 7.494
ASSI ( attr store1 < 3.064 and attr store1 > 3.024 )
( attr store1 < 7.18 and attr store1 > 7.15 )
6.0 0.1 0.1 peak 1185 volume 1.750e+02 ppm1 3.044 ppm2 7.165
ASSI ( resid 33 and name hd2# )
( resid 34 and name HN )
6.0 0.1 0.1 peak 1191 volume 1.480e+02 ppm1 0.921 ppm2 8.474
ASSI ( attr store1 < 0.943 and attr store1 > 0.903 )
( attr store1 < 7.178 and attr store1 > 7.148 )
6.0 0.1 0.1 peak 1192 volume 2.370e+02 ppm1 0.923 ppm2 7.163
ASSI ( resid 33 and name hb# )
( resid 34 and name HN )
6.0 0.1 0.1 peak 1193 volume 7.900e+02 ppm1 1.766 ppm2 8.476
ASSI ( attr store1 < 4.416 and attr store1 > 4.376 )
( attr store1 < 1.977 and attr store1 > 1.947 )
6.0 0.1 0.1 peak 1194 volume 1.416e+03 ppm1 4.396 ppm2 1.962
ASSI ( resid 13 and name HD2 )
( resid 12 and name HA )
6.0 0.1 0.1 peak 1196 volume 2.694e+03 ppm1 4.274 ppm2 4.124
ASSI ( attr store1 < 4.388 and attr store1 > 4.348 )
( attr store1 < 1.239 and attr store1 > 1.209 )
6.0 0.1 0.1 peak 1198 volume 1.050e+02 ppm1 4.368 ppm2 1.224
ASSI ( resid 23 and name hd1# )
( resid 25 and name HN )
6.0 0.1 0.1 peak 1199 volume 4.470e+02 ppm1 0.885 ppm2 8.400
ASSI ( attr store1 < 4.29 and attr store1 > 4.25 )
( attr store1 < 2.493 and attr store1 > 2.463 )
6.0 0.1 0.1 peak 1208 volume 4.360e+02 ppm1 4.270 ppm2 2.478
ASSI ( attr store1 < 4.262 and attr store1 > 4.222 )
( attr store1 < 2.701 and attr store1 > 2.671 )
6.0 0.1 0.1 peak 1211 volume 5.040e+02 ppm1 4.242 ppm2 2.686
ASSI ( attr store1 < 2.752 and attr store1 > 2.712 )
( attr store1 < 1.976 and attr store1 > 1.946 )
6.0 0.1 0.1 peak 1213 volume 4.480e+02 ppm1 2.732 ppm2 1.961
ASSI ( resid 32 and name HA )
( resid 13 and name HD3 )
6.0 0.1 0.1 peak 1215 volume 2.033e+03 ppm1 4.803 ppm2 3.982
ASSI ( attr store1 < 4.403 and attr store1 > 4.363 )
( attr store1 < 2.701 and attr store1 > 2.671 )
6.0 0.1 0.1 peak 1216 volume 9.780e+02 ppm1 4.383 ppm2 2.686
ASSI ( attr store1 < 4.477 and attr store1 > 4.437 )
( attr store1 < 2.712 and attr store1 > 2.682 )
6.0 0.1 0.1 peak 1217 volume 1.250e+03 ppm1 4.457 ppm2 2.697
ASSI ( attr store1 < 3.992 and attr store1 > 3.952 )
( attr store1 < 0.958 and attr store1 > 0.928 )
6.0 0.1 0.1 peak 1219 volume 1.036e+03 ppm1 3.972 ppm2 0.943
ASSI ( attr store1 < 3.99 and attr store1 > 3.95 )
( attr store1 < 0.908 and attr store1 > 0.878 )
6.0 0.1 0.1 peak 1220 volume 1.037e+03 ppm1 3.970 ppm2 0.893
ASSI ( attr store1 < 4.468 and attr store1 > 4.428 )
( attr store1 < 0.906 and attr store1 > 0.876 )
6.0 0.1 0.1 peak 1221 volume 2.109e+03 ppm1 4.448 ppm2 0.891
ASSI ( attr store1 < 3.004 and attr store1 > 2.964 )
( attr store1 < 1.665 and attr store1 > 1.635 )
6.0 0.1 0.1 peak 1222 volume 2.985e+03 ppm1 2.984 ppm2 1.650
ASSI ( resid 29 and name HB2 )
( resid 21 and name HN )
6.0 0.1 0.1 peak 1223 volume 6.960e+02 ppm1 3.958 ppm2 8.104
ASSI ( resid 3 and name HA )
( resid 3 and name HN )
6.0 0.1 0.1 peak 1224 volume 0.000e+00 ppm1 4.525 ppm2 8.710
ASSI ( resid 3 and name HG2 )
( resid 3 and name HN )
6.0 0.1 0.1 peak 1225 volume 0.000e+00 ppm1 2.635 ppm2 8.710
ASSI ( resid 3 and name HG3 )
( resid 3 and name HN )
6.0 0.1 0.1 peak 1226 volume 0.000e+00 ppm1 2.564 ppm2 8.710
ASSI ( resid 3 and name HB2 )
( resid 3 and name HN )
6.0 0.1 0.1 peak 1227 volume 0.000e+00 ppm1 2.082 ppm2 8.710
ASSI ( resid 3 and name HB3 )
( resid 3 and name HN )
6.0 0.1 0.1 peak 1228 volume 0.000e+00 ppm1 1.990 ppm2 8.710
ASSI ( attr store1 < 4.698 and attr store1 > 4.658 )
( attr store1 < 2.704 and attr store1 > 2.674 )
6.0 0.1 0.1 peak 1229 volume 4.907e+03 ppm1 4.678 ppm2 2.689
ASSI ( resid 42 and name HA )
( resid 42 and name HB2 )
6.0 0.1 0.1 peak 1232 volume 0.000e+00 ppm1 4.377 ppm2 3.864
ASSI ( resid 42 and name HB2 )
( resid 42 and name HN )
6.0 0.1 0.1 peak 1233 volume 0.000e+00 ppm1 3.863 ppm2 8.374
ASSI ( resid 42 and name HB3 )
( resid 42 and name HN )
6.0 0.1 0.1 peak 1234 volume 0.000e+00 ppm1 3.828 ppm2 8.374
ASSI ( resid 13 and name HD2 )
( resid 13 and name HB3 )
6.0 0.1 0.1 peak 1236 volume 0.000e+00 ppm1 4.275 ppm2 2.173
ASSI ( resid 13 and name HD3 )
( resid 13 and name HB3 )
6.0 0.1 0.1 peak 1237 volume 0.000e+00 ppm1 3.988 ppm2 2.173
ASSI ( resid 13 and name HA )
( resid 13 and name HB3 )
6.0 0.1 0.1 peak 1238 volume 0.000e+00 ppm1 4.677 ppm2 2.172
ASSI ( resid 13 and name HB3 )
( resid 13 and name hg# )
6.0 0.1 0.1 peak 1239 volume 4.004e+03 ppm1 2.175 ppm2 1.932
ASSI ( resid 13 and name HB2 )
( resid 13 and name HB3 )
6.0 0.1 0.1 peak 1240 volume 0.000e+00 ppm1 2.251 ppm2 2.172
ASSI ( resid 6 and name HA )
( resid 6 and name HB2 )
6.0 0.1 0.1 peak 1241 volume 0.000e+00 ppm1 4.678 ppm2 3.171
ASSI ( resid 6 and name HA )
( resid 6 and name HB3 )
6.0 0.1 0.1 peak 1242 volume 0.000e+00 ppm1 4.678 ppm2 3.143
ASSI ( resid 38 and name HB2 )
( resid 40 and name HN )
6.0 0.1 0.1 peak 1243 volume 3.343e+03 ppm1 1.737 ppm2 8.428
ASSI ( resid 15 and name HD3 )
( resid 16 and name HN )
6.0 0.1 0.1 peak 1245 volume 0.000e+00 ppm1 3.645 ppm2 9.071
ASSI ( resid 15 and name HD3 )
( resid 15 and name HB2 )
6.0 0.1 0.1 peak 1246 volume 0.000e+00 ppm1 3.643 ppm2 2.314
ASSI ( resid 15 and name HD3 )
( resid 15 and name HG2 )
6.0 0.1 0.1 peak 1247 volume 0.000e+00 ppm1 3.641 ppm2 2.180
ASSI ( resid 15 and name HD3 )
( resid 15 and name HG3 )
6.0 0.1 0.1 peak 1248 volume 0.000e+00 ppm1 3.644 ppm2 2.000
ASSI ( resid 15 and name HD3 )
( resid 15 and name HB3 )
6.0 0.1 0.1 peak 1249 volume 0.000e+00 ppm1 3.644 ppm2 1.899
ASSI ( attr store1 < 4.265 and attr store1 > 4.225 )
( attr store1 < 9.086 and attr store1 > 9.056 )
6.0 0.1 0.1 peak 1250 volume 0.000e+00 ppm1 4.245 ppm2 9.071
ASSI ( resid 13 and name HB3 )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 1251 volume 0.000e+00 ppm1 2.177 ppm2 0.935
ASSI ( resid 36 and name HB3 )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 1252 volume 5.270e+02 ppm1 2.958 ppm2 0.922
ASSI ( resid 36 and name HB2 )
( resid 33 and name hd1# )
6.0 0.1 0.1 peak 1253 volume 0.000e+00 ppm1 3.154 ppm2 0.954
ASSI ( resid 36 and name HB2 )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 1255 volume 0.000e+00 ppm1 3.154 ppm2 0.922
ASSI ( resid 33 and name HA )
( resid 33 and name hd2# )
6.0 0.1 0.1 peak 1258 volume 2.351e+03 ppm1 4.271 ppm2 0.924
ASSI ( resid 15 and name HA )
( resid 15 and name HD3 )
6.0 0.1 0.1 peak 1259 volume 0.000e+00 ppm1 4.238 ppm2 3.650
ASSI ( resid 11 and name he# )
( resid 18 and name HN )
6.0 0.1 0.1 peak 1260 volume 8.700e+01 ppm1 2.960 ppm2 8.723
ASSI ( resid 11 and name he# )
( resid 11 and name HN )
6.0 0.1 0.1 peak 1261 volume 0.000e+00 ppm1 2.949 ppm2 7.950
ASSI ( resid 11 and name HA )
( resid 11 and name he# )
6.0 0.1 0.1 peak 1262 volume 0.000e+00 ppm1 4.460 ppm2 2.952
ASSI ( resid 11 and name he# )
( resid 11 and name hb# )
6.0 0.1 0.1 peak 1263 volume 0.000e+00 ppm1 2.958 ppm2 1.708
ASSI ( resid 36 and name HN )
( resid 23 and name HN )
6.0 0.1 0.1 peak 1264 volume 0.000e+00 ppm1 7.470 ppm2 8.014
Contact the webmaster for help, if required. Tuesday, May 7, 2024 10:06:11 AM GMT (wattos1)