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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