Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
17842 | 2d82 RC | 6960 | cing | 1-original | 2 | XPLOR/CNS | peak |
! F3 (1H): 0.04 ppm
! F2 (X): 0.4 ppm
! F1 (1H): 0.04 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 10.551 and attr rmsd > 10.471 )
and bondedto( attr rmsd < 127.797 and attr rmsd > 126.997 ))
( attr rmsd < 1.332 and attr rmsd > 1.252 )
6 6 0 peak 61 volume 549.76648 ppm1 10.511 ppm2 1.292
assi (( attr rmsd < 10.549 and attr rmsd > 10.469 )
and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 ))
( attr rmsd < 7.238 and attr rmsd > 7.158 )
6 6 0 peak 71 volume 161.86880 ppm1 10.509 ppm2 7.198
assi (( attr rmsd < 8.894 and attr rmsd > 8.814 )
and bondedto( attr rmsd < 127.419 and attr rmsd > 126.619 ))
( attr rmsd < 7.043 and attr rmsd > 6.963 )
6 6 0 peak 81 volume 239.65311 ppm1 8.854 ppm2 7.003
assi (( attr rmsd < 7.902 and attr rmsd > 7.822 )
and bondedto( attr rmsd < 118.623 and attr rmsd > 117.823 ))
( attr rmsd < 1.772 and attr rmsd > 1.692 )
6 6 0 peak 1411 volume 78.40440 ppm1 7.862 ppm2 1.732
assi (( attr rmsd < 7.336 and attr rmsd > 7.256 )
and bondedto( attr rmsd < 117.763 and attr rmsd > 116.963 ))
( attr rmsd < 0.927 and attr rmsd > 0.847 )
6 6 0 peak 1781 volume 33.43070 ppm1 7.296 ppm2 0.887
assi (( attr rmsd < 7.361 and attr rmsd > 7.281 )
and bondedto( attr rmsd < 115.156 and attr rmsd > 114.356 ))
( attr rmsd < 2.308 and attr rmsd > 2.228 )
6 6 0 peak 2331 volume 113.25820 ppm1 7.321 ppm2 2.268
assi (( attr rmsd < 8.029 and attr rmsd > 7.949 )
and bondedto( attr rmsd < 111.558 and attr rmsd > 110.758 ))
( attr rmsd < 0.687 and attr rmsd > 0.607 )
6 6 0 peak 2691 volume 5.94540 ppm1 7.989 ppm2 0.647
assi (( attr rmsd < 10.328 and attr rmsd > 10.248 )
and bondedto( attr rmsd < 111.067 and attr rmsd > 110.267 ))
( attr rmsd < 1.54 and attr rmsd > 1.46 )
6 6 0 peak 2701 volume 176.76250 ppm1 10.288 ppm2 1.500
assi (( attr rmsd < 10.331 and attr rmsd > 10.251 )
and bondedto( attr rmsd < 111.063 and attr rmsd > 110.263 ))
( attr rmsd < 2.253 and attr rmsd > 2.173 )
6 6 0 peak 2721 volume 206.07420 ppm1 10.291 ppm2 2.213
assi (( attr rmsd < 10.55 and attr rmsd > 10.47 )
and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 ))
( attr rmsd < 2.544 and attr rmsd > 2.464 )
6 6 0 peak 2791 volume 23.01300 ppm1 10.510 ppm2 2.504
assi (( attr rmsd < 7.844 and attr rmsd > 7.764 )
and bondedto( attr rmsd < 124.028 and attr rmsd > 123.228 ))
( attr rmsd < 2.072 and attr rmsd > 1.992 )
6 6 0 peak 3001 volume 36.72410 ppm1 7.804 ppm2 2.032
assi (( attr rmsd < 8.036 and attr rmsd > 7.956 )
and bondedto( attr rmsd < 122.541 and attr rmsd > 121.741 ))
( attr rmsd < 2.347 and attr rmsd > 2.267 )
6 6 0 peak 3181 volume 30.57280 ppm1 7.996 ppm2 2.307
assi (( attr rmsd < 8.037 and attr rmsd > 7.957 )
and bondedto( attr rmsd < 122.541 and attr rmsd > 121.741 ))
( attr rmsd < 1.6 and attr rmsd > 1.52 )
6 6 0 peak 3211 volume 24.34450 ppm1 7.997 ppm2 1.560
assi (( attr rmsd < 7.901 and attr rmsd > 7.821 )
and bondedto( attr rmsd < 118.628 and attr rmsd > 117.828 ))
( attr rmsd < 2.234 and attr rmsd > 2.154 )
6 6 0 peak 3821 volume 21.51340 ppm1 7.861 ppm2 2.194
assi (( attr rmsd < 8.465 and attr rmsd > 8.385 )
and bondedto( attr rmsd < 118.773 and attr rmsd > 117.973 ))
( attr rmsd < 6.856 and attr rmsd > 6.776 )
6 6 0 peak 3841 volume 15.38440 ppm1 8.425 ppm2 6.816
assi (( attr rmsd < 8.079 and attr rmsd > 7.999 )
and bondedto( attr rmsd < 115.384 and attr rmsd > 114.584 ))
( attr rmsd < 1.793 and attr rmsd > 1.713 )
6 6 0 peak 4371 volume 12.82620 ppm1 8.039 ppm2 1.753
assi (( attr rmsd < 7.672 and attr rmsd > 7.592 )
and bondedto( attr rmsd < 113.4 and attr rmsd > 112.6 ))
( attr rmsd < 9 and attr rmsd > 8.92 )
6 6 0 peak 4461 volume 91.06850 ppm1 7.632 ppm2 8.960
assi (( attr rmsd < 8.03 and attr rmsd > 7.95 )
and bondedto( attr rmsd < 111.543 and attr rmsd > 110.743 ))
( attr rmsd < 0.809 and attr rmsd > 0.729 )
6 6 0 peak 4631 volume 90.81290 ppm1 7.990 ppm2 0.769
assi (( attr rmsd < 7.632 and attr rmsd > 7.552 )
and bondedto( attr rmsd < 111.235 and attr rmsd > 110.435 ))
( attr rmsd < 6.87 and attr rmsd > 6.79 )
6 6 0 peak 4651 volume 30.97190 ppm1 7.592 ppm2 6.830
assi (( attr rmsd < 6.872 and attr rmsd > 6.792 )
and bondedto( attr rmsd < 111.235 and attr rmsd > 110.435 ))
( attr rmsd < 7.622 and attr rmsd > 7.542 )
6 6 0 peak 4661 volume 245.28819 ppm1 6.832 ppm2 7.582
assi (( attr rmsd < 7.471 and attr rmsd > 7.391 )
and bondedto( attr rmsd < 110.31 and attr rmsd > 109.51 ))
( attr rmsd < 2.499 and attr rmsd > 2.419 )
6 6 0 peak 4691 volume 38.45030 ppm1 7.431 ppm2 2.459
assi (( attr rmsd < 10.551 and attr rmsd > 10.471 )
and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 ))
( attr rmsd < 4.637 and attr rmsd > 4.557 )
6 6 0 peak 4751 volume 13.08370 ppm1 10.511 ppm2 4.597
assi (( attr rmsd < 10.548 and attr rmsd > 10.468 )
and bondedto( attr rmsd < 127.798 and attr rmsd > 126.998 ))
( attr rmsd < 0.913 and attr rmsd > 0.833 )
6 6 0 peak 4811 volume 64.17920 ppm1 10.508 ppm2 0.873
assi (( attr rmsd < 7.328 and attr rmsd > 7.248 )
and bondedto( attr rmsd < 125.247 and attr rmsd > 124.447 ))
( attr rmsd < 2.021 and attr rmsd > 1.941 )
6 6 0 peak 4911 volume 12.79330 ppm1 7.288 ppm2 1.981
assi (( attr rmsd < 8.716 and attr rmsd > 8.636 )
and bondedto( attr rmsd < 123.566 and attr rmsd > 122.766 ))
( attr rmsd < 0.796 and attr rmsd > 0.716 )
6 6 0 peak 4951 volume 115.77560 ppm1 8.676 ppm2 0.756
assi (( attr rmsd < 10.33 and attr rmsd > 10.25 )
and bondedto( attr rmsd < 111.069 and attr rmsd > 110.269 ))
( attr rmsd < 3.825 and attr rmsd > 3.745 )
6 6 0 peak 5251 volume 28.89420 ppm1 10.290 ppm2 3.785
assi (( attr rmsd < 10.548 and attr rmsd > 10.468 )
and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 ))
( attr rmsd < 6.916 and attr rmsd > 6.836 )
6 6 0 peak 5311 volume 61.64930 ppm1 10.508 ppm2 6.876
assi (( attr rmsd < 10.551 and attr rmsd > 10.471 )
and bondedto( attr rmsd < 127.792 and attr rmsd > 126.992 ))
( attr rmsd < 4.431 and attr rmsd > 4.351 )
6 6 0 peak 5321 volume 6.05370 ppm1 10.511 ppm2 4.391
assi (( attr rmsd < 7.022 and attr rmsd > 6.942 )
and bondedto( attr rmsd < 123.01 and attr rmsd > 122.21 ))
( attr rmsd < 1.151 and attr rmsd > 1.071 )
6 6 0 peak 5781 volume 67.56760 ppm1 6.982 ppm2 1.111
assi (( attr rmsd < 8.704 and attr rmsd > 8.624 )
and bondedto( attr rmsd < 120.33 and attr rmsd > 119.53 ))
( attr rmsd < 0.069 and attr rmsd > -0.011 )
6 6 0 peak 6521 volume 8.23810 ppm1 8.664 ppm2 0.029
assi (( attr rmsd < 7.902 and attr rmsd > 7.822 )
and bondedto( attr rmsd < 118.627 and attr rmsd > 117.827 ))
( attr rmsd < 3.451 and attr rmsd > 3.371 )
6 6 0 peak 7051 volume 21.14080 ppm1 7.862 ppm2 3.411
assi (( attr rmsd < 6.6 and attr rmsd > 6.52 )
and bondedto( attr rmsd < 118.394 and attr rmsd > 117.594 ))
( attr rmsd < 1.362 and attr rmsd > 1.282 )
6 6 0 peak 7381 volume 27.17270 ppm1 6.560 ppm2 1.322
assi (( attr rmsd < 7.65 and attr rmsd > 7.57 )
and bondedto( attr rmsd < 114.38 and attr rmsd > 113.58 ))
( attr rmsd < 1.161 and attr rmsd > 1.081 )
6 6 0 peak 8031 volume 47.59140 ppm1 7.610 ppm2 1.121
assi (( attr rmsd < 7.574 and attr rmsd > 7.494 )
and bondedto( attr rmsd < 111.665 and attr rmsd > 110.865 ))
( attr rmsd < 1.192 and attr rmsd > 1.112 )
6 6 0 peak 8271 volume 10.34260 ppm1 7.534 ppm2 1.152
assi (( attr rmsd < 10.332 and attr rmsd > 10.252 )
and bondedto( attr rmsd < 111.065 and attr rmsd > 110.265 ))
( attr rmsd < 7.951 and attr rmsd > 7.871 )
6 6 0 peak 8321 volume 36.59740 ppm1 10.292 ppm2 7.911
assi (( attr rmsd < 10.327 and attr rmsd > 10.247 )
and bondedto( attr rmsd < 111.065 and attr rmsd > 110.265 ))
( attr rmsd < 2.487 and attr rmsd > 2.407 )
6 6 0 peak 8341 volume 48.26220 ppm1 10.287 ppm2 2.447
assi (( attr rmsd < 8.466 and attr rmsd > 8.386 )
and bondedto( attr rmsd < 118.772 and attr rmsd > 117.972 ))
( attr rmsd < 1.523 and attr rmsd > 1.443 )
6 6 0 peak 8891 volume 38.43850 ppm1 8.426 ppm2 1.483
assi (( attr rmsd < 9.17 and attr rmsd > 9.09 )
and bondedto( attr rmsd < 120.4 and attr rmsd > 119.6 ))
( attr rmsd < 3.321 and attr rmsd > 3.241 )
6 6 0 peak 9491 volume 15.12240 ppm1 9.130 ppm2 3.281
assi (( attr rmsd < 8.155 and attr rmsd > 8.075 )
and bondedto( attr rmsd < 118.095 and attr rmsd > 117.295 ))
( attr rmsd < 1.84 and attr rmsd > 1.76 )
6 6 0 peak 9551 volume 17.64230 ppm1 8.115 ppm2 1.800
assi (( attr rmsd < 7.453 and attr rmsd > 7.373 )
and bondedto( attr rmsd < 122.3 and attr rmsd > 121.5 ))
( attr rmsd < 1.78 and attr rmsd > 1.7 )
6 6 0 peak 9571 volume 28.12840 ppm1 7.413 ppm2 1.740
assi (( attr rmsd < 8.549 and attr rmsd > 8.469 )
and bondedto( attr rmsd < 113.689 and attr rmsd > 112.889 ))
( attr rmsd < 1.599 and attr rmsd > 1.519 )
6 6 0 peak 9991 volume 14.82140 ppm1 8.509 ppm2 1.559
assi (( attr rmsd < 8.896 and attr rmsd > 8.816 )
and bondedto( attr rmsd < 127.408 and attr rmsd > 126.608 ))
( attr rmsd < 0.073 and attr rmsd > -0.007 )
6 6 0 peak 10021 volume 19.70480 ppm1 8.856 ppm2 0.033
assi (( attr rmsd < 10.548 and attr rmsd > 10.468 )
and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 ))
( attr rmsd < 1.174 and attr rmsd > 1.094 )
6 6 0 peak 10031 volume 35.62540 ppm1 10.508 ppm2 1.134
assi (( attr rmsd < 10.549 and attr rmsd > 10.469 )
and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 ))
( attr rmsd < 0.754 and attr rmsd > 0.674 )
6 6 0 peak 10041 volume 26.17460 ppm1 10.509 ppm2 0.714
assi (( attr rmsd < 10.548 and attr rmsd > 10.468 )
and bondedto( attr rmsd < 127.793 and attr rmsd > 126.993 ))
( attr rmsd < 7.068 and attr rmsd > 6.988 )
6 6 0 peak 10051 volume 43.40000 ppm1 10.508 ppm2 7.028
assi (( attr rmsd < 8.496 and attr rmsd > 8.416 )
and bondedto( attr rmsd < 113.226 and attr rmsd > 112.426 ))
( attr rmsd < 0.079 and attr rmsd > -0.001 )
6 6 0 peak 10111 volume 7.60340 ppm1 8.456 ppm2 0.039
assi (( attr rmsd < 7.871 and attr rmsd > 7.791 )
and bondedto( attr rmsd < 113.381 and attr rmsd > 112.581 ))
( attr rmsd < 2.111 and attr rmsd > 2.031 )
6 6 0 peak 10151 volume 10.84780 ppm1 7.831 ppm2 2.071
assi (( attr rmsd < 7.797 and attr rmsd > 7.717 )
and bondedto( attr rmsd < 115.539 and attr rmsd > 114.739 ))
( attr rmsd < 1.367 and attr rmsd > 1.287 )
6 6 0 peak 10371 volume 5.63010 ppm1 7.757 ppm2 1.327
assi (( attr rmsd < 7.826 and attr rmsd > 7.746 )
and bondedto( attr rmsd < 116.001 and attr rmsd > 115.201 ))
( attr rmsd < 0.877 and attr rmsd > 0.797 )
6 6 0 peak 10471 volume 7.05940 ppm1 7.786 ppm2 0.837
assi (( attr rmsd < 8.188 and attr rmsd > 8.108 )
and bondedto( attr rmsd < 119.007 and attr rmsd > 118.207 ))
( attr rmsd < 0.885 and attr rmsd > 0.805 )
6 6 0 peak 10741 volume 8.85290 ppm1 8.148 ppm2 0.845
assi (( attr rmsd < 7.621 and attr rmsd > 7.541 )
and bondedto( attr rmsd < 119.315 and attr rmsd > 118.515 ))
( attr rmsd < 1.744 and attr rmsd > 1.664 )
6 6 0 peak 10831 volume 13.49640 ppm1 7.581 ppm2 1.704
assi (( attr rmsd < 8.942 and attr rmsd > 8.862 )
and bondedto( attr rmsd < 121.088 and attr rmsd > 120.288 ))
( attr rmsd < 6.853 and attr rmsd > 6.773 )
6 6 0 peak 10981 volume 21.18180 ppm1 8.902 ppm2 6.813
assi (( attr rmsd < 6.483 and attr rmsd > 6.403 )
and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 ))
( attr rmsd < 3.763 and attr rmsd > 3.683 )
6 6 0 peak 11151 volume 16.48870 ppm1 6.443 ppm2 3.723
assi (( attr rmsd < 8.518 and attr rmsd > 8.438 )
and bondedto( attr rmsd < 123.246 and attr rmsd > 122.446 ))
( attr rmsd < 2.039 and attr rmsd > 1.959 )
6 6 0 peak 11271 volume 13.19030 ppm1 8.478 ppm2 1.999
assi (( attr rmsd < 8.388 and attr rmsd > 8.308 )
and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 ))
( attr rmsd < 4.337 and attr rmsd > 4.257 )
6 6 0 peak 11281 volume 261.85220 ppm1 8.348 ppm2 4.297
assi (( attr rmsd < 8.386 and attr rmsd > 8.306 )
and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 ))
( attr rmsd < 1.621 and attr rmsd > 1.541 )
6 6 0 peak 11291 volume 20.66160 ppm1 8.346 ppm2 1.581
assi (( attr rmsd < 0.128 and attr rmsd > 0.048 )
and bondedto( attr rmsd < 4.0966 and attr rmsd > 3.2966 ))
( attr rmsd < 0.04 and attr rmsd > -0.04 )
6 6 0 peak 11301 volume 20.66160 ppm1 0.088 ppm2 0.000
assi (( attr rmsd < 8.39 and attr rmsd > 8.31 )
and bondedto( attr rmsd < 123.323 and attr rmsd > 122.523 ))
( attr rmsd < 1.429 and attr rmsd > 1.349 )
6 6 0 peak 11311 volume 46.64800 ppm1 8.350 ppm2 1.389
assi (( attr rmsd < 7.568 and attr rmsd > 7.488 )
and bondedto( attr rmsd < 124.093 and attr rmsd > 123.293 ))
( attr rmsd < 2.552 and attr rmsd > 2.472 )
6 6 0 peak 11361 volume 8.86750 ppm1 7.528 ppm2 2.512
assi (( attr rmsd < 7.84 and attr rmsd > 7.76 )
and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 ))
( attr rmsd < 4.408 and attr rmsd > 4.328 )
6 6 0 peak 11391 volume 26.67490 ppm1 7.800 ppm2 4.368
assi (( attr rmsd < 10.329 and attr rmsd > 10.249 )
and bondedto( attr rmsd < 111.068 and attr rmsd > 110.268 ))
( attr rmsd < 4.664 and attr rmsd > 4.584 )
6 6 0 peak 11781 volume 4.98990 ppm1 10.289 ppm2 4.624
assi (( attr rmsd < 10.334 and attr rmsd > 10.254 )
and bondedto( attr rmsd < 111.068 and attr rmsd > 110.268 ))
( attr rmsd < 1.866 and attr rmsd > 1.786 )
6 6 0 peak 11791 volume 18.49630 ppm1 10.294 ppm2 1.826
assi (( attr rmsd < 7.037 and attr rmsd > 6.957 )
and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 ))
( attr rmsd < 0.951 and attr rmsd > 0.871 )
6 6 0 peak 12041 volume 16.98530 ppm1 6.997 ppm2 0.911
assi (( attr rmsd < 8.414 and attr rmsd > 8.334 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 2.327 and attr rmsd > 2.247 )
6 6 0 peak 12181 volume 16.28140 ppm1 8.374 ppm2 2.287
assi (( attr rmsd < 8.416 and attr rmsd > 8.336 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 2.028 and attr rmsd > 1.948 )
6 6 0 peak 12191 volume 39.41860 ppm1 8.376 ppm2 1.988
assi (( attr rmsd < 8.417 and attr rmsd > 8.337 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 3.124 and attr rmsd > 3.044 )
6 6 0 peak 12201 volume 12.42290 ppm1 8.377 ppm2 3.084
assi (( attr rmsd < 8.415 and attr rmsd > 8.335 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 3.717 and attr rmsd > 3.637 )
6 6 0 peak 12211 volume 8.85710 ppm1 8.375 ppm2 3.677
assi (( attr rmsd < 8.416 and attr rmsd > 8.336 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 4.147 and attr rmsd > 4.067 )
6 6 0 peak 12221 volume 54.94310 ppm1 8.376 ppm2 4.107
assi (( attr rmsd < 8.416 and attr rmsd > 8.336 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 4.394 and attr rmsd > 4.314 )
6 6 0 peak 12231 volume 67.97590 ppm1 8.376 ppm2 4.354
assi (( attr rmsd < 8.325 and attr rmsd > 8.245 )
and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 ))
( attr rmsd < 4.386 and attr rmsd > 4.306 )
6 6 0 peak 12241 volume 115.77530 ppm1 8.285 ppm2 4.346
assi (( attr rmsd < 8.326 and attr rmsd > 8.246 )
and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 ))
( attr rmsd < 2.03 and attr rmsd > 1.95 )
6 6 0 peak 12251 volume 5.05480 ppm1 8.286 ppm2 1.990
assi (( attr rmsd < 8.325 and attr rmsd > 8.245 )
and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 ))
( attr rmsd < 1.77 and attr rmsd > 1.69 )
6 6 0 peak 12261 volume 28.94180 ppm1 8.285 ppm2 1.730
assi (( attr rmsd < 8.324 and attr rmsd > 8.244 )
and bondedto( attr rmsd < 122.321 and attr rmsd > 121.521 ))
( attr rmsd < 1.625 and attr rmsd > 1.545 )
6 6 0 peak 12271 volume 21.61410 ppm1 8.284 ppm2 1.585
assi (( attr rmsd < 8.186 and attr rmsd > 8.106 )
and bondedto( attr rmsd < 119.007 and attr rmsd > 118.207 ))
( attr rmsd < 0.798 and attr rmsd > 0.718 )
6 6 0 peak 12581 volume 11.32460 ppm1 8.146 ppm2 0.758
assi (( attr rmsd < 7.483 and attr rmsd > 7.403 )
and bondedto( attr rmsd < 117.542 and attr rmsd > 116.742 ))
( attr rmsd < 1.93 and attr rmsd > 1.85 )
6 6 0 peak 12631 volume 14.32890 ppm1 7.443 ppm2 1.890
assi (( attr rmsd < 7.486 and attr rmsd > 7.406 )
and bondedto( attr rmsd < 117.542 and attr rmsd > 116.742 ))
( attr rmsd < 0.699 and attr rmsd > 0.619 )
6 6 0 peak 12651 volume 29.80600 ppm1 7.446 ppm2 0.659
assi (( attr rmsd < 7.514 and attr rmsd > 7.434 )
and bondedto( attr rmsd < 127.099 and attr rmsd > 126.299 ))
( attr rmsd < 0.935 and attr rmsd > 0.855 )
6 6 0 peak 12741 volume 12.70280 ppm1 7.474 ppm2 0.895
assi (( attr rmsd < 7.52 and attr rmsd > 7.44 )
and bondedto( attr rmsd < 127.099 and attr rmsd > 126.299 ))
( attr rmsd < 0.802 and attr rmsd > 0.722 )
6 6 0 peak 12751 volume 7.13170 ppm1 7.480 ppm2 0.762
assi (( attr rmsd < 7.081 and attr rmsd > 7.001 )
and bondedto( attr rmsd < 125.404 and attr rmsd > 124.604 ))
( attr rmsd < 0.902 and attr rmsd > 0.822 )
6 6 0 peak 12791 volume 8.50100 ppm1 7.041 ppm2 0.862
assi (( attr rmsd < 7.937 and attr rmsd > 7.857 )
and bondedto( attr rmsd < 117.388 and attr rmsd > 116.588 ))
( attr rmsd < 0.593 and attr rmsd > 0.513 )
6 6 0 peak 13031 volume 8.47820 ppm1 7.897 ppm2 0.553
assi (( attr rmsd < 7.87 and attr rmsd > 7.79 )
and bondedto( attr rmsd < 113.381 and attr rmsd > 112.581 ))
( attr rmsd < 1.094 and attr rmsd > 1.014 )
6 6 0 peak 13051 volume 9.79850 ppm1 7.830 ppm2 1.054
assi (( attr rmsd < 8.469 and attr rmsd > 8.389 )
and bondedto( attr rmsd < 118.776 and attr rmsd > 117.976 ))
( attr rmsd < 2.964 and attr rmsd > 2.884 )
6 6 0 peak 13711 volume 14.22970 ppm1 8.429 ppm2 2.924
assi (( attr rmsd < 8.468 and attr rmsd > 8.388 )
and bondedto( attr rmsd < 118.776 and attr rmsd > 117.976 ))
( attr rmsd < 1.775 and attr rmsd > 1.695 )
6 6 0 peak 13731 volume 18.26900 ppm1 8.428 ppm2 1.735
assi (( attr rmsd < 8.04 and attr rmsd > 7.96 )
and bondedto( attr rmsd < 122.552 and attr rmsd > 121.752 ))
( attr rmsd < -0.53 and attr rmsd > -0.61 )
6 6 0 peak 13751 volume 2.51810 ppm1 8.000 ppm2 -0.570
assi (( attr rmsd < 8.664 and attr rmsd > 8.584 )
and bondedto( attr rmsd < 122.86 and attr rmsd > 122.06 ))
( attr rmsd < 2.173 and attr rmsd > 2.093 )
6 6 0 peak 13921 volume 4.63130 ppm1 8.624 ppm2 2.133
assi (( attr rmsd < 7.469 and attr rmsd > 7.389 )
and bondedto( attr rmsd < 110.298 and attr rmsd > 109.498 ))
( attr rmsd < 1.577 and attr rmsd > 1.497 )
6 6 0 peak 14231 volume 8.32270 ppm1 7.429 ppm2 1.537
assi (( attr rmsd < 8.415 and attr rmsd > 8.335 )
and bondedto( attr rmsd < 115.153 and attr rmsd > 114.353 ))
( attr rmsd < 6.843 and attr rmsd > 6.763 )
6 6 0 peak 14261 volume 6.44600 ppm1 8.375 ppm2 6.803
assi (( attr rmsd < 7.709 and attr rmsd > 7.629 )
and bondedto( attr rmsd < 114.614 and attr rmsd > 113.814 ))
( attr rmsd < 7.146 and attr rmsd > 7.066 )
6 6 0 peak 14321 volume 16.62530 ppm1 7.669 ppm2 7.106
assi (( attr rmsd < 7.708 and attr rmsd > 7.628 )
and bondedto( attr rmsd < 114.614 and attr rmsd > 113.814 ))
( attr rmsd < 7.43 and attr rmsd > 7.35 )
6 6 0 peak 14331 volume 17.09620 ppm1 7.668 ppm2 7.390
assi (( attr rmsd < 7.962 and attr rmsd > 7.882 )
and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 ))
( attr rmsd < 1.187 and attr rmsd > 1.107 )
6 6 0 peak 14371 volume 11.53690 ppm1 7.922 ppm2 1.147
assi (( attr rmsd < 7.972 and attr rmsd > 7.892 )
and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 ))
( attr rmsd < 1.334 and attr rmsd > 1.254 )
6 6 0 peak 14381 volume 7.23240 ppm1 7.932 ppm2 1.294
assi (( attr rmsd < 7.963 and attr rmsd > 7.883 )
and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 ))
( attr rmsd < 1.472 and attr rmsd > 1.392 )
6 6 0 peak 14391 volume 19.66430 ppm1 7.923 ppm2 1.432
assi (( attr rmsd < 7.362 and attr rmsd > 7.282 )
and bondedto( attr rmsd < 119.546 and attr rmsd > 118.746 ))
( attr rmsd < 1.558 and attr rmsd > 1.478 )
6 6 0 peak 14511 volume 6.16190 ppm1 7.322 ppm2 1.518
assi (( attr rmsd < 8.482 and attr rmsd > 8.402 )
and bondedto( attr rmsd < 117.388 and attr rmsd > 116.588 ))
( attr rmsd < 2.106 and attr rmsd > 2.026 )
6 6 0 peak 14561 volume 5.72980 ppm1 8.442 ppm2 2.066
assi (( attr rmsd < 8.963 and attr rmsd > 8.883 )
and bondedto( attr rmsd < 119.623 and attr rmsd > 118.823 ))
( attr rmsd < 6.681 and attr rmsd > 6.601 )
6 6 0 peak 14741 volume 8.26940 ppm1 8.923 ppm2 6.641
assi (( attr rmsd < 8.969 and attr rmsd > 8.889 )
and bondedto( attr rmsd < 119.623 and attr rmsd > 118.823 ))
( attr rmsd < 3.731 and attr rmsd > 3.651 )
6 6 0 peak 14751 volume 3.95870 ppm1 8.929 ppm2 3.691
assi (( attr rmsd < 7.352 and attr rmsd > 7.272 )
and bondedto( attr rmsd < 121.854 and attr rmsd > 121.054 ))
( attr rmsd < 7.049 and attr rmsd > 6.969 )
6 6 0 peak 14851 volume 18.22780 ppm1 7.312 ppm2 7.009
assi (( attr rmsd < 8.835 and attr rmsd > 8.755 )
and bondedto( attr rmsd < 118.467 and attr rmsd > 117.667 ))
( attr rmsd < 7.165 and attr rmsd > 7.085 )
6 6 0 peak 15021 volume 4.27980 ppm1 8.795 ppm2 7.125
assi (( attr rmsd < 7.211 and attr rmsd > 7.131 )
and bondedto( attr rmsd < 118.159 and attr rmsd > 117.359 ))
( attr rmsd < 6.886 and attr rmsd > 6.806 )
6 6 0 peak 15111 volume 6.69000 ppm1 7.171 ppm2 6.846
assi (( attr rmsd < 9.214 and attr rmsd > 9.134 )
and bondedto( attr rmsd < 121.781 and attr rmsd > 120.981 ))
( attr rmsd < 8.956 and attr rmsd > 8.876 )
6 6 0 peak 15151 volume 3.33130 ppm1 9.174 ppm2 8.916
assi (( attr rmsd < 8.584 and attr rmsd > 8.504 )
and bondedto( attr rmsd < 120.548 and attr rmsd > 119.748 ))
( attr rmsd < 0.068 and attr rmsd > -0.012 )
6 6 0 peak 15231 volume 4.98200 ppm1 8.544 ppm2 0.028
assi (( attr rmsd < 7.838 and attr rmsd > 7.758 )
and bondedto( attr rmsd < 123.014 and attr rmsd > 122.214 ))
( attr rmsd < 2.275 and attr rmsd > 2.195 )
6 6 0 peak 15321 volume 14.01490 ppm1 7.798 ppm2 2.235
assi (( attr rmsd < 7.83 and attr rmsd > 7.75 )
and bondedto( attr rmsd < 123.014 and attr rmsd > 122.214 ))
( attr rmsd < 1.128 and attr rmsd > 1.048 )
6 6 0 peak 15341 volume 7.00870 ppm1 7.790 ppm2 1.088
assi (( attr rmsd < 8.005 and attr rmsd > 7.925 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 2.544 and attr rmsd > 2.464 )
6 6 0 peak 15431 volume 6.46240 ppm1 7.965 ppm2 2.504
assi (( attr rmsd < 8.869 and attr rmsd > 8.789 )
and bondedto( attr rmsd < 118.082 and attr rmsd > 117.282 ))
( attr rmsd < 7.245 and attr rmsd > 7.165 )
6 6 0 peak 15581 volume 4.73460 ppm1 8.829 ppm2 7.205
assi (( attr rmsd < 8.479 and attr rmsd > 8.399 )
and bondedto( attr rmsd < 125.866 and attr rmsd > 125.066 ))
( attr rmsd < 2.639 and attr rmsd > 2.559 )
6 6 0 peak 15811 volume 6.71270 ppm1 8.439 ppm2 2.599
assi (( attr rmsd < 8.858 and attr rmsd > 8.778 )
and bondedto( attr rmsd < 123.246 and attr rmsd > 122.446 ))
( attr rmsd < 2.234 and attr rmsd > 2.154 )
6 6 0 peak 15881 volume 3.60660 ppm1 8.818 ppm2 2.194
assi (( attr rmsd < 8.554 and attr rmsd > 8.474 )
and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 ))
( attr rmsd < 1.798 and attr rmsd > 1.718 )
6 6 0 peak 16051 volume 58.92410 ppm1 8.514 ppm2 1.758
assi (( attr rmsd < 8.553 and attr rmsd > 8.473 )
and bondedto( attr rmsd < 124.016 and attr rmsd > 123.216 ))
( attr rmsd < 4.36 and attr rmsd > 4.28 )
6 6 0 peak 16061 volume 71.19800 ppm1 8.513 ppm2 4.320
assi (( attr rmsd < 7.08 and attr rmsd > 7 )
and bondedto( attr rmsd < 125.404 and attr rmsd > 124.604 ))
( attr rmsd < 0.83 and attr rmsd > 0.75 )
6 6 0 peak 16091 volume 5.60460 ppm1 7.040 ppm2 0.790
assi (( attr rmsd < 8.068 and attr rmsd > 7.988 )
and bondedto( attr rmsd < 114.228 and attr rmsd > 113.428 ))
( attr rmsd < 0.826 and attr rmsd > 0.746 )
6 6 0 peak 16101 volume 6.65570 ppm1 8.028 ppm2 0.786
assi (( attr rmsd < 7.326 and attr rmsd > 7.246 )
and bondedto( attr rmsd < 125.25 and attr rmsd > 124.45 ))
( attr rmsd < 1.953 and attr rmsd > 1.873 )
6 6 0 peak 16271 volume 2.73220 ppm1 7.286 ppm2 1.913
assi (( attr rmsd < 6.593 and attr rmsd > 6.513 )
and bondedto( attr rmsd < 118.39 and attr rmsd > 117.59 ))
( attr rmsd < 0.577 and attr rmsd > 0.497 )
6 6 0 peak 16851 volume 5.54890 ppm1 6.553 ppm2 0.537
assi (( attr rmsd < 7.648 and attr rmsd > 7.568 )
and bondedto( attr rmsd < 112.995 and attr rmsd > 112.195 ))
( attr rmsd < 1.427 and attr rmsd > 1.347 )
6 6 0 peak 16951 volume 4.17780 ppm1 7.608 ppm2 1.387
assi (( attr rmsd < 8.478 and attr rmsd > 8.398 )
and bondedto( attr rmsd < 119.469 and attr rmsd > 118.669 ))
( attr rmsd < 6.691 and attr rmsd > 6.611 )
6 6 0 peak 17001 volume 6.96000 ppm1 8.438 ppm2 6.651
assi (( attr rmsd < 7.637 and attr rmsd > 7.557 )
and bondedto( attr rmsd < 112.07 and attr rmsd > 111.27 ))
( attr rmsd < 2.266 and attr rmsd > 2.186 )
6 6 0 peak 17181 volume 30.15600 ppm1 7.597 ppm2 2.226
assi (( attr rmsd < 7.035 and attr rmsd > 6.955 )
and bondedto( attr rmsd < 115.77 and attr rmsd > 114.97 ))
( attr rmsd < 1.687 and attr rmsd > 1.607 )
6 6 0 peak 17311 volume 5.79240 ppm1 6.995 ppm2 1.647
assi (( attr rmsd < 8.422 and attr rmsd > 8.342 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 2.875 and attr rmsd > 2.795 )
6 6 0 peak 17411 volume 3.64730 ppm1 8.382 ppm2 2.835
assi (( attr rmsd < 8.416 and attr rmsd > 8.336 )
and bondedto( attr rmsd < 120.934 and attr rmsd > 120.134 ))
( attr rmsd < 2.154 and attr rmsd > 2.074 )
6 6 0 peak 17421 volume 39.31670 ppm1 8.376 ppm2 2.114
assi (( attr rmsd < 7.36 and attr rmsd > 7.28 )
and bondedto( attr rmsd < 124.171 and attr rmsd > 123.371 ))
( attr rmsd < 4.533 and attr rmsd > 4.453 )
6 6 0 peak 17451 volume 4.43470 ppm1 7.320 ppm2 4.493
!
!
!The last digit in peak ID is the spectrum number