NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20590 | 2g46 | 6997 | cing | 1-original | 2 | XPLOR/CNS | peak |
! F3 (1H): 0.03 ppm ! F2 (X): 0.3 ppm ! F1 (1H): 0.03 ppm !The last digit in peak ID is the spectrum number assi (( attr rmsd < 6.99 and attr rmsd > 6.93 ) and bondedto( attr rmsd < 133.265 and attr rmsd > 132.665 )) ( attr rmsd < 0.992 and attr rmsd > 0.932 ) 6 6 0 peak 13 volume 20.13270 ppm1 6.960 ppm2 0.962 assi (( attr rmsd < 7 and attr rmsd > 6.94 ) and bondedto( attr rmsd < 133.3 and attr rmsd > 132.7 )) ( attr rmsd < 2.696 and attr rmsd > 2.636 ) 6 6 0 peak 53 volume 28.55660 ppm1 6.970 ppm2 2.666 assi (( attr rmsd < 6.949 and attr rmsd > 6.889 ) and bondedto( attr rmsd < 118.371 and attr rmsd > 117.771 )) ( attr rmsd < 2.93 and attr rmsd > 2.87 ) 6 6 0 peak 143 volume 7.24770 ppm1 6.919 ppm2 2.900 assi (( attr rmsd < 7.081 and attr rmsd > 7.021 ) and bondedto( attr rmsd < 133.38 and attr rmsd > 132.78 )) ( attr rmsd < 4.921 and attr rmsd > 4.861 ) 6 6 0 peak 173 volume 14.61700 ppm1 7.051 ppm2 4.891 assi (( attr rmsd < 7.28 and attr rmsd > 7.22 ) and bondedto( attr rmsd < 132.859 and attr rmsd > 132.259 )) ( attr rmsd < 2.535 and attr rmsd > 2.475 ) 6 6 0 peak 333 volume 22.07390 ppm1 7.250 ppm2 2.505 assi (( attr rmsd < 7.289 and attr rmsd > 7.229 ) and bondedto( attr rmsd < 130.084 and attr rmsd > 129.484 )) ( attr rmsd < 4.062 and attr rmsd > 4.002 ) 6 6 0 peak 513 volume 10.24460 ppm1 7.259 ppm2 4.032 assi (( attr rmsd < 7.283 and attr rmsd > 7.223 ) and bondedto( attr rmsd < 130.084 and attr rmsd > 129.484 )) ( attr rmsd < 4.243 and attr rmsd > 4.183 ) 6 6 0 peak 523 volume 8.06020 ppm1 7.253 ppm2 4.213 assi (( attr rmsd < 7.301 and attr rmsd > 7.241 ) and bondedto( attr rmsd < 130.084 and attr rmsd > 129.484 )) ( attr rmsd < 3.318 and attr rmsd > 3.258 ) 6 6 0 peak 533 volume 4.26140 ppm1 7.271 ppm2 3.288 assi (( attr rmsd < 7.293 and attr rmsd > 7.233 ) and bondedto( attr rmsd < 130.084 and attr rmsd > 129.484 )) ( attr rmsd < 3.221 and attr rmsd > 3.161 ) 6 6 0 peak 543 volume 10.23320 ppm1 7.263 ppm2 3.191 assi (( attr rmsd < 6.939 and attr rmsd > 6.879 ) and bondedto( attr rmsd < 118.437 and attr rmsd > 117.837 )) ( attr rmsd < 1.412 and attr rmsd > 1.352 ) 6 6 0 peak 583 volume 8.90530 ppm1 6.909 ppm2 1.382 assi (( attr rmsd < 7.26 and attr rmsd > 7.2 ) and bondedto( attr rmsd < 131.993 and attr rmsd > 131.393 )) ( attr rmsd < 7.069 and attr rmsd > 7.009 ) 6 6 0 peak 653 volume 163.54871 ppm1 7.230 ppm2 7.039 assi (( attr rmsd < 7.285 and attr rmsd > 7.225 ) and bondedto( attr rmsd < 130.084 and attr rmsd > 129.484 )) ( attr rmsd < 5.398 and attr rmsd > 5.338 ) 6 6 0 peak 693 volume 5.52580 ppm1 7.255 ppm2 5.368 assi (( attr rmsd < 7.278 and attr rmsd > 7.218 ) and bondedto( attr rmsd < 132.859 and attr rmsd > 132.259 )) ( attr rmsd < 2.155 and attr rmsd > 2.095 ) 6 6 0 peak 743 volume 45.13850 ppm1 7.248 ppm2 2.125 assi (( attr rmsd < 7.263 and attr rmsd > 7.203 ) and bondedto( attr rmsd < 131.78 and attr rmsd > 131.18 )) ( attr rmsd < 3.845 and attr rmsd > 3.785 ) 6 6 0 peak 803 volume 10.21010 ppm1 7.233 ppm2 3.815 assi (( attr rmsd < 7.263 and attr rmsd > 7.203 ) and bondedto( attr rmsd < 131.565 and attr rmsd > 130.965 )) ( attr rmsd < 0.927 and attr rmsd > 0.867 ) 6 6 0 peak 833 volume 49.43460 ppm1 7.233 ppm2 0.897 assi (( attr rmsd < 7.255 and attr rmsd > 7.195 ) and bondedto( attr rmsd < 132.025 and attr rmsd > 131.425 )) ( attr rmsd < 0.494 and attr rmsd > 0.434 ) 6 6 0 peak 843 volume 25.48500 ppm1 7.225 ppm2 0.464 assi (( attr rmsd < 6.939 and attr rmsd > 6.879 ) and bondedto( attr rmsd < 132.025 and attr rmsd > 131.425 )) ( attr rmsd < 1.578 and attr rmsd > 1.518 ) 6 6 0 peak 903 volume 11.83580 ppm1 6.909 ppm2 1.548 assi (( attr rmsd < 6.942 and attr rmsd > 6.882 ) and bondedto( attr rmsd < 118.437 and attr rmsd > 117.837 )) ( attr rmsd < 0.521 and attr rmsd > 0.461 ) 6 6 0 peak 923 volume 6.59910 ppm1 6.912 ppm2 0.491 assi (( attr rmsd < 7.258 and attr rmsd > 7.198 ) and bondedto( attr rmsd < 133.5 and attr rmsd > 132.9 )) ( attr rmsd < 4.867 and attr rmsd > 4.807 ) 6 6 0 peak 953 volume 6.53800 ppm1 7.228 ppm2 4.837 assi (( attr rmsd < 6.674 and attr rmsd > 6.614 ) and bondedto( attr rmsd < 118.221 and attr rmsd > 117.621 )) ( attr rmsd < 0.902 and attr rmsd > 0.842 ) 6 6 0 peak 1013 volume 1.77890 ppm1 6.644 ppm2 0.872 assi (( attr rmsd < 6.684 and attr rmsd > 6.624 ) and bondedto( attr rmsd < 118.41 and attr rmsd > 117.81 )) ( attr rmsd < 1.837 and attr rmsd > 1.777 ) 6 6 0 peak 1033 volume 3.20180 ppm1 6.654 ppm2 1.807 assi (( attr rmsd < 7.266 and attr rmsd > 7.206 ) and bondedto( attr rmsd < 132.887 and attr rmsd > 132.287 )) ( attr rmsd < 3.62 and attr rmsd > 3.56 ) 6 6 0 peak 1073 volume 15.50240 ppm1 7.236 ppm2 3.590 assi (( attr rmsd < 7.268 and attr rmsd > 7.208 ) and bondedto( attr rmsd < 132.887 and attr rmsd > 132.287 )) ( attr rmsd < 3.511 and attr rmsd > 3.451 ) 6 6 0 peak 1083 volume 25.27960 ppm1 7.238 ppm2 3.481 assi (( attr rmsd < 7.517 and attr rmsd > 7.457 ) and bondedto( attr rmsd < 131.78 and attr rmsd > 131.18 )) ( attr rmsd < 0.833 and attr rmsd > 0.773 ) 6 6 0 peak 1163 volume 14.71650 ppm1 7.487 ppm2 0.803 assi (( attr rmsd < 6.949 and attr rmsd > 6.889 ) and bondedto( attr rmsd < 118.437 and attr rmsd > 117.837 )) ( attr rmsd < 0.994 and attr rmsd > 0.934 ) 6 6 0 peak 1203 volume 22.60560 ppm1 6.919 ppm2 0.964 assi (( attr rmsd < 7.512 and attr rmsd > 7.452 ) and bondedto( attr rmsd < 114.52 and attr rmsd > 113.92 )) ( attr rmsd < 1.552 and attr rmsd > 1.492 ) 6 6 0 peak 1353 volume 3.85660 ppm1 7.482 ppm2 1.522 assi (( attr rmsd < 7.262 and attr rmsd > 7.202 ) and bondedto( attr rmsd < 131.565 and attr rmsd > 130.965 )) ( attr rmsd < 0.371 and attr rmsd > 0.311 ) 6 6 0 peak 1433 volume 5.36160 ppm1 7.232 ppm2 0.341 assi (( attr rmsd < 7.289 and attr rmsd > 7.229 ) and bondedto( attr rmsd < 132.08 and attr rmsd > 131.48 )) ( attr rmsd < 1.58 and attr rmsd > 1.52 ) 6 6 0 peak 1443 volume 8.02710 ppm1 7.259 ppm2 1.550 assi (( attr rmsd < 6.885 and attr rmsd > 6.825 ) and bondedto( attr rmsd < 131.593 and attr rmsd > 130.993 )) ( attr rmsd < 0.491 and attr rmsd > 0.431 ) 6 6 0 peak 1473 volume 10.94530 ppm1 6.855 ppm2 0.461 assi (( attr rmsd < 7.522 and attr rmsd > 7.462 ) and bondedto( attr rmsd < 131.78 and attr rmsd > 131.18 )) ( attr rmsd < 3.56 and attr rmsd > 3.5 ) 6 6 0 peak 1553 volume 4.77850 ppm1 7.492 ppm2 3.530 assi (( attr rmsd < 7.621 and attr rmsd > 7.561 ) and bondedto( attr rmsd < 128.358 and attr rmsd > 127.758 )) ( attr rmsd < 3.309 and attr rmsd > 3.249 ) 6 6 0 peak 1603 volume 1.12760 ppm1 7.591 ppm2 3.279 assi (( attr rmsd < 6.671 and attr rmsd > 6.611 ) and bondedto( attr rmsd < 118.221 and attr rmsd > 117.621 )) ( attr rmsd < 1.675 and attr rmsd > 1.615 ) 6 6 0 peak 1623 volume 2.36850 ppm1 6.641 ppm2 1.645 assi (( attr rmsd < 6.915 and attr rmsd > 6.855 ) and bondedto( attr rmsd < 129.221 and attr rmsd > 128.621 )) ( attr rmsd < 3.925 and attr rmsd > 3.865 ) 6 6 0 peak 1633 volume 2.39640 ppm1 6.885 ppm2 3.895 assi (( attr rmsd < 6.877 and attr rmsd > 6.817 ) and bondedto( attr rmsd < 128.142 and attr rmsd > 127.542 )) ( attr rmsd < 0.833 and attr rmsd > 0.773 ) 6 6 0 peak 1653 volume 11.34200 ppm1 6.847 ppm2 0.803 assi (( attr rmsd < 6.883 and attr rmsd > 6.823 ) and bondedto( attr rmsd < 128.142 and attr rmsd > 127.542 )) ( attr rmsd < 0.487 and attr rmsd > 0.427 ) 6 6 0 peak 1663 volume 7.78470 ppm1 6.853 ppm2 0.457 assi (( attr rmsd < 6.883 and attr rmsd > 6.823 ) and bondedto( attr rmsd < 128.142 and attr rmsd > 127.542 )) ( attr rmsd < 0.694 and attr rmsd > 0.634 ) 6 6 0 peak 1673 volume 5.38860 ppm1 6.853 ppm2 0.664 assi (( attr rmsd < 7.289 and attr rmsd > 7.229 ) and bondedto( attr rmsd < 132.025 and attr rmsd > 131.425 )) ( attr rmsd < 1.49 and attr rmsd > 1.43 ) 6 6 0 peak 1713 volume 12.03400 ppm1 7.259 ppm2 1.460 assi (( attr rmsd < 7.379 and attr rmsd > 7.319 ) and bondedto( attr rmsd < 129.408 and attr rmsd > 128.808 )) ( attr rmsd < 7.523 and attr rmsd > 7.463 ) 6 6 0 peak 1733 volume 21.22920 ppm1 7.349 ppm2 7.493 assi (( attr rmsd < 8.092 and attr rmsd > 8.032 ) and bondedto( attr rmsd < 138.25 and attr rmsd > 137.65 )) ( attr rmsd < 2.954 and attr rmsd > 2.894 ) 6 6 0 peak 1753 volume 5.09110 ppm1 8.062 ppm2 2.924 assi (( attr rmsd < 8.099 and attr rmsd > 8.039 ) and bondedto( attr rmsd < 138.25 and attr rmsd > 137.65 )) ( attr rmsd < 2.828 and attr rmsd > 2.768 ) 6 6 0 peak 1763 volume 1.86100 ppm1 8.069 ppm2 2.798 assi (( attr rmsd < 7.588 and attr rmsd > 7.528 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 7.269 and attr rmsd > 7.209 ) 6 6 0 peak 1773 volume 12.53520 ppm1 7.558 ppm2 7.239 assi (( attr rmsd < 7.586 and attr rmsd > 7.526 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 6.524 and attr rmsd > 6.464 ) 6 6 0 peak 1793 volume 6.71680 ppm1 7.556 ppm2 6.494 assi (( attr rmsd < 6.937 and attr rmsd > 6.877 ) and bondedto( attr rmsd < 118.411 and attr rmsd > 117.811 )) ( attr rmsd < 0.388 and attr rmsd > 0.328 ) 6 6 0 peak 1833 volume 1.47220 ppm1 6.907 ppm2 0.358 assi (( attr rmsd < 6.942 and attr rmsd > 6.882 ) and bondedto( attr rmsd < 118.411 and attr rmsd > 117.811 )) ( attr rmsd < 0.611 and attr rmsd > 0.551 ) 6 6 0 peak 1843 volume 2.77030 ppm1 6.912 ppm2 0.581 assi (( attr rmsd < 6.946 and attr rmsd > 6.886 ) and bondedto( attr rmsd < 118.411 and attr rmsd > 117.811 )) ( attr rmsd < 1.716 and attr rmsd > 1.656 ) 6 6 0 peak 1853 volume 15.84630 ppm1 6.916 ppm2 1.686 assi (( attr rmsd < 6.94 and attr rmsd > 6.88 ) and bondedto( attr rmsd < 118.411 and attr rmsd > 117.811 )) ( attr rmsd < 1.585 and attr rmsd > 1.525 ) 6 6 0 peak 1863 volume 5.39270 ppm1 6.910 ppm2 1.555 assi (( attr rmsd < 6.998 and attr rmsd > 6.938 ) and bondedto( attr rmsd < 120.351 and attr rmsd > 119.751 )) ( attr rmsd < 7.268 and attr rmsd > 7.208 ) 6 6 0 peak 1873 volume 19.66250 ppm1 6.968 ppm2 7.238 assi (( attr rmsd < 7.134 and attr rmsd > 7.074 ) and bondedto( attr rmsd < 120.351 and attr rmsd > 119.751 )) ( attr rmsd < 6.208 and attr rmsd > 6.148 ) 6 6 0 peak 1883 volume 7.85810 ppm1 7.104 ppm2 6.178 assi (( attr rmsd < 7.006 and attr rmsd > 6.946 ) and bondedto( attr rmsd < 120.351 and attr rmsd > 119.751 )) ( attr rmsd < 3.925 and attr rmsd > 3.865 ) 6 6 0 peak 1893 volume 1.55420 ppm1 6.976 ppm2 3.895 assi (( attr rmsd < 7.008 and attr rmsd > 6.948 ) and bondedto( attr rmsd < 120.351 and attr rmsd > 119.751 )) ( attr rmsd < 4.859 and attr rmsd > 4.799 ) 6 6 0 peak 1903 volume 1.35520 ppm1 6.978 ppm2 4.829 assi (( attr rmsd < 6.999 and attr rmsd > 6.939 ) and bondedto( attr rmsd < 120.351 and attr rmsd > 119.751 )) ( attr rmsd < 1.486 and attr rmsd > 1.426 ) 6 6 0 peak 1913 volume 1.92020 ppm1 6.969 ppm2 1.456 assi (( attr rmsd < 7.134 and attr rmsd > 7.074 ) and bondedto( attr rmsd < 120.351 and attr rmsd > 119.751 )) ( attr rmsd < 0.918 and attr rmsd > 0.858 ) 6 6 0 peak 1923 volume 2.43370 ppm1 7.104 ppm2 0.888 assi (( attr rmsd < 6.906 and attr rmsd > 6.846 ) and bondedto( attr rmsd < 124.449 and attr rmsd > 123.849 )) ( attr rmsd < 2.236 and attr rmsd > 2.176 ) 6 6 0 peak 1953 volume 3.09270 ppm1 6.876 ppm2 2.206 assi (( attr rmsd < 6.894 and attr rmsd > 6.834 ) and bondedto( attr rmsd < 124.449 and attr rmsd > 123.849 )) ( attr rmsd < 1.259 and attr rmsd > 1.199 ) 6 6 0 peak 1963 volume 2.97370 ppm1 6.864 ppm2 1.229 assi (( attr rmsd < 6.894 and attr rmsd > 6.834 ) and bondedto( attr rmsd < 124.449 and attr rmsd > 123.849 )) ( attr rmsd < 0.763 and attr rmsd > 0.703 ) 6 6 0 peak 1973 volume 1.00580 ppm1 6.864 ppm2 0.733 assi (( attr rmsd < 7.281 and attr rmsd > 7.221 ) and bondedto( attr rmsd < 125.096 and attr rmsd > 124.496 )) ( attr rmsd < 7.496 and attr rmsd > 7.436 ) 6 6 0 peak 1983 volume 4.87480 ppm1 7.251 ppm2 7.466 assi (( attr rmsd < 7.286 and attr rmsd > 7.226 ) and bondedto( attr rmsd < 127.468 and attr rmsd > 126.868 )) ( attr rmsd < 7.163 and attr rmsd > 7.103 ) 6 6 0 peak 2003 volume 9.52520 ppm1 7.256 ppm2 7.133 assi (( attr rmsd < 6.88 and attr rmsd > 6.82 ) and bondedto( attr rmsd < 128.114 and attr rmsd > 127.514 )) ( attr rmsd < 7.595 and attr rmsd > 7.535 ) 6 6 0 peak 2013 volume 2.00090 ppm1 6.850 ppm2 7.565 assi (( attr rmsd < 7.389 and attr rmsd > 7.329 ) and bondedto( attr rmsd < 129.408 and attr rmsd > 128.808 )) ( attr rmsd < 3.572 and attr rmsd > 3.512 ) 6 6 0 peak 2033 volume 3.98770 ppm1 7.359 ppm2 3.542 assi (( attr rmsd < 6.908 and attr rmsd > 6.848 ) and bondedto( attr rmsd < 124.449 and attr rmsd > 123.849 )) ( attr rmsd < 8.295 and attr rmsd > 8.235 ) 6 6 0 peak 2143 volume 0.91300 ppm1 6.878 ppm2 8.265 assi (( attr rmsd < 7.087 and attr rmsd > 7.027 ) and bondedto( attr rmsd < 129.84 and attr rmsd > 129.24 )) ( attr rmsd < 7.273 and attr rmsd > 7.213 ) 6 6 0 peak 2153 volume 8.83500 ppm1 7.057 ppm2 7.243 assi (( attr rmsd < 7.382 and attr rmsd > 7.322 ) and bondedto( attr rmsd < 129.408 and attr rmsd > 128.808 )) ( attr rmsd < 0.475 and attr rmsd > 0.415 ) 6 6 0 peak 2173 volume 3.64550 ppm1 7.352 ppm2 0.445 assi (( attr rmsd < 7.686 and attr rmsd > 7.626 ) and bondedto( attr rmsd < 128.114 and attr rmsd > 127.514 )) ( attr rmsd < 4.465 and attr rmsd > 4.405 ) 6 6 0 peak 2183 volume 9.91690 ppm1 7.656 ppm2 4.435 assi (( attr rmsd < 7.627 and attr rmsd > 7.567 ) and bondedto( attr rmsd < 121.214 and attr rmsd > 120.614 )) ( attr rmsd < 1.74 and attr rmsd > 1.68 ) 6 6 0 peak 2253 volume 1.38330 ppm1 7.597 ppm2 1.710 assi (( attr rmsd < 7.187 and attr rmsd > 7.127 ) and bondedto( attr rmsd < 122.508 and attr rmsd > 121.908 )) ( attr rmsd < 1.735 and attr rmsd > 1.675 ) 6 6 0 peak 2263 volume 1.28510 ppm1 7.157 ppm2 1.705 assi (( attr rmsd < 7.277 and attr rmsd > 7.217 ) and bondedto( attr rmsd < 125.096 and attr rmsd > 124.496 )) ( attr rmsd < 6.057 and attr rmsd > 5.997 ) 6 6 0 peak 2273 volume 1.84590 ppm1 7.247 ppm2 6.027 assi (( attr rmsd < 7.259 and attr rmsd > 7.199 ) and bondedto( attr rmsd < 133.506 and attr rmsd > 132.906 )) ( attr rmsd < 4.099 and attr rmsd > 4.039 ) 6 6 0 peak 2323 volume 5.07550 ppm1 7.229 ppm2 4.069 assi (( attr rmsd < 6.903 and attr rmsd > 6.843 ) and bondedto( attr rmsd < 129.193 and attr rmsd > 128.593 )) ( attr rmsd < 2.54 and attr rmsd > 2.48 ) 6 6 0 peak 2333 volume 2.21750 ppm1 6.873 ppm2 2.510 assi (( attr rmsd < 6.97 and attr rmsd > 6.91 ) and bondedto( attr rmsd < 118.626 and attr rmsd > 118.026 )) ( attr rmsd < 7.232 and attr rmsd > 7.172 ) 6 6 0 peak 2353 volume 15.51750 ppm1 6.940 ppm2 7.202 assi (( attr rmsd < 6.97 and attr rmsd > 6.91 ) and bondedto( attr rmsd < 118.626 and attr rmsd > 118.026 )) ( attr rmsd < 4.866 and attr rmsd > 4.806 ) 6 6 0 peak 2363 volume 4.85070 ppm1 6.940 ppm2 4.836 assi (( attr rmsd < 7.28 and attr rmsd > 7.22 ) and bondedto( attr rmsd < 132.859 and attr rmsd > 132.259 )) ( attr rmsd < 4.58 and attr rmsd > 4.52 ) 6 6 0 peak 2373 volume 5.79330 ppm1 7.250 ppm2 4.550 assi (( attr rmsd < 7.519 and attr rmsd > 7.459 ) and bondedto( attr rmsd < 131.78 and attr rmsd > 131.18 )) ( attr rmsd < 2.501 and attr rmsd > 2.441 ) 6 6 0 peak 2403 volume 4.19280 ppm1 7.489 ppm2 2.471 assi (( attr rmsd < 7.521 and attr rmsd > 7.461 ) and bondedto( attr rmsd < 131.78 and attr rmsd > 131.18 )) ( attr rmsd < 1.488 and attr rmsd > 1.428 ) 6 6 0 peak 2423 volume 6.17270 ppm1 7.491 ppm2 1.458 assi (( attr rmsd < 7.286 and attr rmsd > 7.226 ) and bondedto( attr rmsd < 131.565 and attr rmsd > 130.965 )) ( attr rmsd < 5.39 and attr rmsd > 5.33 ) 6 6 0 peak 2433 volume 5.04840 ppm1 7.256 ppm2 5.360 assi (( attr rmsd < 7.272 and attr rmsd > 7.212 ) and bondedto( attr rmsd < 131.565 and attr rmsd > 130.965 )) ( attr rmsd < 4.227 and attr rmsd > 4.167 ) 6 6 0 peak 2443 volume 2.73490 ppm1 7.242 ppm2 4.197 assi (( attr rmsd < 7.581 and attr rmsd > 7.521 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 3.132 and attr rmsd > 3.072 ) 6 6 0 peak 2463 volume 5.23330 ppm1 7.551 ppm2 3.102 assi (( attr rmsd < 7.003 and attr rmsd > 6.943 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 1.496 and attr rmsd > 1.436 ) 6 6 0 peak 2473 volume 2.27170 ppm1 6.973 ppm2 1.466 assi (( attr rmsd < 6.968 and attr rmsd > 6.908 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 1.823 and attr rmsd > 1.763 ) 6 6 0 peak 2493 volume 2.03660 ppm1 6.938 ppm2 1.793 assi (( attr rmsd < 7.254 and attr rmsd > 7.194 ) and bondedto( attr rmsd < 133.506 and attr rmsd > 132.906 )) ( attr rmsd < 1.48 and attr rmsd > 1.42 ) 6 6 0 peak 2503 volume 6.60420 ppm1 7.224 ppm2 1.450 assi (( attr rmsd < 6.88 and attr rmsd > 6.82 ) and bondedto( attr rmsd < 131.565 and attr rmsd > 130.965 )) ( attr rmsd < 2.279 and attr rmsd > 2.219 ) 6 6 0 peak 2523 volume 4.21370 ppm1 6.850 ppm2 2.249 assi (( attr rmsd < 7.593 and attr rmsd > 7.533 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 1.414 and attr rmsd > 1.354 ) 6 6 0 peak 2533 volume 4.48860 ppm1 7.563 ppm2 1.384 assi (( attr rmsd < 7.006 and attr rmsd > 6.946 ) and bondedto( attr rmsd < 120.351 and attr rmsd > 119.751 )) ( attr rmsd < 1.76 and attr rmsd > 1.7 ) 6 6 0 peak 2543 volume 2.58670 ppm1 6.976 ppm2 1.730 assi (( attr rmsd < 6.676 and attr rmsd > 6.616 ) and bondedto( attr rmsd < 118.195 and attr rmsd > 117.595 )) ( attr rmsd < 8.478 and attr rmsd > 8.418 ) 6 6 0 peak 2563 volume 2.08680 ppm1 6.646 ppm2 8.448 assi (( attr rmsd < 7.598 and attr rmsd > 7.538 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 4.417 and attr rmsd > 4.357 ) 6 6 0 peak 2573 volume 1.65950 ppm1 7.568 ppm2 4.387 assi (( attr rmsd < 7.619 and attr rmsd > 7.559 ) and bondedto( attr rmsd < 133.29 and attr rmsd > 132.69 )) ( attr rmsd < 1.815 and attr rmsd > 1.755 ) 6 6 0 peak 2583 volume 7.11560 ppm1 7.589 ppm2 1.785 assi (( attr rmsd < 7.628 and attr rmsd > 7.568 ) and bondedto( attr rmsd < 121.214 and attr rmsd > 120.614 )) ( attr rmsd < 3.055 and attr rmsd > 2.995 ) 6 6 0 peak 2593 volume 1.31290 ppm1 7.598 ppm2 3.025 assi (( attr rmsd < 7.28 and attr rmsd > 7.22 ) and bondedto( attr rmsd < 132.859 and attr rmsd > 132.259 )) ( attr rmsd < 4.468 and attr rmsd > 4.408 ) 6 6 0 peak 2623 volume 5.23670 ppm1 7.250 ppm2 4.438 assi (( attr rmsd < 7.094 and attr rmsd > 7.034 ) and bondedto( attr rmsd < 130.055 and attr rmsd > 129.455 )) ( attr rmsd < 1.596 and attr rmsd > 1.536 ) 6 6 0 peak 2633 volume 4.68430 ppm1 7.064 ppm2 1.566 assi (( attr rmsd < 7.091 and attr rmsd > 7.031 ) and bondedto( attr rmsd < 130.055 and attr rmsd > 129.455 )) ( attr rmsd < 0.475 and attr rmsd > 0.415 ) 6 6 0 peak 2643 volume 4.39440 ppm1 7.061 ppm2 0.445 assi (( attr rmsd < 7.091 and attr rmsd > 7.031 ) and bondedto( attr rmsd < 130.055 and attr rmsd > 129.455 )) ( attr rmsd < 1.679 and attr rmsd > 1.619 ) 6 6 0 peak 2653 volume 5.80320 ppm1 7.061 ppm2 1.649 assi (( attr rmsd < 6.919 and attr rmsd > 6.859 ) and bondedto( attr rmsd < 129.193 and attr rmsd > 128.593 )) ( attr rmsd < 3.497 and attr rmsd > 3.437 ) 6 6 0 peak 2663 volume 2.96200 ppm1 6.889 ppm2 3.467 assi (( attr rmsd < 7.32 and attr rmsd > 7.26 ) and bondedto( attr rmsd < 132.643 and attr rmsd > 132.043 )) ( attr rmsd < 1.006 and attr rmsd > 0.946 ) 6 6 0 peak 2673 volume 9.38810 ppm1 7.290 ppm2 0.976 assi (( attr rmsd < 7.325 and attr rmsd > 7.265 ) and bondedto( attr rmsd < 132.643 and attr rmsd > 132.043 )) ( attr rmsd < 1.227 and attr rmsd > 1.167 ) 6 6 0 peak 2703 volume 9.02880 ppm1 7.295 ppm2 1.197
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