NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
17844 |
2d82   |
6960 | cing | 1-original | 4 | XPLOR/CNS | peak |
! F3 (1H): 0.05 ppm
! F2 (X): 0.5 ppm
! F1 (1H): 0.05 ppm
!The last digit in peak ID is the spectrum number
assi (( attr rmsd < 1.386 and attr rmsd > 1.286 )
and bondedto( attr rmsd < 19.869 and attr rmsd > 18.869 ))
( attr rmsd < 2.454 and attr rmsd > 2.354 )
6 6 0 peak 52 volume 6.36260 ppm1 1.336 ppm2 2.404
assi (( attr rmsd < 1.46 and attr rmsd > 1.36 )
and bondedto( attr rmsd < 18.231 and attr rmsd > 17.231 ))
( attr rmsd < 2.433 and attr rmsd > 2.333 )
6 6 0 peak 232 volume 16.22780 ppm1 1.410 ppm2 2.383
assi (( attr rmsd < -0.32 and attr rmsd > -0.42 )
and bondedto( attr rmsd < 20.78 and attr rmsd > 19.78 ))
( attr rmsd < 7.442 and attr rmsd > 7.342 )
6 6 0 peak 992 volume 14.37770 ppm1 -0.370 ppm2 7.392
assi (( attr rmsd < 0.671 and attr rmsd > 0.571 )
and bondedto( attr rmsd < 26.101 and attr rmsd > 25.101 ))
( attr rmsd < 4.358 and attr rmsd > 4.258 )
6 6 0 peak 4312 volume 93.39240 ppm1 0.621 ppm2 4.308
assi (( attr rmsd < 4.401 and attr rmsd > 4.301 )
and bondedto( attr rmsd < 58.218 and attr rmsd > 57.218 ))
( attr rmsd < 6.865 and attr rmsd > 6.765 )
6 6 0 peak 4462 volume 8.74790 ppm1 4.351 ppm2 6.815
assi (( attr rmsd < 4.209 and attr rmsd > 4.109 )
and bondedto( attr rmsd < 59.86 and attr rmsd > 58.86 ))
( attr rmsd < 1.913 and attr rmsd > 1.813 )
6 6 0 peak 4732 volume 87.18210 ppm1 4.159 ppm2 1.863
assi (( attr rmsd < 1.523 and attr rmsd > 1.423 )
and bondedto( attr rmsd < 16.514 and attr rmsd > 15.514 ))
( attr rmsd < 1.313 and attr rmsd > 1.213 )
6 6 0 peak 6372 volume 15.25980 ppm1 1.473 ppm2 1.263
assi (( attr rmsd < 3.826 and attr rmsd > 3.726 )
and bondedto( attr rmsd < 51.586 and attr rmsd > 50.586 ))
( attr rmsd < 7.442 and attr rmsd > 7.342 )
6 6 0 peak 7372 volume 46.65760 ppm1 3.776 ppm2 7.392
assi (( attr rmsd < 0.904 and attr rmsd > 0.804 )
and bondedto( attr rmsd < 17.924 and attr rmsd > 16.924 ))
( attr rmsd < 4.694 and attr rmsd > 4.594 )
6 6 0 peak 9272 volume 4.27870 ppm1 0.854 ppm2 4.644
assi (( attr rmsd < 0.934 and attr rmsd > 0.834 )
and bondedto( attr rmsd < 12.243 and attr rmsd > 11.243 ))
( attr rmsd < 0.79 and attr rmsd > 0.69 )
6 6 0 peak 9562 volume 9.58490 ppm1 0.884 ppm2 0.740
assi (( attr rmsd < 0.398 and attr rmsd > 0.298 )
and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 ))
( attr rmsd < 3.058 and attr rmsd > 2.958 )
6 6 0 peak 9592 volume 5.34360 ppm1 0.348 ppm2 3.008
assi (( attr rmsd < -0.325 and attr rmsd > -0.425 )
and bondedto( attr rmsd < 20.78 and attr rmsd > 19.78 ))
( attr rmsd < 0.128 and attr rmsd > 0.028 )
6 6 0 peak 9972 volume 1.55000 ppm1 -0.375 ppm2 0.078
assi (( attr rmsd < 0.791 and attr rmsd > 0.691 )
and bondedto( attr rmsd < 23.72 and attr rmsd > 22.72 ))
( attr rmsd < 2.189 and attr rmsd > 2.089 )
6 6 0 peak 10002 volume 2.26480 ppm1 0.741 ppm2 2.139
assi (( attr rmsd < 0.396 and attr rmsd > 0.296 )
and bondedto( attr rmsd < 25.736 and attr rmsd > 24.736 ))
( attr rmsd < 1.607 and attr rmsd > 1.507 )
6 6 0 peak 11082 volume 8.61790 ppm1 0.346 ppm2 1.557
assi (( attr rmsd < 0.949 and attr rmsd > 0.849 )
and bondedto( attr rmsd < 23.843 and attr rmsd > 22.843 ))
( attr rmsd < 2.087 and attr rmsd > 1.987 )
6 6 0 peak 11682 volume 8.18210 ppm1 0.899 ppm2 2.037
assi (( attr rmsd < 1.146 and attr rmsd > 1.046 )
and bondedto( attr rmsd < 41.598 and attr rmsd > 40.598 ))
( attr rmsd < 2.424 and attr rmsd > 2.324 )
6 6 0 peak 11862 volume 1.81800 ppm1 1.096 ppm2 2.374
assi (( attr rmsd < 0.881 and attr rmsd > 0.781 )
and bondedto( attr rmsd < 25.736 and attr rmsd > 24.736 ))
( attr rmsd < 1.142 and attr rmsd > 1.042 )
6 6 0 peak 13062 volume 58.13880 ppm1 0.831 ppm2 1.092
assi (( attr rmsd < 0.614 and attr rmsd > 0.514 )
and bondedto( attr rmsd < 24.079 and attr rmsd > 23.079 ))
( attr rmsd < 7.418 and attr rmsd > 7.318 )
6 6 0 peak 14102 volume 7.97080 ppm1 0.564 ppm2 7.368
assi (( attr rmsd < 1.853 and attr rmsd > 1.753 )
and bondedto( attr rmsd < 26.683 and attr rmsd > 25.683 ))
( attr rmsd < 1.402 and attr rmsd > 1.302 )
6 6 0 peak 14152 volume 3.79930 ppm1 1.803 ppm2 1.352
assi (( attr rmsd < 2.804 and attr rmsd > 2.704 )
and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 ))
( attr rmsd < 2.235 and attr rmsd > 2.135 )
6 6 0 peak 16192 volume 2.19760 ppm1 2.754 ppm2 2.185
assi (( attr rmsd < 4.287 and attr rmsd > 4.187 )
and bondedto( attr rmsd < 62.75 and attr rmsd > 61.75 ))
( attr rmsd < 2.032 and attr rmsd > 1.932 )
6 6 0 peak 17622 volume 6.35340 ppm1 4.237 ppm2 1.982
assi (( attr rmsd < 3.976 and attr rmsd > 3.876 )
and bondedto( attr rmsd < 58.879 and attr rmsd > 57.879 ))
( attr rmsd < 3.675 and attr rmsd > 3.575 )
6 6 0 peak 17952 volume 2.09240 ppm1 3.926 ppm2 3.625
assi (( attr rmsd < 1.529 and attr rmsd > 1.429 )
and bondedto( attr rmsd < 24.789 and attr rmsd > 23.789 ))
( attr rmsd < 2.346 and attr rmsd > 2.246 )
6 6 0 peak 20902 volume 4.01120 ppm1 1.479 ppm2 2.296
assi (( attr rmsd < 1.281 and attr rmsd > 1.181 )
and bondedto( attr rmsd < 24.789 and attr rmsd > 23.789 ))
( attr rmsd < 2.353 and attr rmsd > 2.253 )
6 6 0 peak 20912 volume 2.76110 ppm1 1.231 ppm2 2.303
assi (( attr rmsd < 1.218 and attr rmsd > 1.118 )
and bondedto( attr rmsd < 19.581 and attr rmsd > 18.581 ))
( attr rmsd < 0.786 and attr rmsd > 0.686 )
6 6 0 peak 22682 volume 3.86980 ppm1 1.168 ppm2 0.736
assi (( attr rmsd < 0.878 and attr rmsd > 0.778 )
and bondedto( attr rmsd < 12.953 and attr rmsd > 11.953 ))
( attr rmsd < 0.572 and attr rmsd > 0.472 )
6 6 0 peak 22722 volume 0.50950 ppm1 0.828 ppm2 0.522
assi (( attr rmsd < 4.819 and attr rmsd > 4.719 )
and bondedto( attr rmsd < 56.749 and attr rmsd > 55.749 ))
( attr rmsd < 6.852 and attr rmsd > 6.752 )
6 6 0 peak 22922 volume 0.91920 ppm1 4.769 ppm2 6.802
assi (( attr rmsd < 2.804 and attr rmsd > 2.704 )
and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 ))
( attr rmsd < 7.433 and attr rmsd > 7.333 )
6 6 0 peak 22942 volume 1.09720 ppm1 2.754 ppm2 7.383
assi (( attr rmsd < 3.799 and attr rmsd > 3.699 )
and bondedto( attr rmsd < 50.594 and attr rmsd > 49.594 ))
( attr rmsd < 7.439 and attr rmsd > 7.339 )
6 6 0 peak 22952 volume 7.86350 ppm1 3.749 ppm2 7.389
assi (( attr rmsd < 2.972 and attr rmsd > 2.872 )
and bondedto( attr rmsd < 42.58 and attr rmsd > 41.58 ))
( attr rmsd < 4.5 and attr rmsd > 4.4 )
6 6 0 peak 23072 volume 13.12350 ppm1 2.922 ppm2 4.450
assi (( attr rmsd < 2.039 and attr rmsd > 1.939 )
and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 ))
( attr rmsd < 1.592 and attr rmsd > 1.492 )
6 6 0 peak 23662 volume 4.32690 ppm1 1.989 ppm2 1.542
assi (( attr rmsd < 2.045 and attr rmsd > 1.945 )
and bondedto( attr rmsd < 14.61 and attr rmsd > 13.61 ))
( attr rmsd < 1.447 and attr rmsd > 1.347 )
6 6 0 peak 23672 volume 6.95750 ppm1 1.995 ppm2 1.397
assi (( attr rmsd < 1.799 and attr rmsd > 1.699 )
and bondedto( attr rmsd < 18.393 and attr rmsd > 17.393 ))
( attr rmsd < 0.858 and attr rmsd > 0.758 )
6 6 0 peak 23762 volume 10.65260 ppm1 1.749 ppm2 0.808
assi (( attr rmsd < 0.793 and attr rmsd > 0.693 )
and bondedto( attr rmsd < 19.22 and attr rmsd > 18.22 ))
( attr rmsd < 0.109 and attr rmsd > 0.009 )
6 6 0 peak 23772 volume 2.11910 ppm1 0.743 ppm2 0.059
assi (( attr rmsd < 0.794 and attr rmsd > 0.694 )
and bondedto( attr rmsd < 23.666 and attr rmsd > 22.666 ))
( attr rmsd < 2.566 and attr rmsd > 2.466 )
6 6 0 peak 23812 volume 22.33420 ppm1 0.744 ppm2 2.516
assi (( attr rmsd < 0.874 and attr rmsd > 0.774 )
and bondedto( attr rmsd < 22.468 and attr rmsd > 21.468 ))
( attr rmsd < 7.757 and attr rmsd > 7.657 )
6 6 0 peak 23922 volume 16.23220 ppm1 0.824 ppm2 7.707
assi (( attr rmsd < 0.874 and attr rmsd > 0.774 )
and bondedto( attr rmsd < 22.468 and attr rmsd > 21.468 ))
( attr rmsd < 7.262 and attr rmsd > 7.162 )
6 6 0 peak 23932 volume 5.43100 ppm1 0.824 ppm2 7.212
assi (( attr rmsd < 0.881 and attr rmsd > 0.781 )
and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 ))
( attr rmsd < 1.226 and attr rmsd > 1.126 )
6 6 0 peak 24132 volume 17.31900 ppm1 0.831 ppm2 1.176
assi (( attr rmsd < 0.402 and attr rmsd > 0.302 )
and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 ))
( attr rmsd < 0.789 and attr rmsd > 0.689 )
6 6 0 peak 24182 volume 3.89740 ppm1 0.352 ppm2 0.739
assi (( attr rmsd < 0.401 and attr rmsd > 0.301 )
and bondedto( attr rmsd < 25.823 and attr rmsd > 24.823 ))
( attr rmsd < 0.884 and attr rmsd > 0.784 )
6 6 0 peak 24192 volume 4.73510 ppm1 0.351 ppm2 0.834
assi (( attr rmsd < 0.793 and attr rmsd > 0.693 )
and bondedto( attr rmsd < 26.782 and attr rmsd > 25.782 ))
( attr rmsd < 7.754 and attr rmsd > 7.654 )
6 6 0 peak 24302 volume 12.35960 ppm1 0.743 ppm2 7.704
assi (( attr rmsd < 1.46 and attr rmsd > 1.36 )
and bondedto( attr rmsd < 27.964 and attr rmsd > 26.964 ))
( attr rmsd < 7.446 and attr rmsd > 7.346 )
6 6 0 peak 24372 volume 2.55520 ppm1 1.410 ppm2 7.396
assi (( attr rmsd < 1.847 and attr rmsd > 1.747 )
and bondedto( attr rmsd < 27.964 and attr rmsd > 26.964 ))
( attr rmsd < 7.449 and attr rmsd > 7.349 )
6 6 0 peak 24382 volume 5.21990 ppm1 1.797 ppm2 7.399
assi (( attr rmsd < 1.706 and attr rmsd > 1.606 )
and bondedto( attr rmsd < 29.658 and attr rmsd > 28.658 ))
( attr rmsd < 7.38 and attr rmsd > 7.28 )
6 6 0 peak 24472 volume 3.28780 ppm1 1.656 ppm2 7.330
assi (( attr rmsd < 1.708 and attr rmsd > 1.608 )
and bondedto( attr rmsd < 29.658 and attr rmsd > 28.658 ))
( attr rmsd < 7.439 and attr rmsd > 7.339 )
6 6 0 peak 24482 volume 2.44180 ppm1 1.658 ppm2 7.389
assi (( attr rmsd < 1.906 and attr rmsd > 1.806 )
and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 ))
( attr rmsd < 1.611 and attr rmsd > 1.511 )
6 6 0 peak 24592 volume 30.33470 ppm1 1.856 ppm2 1.561
assi (( attr rmsd < 1.918 and attr rmsd > 1.818 )
and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 ))
( attr rmsd < 1.502 and attr rmsd > 1.402 )
6 6 0 peak 24602 volume 28.19950 ppm1 1.868 ppm2 1.452
assi (( attr rmsd < 1.912 and attr rmsd > 1.812 )
and bondedto( attr rmsd < 30.617 and attr rmsd > 29.617 ))
( attr rmsd < 1.749 and attr rmsd > 1.649 )
6 6 0 peak 24612 volume 50.17210 ppm1 1.862 ppm2 1.699
assi (( attr rmsd < 2.063 and attr rmsd > 1.963 )
and bondedto( attr rmsd < 33.254 and attr rmsd > 32.254 ))
( attr rmsd < 3.746 and attr rmsd > 3.646 )
6 6 0 peak 24732 volume 7.58290 ppm1 2.013 ppm2 3.696
assi (( attr rmsd < 2.55 and attr rmsd > 2.45 )
and bondedto( attr rmsd < 34.023 and attr rmsd > 33.023 ))
( attr rmsd < 2.117 and attr rmsd > 2.017 )
6 6 0 peak 24762 volume 55.96790 ppm1 2.500 ppm2 2.067
assi (( attr rmsd < 2.456 and attr rmsd > 2.356 )
and bondedto( attr rmsd < 34.023 and attr rmsd > 33.023 ))
( attr rmsd < 2.118 and attr rmsd > 2.018 )
6 6 0 peak 24772 volume 60.09110 ppm1 2.406 ppm2 2.068
assi (( attr rmsd < 2.712 and attr rmsd > 2.612 )
and bondedto( attr rmsd < 33.074 and attr rmsd > 32.074 ))
( attr rmsd < 2.356 and attr rmsd > 2.256 )
6 6 0 peak 24852 volume 6.30710 ppm1 2.662 ppm2 2.306
assi (( attr rmsd < 2.599 and attr rmsd > 2.499 )
and bondedto( attr rmsd < 33.074 and attr rmsd > 32.074 ))
( attr rmsd < 2.362 and attr rmsd > 2.262 )
6 6 0 peak 24862 volume 11.17580 ppm1 2.549 ppm2 2.312
assi (( attr rmsd < 4.152 and attr rmsd > 4.052 )
and bondedto( attr rmsd < 58.101 and attr rmsd > 57.101 ))
( attr rmsd < 2.862 and attr rmsd > 2.762 )
6 6 0 peak 25202 volume 4.44950 ppm1 4.102 ppm2 2.812
assi (( attr rmsd < 0.873 and attr rmsd > 0.773 )
and bondedto( attr rmsd < 13.047 and attr rmsd > 12.047 ))
( attr rmsd < 2.499 and attr rmsd > 2.399 )
6 6 0 peak 25552 volume 1.93190 ppm1 0.823 ppm2 2.449
assi (( attr rmsd < 2.045 and attr rmsd > 1.945 )
and bondedto( attr rmsd < 14.703 and attr rmsd > 13.703 ))
( attr rmsd < 2.8 and attr rmsd > 2.7 )
6 6 0 peak 25562 volume 4.27700 ppm1 1.995 ppm2 2.750
assi (( attr rmsd < 1.516 and attr rmsd > 1.416 )
and bondedto( attr rmsd < 16.597 and attr rmsd > 15.597 ))
( attr rmsd < 0.823 and attr rmsd > 0.723 )
6 6 0 peak 25592 volume 2.10950 ppm1 1.466 ppm2 0.773
assi (( attr rmsd < 1.516 and attr rmsd > 1.416 )
and bondedto( attr rmsd < 16.597 and attr rmsd > 15.597 ))
( attr rmsd < 0.769 and attr rmsd > 0.669 )
6 6 0 peak 25602 volume 2.44900 ppm1 1.466 ppm2 0.719
assi (( attr rmsd < 1.461 and attr rmsd > 1.361 )
and bondedto( attr rmsd < 18.254 and attr rmsd > 17.254 ))
( attr rmsd < 0.726 and attr rmsd > 0.626 )
6 6 0 peak 25702 volume 3.90480 ppm1 1.411 ppm2 0.676
assi (( attr rmsd < 1.222 and attr rmsd > 1.122 )
and bondedto( attr rmsd < 19.674 and attr rmsd > 18.674 ))
( attr rmsd < 0.556 and attr rmsd > 0.456 )
6 6 0 peak 25772 volume 3.28060 ppm1 1.172 ppm2 0.506
assi (( attr rmsd < 1.226 and attr rmsd > 1.126 )
and bondedto( attr rmsd < 19.674 and attr rmsd > 18.674 ))
( attr rmsd < 0.721 and attr rmsd > 0.621 )
6 6 0 peak 25782 volume 2.11190 ppm1 1.176 ppm2 0.671
assi (( attr rmsd < 1.544 and attr rmsd > 1.444 )
and bondedto( attr rmsd < 19.911 and attr rmsd > 18.911 ))
( attr rmsd < 4.378 and attr rmsd > 4.278 )
6 6 0 peak 25812 volume 4.05120 ppm1 1.494 ppm2 4.328
assi (( attr rmsd < 1.386 and attr rmsd > 1.286 )
and bondedto( attr rmsd < 19.911 and attr rmsd > 18.911 ))
( attr rmsd < 2.175 and attr rmsd > 2.075 )
6 6 0 peak 25832 volume 1.68050 ppm1 1.336 ppm2 2.125
assi (( attr rmsd < 0.769 and attr rmsd > 0.669 )
and bondedto( attr rmsd < 20.621 and attr rmsd > 19.621 ))
( attr rmsd < 4.491 and attr rmsd > 4.391 )
6 6 0 peak 25842 volume 5.78940 ppm1 0.719 ppm2 4.441
assi (( attr rmsd < 0.769 and attr rmsd > 0.669 )
and bondedto( attr rmsd < 20.621 and attr rmsd > 19.621 ))
( attr rmsd < 4.234 and attr rmsd > 4.134 )
6 6 0 peak 25852 volume 2.48040 ppm1 0.719 ppm2 4.184
assi (( attr rmsd < -0.317 and attr rmsd > -0.417 )
and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 ))
( attr rmsd < 0.874 and attr rmsd > 0.774 )
6 6 0 peak 25952 volume 4.90670 ppm1 -0.367 ppm2 0.824
assi (( attr rmsd < 0.494 and attr rmsd > 0.394 )
and bondedto( attr rmsd < 22.041 and attr rmsd > 21.041 ))
( attr rmsd < 7.468 and attr rmsd > 7.368 )
6 6 0 peak 26062 volume 2.55430 ppm1 0.444 ppm2 7.418
assi (( attr rmsd < 0.494 and attr rmsd > 0.394 )
and bondedto( attr rmsd < 22.041 and attr rmsd > 21.041 ))
( attr rmsd < 2.189 and attr rmsd > 2.089 )
6 6 0 peak 26072 volume 4.54610 ppm1 0.444 ppm2 2.139
assi (( attr rmsd < 0.872 and attr rmsd > 0.772 )
and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 ))
( attr rmsd < 3.011 and attr rmsd > 2.911 )
6 6 0 peak 26132 volume 2.95700 ppm1 0.822 ppm2 2.961
assi (( attr rmsd < 0.877 and attr rmsd > 0.777 )
and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 ))
( attr rmsd < 2.834 and attr rmsd > 2.734 )
6 6 0 peak 26142 volume 1.68600 ppm1 0.827 ppm2 2.784
assi (( attr rmsd < 1.169 and attr rmsd > 1.069 )
and bondedto( attr rmsd < 22.515 and attr rmsd > 21.515 ))
( attr rmsd < 7.306 and attr rmsd > 7.206 )
6 6 0 peak 26152 volume 3.35600 ppm1 1.119 ppm2 7.256
assi (( attr rmsd < 1.165 and attr rmsd > 1.065 )
and bondedto( attr rmsd < 22.515 and attr rmsd > 21.515 ))
( attr rmsd < 7.533 and attr rmsd > 7.433 )
6 6 0 peak 26162 volume 2.01470 ppm1 1.115 ppm2 7.483
assi (( attr rmsd < 0.875 and attr rmsd > 0.775 )
and bondedto( attr rmsd < 22.988 and attr rmsd > 21.988 ))
( attr rmsd < 6.66 and attr rmsd > 6.56 )
6 6 0 peak 26202 volume 1.25120 ppm1 0.825 ppm2 6.610
assi (( attr rmsd < 0.789 and attr rmsd > 0.689 )
and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 ))
( attr rmsd < 3.007 and attr rmsd > 2.907 )
6 6 0 peak 26262 volume 4.05440 ppm1 0.739 ppm2 2.957
assi (( attr rmsd < 0.788 and attr rmsd > 0.688 )
and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 ))
( attr rmsd < 2.838 and attr rmsd > 2.738 )
6 6 0 peak 26272 volume 3.57320 ppm1 0.738 ppm2 2.788
assi (( attr rmsd < 0.787 and attr rmsd > 0.687 )
and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 ))
( attr rmsd < 2.087 and attr rmsd > 1.987 )
6 6 0 peak 26282 volume 2.97490 ppm1 0.737 ppm2 2.037
assi (( attr rmsd < 0.616 and attr rmsd > 0.516 )
and bondedto( attr rmsd < 23.935 and attr rmsd > 22.935 ))
( attr rmsd < 7.142 and attr rmsd > 7.042 )
6 6 0 peak 26322 volume 2.01550 ppm1 0.566 ppm2 7.092
assi (( attr rmsd < 0.618 and attr rmsd > 0.518 )
and bondedto( attr rmsd < 23.935 and attr rmsd > 22.935 ))
( attr rmsd < 7.084 and attr rmsd > 6.984 )
6 6 0 peak 26332 volume 2.68520 ppm1 0.568 ppm2 7.034
assi (( attr rmsd < 0.617 and attr rmsd > 0.517 )
and bondedto( attr rmsd < 24.171 and attr rmsd > 23.171 ))
( attr rmsd < 2.646 and attr rmsd > 2.546 )
6 6 0 peak 26352 volume 4.53950 ppm1 0.567 ppm2 2.596
assi (( attr rmsd < 0.631 and attr rmsd > 0.531 )
and bondedto( attr rmsd < 24.645 and attr rmsd > 23.645 ))
( attr rmsd < 3.752 and attr rmsd > 3.652 )
6 6 0 peak 26372 volume 5.06170 ppm1 0.581 ppm2 3.702
assi (( attr rmsd < 1.147 and attr rmsd > 1.047 )
and bondedto( attr rmsd < 24.882 and attr rmsd > 23.882 ))
( attr rmsd < 3.977 and attr rmsd > 3.877 )
6 6 0 peak 26452 volume 0.79610 ppm1 1.097 ppm2 3.927
assi (( attr rmsd < 1.015 and attr rmsd > 0.915 )
and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 ))
( attr rmsd < 7.176 and attr rmsd > 7.076 )
6 6 0 peak 26482 volume 4.46950 ppm1 0.965 ppm2 7.126
assi (( attr rmsd < 1.012 and attr rmsd > 0.912 )
and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 ))
( attr rmsd < 7.433 and attr rmsd > 7.333 )
6 6 0 peak 26492 volume 5.07330 ppm1 0.962 ppm2 7.383
assi (( attr rmsd < 1.021 and attr rmsd > 0.921 )
and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 ))
( attr rmsd < 1.977 and attr rmsd > 1.877 )
6 6 0 peak 26552 volume 10.65130 ppm1 0.971 ppm2 1.927
assi (( attr rmsd < 1.012 and attr rmsd > 0.912 )
and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 ))
( attr rmsd < 0.564 and attr rmsd > 0.464 )
6 6 0 peak 26562 volume 2.80140 ppm1 0.962 ppm2 0.514
assi (( attr rmsd < 1.019 and attr rmsd > 0.919 )
and bondedto( attr rmsd < 25.118 and attr rmsd > 24.118 ))
( attr rmsd < 0.27 and attr rmsd > 0.17 )
6 6 0 peak 26572 volume 3.89330 ppm1 0.969 ppm2 0.220
assi (( attr rmsd < 0.788 and attr rmsd > 0.688 )
and bondedto( attr rmsd < 26.775 and attr rmsd > 25.775 ))
( attr rmsd < 7.264 and attr rmsd > 7.164 )
6 6 0 peak 26662 volume 1.86410 ppm1 0.738 ppm2 7.214
assi (( attr rmsd < 1.621 and attr rmsd > 1.521 )
and bondedto( attr rmsd < 28.432 and attr rmsd > 27.432 ))
( attr rmsd < 4.509 and attr rmsd > 4.409 )
6 6 0 peak 26802 volume 3.98390 ppm1 1.571 ppm2 4.459
assi (( attr rmsd < 1.069 and attr rmsd > 0.969 )
and bondedto( attr rmsd < 31.272 and attr rmsd > 30.272 ))
( attr rmsd < 7.47 and attr rmsd > 7.37 )
6 6 0 peak 26992 volume 1.61900 ppm1 1.019 ppm2 7.420
assi (( attr rmsd < 1.511 and attr rmsd > 1.411 )
and bondedto( attr rmsd < 32.929 and attr rmsd > 31.929 ))
( attr rmsd < 7.441 and attr rmsd > 7.341 )
6 6 0 peak 27102 volume 3.86070 ppm1 1.461 ppm2 7.391
assi (( attr rmsd < 1.781 and attr rmsd > 1.681 )
and bondedto( attr rmsd < 33.639 and attr rmsd > 32.639 ))
( attr rmsd < 7.442 and attr rmsd > 7.342 )
6 6 0 peak 27152 volume 6.96270 ppm1 1.731 ppm2 7.392
assi (( attr rmsd < 1.791 and attr rmsd > 1.691 )
and bondedto( attr rmsd < 33.639 and attr rmsd > 32.639 ))
( attr rmsd < 5.126 and attr rmsd > 5.026 )
6 6 0 peak 27182 volume 2.09730 ppm1 1.741 ppm2 5.076
assi (( attr rmsd < 4.325 and attr rmsd > 4.225 )
and bondedto( attr rmsd < 56.836 and attr rmsd > 55.836 ))
( attr rmsd < 7.518 and attr rmsd > 7.418 )
6 6 0 peak 27242 volume 2.88950 ppm1 4.275 ppm2 7.468
assi (( attr rmsd < 2.422 and attr rmsd > 2.322 )
and bondedto( attr rmsd < 34.586 and attr rmsd > 33.586 ))
( attr rmsd < 0.893 and attr rmsd > 0.793 )
6 6 0 peak 27272 volume 4.90700 ppm1 2.372 ppm2 0.843
assi (( attr rmsd < 2.485 and attr rmsd > 2.385 )
and bondedto( attr rmsd < 35.296 and attr rmsd > 34.296 ))
( attr rmsd < 0.88 and attr rmsd > 0.78 )
6 6 0 peak 27312 volume 4.50790 ppm1 2.435 ppm2 0.830
assi (( attr rmsd < 2.874 and attr rmsd > 2.774 )
and bondedto( attr rmsd < 37.663 and attr rmsd > 36.663 ))
( attr rmsd < 0.95 and attr rmsd > 0.85 )
6 6 0 peak 27442 volume 3.43540 ppm1 2.824 ppm2 0.900
assi (( attr rmsd < 2.716 and attr rmsd > 2.616 )
and bondedto( attr rmsd < 38.137 and attr rmsd > 37.137 ))
( attr rmsd < 0.405 and attr rmsd > 0.305 )
6 6 0 peak 27452 volume 2.85000 ppm1 2.666 ppm2 0.355
assi (( attr rmsd < 2.41 and attr rmsd > 2.31 )
and bondedto( attr rmsd < 41.924 and attr rmsd > 40.924 ))
( attr rmsd < 6.911 and attr rmsd > 6.811 )
6 6 0 peak 27622 volume 2.82240 ppm1 2.360 ppm2 6.861
assi (( attr rmsd < 2.969 and attr rmsd > 2.869 )
and bondedto( attr rmsd < 42.161 and attr rmsd > 41.161 ))
( attr rmsd < 7.527 and attr rmsd > 7.427 )
6 6 0 peak 27632 volume 6.69450 ppm1 2.919 ppm2 7.477
assi (( attr rmsd < 3.212 and attr rmsd > 3.112 )
and bondedto( attr rmsd < 43.581 and attr rmsd > 42.581 ))
( attr rmsd < 7.525 and attr rmsd > 7.425 )
6 6 0 peak 27712 volume 1.99590 ppm1 3.162 ppm2 7.475
assi (( attr rmsd < 5.136 and attr rmsd > 5.036 )
and bondedto( attr rmsd < 50.445 and attr rmsd > 49.445 ))
( attr rmsd < 7.441 and attr rmsd > 7.341 )
6 6 0 peak 27762 volume 3.62450 ppm1 5.086 ppm2 7.391
assi (( attr rmsd < 4.181 and attr rmsd > 4.081 )
and bondedto( attr rmsd < 55.416 and attr rmsd > 54.416 ))
( attr rmsd < 0.615 and attr rmsd > 0.515 )
6 6 0 peak 27862 volume 4.66440 ppm1 4.131 ppm2 0.565
assi (( attr rmsd < 4.144 and attr rmsd > 4.044 )
and bondedto( attr rmsd < 55.416 and attr rmsd > 54.416 ))
( attr rmsd < 3.125 and attr rmsd > 3.025 )
6 6 0 peak 27872 volume 1.92650 ppm1 4.094 ppm2 3.075
assi (( attr rmsd < 3.119 and attr rmsd > 3.019 )
and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 ))
( attr rmsd < 4.145 and attr rmsd > 4.045 )
6 6 0 peak 27942 volume 2.38460 ppm1 3.069 ppm2 4.095
assi (( attr rmsd < 2.872 and attr rmsd > 2.772 )
and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 ))
( attr rmsd < 4.145 and attr rmsd > 4.045 )
6 6 0 peak 27952 volume 2.44570 ppm1 2.822 ppm2 4.095
assi (( attr rmsd < 2.873 and attr rmsd > 2.773 )
and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 ))
( attr rmsd < 3.125 and attr rmsd > 3.025 )
6 6 0 peak 27962 volume 15.82780 ppm1 2.823 ppm2 3.075
assi (( attr rmsd < 3.123 and attr rmsd > 3.023 )
and bondedto( attr rmsd < 32.219 and attr rmsd > 31.219 ))
( attr rmsd < 2.871 and attr rmsd > 2.771 )
6 6 0 peak 27972 volume 16.24160 ppm1 3.073 ppm2 2.821
assi (( attr rmsd < 4.296 and attr rmsd > 4.196 )
and bondedto( attr rmsd < 56.516 and attr rmsd > 55.516 ))
( attr rmsd < 0.87 and attr rmsd > 0.77 )
6 6 0 peak 28082 volume 3.89320 ppm1 4.246 ppm2 0.820
assi (( attr rmsd < 4.16 and attr rmsd > 4.06 )
and bondedto( attr rmsd < 57.783 and attr rmsd > 56.783 ))
( attr rmsd < 1.352 and attr rmsd > 1.252 )
6 6 0 peak 28092 volume 4.68730 ppm1 4.110 ppm2 1.302
assi (( attr rmsd < 4.159 and attr rmsd > 4.059 )
and bondedto( attr rmsd < 58.019 and attr rmsd > 57.019 ))
( attr rmsd < 3.692 and attr rmsd > 3.592 )
6 6 0 peak 28132 volume 1.61920 ppm1 4.109 ppm2 3.642
assi (( attr rmsd < 4.289 and attr rmsd > 4.189 )
and bondedto( attr rmsd < 58.73 and attr rmsd > 57.73 ))
( attr rmsd < 1.005 and attr rmsd > 0.905 )
6 6 0 peak 28162 volume 1.50790 ppm1 4.239 ppm2 0.955
assi (( attr rmsd < 4.289 and attr rmsd > 4.189 )
and bondedto( attr rmsd < 62.757 and attr rmsd > 61.757 ))
( attr rmsd < 1.521 and attr rmsd > 1.421 )
6 6 0 peak 28382 volume 2.58650 ppm1 4.239 ppm2 1.471
assi (( attr rmsd < 4.181 and attr rmsd > 4.081 )
and bondedto( attr rmsd < 123.822 and attr rmsd > 122.822 ))
( attr rmsd < 7.456 and attr rmsd > 7.356 )
6 6 0 peak 28442 volume 2.09340 ppm1 4.131 ppm2 7.406
assi (( attr rmsd < 3.712 and attr rmsd > 3.612 )
and bondedto( attr rmsd < 64.41 and attr rmsd > 63.41 ))
( attr rmsd < 4.052 and attr rmsd > 3.952 )
6 6 0 peak 28512 volume 7.68510 ppm1 3.662 ppm2 4.002
assi (( attr rmsd < 4.491 and attr rmsd > 4.391 )
and bondedto( attr rmsd < 69.144 and attr rmsd > 68.144 ))
( attr rmsd < 0.773 and attr rmsd > 0.673 )
6 6 0 peak 28612 volume 2.38180 ppm1 4.441 ppm2 0.723
assi (( attr rmsd < -0.326 and attr rmsd > -0.426 )
and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 ))
( attr rmsd < 7.754 and attr rmsd > 7.654 )
6 6 0 peak 28622 volume 0.69380 ppm1 -0.376 ppm2 7.704
assi (( attr rmsd < -0.314 and attr rmsd > -0.414 )
and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 ))
( attr rmsd < 3 and attr rmsd > 2.9 )
6 6 0 peak 28632 volume 1.38080 ppm1 -0.364 ppm2 2.950
assi (( attr rmsd < -0.318 and attr rmsd > -0.418 )
and bondedto( attr rmsd < 20.858 and attr rmsd > 19.858 ))
( attr rmsd < 2.563 and attr rmsd > 2.463 )
6 6 0 peak 28642 volume 1.83490 ppm1 -0.368 ppm2 2.513
assi (( attr rmsd < 0.775 and attr rmsd > 0.675 )
and bondedto( attr rmsd < 23.698 and attr rmsd > 22.698 ))
( attr rmsd < 7.751 and attr rmsd > 7.651 )
6 6 0 peak 28652 volume 0.96460 ppm1 0.725 ppm2 7.701
assi (( attr rmsd < 1.78 and attr rmsd > 1.68 )
and bondedto( attr rmsd < 27.75 and attr rmsd > 26.75 ))
( attr rmsd < 7.758 and attr rmsd > 7.658 )
6 6 0 peak 28662 volume 1.51640 ppm1 1.730 ppm2 7.708
assi (( attr rmsd < 1.436 and attr rmsd > 1.336 )
and bondedto( attr rmsd < 43.817 and attr rmsd > 42.817 ))
( attr rmsd < 7.757 and attr rmsd > 7.657 )
6 6 0 peak 28672 volume 1.02510 ppm1 1.386 ppm2 7.707
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Contact the webmaster for help, if required. Saturday, April 27, 2024 12:39:09 AM GMT (wattos1)