NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9483 | 1nzp | 5766 | cing | recoord | 1-original | 5 | XPLOR/CNS | peak |
! ############### C13_CNnoesy_manual.0 folded + assi (attr store1 < 3.51 and attr store1 > 3.41 ) ((attr store1 < 3.493 and attr store1 > 3.433 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 0 volume 6.69648 ppm1 3.463 ppm2 3.460 ! ############### C13_CNnoesy_manual.1 folded + assi (attr store1 < 3.393 and attr store1 > 3.293 ) ((attr store1 < 3.423 and attr store1 > 3.363 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 1 volume 8.06556 ppm1 3.393 ppm2 3.343 ! ############### C13_CNnoesy_manual.2 folded + assi (attr store1 < 3.409 and attr store1 > 3.309 ) ((attr store1 < 3.399 and attr store1 > 3.339 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 2 volume 18.18418 ppm1 3.369 ppm2 3.359 ! ############### C13_CNnoesy_manual.3 folded + assi (attr store1 < 2.658 and attr store1 > 2.558 ) ((attr store1 < 3.162 and attr store1 > 3.102 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 3 volume 5.96099 ppm1 3.132 ppm2 2.608 ! ############### C13_CNnoesy_manual.4 folded + assi (attr store1 < 3.645 and attr store1 > 3.545 ) ((attr store1 < 3.068 and attr store1 > 3.008 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 4 volume 9.51944 ppm1 3.038 ppm2 3.595 ! ############### C13_CNnoesy_manual.5 folded + assi (attr store1 < 3.097 and attr store1 > 2.997 ) ((attr store1 < 3.071 and attr store1 > 3.011 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 5 volume 64.98389 ppm1 3.041 ppm2 3.047 ! ############### C13_CNnoesy_manual.6 folded + assi (attr store1 < 2.71 and attr store1 > 2.61 ) ((attr store1 < 3.063 and attr store1 > 3.003 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 6 volume 64.20000 ppm1 3.033 ppm2 2.660 ! ############### C13_CNnoesy_manual.7 folded + assi (attr store1 < 2.293 and attr store1 > 2.193 ) ((attr store1 < 3.046 and attr store1 > 2.986 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 7 volume 22.16007 ppm1 3.016 ppm2 2.243 ! ############### C13_CNnoesy_manual.8 folded + assi (attr store1 < 2.948 and attr store1 > 2.848 ) ((attr store1 < 2.938 and attr store1 > 2.878 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 8 volume 25.68525 ppm1 2.908 ppm2 2.898 ! ############### C13_CNnoesy_manual.9 folded + assi (attr store1 < 2.882 and attr store1 > 2.782 ) ((attr store1 < 2.861 and attr store1 > 2.801 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 9 volume 21.99326 ppm1 2.831 ppm2 2.832 ! ############### C13_CNnoesy_manual.10 folded + assi (attr store1 < 2.877 and attr store1 > 2.777 ) ((attr store1 < 2.809 and attr store1 > 2.749 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 10 volume 19.89220 ppm1 2.779 ppm2 2.827 ! ############### C13_CNnoesy_manual.11 folded + assi (attr store1 < 3.11 and attr store1 > 3.01 ) ((attr store1 < 2.793 and attr store1 > 2.733 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 11 volume 5.72685 ppm1 2.763 ppm2 3.060 ! ############### C13_CNnoesy_manual.12 folded + assi (attr store1 < 4.551 and attr store1 > 4.451 ) ((attr store1 < 2.692 and attr store1 > 2.632 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 12 volume 12.50294 ppm1 2.662 ppm2 4.501 ! ############### C13_CNnoesy_manual.13 folded + assi (attr store1 < 3.086 and attr store1 > 2.986 ) ((attr store1 < 2.69 and attr store1 > 2.63 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 13 volume 64.51051 ppm1 2.660 ppm2 3.036 ! ############### C13_CNnoesy_manual.14 folded + assi (attr store1 < 2.708 and attr store1 > 2.608 ) ((attr store1 < 2.69 and attr store1 > 2.63 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 14 volume 71.55047 ppm1 2.660 ppm2 2.658 ! ############### C13_CNnoesy_manual.15 folded + assi (attr store1 < 2.645 and attr store1 > 2.545 ) ((attr store1 < 2.627 and attr store1 > 2.567 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 15 volume 16.24276 ppm1 2.597 ppm2 2.595 ! ############### C13_CNnoesy_manual.16 folded + assi (attr store1 < 4.24 and attr store1 > 4.14 ) ((attr store1 < 1.729 and attr store1 > 1.669 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 16 volume 27.99918 ppm1 1.699 ppm2 4.190 ! ############### C13_CNnoesy_manual.17 folded + assi (attr store1 < 3.699 and attr store1 > 3.599 ) ((attr store1 < 1.728 and attr store1 > 1.668 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 17 volume 28.06384 ppm1 1.698 ppm2 3.649 ! ############### C13_CNnoesy_manual.18 folded + assi (attr store1 < 1.382 and attr store1 > 1.282 ) ((attr store1 < 1.726 and attr store1 > 1.666 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 18 volume 93.04764 ppm1 1.696 ppm2 1.332 ! ############### C13_CNnoesy_manual.19 folded + assi (attr store1 < 0.877 and attr store1 > 0.777 ) ((attr store1 < 1.727 and attr store1 > 1.667 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 19 volume 16.65111 ppm1 1.697 ppm2 0.827 ! ############### C13_CNnoesy_manual.20 folded + assi (attr store1 < 0.363 and attr store1 > 0.263 ) ((attr store1 < 1.729 and attr store1 > 1.669 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 20 volume 13.78725 ppm1 1.699 ppm2 0.313 ! ############### C13_CNnoesy_manual.21 folded + assi (attr store1 < 1.727 and attr store1 > 1.627 ) ((attr store1 < 1.695 and attr store1 > 1.635 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 21 volume 73.73898 ppm1 1.665 ppm2 1.677 ! ############### C13_CNnoesy_manual.22 folded + assi (attr store1 < 3.059 and attr store1 > 2.959 ) ((attr store1 < 1.372 and attr store1 > 1.312 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 22 volume 16.12732 ppm1 1.342 ppm2 3.009 ! ############### C13_CNnoesy_manual.23 folded + assi (attr store1 < 3.706 and attr store1 > 3.606 ) ((attr store1 < 1.362 and attr store1 > 1.302 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 23 volume 20.13418 ppm1 1.332 ppm2 3.656 ! ############### C13_CNnoesy_manual.24 folded + assi (attr store1 < 1.75 and attr store1 > 1.65 ) ((attr store1 < 1.362 and attr store1 > 1.302 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 24 volume 96.09860 ppm1 1.332 ppm2 1.700 ! ############### C13_CNnoesy_manual.25 folded + assi (attr store1 < 1.398 and attr store1 > 1.298 ) ((attr store1 < 1.362 and attr store1 > 1.302 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 25 volume 194.98044 ppm1 1.332 ppm2 1.348 ! ############### C13_CNnoesy_manual.26 folded + assi (attr store1 < 0.876 and attr store1 > 0.776 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 26 volume 20.10108 ppm1 1.334 ppm2 0.826 ! ############### C13_CNnoesy_manual.27 folded + assi (attr store1 < 0.352 and attr store1 > 0.252 ) ((attr store1 < 1.361 and attr store1 > 1.301 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 27 volume 15.62638 ppm1 1.331 ppm2 0.302 ! ############### C13_CNnoesy_manual.28 folded + assi (attr store1 < 1.041 and attr store1 > 0.941 ) ((attr store1 < 1.029 and attr store1 > 0.969 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 28 volume 165.81053 ppm1 0.999 ppm2 0.991 ! ############### C13_CNnoesy_manual.29 folded + assi (attr store1 < 1.005 and attr store1 > 0.905 ) ((attr store1 < 0.987 and attr store1 > 0.927 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 29 volume 94.47338 ppm1 0.957 ppm2 0.955 ! ############### C13_CNnoesy_manual.30 folded + assi (attr store1 < 0.865 and attr store1 > 0.765 ) ((attr store1 < 0.864 and attr store1 > 0.804 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 30 volume 26.92943 ppm1 0.834 ppm2 0.815 ! ############### C13_CNnoesy_manual.31 folded + assi (attr store1 < 0.945 and attr store1 > 0.845 ) ((attr store1 < 0.825 and attr store1 > 0.765 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 31 volume 31.39035 ppm1 0.795 ppm2 0.895 ! ############### C13_CNnoesy_manual.32 folded + assi (attr store1 < 0.842 and attr store1 > 0.742 ) ((attr store1 < 0.819 and attr store1 > 0.759 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 32 volume 85.98132 ppm1 0.789 ppm2 0.792 ! ############### C13_CNnoesy_manual.33 folded + assi (attr store1 < 0.144 and attr store1 > 0.044 ) ((attr store1 < 0.121 and attr store1 > 0.061 ) and (bondedto (attr store1 < 127.109722631 and attr store1 > 126.309722631 ) or bondedto (attr store1 < 79.367 and attr store1 > 78.567 ) or bondedto (attr store1 < 31.6242773688 and attr store1 > 30.8242773688 ))) 6 0.1 0.1 peak 33 volume 33.20530 ppm1 0.091 ppm2 0.094 ! ############### C13_CNnoesy_manual.34 folded - assi (attr store1 < 8.392 and attr store1 > 8.292 ) ((attr store1 < 4.465 and attr store1 > 4.405 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 34 volume 8.86312 ppm1 4.435 ppm2 8.342 ! ############### C13_CNnoesy_manual.35 folded - assi (attr store1 < 1.732 and attr store1 > 1.632 ) ((attr store1 < 4.463 and attr store1 > 4.403 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 35 volume 63.14117 ppm1 4.433 ppm2 1.682 ! ############### C13_CNnoesy_manual.36 folded - assi (attr store1 < 1.007 and attr store1 > 0.907 ) ((attr store1 < 4.463 and attr store1 > 4.403 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 36 volume 59.77304 ppm1 4.433 ppm2 0.957 ! ############### C13_CNnoesy_manual.37 folded - assi (attr store1 < 8.735 and attr store1 > 8.635 ) ((attr store1 < 4.081 and attr store1 > 4.021 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 37 volume 8.84848 ppm1 4.051 ppm2 8.685 ! ############### C13_CNnoesy_manual.38 folded - assi (attr store1 < 8.462 and attr store1 > 8.362 ) ((attr store1 < 4.081 and attr store1 > 4.021 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 38 volume 7.94928 ppm1 4.051 ppm2 8.412 ! ############### C13_CNnoesy_manual.39 folded - assi (attr store1 < 8.069 and attr store1 > 7.969 ) ((attr store1 < 4.085 and attr store1 > 4.025 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 39 volume 19.12857 ppm1 4.055 ppm2 8.019 ! ############### C13_CNnoesy_manual.40 folded - assi (attr store1 < 7.787 and attr store1 > 7.687 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 40 volume 34.26219 ppm1 4.056 ppm2 7.737 ! ############### C13_CNnoesy_manual.41 folded - assi (attr store1 < 4.103 and attr store1 > 4.003 ) ((attr store1 < 4.085 and attr store1 > 4.025 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 41 volume 587.19708 ppm1 4.055 ppm2 4.053 ! ############### C13_CNnoesy_manual.42 folded - assi (attr store1 < 1.589 and attr store1 > 1.489 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 42 volume 150.6442 ppm1 4.056 ppm2 1.539 ! ############### C13_CNnoesy_manual.43 folded - assi (attr store1 < 1.402 and attr store1 > 1.302 ) ((attr store1 < 4.084 and attr store1 > 4.024 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 43 volume 14.83608 ppm1 4.054 ppm2 1.352 ! ############### C13_CNnoesy_manual.44 folded - assi (attr store1 < 0.958 and attr store1 > 0.858 ) ((attr store1 < 4.081 and attr store1 > 4.021 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 44 volume 23.297 ppm1 4.051 ppm2 0.908 ! ############### C13_CNnoesy_manual.45 folded - assi (attr store1 < 0.802 and attr store1 > 0.702 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 45 volume 53.46571 ppm1 4.056 ppm2 0.752 ! ############### C13_CNnoesy_manual.46 folded - assi (attr store1 < 1.753 and attr store1 > 1.653 ) ((attr store1 < 4.078 and attr store1 > 4.018 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 46 volume 6.60709 ppm1 4.048 ppm2 1.703 ! ############### C13_CNnoesy_manual.47 folded - assi (attr store1 < 3.841 and attr store1 > 3.741 ) ((attr store1 < 3.926 and attr store1 > 3.866 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 47 volume 20.06564 ppm1 3.896 ppm2 3.791 ! ############### C13_CNnoesy_manual.48 folded - assi (attr store1 < 8.201 and attr store1 > 8.101 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 48 volume 16.13813 ppm1 3.818 ppm2 8.151 ! ############### C13_CNnoesy_manual.49 folded - assi (attr store1 < 7.885 and attr store1 > 7.785 ) ((attr store1 < 3.852 and attr store1 > 3.792 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 49 volume 6.52217 ppm1 3.822 ppm2 7.835 ! ############### C13_CNnoesy_manual.50 folded - assi (attr store1 < 3.869 and attr store1 > 3.769 ) ((attr store1 < 3.849 and attr store1 > 3.789 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 50 volume 333.84317 ppm1 3.819 ppm2 3.819 ! ############### C13_CNnoesy_manual.51 folded - assi (attr store1 < 1.624 and attr store1 > 1.524 ) ((attr store1 < 3.849 and attr store1 > 3.789 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 51 volume 16.92715 ppm1 3.819 ppm2 1.574 ! ############### C13_CNnoesy_manual.52 folded - assi (attr store1 < 1.428 and attr store1 > 1.328 ) ((attr store1 < 3.847 and attr store1 > 3.787 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 52 volume 60.03887 ppm1 3.817 ppm2 1.378 ! ############### C13_CNnoesy_manual.53 folded - assi (attr store1 < 0.931 and attr store1 > 0.831 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 53 volume 31.22588 ppm1 3.818 ppm2 0.881 ! ############### C13_CNnoesy_manual.54 folded - assi (attr store1 < 0.136 and attr store1 > 0.036 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 54 volume 31.70898 ppm1 3.818 ppm2 0.086 ! ############### C13_CNnoesy_manual.55 folded - assi (attr store1 < 3.403 and attr store1 > 3.303 ) ((attr store1 < 3.383 and attr store1 > 3.323 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 55 volume 30.17223 ppm1 3.353 ppm2 3.353 ! ############### C13_CNnoesy_manual.56 folded - assi (attr store1 < 3.44 and attr store1 > 3.34 ) ((attr store1 < 3.345 and attr store1 > 3.285 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 56 volume 5.65189 ppm1 3.315 ppm2 3.390 ! ############### C13_CNnoesy_manual.57 folded - assi (attr store1 < 2.874 and attr store1 > 2.774 ) ((attr store1 < 2.833 and attr store1 > 2.773 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 57 volume 10.5884 ppm1 2.803 ppm2 2.824 ! ############### C13_CNnoesy_manual.58 folded - assi (attr store1 < 1.177 and attr store1 > 1.077 ) ((attr store1 < 1.144 and attr store1 > 1.084 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 58 volume 66.07497 ppm1 1.114 ppm2 1.127 ! ############### C13_CNnoesy_manual.59 folded + assi (attr store1 < 3.283 and attr store1 > 3.183 ) ((attr store1 < 3.271 and attr store1 > 3.211 ) and (bondedto (attr store1 < 126.906722631 and attr store1 > 126.106722631 ) or bondedto (attr store1 < 79.164 and attr store1 > 78.364 ) or bondedto (attr store1 < 31.4212773688 and attr store1 > 30.6212773688 ))) 6 0.1 0.1 peak 59 volume 1113.78149 ppm1 3.241 ppm2 3.233 ! ############### C13_CNnoesy_manual.60 folded + assi (attr store1 < 2.631 and attr store1 > 2.531 ) ((attr store1 < 1.949 and attr store1 > 1.889 ) and (bondedto (attr store1 < 126.886722631 and attr store1 > 126.086722631 ) or bondedto (attr store1 < 79.144 and attr store1 > 78.344 ) or bondedto (attr store1 < 31.4012773688 and attr store1 > 30.6012773688 ))) 6 0.1 0.1 peak 60 volume 17.07629 ppm1 1.919 ppm2 2.581 ! ############### C13_CNnoesy_manual.61 folded + assi (attr store1 < 1.947 and attr store1 > 1.847 ) ((attr store1 < 1.951 and attr store1 > 1.891 ) and (bondedto (attr store1 < 126.902722631 and attr store1 > 126.102722631 ) or bondedto (attr store1 < 79.16 and attr store1 > 78.36 ) or bondedto (attr store1 < 31.4172773688 and attr store1 > 30.6172773688 ))) 6 0.1 0.1 peak 61 volume 911.56842 ppm1 1.921 ppm2 1.897 ! ############### C13_CNnoesy_manual.62 folded + assi (attr store1 < 1.95 and attr store1 > 1.85 ) ((attr store1 < 1.925 and attr store1 > 1.865 ) and (bondedto (attr store1 < 126.899722631 and attr store1 > 126.099722631 ) or bondedto (attr store1 < 79.157 and attr store1 > 78.357 ) or bondedto (attr store1 < 31.4142773688 and attr store1 > 30.6142773688 ))) 6 0.1 0.1 peak 62 volume 805.31647 ppm1 1.895 ppm2 1.900 ! ############### C13_CNnoesy_manual.63 folded - assi (attr store1 < 8.07 and attr store1 > 7.97 ) ((attr store1 < 4.302 and attr store1 > 4.242 ) and (bondedto (attr store1 < 150.788083947 and attr store1 > 149.988083947 ) or bondedto (attr store1 < 55.3026386844 and attr store1 > 54.5026386844 ))) 6 0.1 0.1 peak 63 volume 40.5579 ppm1 4.272 ppm2 8.020 ! ############### C13_CNnoesy_manual.64 folded - assi (attr store1 < 8.473 and attr store1 > 8.373 ) ((attr store1 < 4.297 and attr store1 > 4.237 ) and (bondedto (attr store1 < 150.780083947 and attr store1 > 149.980083947 ) or bondedto (attr store1 < 55.2946386844 and attr store1 > 54.4946386844 ))) 6 0.1 0.1 peak 64 volume 9.94212 ppm1 4.267 ppm2 8.423 ! ############### C13_CNnoesy_manual.65 folded - assi (attr store1 < 7.459 and attr store1 > 7.359 ) ((attr store1 < 4.3 and attr store1 > 4.24 ) and (bondedto (attr store1 < 150.825083947 and attr store1 > 150.025083947 ) or bondedto (attr store1 < 55.3396386844 and attr store1 > 54.5396386844 ))) 6 0.1 0.1 peak 65 volume 8.55492 ppm1 4.270 ppm2 7.409 ! ############### C13_CNnoesy_manual.66 folded - assi (attr store1 < 4.321 and attr store1 > 4.221 ) ((attr store1 < 4.301 and attr store1 > 4.241 ) and (bondedto (attr store1 < 150.791083947 and attr store1 > 149.991083947 ) or bondedto (attr store1 < 55.3056386844 and attr store1 > 54.5056386844 ))) 6 0.1 0.1 peak 66 volume 719.67047 ppm1 4.271 ppm2 4.271 ! ############### C13_CNnoesy_manual.67 folded - assi (attr store1 < 1.616 and attr store1 > 1.516 ) ((attr store1 < 4.299 and attr store1 > 4.239 ) and (bondedto (attr store1 < 150.800083947 and attr store1 > 150.000083947 ) or bondedto (attr store1 < 55.3146386844 and attr store1 > 54.5146386844 ))) 6 0.1 0.1 peak 67 volume 149.41623 ppm1 4.269 ppm2 1.566 ! ############### C13_CNnoesy_manual.68 folded - assi (attr store1 < 0.803 and attr store1 > 0.703 ) ((attr store1 < 4.299 and attr store1 > 4.239 ) and (bondedto (attr store1 < 150.810083947 and attr store1 > 150.010083947 ) or bondedto (attr store1 < 55.3246386844 and attr store1 > 54.5246386844 ))) 6 0.1 0.1 peak 68 volume 16.98337 ppm1 4.269 ppm2 0.753 ! ############### C13_CNnoesy_manual.69 folded + assi (attr store1 < 3.238 and attr store1 > 3.138 ) ((attr store1 < 3.187 and attr store1 > 3.127 ) and (bondedto (attr store1 < 126.814722631 and attr store1 > 126.014722631 ) or bondedto (attr store1 < 79.072 and attr store1 > 78.272 ) or bondedto (attr store1 < 31.3292773688 and attr store1 > 30.5292773688 ))) 6 0.1 0.1 peak 69 volume 386.89343 ppm1 3.157 ppm2 3.188 ! ############### C13_CNnoesy_manual.70 folded + assi (attr store1 < 4.58 and attr store1 > 4.48 ) ((attr store1 < 3.041 and attr store1 > 2.981 ) and (bondedto (attr store1 < 126.822722631 and attr store1 > 126.022722631 ) or bondedto (attr store1 < 79.08 and attr store1 > 78.28 ) or bondedto (attr store1 < 31.3372773688 and attr store1 > 30.5372773688 ))) 6 0.1 0.1 peak 70 volume 34.89667 ppm1 3.011 ppm2 4.530 ! ############### C13_CNnoesy_manual.71 folded + assi (attr store1 < 7.84 and attr store1 > 7.74 ) ((attr store1 < 2.283 and attr store1 > 2.223 ) and (bondedto (attr store1 < 126.853722631 and attr store1 > 126.053722631 ) or bondedto (attr store1 < 79.111 and attr store1 > 78.311 ) or bondedto (attr store1 < 31.3682773688 and attr store1 > 30.5682773688 ))) 6 0.1 0.1 peak 71 volume 20.67175 ppm1 2.253 ppm2 7.790 ! ############### C13_CNnoesy_manual.72 folded + assi (attr store1 < 4.12 and attr store1 > 4.02 ) ((attr store1 < 2.284 and attr store1 > 2.224 ) and (bondedto (attr store1 < 126.833722631 and attr store1 > 126.033722631 ) or bondedto (attr store1 < 79.091 and attr store1 > 78.291 ) or bondedto (attr store1 < 31.3482773688 and attr store1 > 30.5482773688 ))) 6 0.1 0.1 peak 72 volume 23.09211 ppm1 2.254 ppm2 4.070 ! ############### C13_CNnoesy_manual.73 folded + assi (attr store1 < 7.684 and attr store1 > 7.584 ) ((attr store1 < 2.278 and attr store1 > 2.218 ) and (bondedto (attr store1 < 126.823722631 and attr store1 > 126.023722631 ) or bondedto (attr store1 < 79.081 and attr store1 > 78.281 ) or bondedto (attr store1 < 31.3382773688 and attr store1 > 30.5382773688 ))) 6 0.1 0.1 peak 73 volume 14.96320 ppm1 2.248 ppm2 7.634 ! ############### C13_CNnoesy_manual.74 folded + assi (attr store1 < 2.288 and attr store1 > 2.188 ) ((attr store1 < 2.275 and attr store1 > 2.215 ) and (bondedto (attr store1 < 126.824722631 and attr store1 > 126.024722631 ) or bondedto (attr store1 < 79.082 and attr store1 > 78.282 ) or bondedto (attr store1 < 31.3392773688 and attr store1 > 30.5392773688 ))) 6 0.1 0.1 peak 74 volume 270.52725 ppm1 2.245 ppm2 2.238 ! ############### C13_CNnoesy_manual.75 folded + assi (attr store1 < 0.929 and attr store1 > 0.829 ) ((attr store1 < 2.282 and attr store1 > 2.222 ) and (bondedto (attr store1 < 126.786722631 and attr store1 > 125.986722631 ) or bondedto (attr store1 < 79.044 and attr store1 > 78.244 ) or bondedto (attr store1 < 31.3012773688 and attr store1 > 30.5012773688 ))) 6 0.1 0.1 peak 75 volume 19.93215 ppm1 2.252 ppm2 0.879 ! ############### C13_CNnoesy_manual.76 folded + assi (attr store1 < 8.06 and attr store1 > 7.96 ) ((attr store1 < 2.186 and attr store1 > 2.126 ) and (bondedto (attr store1 < 126.791722631 and attr store1 > 125.991722631 ) or bondedto (attr store1 < 79.049 and attr store1 > 78.249 ) or bondedto (attr store1 < 31.3062773688 and attr store1 > 30.5062773688 ))) 6 0.1 0.1 peak 76 volume 15.73400 ppm1 2.156 ppm2 8.010 ! ############### C13_CNnoesy_manual.77 folded + assi (attr store1 < 0.922 and attr store1 > 0.822 ) ((attr store1 < 2.186 and attr store1 > 2.126 ) and (bondedto (attr store1 < 126.801722631 and attr store1 > 126.001722631 ) or bondedto (attr store1 < 79.059 and attr store1 > 78.259 ) or bondedto (attr store1 < 31.3162773688 and attr store1 > 30.5162773688 ))) 6 0.1 0.1 peak 77 volume 33.43319 ppm1 2.156 ppm2 0.872 ! ############### C13_CNnoesy_manual.78 folded + assi (attr store1 < 0.815 and attr store1 > 0.715 ) ((attr store1 < 2.183 and attr store1 > 2.123 ) and (bondedto (attr store1 < 126.810722631 and attr store1 > 126.010722631 ) or bondedto (attr store1 < 79.068 and attr store1 > 78.268 ) or bondedto (attr store1 < 31.3252773688 and attr store1 > 30.5252773688 ))) 6 0.1 0.1 peak 78 volume 26.10420 ppm1 2.153 ppm2 0.765 ! ############### C13_CNnoesy_manual.79 folded + assi (attr store1 < 8.196 and attr store1 > 8.096 ) ((attr store1 < 2.173 and attr store1 > 2.113 ) and (bondedto (attr store1 < 126.827722631 and attr store1 > 126.027722631 ) or bondedto (attr store1 < 79.085 and attr store1 > 78.285 ) or bondedto (attr store1 < 31.3422773688 and attr store1 > 30.5422773688 ))) 6 0.1 0.1 peak 79 volume 16.05463 ppm1 2.143 ppm2 8.146 ! ############### C13_CNnoesy_manual.80 folded + assi (attr store1 < 4.118 and attr store1 > 4.018 ) ((attr store1 < 2.169 and attr store1 > 2.109 ) and (bondedto (attr store1 < 126.831722631 and attr store1 > 126.031722631 ) or bondedto (attr store1 < 79.089 and attr store1 > 78.289 ) or bondedto (attr store1 < 31.3462773688 and attr store1 > 30.5462773688 ))) 6 0.1 0.1 peak 80 volume 28.54539 ppm1 2.139 ppm2 4.068 ! ############### C13_CNnoesy_manual.81 folded + assi (attr store1 < 1.399 and attr store1 > 1.299 ) ((attr store1 < 2.177 and attr store1 > 2.117 ) and (bondedto (attr store1 < 126.809722631 and attr store1 > 126.009722631 ) or bondedto (attr store1 < 79.067 and attr store1 > 78.267 ) or bondedto (attr store1 < 31.3242773688 and attr store1 > 30.5242773688 ))) 6 0.1 0.1 peak 81 volume 25.39082 ppm1 2.147 ppm2 1.349 ! ############### C13_CNnoesy_manual.82 folded + assi (attr store1 < 7.842 and attr store1 > 7.742 ) ((attr store1 < 2.163 and attr store1 > 2.103 ) and (bondedto (attr store1 < 126.844722631 and attr store1 > 126.044722631 ) or bondedto (attr store1 < 79.102 and attr store1 > 78.302 ) or bondedto (attr store1 < 31.3592773688 and attr store1 > 30.5592773688 ))) 6 0.1 0.1 peak 82 volume 18.48833 ppm1 2.133 ppm2 7.792 ! ############### C13_CNnoesy_manual.83 folded + assi (attr store1 < 4.624 and attr store1 > 4.524 ) ((attr store1 < 1.961 and attr store1 > 1.901 ) and (bondedto (attr store1 < 126.807722631 and attr store1 > 126.007722631 ) or bondedto (attr store1 < 79.065 and attr store1 > 78.265 ) or bondedto (attr store1 < 31.3222773688 and attr store1 > 30.5222773688 ))) 6 0.1 0.1 peak 83 volume 17.54815 ppm1 1.931 ppm2 4.574 ! ############### C13_CNnoesy_manual.84 folded + assi (attr store1 < 8.058 and attr store1 > 7.958 ) ((attr store1 < 1.955 and attr store1 > 1.895 ) and (bondedto (attr store1 < 126.812722631 and attr store1 > 126.012722631 ) or bondedto (attr store1 < 79.07 and attr store1 > 78.27 ) or bondedto (attr store1 < 31.3272773688 and attr store1 > 30.5272773688 ))) 6 0.1 0.1 peak 84 volume 12.18411 ppm1 1.925 ppm2 8.008 ! ############### C13_CNnoesy_manual.85 folded + assi (attr store1 < 1.401 and attr store1 > 1.301 ) ((attr store1 < 1.948 and attr store1 > 1.888 ) and (bondedto (attr store1 < 126.806722631 and attr store1 > 126.006722631 ) or bondedto (attr store1 < 79.064 and attr store1 > 78.264 ) or bondedto (attr store1 < 31.3212773688 and attr store1 > 30.5212773688 ))) 6 0.1 0.1 peak 85 volume 18.98402 ppm1 1.918 ppm2 1.351 ! ############### C13_CNnoesy_manual.86 folded - assi (attr store1 < 7.737 and attr store1 > 7.637 ) ((attr store1 < 4.212 and attr store1 > 4.152 ) and (bondedto (attr store1 < 150.726083947 and attr store1 > 149.926083947 ) or bondedto (attr store1 < 55.2406386844 and attr store1 > 54.4406386844 ))) 6 0.1 0.1 peak 86 volume 33.37833 ppm1 4.182 ppm2 7.687 ! ############### C13_CNnoesy_manual.87 folded - assi (attr store1 < 4.23 and attr store1 > 4.13 ) ((attr store1 < 4.215 and attr store1 > 4.155 ) and (bondedto (attr store1 < 150.742083947 and attr store1 > 149.942083947 ) or bondedto (attr store1 < 55.2566386844 and attr store1 > 54.4566386844 ))) 6 0.1 0.1 peak 87 volume 677.51428 ppm1 4.185 ppm2 4.180 ! ############### C13_CNnoesy_manual.88 folded - assi (attr store1 < 2.356 and attr store1 > 2.256 ) ((attr store1 < 4.212 and attr store1 > 4.152 ) and (bondedto (attr store1 < 150.724083947 and attr store1 > 149.924083947 ) or bondedto (attr store1 < 55.2386386844 and attr store1 > 54.4386386844 ))) 6 0.1 0.1 peak 88 volume 22.22751 ppm1 4.182 ppm2 2.306 ! ############### C13_CNnoesy_manual.89 folded - assi (attr store1 < 1.417 and attr store1 > 1.317 ) ((attr store1 < 4.213 and attr store1 > 4.153 ) and (bondedto (attr store1 < 150.710083947 and attr store1 > 149.910083947 ) or bondedto (attr store1 < 55.2246386844 and attr store1 > 54.4246386844 ))) 6 0.1 0.1 peak 89 volume 140.28603 ppm1 4.183 ppm2 1.367 ! ############### C13_CNnoesy_manual.90 folded - assi (attr store1 < 1.168 and attr store1 > 1.068 ) ((attr store1 < 4.213 and attr store1 > 4.153 ) and (bondedto (attr store1 < 150.702083947 and attr store1 > 149.902083947 ) or bondedto (attr store1 < 55.2166386844 and attr store1 > 54.4166386844 ))) 6 0.1 0.1 peak 90 volume 32.92848 ppm1 4.183 ppm2 1.118 ! ############### C13_CNnoesy_manual.91 folded + assi (attr store1 < 4.586 and attr store1 > 4.486 ) ((attr store1 < 3.328 and attr store1 > 3.268 ) and (bondedto (attr store1 < 126.747722631 and attr store1 > 125.947722631 ) or bondedto (attr store1 < 79.005 and attr store1 > 78.205 ) or bondedto (attr store1 < 31.2622773688 and attr store1 > 30.4622773688 ))) 6 0.1 0.1 peak 91 volume 32.71685 ppm1 3.298 ppm2 4.536 ! ############### C13_CNnoesy_manual.92 folded + assi (attr store1 < 3.061 and attr store1 > 2.961 ) ((attr store1 < 3.326 and attr store1 > 3.266 ) and (bondedto (attr store1 < 126.750722631 and attr store1 > 125.950722631 ) or bondedto (attr store1 < 79.008 and attr store1 > 78.208 ) or bondedto (attr store1 < 31.2652773688 and attr store1 > 30.4652773688 ))) 6 0.1 0.1 peak 92 volume 121.44871 ppm1 3.296 ppm2 3.011 ! ############### C13_CNnoesy_manual.93 folded + assi (attr store1 < 3.345 and attr store1 > 3.245 ) ((attr store1 < 3.04 and attr store1 > 2.98 ) and (bondedto (attr store1 < 126.761722631 and attr store1 > 125.961722631 ) or bondedto (attr store1 < 79.019 and attr store1 > 78.219 ) or bondedto (attr store1 < 31.2762773688 and attr store1 > 30.4762773688 ))) 6 0.1 0.1 peak 93 volume 120.97854 ppm1 3.010 ppm2 3.295 ! ############### C13_CNnoesy_manual.94 folded + assi (attr store1 < 8.475 and attr store1 > 8.375 ) ((attr store1 < 2.207 and attr store1 > 2.147 ) and (bondedto (attr store1 < 126.760722631 and attr store1 > 125.960722631 ) or bondedto (attr store1 < 79.018 and attr store1 > 78.218 ) or bondedto (attr store1 < 31.2752773688 and attr store1 > 30.4752773688 ))) 6 0.1 0.1 peak 94 volume 21.03547 ppm1 2.177 ppm2 8.425 ! ############### C13_CNnoesy_manual.95 folded + assi (attr store1 < 7.727 and attr store1 > 7.627 ) ((attr store1 < 2.204 and attr store1 > 2.144 ) and (bondedto (attr store1 < 126.761722631 and attr store1 > 125.961722631 ) or bondedto (attr store1 < 79.019 and attr store1 > 78.219 ) or bondedto (attr store1 < 31.2762773688 and attr store1 > 30.4762773688 ))) 6 0.1 0.1 peak 95 volume 50.77800 ppm1 2.174 ppm2 7.677 ! ############### C13_CNnoesy_manual.96 folded + assi (attr store1 < 1.626 and attr store1 > 1.526 ) ((attr store1 < 2.206 and attr store1 > 2.146 ) and (bondedto (attr store1 < 126.748722631 and attr store1 > 125.948722631 ) or bondedto (attr store1 < 79.006 and attr store1 > 78.206 ) or bondedto (attr store1 < 31.2632773688 and attr store1 > 30.4632773688 ))) 6 0.1 0.1 peak 96 volume 46.23922 ppm1 2.176 ppm2 1.576 ! ############### C13_CNnoesy_manual.97 folded + assi (attr store1 < 4.617 and attr store1 > 4.517 ) ((attr store1 < 2.196 and attr store1 > 2.136 ) and (bondedto (attr store1 < 126.765722631 and attr store1 > 125.965722631 ) or bondedto (attr store1 < 79.023 and attr store1 > 78.223 ) or bondedto (attr store1 < 31.2802773688 and attr store1 > 30.4802773688 ))) 6 0.1 0.1 peak 97 volume 36.27683 ppm1 2.166 ppm2 4.567 ! ############### C13_CNnoesy_manual.98 folded + assi (attr store1 < 4.375 and attr store1 > 4.275 ) ((attr store1 < 2.2 and attr store1 > 2.14 ) and (bondedto (attr store1 < 126.753722631 and attr store1 > 125.953722631 ) or bondedto (attr store1 < 79.011 and attr store1 > 78.211 ) or bondedto (attr store1 < 31.2682773688 and attr store1 > 30.4682773688 ))) 6 0.1 0.1 peak 98 volume 47.56443 ppm1 2.170 ppm2 4.325 ! ############### C13_CNnoesy_manual.99 folded + assi (attr store1 < 3.131 and attr store1 > 3.031 ) ((attr store1 < 2.2 and attr store1 > 2.14 ) and (bondedto (attr store1 < 126.755722631 and attr store1 > 125.955722631 ) or bondedto (attr store1 < 79.013 and attr store1 > 78.213 ) or bondedto (attr store1 < 31.2702773688 and attr store1 > 30.4702773688 ))) 6 0.1 0.1 peak 99 volume 13.26921 ppm1 2.170 ppm2 3.081 ! ############### C13_CNnoesy_manual.100 folded + assi (attr store1 < 2.224 and attr store1 > 2.124 ) ((attr store1 < 2.203 and attr store1 > 2.143 ) and (bondedto (attr store1 < 126.728722631 and attr store1 > 125.928722631 ) or bondedto (attr store1 < 78.986 and attr store1 > 78.186 ) or bondedto (attr store1 < 31.2432773688 and attr store1 > 30.4432773688 ))) 6 0.1 0.1 peak 100 volume 601.04889 ppm1 2.173 ppm2 2.174 ! ############### C13_CNnoesy_manual.101 folded + assi (attr store1 < 1.965 and attr store1 > 1.865 ) ((attr store1 < 2.182 and attr store1 > 2.122 ) and (bondedto (attr store1 < 126.771722631 and attr store1 > 125.971722631 ) or bondedto (attr store1 < 79.029 and attr store1 > 78.229 ) or bondedto (attr store1 < 31.2862773688 and attr store1 > 30.4862773688 ))) 6 0.1 0.1 peak 101 volume 111.13847 ppm1 2.152 ppm2 1.915 ! ############### C13_CNnoesy_manual.102 folded + assi (attr store1 < 2.427 and attr store1 > 2.327 ) ((attr store1 < 2.172 and attr store1 > 2.112 ) and (bondedto (attr store1 < 126.779722631 and attr store1 > 125.979722631 ) or bondedto (attr store1 < 79.037 and attr store1 > 78.237 ) or bondedto (attr store1 < 31.2942773688 and attr store1 > 30.4942773688 ))) 6 0.1 0.1 peak 102 volume 94.06083 ppm1 2.142 ppm2 2.377 ! ############### C13_CNnoesy_manual.103 folded - assi (attr store1 < 2.957 and attr store1 > 2.857 ) ((attr store1 < 2.938 and attr store1 > 2.878 ) and (bondedto (attr store1 < 150.625083947 and attr store1 > 149.825083947 ) or bondedto (attr store1 < 55.1396386844 and attr store1 > 54.3396386844 ))) 6 0.1 0.1 peak 103 volume 29.29116 ppm1 2.908 ppm2 2.907 ! ############### C13_CNnoesy_manual.104 folded + assi (attr store1 < 3.139 and attr store1 > 3.039 ) ((attr store1 < 3.119 and attr store1 > 3.059 ) and (bondedto (attr store1 < 126.231722631 and attr store1 > 125.431722631 ) or bondedto (attr store1 < 78.489 and attr store1 > 77.689 ) or bondedto (attr store1 < 30.7462773688 and attr store1 > 29.9462773688 ))) 6 0.1 0.1 peak 104 volume 84.21725 ppm1 3.089 ppm2 3.089 ! ############### C13_CNnoesy_manual.105 folded + assi (attr store1 < 8.477 and attr store1 > 8.377 ) ((attr store1 < 1.938 and attr store1 > 1.878 ) and (bondedto (attr store1 < 126.238722631 and attr store1 > 125.438722631 ) or bondedto (attr store1 < 78.496 and attr store1 > 77.696 ) or bondedto (attr store1 < 30.7532773688 and attr store1 > 29.9532773688 ))) 6 0.1 0.1 peak 105 volume 20.62120 ppm1 1.908 ppm2 8.427 ! ############### C13_CNnoesy_manual.106 folded + assi (attr store1 < 3.579 and attr store1 > 3.479 ) ((attr store1 < 1.938 and attr store1 > 1.878 ) and (bondedto (attr store1 < 126.236722631 and attr store1 > 125.436722631 ) or bondedto (attr store1 < 78.494 and attr store1 > 77.694 ) or bondedto (attr store1 < 30.7512773688 and attr store1 > 29.9512773688 ))) 6 0.1 0.1 peak 106 volume 17.64022 ppm1 1.908 ppm2 3.529 ! ############### C13_CNnoesy_manual.107 folded + assi (attr store1 < 0.968 and attr store1 > 0.868 ) ((attr store1 < 1.929 and attr store1 > 1.869 ) and (bondedto (attr store1 < 126.238722631 and attr store1 > 125.438722631 ) or bondedto (attr store1 < 78.496 and attr store1 > 77.696 ) or bondedto (attr store1 < 30.7532773688 and attr store1 > 29.9532773688 ))) 6 0.1 0.1 peak 107 volume 120.66036 ppm1 1.899 ppm2 0.918 ! ############### C13_CNnoesy_manual.108 folded + assi (attr store1 < 8.483 and attr store1 > 8.383 ) ((attr store1 < 0.958 and attr store1 > 0.898 ) and (bondedto (attr store1 < 126.251722631 and attr store1 > 125.451722631 ) or bondedto (attr store1 < 78.509 and attr store1 > 77.709 ) or bondedto (attr store1 < 30.7662773688 and attr store1 > 29.9662773688 ))) 6 0.1 0.1 peak 108 volume 12.78986 ppm1 0.928 ppm2 8.433 ! ############### C13_CNnoesy_manual.109 folded + assi (attr store1 < 3.584 and attr store1 > 3.484 ) ((attr store1 < 0.962 and attr store1 > 0.902 ) and (bondedto (attr store1 < 126.223722631 and attr store1 > 125.423722631 ) or bondedto (attr store1 < 78.481 and attr store1 > 77.681 ) or bondedto (attr store1 < 30.7382773688 and attr store1 > 29.9382773688 ))) 6 0.1 0.1 peak 109 volume 16.29729 ppm1 0.932 ppm2 3.534 ! ############### C13_CNnoesy_manual.110 folded + assi (attr store1 < 1.951 and attr store1 > 1.851 ) ((attr store1 < 0.966 and attr store1 > 0.906 ) and (bondedto (attr store1 < 126.228722631 and attr store1 > 125.428722631 ) or bondedto (attr store1 < 78.486 and attr store1 > 77.686 ) or bondedto (attr store1 < 30.7432773688 and attr store1 > 29.9432773688 ))) 6 0.1 0.1 peak 110 volume 77.38551 ppm1 0.936 ppm2 1.901 ! ############### C13_CNnoesy_manual.111 folded + assi (attr store1 < 1.953 and attr store1 > 1.853 ) ((attr store1 < 0.864 and attr store1 > 0.804 ) and (bondedto (attr store1 < 126.230722631 and attr store1 > 125.430722631 ) or bondedto (attr store1 < 78.488 and attr store1 > 77.688 ) or bondedto (attr store1 < 30.7452773688 and attr store1 > 29.9452773688 ))) 6 0.1 0.1 peak 111 volume 30.49198 ppm1 0.834 ppm2 1.903 ! ############### C13_CNnoesy_manual.112 folded + assi (attr store1 < 2.152 and attr store1 > 2.052 ) ((attr store1 < 0.965 and attr store1 > 0.905 ) and (bondedto (attr store1 < 126.219722631 and attr store1 > 125.419722631 ) or bondedto (attr store1 < 78.477 and attr store1 > 77.677 ) or bondedto (attr store1 < 30.7342773688 and attr store1 > 29.9342773688 ))) 6 0.1 0.1 peak 112 volume 15.10692 ppm1 0.935 ppm2 2.102 ! ############### C13_CNnoesy_manual.113 folded + assi (attr store1 < 0.958 and attr store1 > 0.858 ) ((attr store1 < 0.951 and attr store1 > 0.891 ) and (bondedto (attr store1 < 126.163722631 and attr store1 > 125.363722631 ) or bondedto (attr store1 < 78.421 and attr store1 > 77.621 ) or bondedto (attr store1 < 30.6782773688 and attr store1 > 29.8782773688 ))) 6 0.1 0.1 peak 113 volume 160.30788 ppm1 0.921 ppm2 0.908 ! ############### C13_CNnoesy_manual.114 folded - assi (attr store1 < 2.858 and attr store1 > 2.758 ) ((attr store1 < 2.84 and attr store1 > 2.78 ) and (bondedto (attr store1 < 150.084083947 and attr store1 > 149.284083947 ) or bondedto (attr store1 < 54.5986386844 and attr store1 > 53.7986386844 ))) 6 0.1 0.1 peak 114 volume 61.29189 ppm1 2.810 ppm2 2.808 ! ############### C13_CNnoesy_manual.115 folded + assi (attr store1 < 2.939 and attr store1 > 2.839 ) ((attr store1 < 1.796 and attr store1 > 1.736 ) and (bondedto (attr store1 < 126.053722631 and attr store1 > 125.253722631 ) or bondedto (attr store1 < 78.311 and attr store1 > 77.511 ) or bondedto (attr store1 < 30.5682773688 and attr store1 > 29.7682773688 ))) 6 0.1 0.1 peak 115 volume 33.03788 ppm1 1.766 ppm2 2.889 ! ############### C13_CNnoesy_manual.116 folded + assi (attr store1 < 4.521 and attr store1 > 4.421 ) ((attr store1 < 1.806 and attr store1 > 1.746 ) and (bondedto (attr store1 < 126.022722631 and attr store1 > 125.222722631 ) or bondedto (attr store1 < 78.28 and attr store1 > 77.48 ) or bondedto (attr store1 < 30.5372773688 and attr store1 > 29.7372773688 ))) 6 0.1 0.1 peak 116 volume 23.32838 ppm1 1.776 ppm2 4.471 ! ############### C13_CNnoesy_manual.117 folded + assi (attr store1 < 4.237 and attr store1 > 4.137 ) ((attr store1 < 1.805 and attr store1 > 1.745 ) and (bondedto (attr store1 < 125.953722631 and attr store1 > 125.153722631 ) or bondedto (attr store1 < 78.211 and attr store1 > 77.411 ) or bondedto (attr store1 < 30.4682773688 and attr store1 > 29.6682773688 ))) 6 0.1 0.1 peak 117 volume 11.28718 ppm1 1.775 ppm2 4.187 ! ############### C13_CNnoesy_manual.118 folded + assi (attr store1 < 3.027 and attr store1 > 2.927 ) ((attr store1 < 1.793 and attr store1 > 1.733 ) and (bondedto (attr store1 < 126.035722631 and attr store1 > 125.235722631 ) or bondedto (attr store1 < 78.293 and attr store1 > 77.493 ) or bondedto (attr store1 < 30.5502773688 and attr store1 > 29.7502773688 ))) 6 0.1 0.1 peak 118 volume 34.42389 ppm1 1.763 ppm2 2.977 ! ############### C13_CNnoesy_manual.119 folded + assi (attr store1 < 1.084 and attr store1 > 0.984 ) ((attr store1 < 1.797 and attr store1 > 1.737 ) and (bondedto (attr store1 < 126.019722631 and attr store1 > 125.219722631 ) or bondedto (attr store1 < 78.277 and attr store1 > 77.477 ) or bondedto (attr store1 < 30.5342773688 and attr store1 > 29.7342773688 ))) 6 0.1 0.1 peak 119 volume 36.04642 ppm1 1.767 ppm2 1.034 ! ############### C13_CNnoesy_manual.120 folded + assi (attr store1 < 8.037 and attr store1 > 7.937 ) ((attr store1 < 1.436 and attr store1 > 1.376 ) and (bondedto (attr store1 < 126.017722631 and attr store1 > 125.217722631 ) or bondedto (attr store1 < 78.275 and attr store1 > 77.475 ) or bondedto (attr store1 < 30.5322773688 and attr store1 > 29.7322773688 ))) 6 0.1 0.1 peak 120 volume 11.24022 ppm1 1.406 ppm2 7.987 ! ############### C13_CNnoesy_manual.121 folded + assi (attr store1 < 1.453 and attr store1 > 1.353 ) ((attr store1 < 1.443 and attr store1 > 1.383 ) and (bondedto (attr store1 < 126.033722631 and attr store1 > 125.233722631 ) or bondedto (attr store1 < 78.291 and attr store1 > 77.491 ) or bondedto (attr store1 < 30.5482773688 and attr store1 > 29.7482773688 ))) 6 0.1 0.1 peak 121 volume 86.60641 ppm1 1.413 ppm2 1.403 ! ############### C13_CNnoesy_manual.122 folded + assi (attr store1 < 1.194 and attr store1 > 1.094 ) ((attr store1 < 1.439 and attr store1 > 1.379 ) and (bondedto (attr store1 < 125.995722631 and attr store1 > 125.195722631 ) or bondedto (attr store1 < 78.253 and attr store1 > 77.453 ) or bondedto (attr store1 < 30.5102773688 and attr store1 > 29.7102773688 ))) 6 0.1 0.1 peak 122 volume 63.26369 ppm1 1.409 ppm2 1.144 ! ############### C13_CNnoesy_manual.123 folded + assi (attr store1 < 4.056 and attr store1 > 3.956 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 126.006722631 and attr store1 > 125.206722631 ) or bondedto (attr store1 < 78.264 and attr store1 > 77.464 ) or bondedto (attr store1 < 30.5212773688 and attr store1 > 29.7212773688 ))) 6 0.1 0.1 peak 123 volume 11.63550 ppm1 1.401 ppm2 4.006 ! ############### C13_CNnoesy_manual.124 folded + assi (attr store1 < 2.841 and attr store1 > 2.741 ) ((attr store1 < 1.434 and attr store1 > 1.374 ) and (bondedto (attr store1 < 126.005722631 and attr store1 > 125.205722631 ) or bondedto (attr store1 < 78.263 and attr store1 > 77.463 ) or bondedto (attr store1 < 30.5202773688 and attr store1 > 29.7202773688 ))) 6 0.1 0.1 peak 124 volume 11.80890 ppm1 1.404 ppm2 2.791 ! ############### C13_CNnoesy_manual.125 folded + assi (attr store1 < 4.046 and attr store1 > 3.946 ) ((attr store1 < 1.158 and attr store1 > 1.098 ) and (bondedto (attr store1 < 126.004722631 and attr store1 > 125.204722631 ) or bondedto (attr store1 < 78.262 and attr store1 > 77.462 ) or bondedto (attr store1 < 30.5192773688 and attr store1 > 29.7192773688 ))) 6 0.1 0.1 peak 125 volume 10.71919 ppm1 1.128 ppm2 3.996 ! ############### C13_CNnoesy_manual.126 folded + assi (attr store1 < 1.46 and attr store1 > 1.36 ) ((attr store1 < 1.15 and attr store1 > 1.09 ) and (bondedto (attr store1 < 125.996722631 and attr store1 > 125.196722631 ) or bondedto (attr store1 < 78.254 and attr store1 > 77.454 ) or bondedto (attr store1 < 30.5112773688 and attr store1 > 29.7112773688 ))) 6 0.1 0.1 peak 126 volume 37.88994 ppm1 1.120 ppm2 1.410 ! ############### C13_CNnoesy_manual.127 folded + assi (attr store1 < 1.178 and attr store1 > 1.078 ) ((attr store1 < 1.156 and attr store1 > 1.096 ) and (bondedto (attr store1 < 125.983722631 and attr store1 > 125.183722631 ) or bondedto (attr store1 < 78.241 and attr store1 > 77.441 ) or bondedto (attr store1 < 30.4982773688 and attr store1 > 29.6982773688 ))) 6 0.1 0.1 peak 127 volume 87.94165 ppm1 1.126 ppm2 1.128 ! ############### C13_CNnoesy_manual.128 folded + assi (attr store1 < 2.844 and attr store1 > 2.744 ) ((attr store1 < 1.144 and attr store1 > 1.084 ) and (bondedto (attr store1 < 125.995722631 and attr store1 > 125.195722631 ) or bondedto (attr store1 < 78.253 and attr store1 > 77.453 ) or bondedto (attr store1 < 30.5102773688 and attr store1 > 29.7102773688 ))) 6 0.1 0.1 peak 128 volume 9.55824 ppm1 1.114 ppm2 2.794 ! ############### C13_CNnoesy_manual.129 folded - assi (attr store1 < 0.791 and attr store1 > 0.691 ) ((attr store1 < 0.766 and attr store1 > 0.706 ) and (bondedto (attr store1 < 149.855083947 and attr store1 > 149.055083947 ) or bondedto (attr store1 < 54.3696386844 and attr store1 > 53.5696386844 ))) 6 0.1 0.1 peak 129 volume 31.61499 ppm1 0.736 ppm2 0.741 ! ############### C13_CNnoesy_manual.130 folded + assi (attr store1 < 7.171 and attr store1 > 7.071 ) ((attr store1 < 2.305 and attr store1 > 2.245 ) and (bondedto (attr store1 < 125.869722631 and attr store1 > 125.069722631 ) or bondedto (attr store1 < 78.127 and attr store1 > 77.327 ) or bondedto (attr store1 < 30.3842773688 and attr store1 > 29.5842773688 ))) 6 0.1 0.1 peak 130 volume 12.37493 ppm1 2.275 ppm2 7.121 ! ############### C13_CNnoesy_manual.131 folded + assi (attr store1 < 4.088 and attr store1 > 3.988 ) ((attr store1 < 2.302 and attr store1 > 2.242 ) and (bondedto (attr store1 < 125.871722631 and attr store1 > 125.071722631 ) or bondedto (attr store1 < 78.129 and attr store1 > 77.329 ) or bondedto (attr store1 < 30.3862773688 and attr store1 > 29.5862773688 ))) 6 0.1 0.1 peak 131 volume 25.23956 ppm1 2.272 ppm2 4.038 ! ############### C13_CNnoesy_manual.132 folded + assi (attr store1 < 4.086 and attr store1 > 3.986 ) ((attr store1 < 2.174 and attr store1 > 2.114 ) and (bondedto (attr store1 < 125.851722631 and attr store1 > 125.051722631 ) or bondedto (attr store1 < 78.109 and attr store1 > 77.309 ) or bondedto (attr store1 < 30.3662773688 and attr store1 > 29.5662773688 ))) 6 0.1 0.1 peak 132 volume 40.20247 ppm1 2.144 ppm2 4.036 ! ############### C13_CNnoesy_manual.133 folded + assi (attr store1 < 2.202 and attr store1 > 2.102 ) ((attr store1 < 2.175 and attr store1 > 2.115 ) and (bondedto (attr store1 < 125.854722631 and attr store1 > 125.054722631 ) or bondedto (attr store1 < 78.112 and attr store1 > 77.312 ) or bondedto (attr store1 < 30.3692773688 and attr store1 > 29.5692773688 ))) 6 0.1 0.1 peak 133 volume 590.31354 ppm1 2.145 ppm2 2.152 ! ############### C13_CNnoesy_manual.134 folded + assi (attr store1 < 0.955 and attr store1 > 0.855 ) ((attr store1 < 2.167 and attr store1 > 2.107 ) and (bondedto (attr store1 < 125.857722631 and attr store1 > 125.057722631 ) or bondedto (attr store1 < 78.115 and attr store1 > 77.315 ) or bondedto (attr store1 < 30.3722773688 and attr store1 > 29.5722773688 ))) 6 0.1 0.1 peak 134 volume 14.07234 ppm1 2.137 ppm2 0.905 ! ############### C13_CNnoesy_manual.135 folded + assi (attr store1 < 8.748 and attr store1 > 8.648 ) ((attr store1 < 2.288 and attr store1 > 2.228 ) and (bondedto (attr store1 < 125.788722631 and attr store1 > 124.988722631 ) or bondedto (attr store1 < 78.046 and attr store1 > 77.246 ) or bondedto (attr store1 < 30.3032773688 and attr store1 > 29.5032773688 ))) 6 0.1 0.1 peak 135 volume 35.77929 ppm1 2.258 ppm2 8.698 ! ############### C13_CNnoesy_manual.136 folded + assi (attr store1 < 8.697 and attr store1 > 8.597 ) ((attr store1 < 2.24 and attr store1 > 2.18 ) and (bondedto (attr store1 < 125.796722631 and attr store1 > 124.996722631 ) or bondedto (attr store1 < 78.054 and attr store1 > 77.254 ) or bondedto (attr store1 < 30.3112773688 and attr store1 > 29.5112773688 ))) 6 0.1 0.1 peak 136 volume 49.12286 ppm1 2.210 ppm2 8.647 ! ############### C13_CNnoesy_manual.137 folded + assi (attr store1 < 4.336 and attr store1 > 4.236 ) ((attr store1 < 2.235 and attr store1 > 2.175 ) and (bondedto (attr store1 < 125.759722631 and attr store1 > 124.959722631 ) or bondedto (attr store1 < 78.017 and attr store1 > 77.217 ) or bondedto (attr store1 < 30.2742773688 and attr store1 > 29.4742773688 ))) 6 0.1 0.1 peak 137 volume 72.11599 ppm1 2.205 ppm2 4.286 ! ############### C13_CNnoesy_manual.138 folded + assi (attr store1 < 2.649 and attr store1 > 2.549 ) ((attr store1 < 2.231 and attr store1 > 2.171 ) and (bondedto (attr store1 < 125.792722631 and attr store1 > 124.992722631 ) or bondedto (attr store1 < 78.05 and attr store1 > 77.25 ) or bondedto (attr store1 < 30.3072773688 and attr store1 > 29.5072773688 ))) 6 0.1 0.1 peak 138 volume 60.39474 ppm1 2.201 ppm2 2.599 ! ############### C13_CNnoesy_manual.139 folded + assi (attr store1 < 8.761 and attr store1 > 8.661 ) ((attr store1 < 2.171 and attr store1 > 2.111 ) and (bondedto (attr store1 < 125.819722631 and attr store1 > 125.019722631 ) or bondedto (attr store1 < 78.077 and attr store1 > 77.277 ) or bondedto (attr store1 < 30.3342773688 and attr store1 > 29.5342773688 ))) 6 0.1 0.1 peak 139 volume 31.85110 ppm1 2.141 ppm2 8.711 ! ############### C13_CNnoesy_manual.140 folded + assi (attr store1 < 7.172 and attr store1 > 7.072 ) ((attr store1 < 2.17 and attr store1 > 2.11 ) and (bondedto (attr store1 < 125.830722631 and attr store1 > 125.030722631 ) or bondedto (attr store1 < 78.088 and attr store1 > 77.288 ) or bondedto (attr store1 < 30.3452773688 and attr store1 > 29.5452773688 ))) 6 0.1 0.1 peak 140 volume 13.22419 ppm1 2.140 ppm2 7.122 ! ############### C13_CNnoesy_manual.141 folded + assi (attr store1 < 1.612 and attr store1 > 1.512 ) ((attr store1 < 1.594 and attr store1 > 1.534 ) and (bondedto (attr store1 < 125.823722631 and attr store1 > 125.023722631 ) or bondedto (attr store1 < 78.081 and attr store1 > 77.281 ) or bondedto (attr store1 < 30.3382773688 and attr store1 > 29.5382773688 ))) 6 0.1 0.1 peak 141 volume 83.83870 ppm1 1.564 ppm2 1.562 ! ############### C13_CNnoesy_manual.142 folded - assi (attr store1 < 0.838 and attr store1 > 0.738 ) ((attr store1 < 0.817 and attr store1 > 0.757 ) and (bondedto (attr store1 < 149.649083947 and attr store1 > 148.849083947 ) or bondedto (attr store1 < 54.1636386844 and attr store1 > 53.3636386844 ))) 6 0.1 0.1 peak 142 volume 46.92762 ppm1 0.787 ppm2 0.788 ! ############### C13_CNnoesy_manual.143 folded + assi (attr store1 < 8.156 and attr store1 > 8.056 ) ((attr store1 < 2.481 and attr store1 > 2.421 ) and (bondedto (attr store1 < 125.721722631 and attr store1 > 124.921722631 ) or bondedto (attr store1 < 77.979 and attr store1 > 77.179 ) or bondedto (attr store1 < 30.2362773688 and attr store1 > 29.4362773688 ))) 6 0.1 0.1 peak 143 volume 28.31034 ppm1 2.451 ppm2 8.106 ! ############### C13_CNnoesy_manual.144 folded + assi (attr store1 < 7.725 and attr store1 > 7.625 ) ((attr store1 < 2.487 and attr store1 > 2.427 ) and (bondedto (attr store1 < 125.724722631 and attr store1 > 124.924722631 ) or bondedto (attr store1 < 77.982 and attr store1 > 77.182 ) or bondedto (attr store1 < 30.2392773688 and attr store1 > 29.4392773688 ))) 6 0.1 0.1 peak 144 volume 12.68127 ppm1 2.457 ppm2 7.675 ! ############### C13_CNnoesy_manual.145 folded + assi (attr store1 < 4.354 and attr store1 > 4.254 ) ((attr store1 < 2.483 and attr store1 > 2.423 ) and (bondedto (attr store1 < 125.665722631 and attr store1 > 124.865722631 ) or bondedto (attr store1 < 77.923 and attr store1 > 77.123 ) or bondedto (attr store1 < 30.1802773688 and attr store1 > 29.3802773688 ))) 6 0.1 0.1 peak 145 volume 16.57415 ppm1 2.453 ppm2 4.304 ! ############### C13_CNnoesy_manual.146 folded + assi (attr store1 < 4.155 and attr store1 > 4.055 ) ((attr store1 < 2.482 and attr store1 > 2.422 ) and (bondedto (attr store1 < 125.713722631 and attr store1 > 124.913722631 ) or bondedto (attr store1 < 77.971 and attr store1 > 77.171 ) or bondedto (attr store1 < 30.2282773688 and attr store1 > 29.4282773688 ))) 6 0.1 0.1 peak 146 volume 25.78690 ppm1 2.452 ppm2 4.105 ! ############### C13_CNnoesy_manual.147 folded + assi (attr store1 < 2.831 and attr store1 > 2.731 ) ((attr store1 < 2.484 and attr store1 > 2.424 ) and (bondedto (attr store1 < 125.722722631 and attr store1 > 124.922722631 ) or bondedto (attr store1 < 77.98 and attr store1 > 77.18 ) or bondedto (attr store1 < 30.2372773688 and attr store1 > 29.4372773688 ))) 6 0.1 0.1 peak 147 volume 29.23366 ppm1 2.454 ppm2 2.781 ! ############### C13_CNnoesy_manual.148 folded + assi (attr store1 < 8.221 and attr store1 > 8.121 ) ((attr store1 < 2.4 and attr store1 > 2.34 ) and (bondedto (attr store1 < 125.722722631 and attr store1 > 124.922722631 ) or bondedto (attr store1 < 77.98 and attr store1 > 77.18 ) or bondedto (attr store1 < 30.2372773688 and attr store1 > 29.4372773688 ))) 6 0.1 0.1 peak 148 volume 24.15206 ppm1 2.370 ppm2 8.171 ! ############### C13_CNnoesy_manual.149 folded + assi (attr store1 < 8.087 and attr store1 > 7.987 ) ((attr store1 < 2.403 and attr store1 > 2.343 ) and (bondedto (attr store1 < 125.747722631 and attr store1 > 124.947722631 ) or bondedto (attr store1 < 78.005 and attr store1 > 77.205 ) or bondedto (attr store1 < 30.2622773688 and attr store1 > 29.4622773688 ))) 6 0.1 0.1 peak 149 volume 49.77004 ppm1 2.373 ppm2 8.037 ! ############### C13_CNnoesy_manual.150 folded + assi (attr store1 < 4.378 and attr store1 > 4.278 ) ((attr store1 < 2.402 and attr store1 > 2.342 ) and (bondedto (attr store1 < 125.735722631 and attr store1 > 124.935722631 ) or bondedto (attr store1 < 77.993 and attr store1 > 77.193 ) or bondedto (attr store1 < 30.2502773688 and attr store1 > 29.4502773688 ))) 6 0.1 0.1 peak 150 volume 30.36903 ppm1 2.372 ppm2 4.328 ! ############### C13_CNnoesy_manual.151 folded + assi (attr store1 < 4.232 and attr store1 > 4.132 ) ((attr store1 < 2.402 and attr store1 > 2.342 ) and (bondedto (attr store1 < 125.754722631 and attr store1 > 124.954722631 ) or bondedto (attr store1 < 78.012 and attr store1 > 77.212 ) or bondedto (attr store1 < 30.2692773688 and attr store1 > 29.4692773688 ))) 6 0.1 0.1 peak 151 volume 46.27356 ppm1 2.372 ppm2 4.182 ! ############### C13_CNnoesy_manual.152 folded + assi (attr store1 < 2.586 and attr store1 > 2.486 ) ((attr store1 < 2.404 and attr store1 > 2.344 ) and (bondedto (attr store1 < 125.726722631 and attr store1 > 124.926722631 ) or bondedto (attr store1 < 77.984 and attr store1 > 77.184 ) or bondedto (attr store1 < 30.2412773688 and attr store1 > 29.4412773688 ))) 6 0.1 0.1 peak 152 volume 94.74993 ppm1 2.374 ppm2 2.536 ! ############### C13_CNnoesy_manual.153 folded + assi (attr store1 < 2.42 and attr store1 > 2.32 ) ((attr store1 < 2.404 and attr store1 > 2.344 ) and (bondedto (attr store1 < 125.729722631 and attr store1 > 124.929722631 ) or bondedto (attr store1 < 77.987 and attr store1 > 77.187 ) or bondedto (attr store1 < 30.2442773688 and attr store1 > 29.4442773688 ))) 6 0.1 0.1 peak 153 volume 529.86072 ppm1 2.374 ppm2 2.370 ! ############### C13_CNnoesy_manual.154 folded + assi (attr store1 < 7.722 and attr store1 > 7.622 ) ((attr store1 < 2.223 and attr store1 > 2.163 ) and (bondedto (attr store1 < 125.686722631 and attr store1 > 124.886722631 ) or bondedto (attr store1 < 77.944 and attr store1 > 77.144 ) or bondedto (attr store1 < 30.2012773688 and attr store1 > 29.4012773688 ))) 6 0.1 0.1 peak 154 volume 13.89346 ppm1 2.193 ppm2 7.672 ! ############### C13_CNnoesy_manual.155 folded + assi (attr store1 < 4.161 and attr store1 > 4.061 ) ((attr store1 < 2.222 and attr store1 > 2.162 ) and (bondedto (attr store1 < 125.729722631 and attr store1 > 124.929722631 ) or bondedto (attr store1 < 77.987 and attr store1 > 77.187 ) or bondedto (attr store1 < 30.2442773688 and attr store1 > 29.4442773688 ))) 6 0.1 0.1 peak 155 volume 47.12460 ppm1 2.192 ppm2 4.111 ! ############### C13_CNnoesy_manual.156 folded + assi (attr store1 < 2.823 and attr store1 > 2.723 ) ((attr store1 < 2.222 and attr store1 > 2.162 ) and (bondedto (attr store1 < 125.710722631 and attr store1 > 124.910722631 ) or bondedto (attr store1 < 77.968 and attr store1 > 77.168 ) or bondedto (attr store1 < 30.2252773688 and attr store1 > 29.4252773688 ))) 6 0.1 0.1 peak 156 volume 25.87295 ppm1 2.192 ppm2 2.773 ! ############### C13_CNnoesy_manual.157 folded + assi (attr store1 < 4.166 and attr store1 > 4.066 ) ((attr store1 < 4.174 and attr store1 > 4.114 ) and (bondedto (attr store1 < 125.627722631 and attr store1 > 124.827722631 ) or bondedto (attr store1 < 77.885 and attr store1 > 77.085 ) or bondedto (attr store1 < 30.1422773688 and attr store1 > 29.3422773688 ))) 6 0.1 0.1 peak 157 volume 11.43590 ppm1 4.144 ppm2 4.116 ! ############### C13_CNnoesy_manual.158 folded + assi (attr store1 < 2.501 and attr store1 > 2.401 ) ((attr store1 < 2.485 and attr store1 > 2.425 ) and (bondedto (attr store1 < 125.659722631 and attr store1 > 124.859722631 ) or bondedto (attr store1 < 77.917 and attr store1 > 77.117 ) or bondedto (attr store1 < 30.1742773688 and attr store1 > 29.3742773688 ))) 6 0.1 0.1 peak 158 volume 249.11546 ppm1 2.455 ppm2 2.451 ! ############### C13_CNnoesy_manual.159 folded + assi (attr store1 < 2.255 and attr store1 > 2.155 ) ((attr store1 < 2.489 and attr store1 > 2.429 ) and (bondedto (attr store1 < 125.615722631 and attr store1 > 124.815722631 ) or bondedto (attr store1 < 77.873 and attr store1 > 77.073 ) or bondedto (attr store1 < 30.1302773688 and attr store1 > 29.3302773688 ))) 6 0.1 0.1 peak 159 volume 247.61531 ppm1 2.459 ppm2 2.205 ! ############### C13_CNnoesy_manual.160 folded + assi (attr store1 < 2.501 and attr store1 > 2.401 ) ((attr store1 < 2.24 and attr store1 > 2.18 ) and (bondedto (attr store1 < 125.603722631 and attr store1 > 124.803722631 ) or bondedto (attr store1 < 77.861 and attr store1 > 77.061 ) or bondedto (attr store1 < 30.1182773688 and attr store1 > 29.3182773688 ))) 6 0.1 0.1 peak 160 volume 346.99850 ppm1 2.210 ppm2 2.451 ! ############### C13_CNnoesy_manual.161 folded + assi (attr store1 < 2.259 and attr store1 > 2.159 ) ((attr store1 < 2.24 and attr store1 > 2.18 ) and (bondedto (attr store1 < 125.613722631 and attr store1 > 124.813722631 ) or bondedto (attr store1 < 77.871 and attr store1 > 77.071 ) or bondedto (attr store1 < 30.1282773688 and attr store1 > 29.3282773688 ))) 6 0.1 0.1 peak 161 volume 1866.45593 ppm1 2.210 ppm2 2.209 ! ############### C13_CNnoesy_manual.162 folded - assi (attr store1 < 6.813 and attr store1 > 6.713 ) ((attr store1 < 4.218 and attr store1 > 4.158 ) and (bondedto (attr store1 < 149.480083947 and attr store1 > 148.680083947 ) or bondedto (attr store1 < 53.9946386844 and attr store1 > 53.1946386844 ))) 6 0.1 0.1 peak 162 volume 15.74576 ppm1 4.188 ppm2 6.763 ! ############### C13_CNnoesy_manual.163 folded - assi (attr store1 < 4.242 and attr store1 > 4.142 ) ((attr store1 < 4.22 and attr store1 > 4.16 ) and (bondedto (attr store1 < 149.492083947 and attr store1 > 148.692083947 ) or bondedto (attr store1 < 54.0066386844 and attr store1 > 53.2066386844 ))) 6 0.1 0.1 peak 163 volume 332.7807 ppm1 4.190 ppm2 4.192 ! ############### C13_CNnoesy_manual.164 folded - assi (attr store1 < 3.666 and attr store1 > 3.566 ) ((attr store1 < 4.218 and attr store1 > 4.158 ) and (bondedto (attr store1 < 149.491083947 and attr store1 > 148.691083947 ) or bondedto (attr store1 < 54.0056386844 and attr store1 > 53.2056386844 ))) 6 0.1 0.1 peak 164 volume 91.0918 ppm1 4.188 ppm2 3.616 ! ############### C13_CNnoesy_manual.165 folded - assi (attr store1 < 3.071 and attr store1 > 2.971 ) ((attr store1 < 4.219 and attr store1 > 4.159 ) and (bondedto (attr store1 < 149.474083947 and attr store1 > 148.674083947 ) or bondedto (attr store1 < 53.9886386844 and attr store1 > 53.1886386844 ))) 6 0.1 0.1 peak 165 volume 13.91313 ppm1 4.189 ppm2 3.021 ! ############### C13_CNnoesy_manual.166 folded - assi (attr store1 < 1.743 and attr store1 > 1.643 ) ((attr store1 < 4.218 and attr store1 > 4.158 ) and (bondedto (attr store1 < 149.476083947 and attr store1 > 148.676083947 ) or bondedto (attr store1 < 53.9906386844 and attr store1 > 53.1906386844 ))) 6 0.1 0.1 peak 166 volume 50.34903 ppm1 4.188 ppm2 1.693 ! ############### C13_CNnoesy_manual.167 folded - assi (attr store1 < 1.383 and attr store1 > 1.283 ) ((attr store1 < 4.217 and attr store1 > 4.157 ) and (bondedto (attr store1 < 149.503083947 and attr store1 > 148.703083947 ) or bondedto (attr store1 < 54.0176386844 and attr store1 > 53.2176386844 ))) 6 0.1 0.1 peak 167 volume 49.84471 ppm1 4.187 ppm2 1.333 ! ############### C13_CNnoesy_manual.168 folded - assi (attr store1 < 0.867 and attr store1 > 0.767 ) ((attr store1 < 4.218 and attr store1 > 4.158 ) and (bondedto (attr store1 < 149.492083947 and attr store1 > 148.692083947 ) or bondedto (attr store1 < 54.0066386844 and attr store1 > 53.2066386844 ))) 6 0.1 0.1 peak 168 volume 8.12432 ppm1 4.188 ppm2 0.817 ! ############### C13_CNnoesy_manual.169 folded - assi (attr store1 < 0.356 and attr store1 > 0.256 ) ((attr store1 < 4.221 and attr store1 > 4.161 ) and (bondedto (attr store1 < 149.524083947 and attr store1 > 148.724083947 ) or bondedto (attr store1 < 54.0386386844 and attr store1 > 53.2386386844 ))) 6 0.1 0.1 peak 169 volume 7.58267 ppm1 4.191 ppm2 0.306 ! ############### C13_CNnoesy_manual.170 folded + assi (attr store1 < 8.013 and attr store1 > 7.913 ) ((attr store1 < 7.994 and attr store1 > 7.934 ) and (bondedto (attr store1 < 125.521722631 and attr store1 > 124.721722631 ) or bondedto (attr store1 < 77.779 and attr store1 > 76.979 ) or bondedto (attr store1 < 30.0362773688 and attr store1 > 29.2362773688 ))) 6 0.1 0.1 peak 170 volume 51.36124 ppm1 7.964 ppm2 7.963 ! ############### C13_CNnoesy_manual.171 folded + assi (attr store1 < 2.132 and attr store1 > 2.032 ) ((attr store1 < 2.49 and attr store1 > 2.43 ) and (bondedto (attr store1 < 125.543722631 and attr store1 > 124.743722631 ) or bondedto (attr store1 < 77.801 and attr store1 > 77.001 ) or bondedto (attr store1 < 30.0582773688 and attr store1 > 29.2582773688 ))) 6 0.1 0.1 peak 171 volume 138.97466 ppm1 2.460 ppm2 2.082 ! ############### C13_CNnoesy_manual.172 folded + assi (attr store1 < 1.104 and attr store1 > 1.004 ) ((attr store1 < 2.261 and attr store1 > 2.201 ) and (bondedto (attr store1 < 125.535722631 and attr store1 > 124.735722631 ) or bondedto (attr store1 < 77.793 and attr store1 > 76.993 ) or bondedto (attr store1 < 30.0502773688 and attr store1 > 29.2502773688 ))) 6 0.1 0.1 peak 172 volume 14.08507 ppm1 2.231 ppm2 1.054 ! ############### C13_CNnoesy_manual.173 folded + assi (attr store1 < 2.127 and attr store1 > 2.027 ) ((attr store1 < 2.248 and attr store1 > 2.188 ) and (bondedto (attr store1 < 125.532722631 and attr store1 > 124.732722631 ) or bondedto (attr store1 < 77.79 and attr store1 > 76.99 ) or bondedto (attr store1 < 30.0472773688 and attr store1 > 29.2472773688 ))) 6 0.1 0.1 peak 173 volume 808.06091 ppm1 2.218 ppm2 2.077 ! ############### C13_CNnoesy_manual.174 folded + assi (attr store1 < 2.497 and attr store1 > 2.397 ) ((attr store1 < 2.146 and attr store1 > 2.086 ) and (bondedto (attr store1 < 125.479722631 and attr store1 > 124.679722631 ) or bondedto (attr store1 < 77.737 and attr store1 > 76.937 ) or bondedto (attr store1 < 29.9942773688 and attr store1 > 29.1942773688 ))) 6 0.1 0.1 peak 174 volume 123.99084 ppm1 2.116 ppm2 2.447 ! ############### C13_CNnoesy_manual.175 folded + assi (attr store1 < 2.505 and attr store1 > 2.405 ) ((attr store1 < 2.092 and attr store1 > 2.032 ) and (bondedto (attr store1 < 125.531722631 and attr store1 > 124.731722631 ) or bondedto (attr store1 < 77.789 and attr store1 > 76.989 ) or bondedto (attr store1 < 30.0462773688 and attr store1 > 29.2462773688 ))) 6 0.1 0.1 peak 175 volume 141.57927 ppm1 2.062 ppm2 2.455 ! ############### C13_CNnoesy_manual.176 folded + assi (attr store1 < 2.264 and attr store1 > 2.164 ) ((attr store1 < 2.093 and attr store1 > 2.033 ) and (bondedto (attr store1 < 125.548722631 and attr store1 > 124.748722631 ) or bondedto (attr store1 < 77.806 and attr store1 > 77.006 ) or bondedto (attr store1 < 30.0632773688 and attr store1 > 29.2632773688 ))) 6 0.1 0.1 peak 176 volume 629.98041 ppm1 2.063 ppm2 2.214 ! ############### C13_CNnoesy_manual.177 folded + assi (attr store1 < 2.116 and attr store1 > 2.016 ) ((attr store1 < 2.1 and attr store1 > 2.04 ) and (bondedto (attr store1 < 125.500722631 and attr store1 > 124.700722631 ) or bondedto (attr store1 < 77.758 and attr store1 > 76.958 ) or bondedto (attr store1 < 30.0152773688 and attr store1 > 29.2152773688 ))) 6 0.1 0.1 peak 177 volume 1300.15759 ppm1 2.070 ppm2 2.066 ! ############### C13_CNnoesy_manual.178 folded + assi (attr store1 < 3.406 and attr store1 > 3.306 ) ((attr store1 < 2.042 and attr store1 > 1.982 ) and (bondedto (attr store1 < 125.504722631 and attr store1 > 124.704722631 ) or bondedto (attr store1 < 77.762 and attr store1 > 76.962 ) or bondedto (attr store1 < 30.0192773688 and attr store1 > 29.2192773688 ))) 6 0.1 0.1 peak 178 volume 9.62354 ppm1 2.012 ppm2 3.356 ! ############### C13_CNnoesy_manual.179 folded + assi (attr store1 < 3.382 and attr store1 > 3.282 ) ((attr store1 < 1.989 and attr store1 > 1.929 ) and (bondedto (attr store1 < 125.499722631 and attr store1 > 124.699722631 ) or bondedto (attr store1 < 77.757 and attr store1 > 76.957 ) or bondedto (attr store1 < 30.0142773688 and attr store1 > 29.2142773688 ))) 6 0.1 0.1 peak 179 volume 11.61729 ppm1 1.959 ppm2 3.332 ! ############### C13_CNnoesy_manual.180 folded + assi (attr store1 < 2.049 and attr store1 > 1.949 ) ((attr store1 < 1.84 and attr store1 > 1.78 ) and (bondedto (attr store1 < 125.525722631 and attr store1 > 124.725722631 ) or bondedto (attr store1 < 77.783 and attr store1 > 76.983 ) or bondedto (attr store1 < 30.0402773688 and attr store1 > 29.2402773688 ))) 6 0.1 0.1 peak 180 volume 170.57014 ppm1 1.810 ppm2 1.999 ! ############### C13_CNnoesy_manual.181 folded + assi (attr store1 < 8.466 and attr store1 > 8.366 ) ((attr store1 < 1.834 and attr store1 > 1.774 ) and (bondedto (attr store1 < 125.491722631 and attr store1 > 124.691722631 ) or bondedto (attr store1 < 77.749 and attr store1 > 76.949 ) or bondedto (attr store1 < 30.0062773688 and attr store1 > 29.2062773688 ))) 6 0.1 0.1 peak 181 volume 11.26193 ppm1 1.804 ppm2 8.416 ! ############### C13_CNnoesy_manual.182 folded + assi (attr store1 < 7.056 and attr store1 > 6.956 ) ((attr store1 < 2.266 and attr store1 > 2.206 ) and (bondedto (attr store1 < 125.435722631 and attr store1 > 124.635722631 ) or bondedto (attr store1 < 77.693 and attr store1 > 76.893 ) or bondedto (attr store1 < 29.9502773688 and attr store1 > 29.1502773688 ))) 6 0.1 0.1 peak 182 volume 11.47833 ppm1 2.236 ppm2 7.006 ! ############### C13_CNnoesy_manual.183 folded + assi (attr store1 < 7.054 and attr store1 > 6.954 ) ((attr store1 < 2.142 and attr store1 > 2.082 ) and (bondedto (attr store1 < 125.435722631 and attr store1 > 124.635722631 ) or bondedto (attr store1 < 77.693 and attr store1 > 76.893 ) or bondedto (attr store1 < 29.9502773688 and attr store1 > 29.1502773688 ))) 6 0.1 0.1 peak 183 volume 11.28570 ppm1 2.112 ppm2 7.004 ! ############### C13_CNnoesy_manual.184 folded + assi (attr store1 < 1.093 and attr store1 > 0.993 ) ((attr store1 < 2.141 and attr store1 > 2.081 ) and (bondedto (attr store1 < 125.438722631 and attr store1 > 124.638722631 ) or bondedto (attr store1 < 77.696 and attr store1 > 76.896 ) or bondedto (attr store1 < 29.9532773688 and attr store1 > 29.1532773688 ))) 6 0.1 0.1 peak 184 volume 14.90298 ppm1 2.111 ppm2 1.043 ! ############### C13_CNnoesy_manual.185 folded + assi (attr store1 < 4.32 and attr store1 > 4.22 ) ((attr store1 < 2.138 and attr store1 > 2.078 ) and (bondedto (attr store1 < 125.448722631 and attr store1 > 124.648722631 ) or bondedto (attr store1 < 77.706 and attr store1 > 76.906 ) or bondedto (attr store1 < 29.9632773688 and attr store1 > 29.1632773688 ))) 6 0.1 0.1 peak 185 volume 48.37976 ppm1 2.108 ppm2 4.270 ! ############### C13_CNnoesy_manual.186 folded + assi (attr store1 < 4.352 and attr store1 > 4.252 ) ((attr store1 < 2.041 and attr store1 > 1.981 ) and (bondedto (attr store1 < 125.468722631 and attr store1 > 124.668722631 ) or bondedto (attr store1 < 77.726 and attr store1 > 76.926 ) or bondedto (attr store1 < 29.9832773688 and attr store1 > 29.1832773688 ))) 6 0.1 0.1 peak 186 volume 26.83047 ppm1 2.011 ppm2 4.302 ! ############### C13_CNnoesy_manual.187 folded + assi (attr store1 < 4.348 and attr store1 > 4.248 ) ((attr store1 < 1.982 and attr store1 > 1.922 ) and (bondedto (attr store1 < 125.444722631 and attr store1 > 124.644722631 ) or bondedto (attr store1 < 77.702 and attr store1 > 76.902 ) or bondedto (attr store1 < 29.9592773688 and attr store1 > 29.1592773688 ))) 6 0.1 0.1 peak 187 volume 26.83199 ppm1 1.952 ppm2 4.298 ! ############### C13_CNnoesy_manual.188 folded + assi (attr store1 < 2.014 and attr store1 > 1.914 ) ((attr store1 < 1.973 and attr store1 > 1.913 ) and (bondedto (attr store1 < 125.437722631 and attr store1 > 124.637722631 ) or bondedto (attr store1 < 77.695 and attr store1 > 76.895 ) or bondedto (attr store1 < 29.9522773688 and attr store1 > 29.1522773688 ))) 6 0.1 0.1 peak 188 volume 368.53152 ppm1 1.943 ppm2 1.964 ! ############### C13_CNnoesy_manual.189 folded + assi (attr store1 < 2.233 and attr store1 > 2.133 ) ((attr store1 < 1.948 and attr store1 > 1.888 ) and (bondedto (attr store1 < 125.425722631 and attr store1 > 124.625722631 ) or bondedto (attr store1 < 77.683 and attr store1 > 76.883 ) or bondedto (attr store1 < 29.9402773688 and attr store1 > 29.1402773688 ))) 6 0.1 0.1 peak 189 volume 46.41539 ppm1 1.918 ppm2 2.183 ! ############### C13_CNnoesy_manual.190 folded + assi (attr store1 < 1.979 and attr store1 > 1.879 ) ((attr store1 < 1.952 and attr store1 > 1.892 ) and (bondedto (attr store1 < 125.414722631 and attr store1 > 124.614722631 ) or bondedto (attr store1 < 77.672 and attr store1 > 76.872 ) or bondedto (attr store1 < 29.9292773688 and attr store1 > 29.1292773688 ))) 6 0.1 0.1 peak 190 volume 291.98907 ppm1 1.922 ppm2 1.929 ! ############### C13_CNnoesy_manual.191 folded + assi (attr store1 < 2.236 and attr store1 > 2.136 ) ((attr store1 < 1.242 and attr store1 > 1.182 ) and (bondedto (attr store1 < 125.398722631 and attr store1 > 124.598722631 ) or bondedto (attr store1 < 77.656 and attr store1 > 76.856 ) or bondedto (attr store1 < 29.9132773688 and attr store1 > 29.1132773688 ))) 6 0.1 0.1 peak 191 volume 22.02139 ppm1 1.212 ppm2 2.186 ! ############### C13_CNnoesy_manual.192 folded + assi (attr store1 < 1.085 and attr store1 > 0.985 ) ((attr store1 < 1.06 and attr store1 > 1.0 ) and (bondedto (attr store1 < 125.470722631 and attr store1 > 124.670722631 ) or bondedto (attr store1 < 77.728 and attr store1 > 76.928 ) or bondedto (attr store1 < 29.9852773688 and attr store1 > 29.1852773688 ))) 6 0.1 0.1 peak 192 volume 173.58694 ppm1 1.030 ppm2 1.035 ! ############### C13_CNnoesy_manual.193 folded + assi (attr store1 < 3.413 and attr store1 > 3.313 ) ((attr store1 < 3.398 and attr store1 > 3.338 ) and (bondedto (attr store1 < 125.291722631 and attr store1 > 124.491722631 ) or bondedto (attr store1 < 77.549 and attr store1 > 76.749 ) or bondedto (attr store1 < 29.8062773688 and attr store1 > 29.0062773688 ))) 6 0.1 0.1 peak 193 volume 79.94444 ppm1 3.368 ppm2 3.363 ! ############### C13_CNnoesy_manual.194 folded + assi (attr store1 < 8.228 and attr store1 > 8.128 ) ((attr store1 < 1.945 and attr store1 > 1.885 ) and (bondedto (attr store1 < 125.367722631 and attr store1 > 124.567722631 ) or bondedto (attr store1 < 77.625 and attr store1 > 76.825 ) or bondedto (attr store1 < 29.8822773688 and attr store1 > 29.0822773688 ))) 6 0.1 0.1 peak 194 volume 30.81830 ppm1 1.915 ppm2 8.178 ! ############### C13_CNnoesy_manual.195 folded + assi (attr store1 < 1.261 and attr store1 > 1.161 ) ((attr store1 < 1.945 and attr store1 > 1.885 ) and (bondedto (attr store1 < 125.367722631 and attr store1 > 124.567722631 ) or bondedto (attr store1 < 77.625 and attr store1 > 76.825 ) or bondedto (attr store1 < 29.8822773688 and attr store1 > 29.0822773688 ))) 6 0.1 0.1 peak 195 volume 130.95938 ppm1 1.915 ppm2 1.211 ! ############### C13_CNnoesy_manual.196 folded + assi (attr store1 < 0.938 and attr store1 > 0.838 ) ((attr store1 < 1.944 and attr store1 > 1.884 ) and (bondedto (attr store1 < 125.368722631 and attr store1 > 124.568722631 ) or bondedto (attr store1 < 77.626 and attr store1 > 76.826 ) or bondedto (attr store1 < 29.8832773688 and attr store1 > 29.0832773688 ))) 6 0.1 0.1 peak 196 volume 58.74506 ppm1 1.914 ppm2 0.888 ! ############### C13_CNnoesy_manual.197 folded + assi (attr store1 < 3.869 and attr store1 > 3.769 ) ((attr store1 < 1.941 and attr store1 > 1.881 ) and (bondedto (attr store1 < 125.364722631 and attr store1 > 124.564722631 ) or bondedto (attr store1 < 77.622 and attr store1 > 76.822 ) or bondedto (attr store1 < 29.8792773688 and attr store1 > 29.0792773688 ))) 6 0.1 0.1 peak 197 volume 24.60303 ppm1 1.911 ppm2 3.819 ! ############### C13_CNnoesy_manual.198 folded + assi (attr store1 < 4.186 and attr store1 > 4.086 ) ((attr store1 < 1.818 and attr store1 > 1.758 ) and (bondedto (attr store1 < 125.347722631 and attr store1 > 124.547722631 ) or bondedto (attr store1 < 77.605 and attr store1 > 76.805 ) or bondedto (attr store1 < 29.8622773688 and attr store1 > 29.0622773688 ))) 6 0.1 0.1 peak 198 volume 30.09815 ppm1 1.788 ppm2 4.136 ! ############### C13_CNnoesy_manual.199 folded + assi (attr store1 < 3.869 and attr store1 > 3.769 ) ((attr store1 < 1.24 and attr store1 > 1.18 ) and (bondedto (attr store1 < 125.352722631 and attr store1 > 124.552722631 ) or bondedto (attr store1 < 77.61 and attr store1 > 76.81 ) or bondedto (attr store1 < 29.8672773688 and attr store1 > 29.0672773688 ))) 6 0.1 0.1 peak 199 volume 28.27549 ppm1 1.210 ppm2 3.819 ! ############### C13_CNnoesy_manual.200 folded + assi (attr store1 < 1.964 and attr store1 > 1.864 ) ((attr store1 < 1.242 and attr store1 > 1.182 ) and (bondedto (attr store1 < 125.379722631 and attr store1 > 124.579722631 ) or bondedto (attr store1 < 77.637 and attr store1 > 76.837 ) or bondedto (attr store1 < 29.8942773688 and attr store1 > 29.0942773688 ))) 6 0.1 0.1 peak 200 volume 127.40549 ppm1 1.212 ppm2 1.914 ! ############### C13_CNnoesy_manual.201 folded + assi (attr store1 < 1.262 and attr store1 > 1.162 ) ((attr store1 < 1.244 and attr store1 > 1.184 ) and (bondedto (attr store1 < 125.350722631 and attr store1 > 124.550722631 ) or bondedto (attr store1 < 77.608 and attr store1 > 76.808 ) or bondedto (attr store1 < 29.8652773688 and attr store1 > 29.0652773688 ))) 6 0.1 0.1 peak 201 volume 209.31793 ppm1 1.214 ppm2 1.212 ! ############### C13_CNnoesy_manual.202 folded + assi (attr store1 < 1.096 and attr store1 > 0.996 ) ((attr store1 < 1.241 and attr store1 > 1.181 ) and (bondedto (attr store1 < 125.365722631 and attr store1 > 124.565722631 ) or bondedto (attr store1 < 77.623 and attr store1 > 76.823 ) or bondedto (attr store1 < 29.8802773688 and attr store1 > 29.0802773688 ))) 6 0.1 0.1 peak 202 volume 39.63405 ppm1 1.211 ppm2 1.046 ! ############### C13_CNnoesy_manual.203 folded + assi (attr store1 < 8.225 and attr store1 > 8.125 ) ((attr store1 < 1.239 and attr store1 > 1.179 ) and (bondedto (attr store1 < 125.350722631 and attr store1 > 124.550722631 ) or bondedto (attr store1 < 77.608 and attr store1 > 76.808 ) or bondedto (attr store1 < 29.8652773688 and attr store1 > 29.0652773688 ))) 6 0.1 0.1 peak 203 volume 17.75161 ppm1 1.209 ppm2 8.175 ! ############### C13_CNnoesy_manual.204 folded + assi (attr store1 < 0.936 and attr store1 > 0.836 ) ((attr store1 < 1.24 and attr store1 > 1.18 ) and (bondedto (attr store1 < 125.369722631 and attr store1 > 124.569722631 ) or bondedto (attr store1 < 77.627 and attr store1 > 76.827 ) or bondedto (attr store1 < 29.8842773688 and attr store1 > 29.0842773688 ))) 6 0.1 0.1 peak 204 volume 62.52313 ppm1 1.210 ppm2 0.886 ! ############### C13_CNnoesy_manual.205 folded - assi (attr store1 < 3.074 and attr store1 > 2.974 ) ((attr store1 < 3.051 and attr store1 > 2.991 ) and (bondedto (attr store1 < 149.238083947 and attr store1 > 148.438083947 ) or bondedto (attr store1 < 53.7526386844 and attr store1 > 52.9526386844 ))) 6 0.1 0.1 peak 205 volume 53.22149 ppm1 3.021 ppm2 3.024 ! ############### C13_CNnoesy_manual.206 folded - assi (attr store1 < 1.18 and attr store1 > 1.08 ) ((attr store1 < 1.163 and attr store1 > 1.103 ) and (bondedto (attr store1 < 149.192083947 and attr store1 > 148.392083947 ) or bondedto (attr store1 < 53.7066386844 and attr store1 > 52.9066386844 ))) 6 0.1 0.1 peak 206 volume 42.45633 ppm1 1.133 ppm2 1.130 ! ############### C13_CNnoesy_manual.207 folded + assi (attr store1 < 2.655 and attr store1 > 2.555 ) ((attr store1 < 2.439 and attr store1 > 2.379 ) and (bondedto (attr store1 < 125.258722631 and attr store1 > 124.458722631 ) or bondedto (attr store1 < 77.516 and attr store1 > 76.716 ) or bondedto (attr store1 < 29.7732773688 and attr store1 > 28.9732773688 ))) 6 0.1 0.1 peak 207 volume 96.48462 ppm1 2.409 ppm2 2.605 ! ############### C13_CNnoesy_manual.208 folded + assi (attr store1 < 7.852 and attr store1 > 7.752 ) ((attr store1 < 2.435 and attr store1 > 2.375 ) and (bondedto (attr store1 < 125.252722631 and attr store1 > 124.452722631 ) or bondedto (attr store1 < 77.51 and attr store1 > 76.71 ) or bondedto (attr store1 < 29.7672773688 and attr store1 > 28.9672773688 ))) 6 0.1 0.1 peak 208 volume 9.56285 ppm1 2.405 ppm2 7.802 ! ############### C13_CNnoesy_manual.209 folded + assi (attr store1 < 4.44 and attr store1 > 4.34 ) ((attr store1 < 2.433 and attr store1 > 2.373 ) and (bondedto (attr store1 < 125.248722631 and attr store1 > 124.448722631 ) or bondedto (attr store1 < 77.506 and attr store1 > 76.706 ) or bondedto (attr store1 < 29.7632773688 and attr store1 > 28.9632773688 ))) 6 0.1 0.1 peak 209 volume 30.32195 ppm1 2.403 ppm2 4.390 ! ############### C13_CNnoesy_manual.210 folded + assi (attr store1 < 2.313 and attr store1 > 2.213 ) ((attr store1 < 2.434 and attr store1 > 2.374 ) and (bondedto (attr store1 < 125.280722631 and attr store1 > 124.480722631 ) or bondedto (attr store1 < 77.538 and attr store1 > 76.738 ) or bondedto (attr store1 < 29.7952773688 and attr store1 > 28.9952773688 ))) 6 0.1 0.1 peak 210 volume 183.77365 ppm1 2.404 ppm2 2.263 ! ############### C13_CNnoesy_manual.211 folded + assi (attr store1 < 7.847 and attr store1 > 7.747 ) ((attr store1 < 2.286 and attr store1 > 2.226 ) and (bondedto (attr store1 < 125.258722631 and attr store1 > 124.458722631 ) or bondedto (attr store1 < 77.516 and attr store1 > 76.716 ) or bondedto (attr store1 < 29.7732773688 and attr store1 > 28.9732773688 ))) 6 0.1 0.1 peak 211 volume 13.48100 ppm1 2.256 ppm2 7.797 ! ############### C13_CNnoesy_manual.212 folded + assi (attr store1 < 4.449 and attr store1 > 4.349 ) ((attr store1 < 2.286 and attr store1 > 2.226 ) and (bondedto (attr store1 < 125.272722631 and attr store1 > 124.472722631 ) or bondedto (attr store1 < 77.53 and attr store1 > 76.73 ) or bondedto (attr store1 < 29.7872773688 and attr store1 > 28.9872773688 ))) 6 0.1 0.1 peak 212 volume 27.71476 ppm1 2.256 ppm2 4.399 ! ############### C13_CNnoesy_manual.213 folded + assi (attr store1 < 2.655 and attr store1 > 2.555 ) ((attr store1 < 2.287 and attr store1 > 2.227 ) and (bondedto (attr store1 < 125.259722631 and attr store1 > 124.459722631 ) or bondedto (attr store1 < 77.517 and attr store1 > 76.717 ) or bondedto (attr store1 < 29.7742773688 and attr store1 > 28.9742773688 ))) 6 0.1 0.1 peak 213 volume 81.91368 ppm1 2.257 ppm2 2.605 ! ############### C13_CNnoesy_manual.214 folded + assi (attr store1 < 3.11 and attr store1 > 3.01 ) ((attr store1 < 1.806 and attr store1 > 1.746 ) and (bondedto (attr store1 < 125.206722631 and attr store1 > 124.406722631 ) or bondedto (attr store1 < 77.464 and attr store1 > 76.664 ) or bondedto (attr store1 < 29.7212773688 and attr store1 > 28.9212773688 ))) 6 0.1 0.1 peak 214 volume 95.04892 ppm1 1.776 ppm2 3.060 ! ############### C13_CNnoesy_manual.215 folded + assi (attr store1 < 3.249 and attr store1 > 3.149 ) ((attr store1 < 3.239 and attr store1 > 3.179 ) and (bondedto (attr store1 < 125.161722631 and attr store1 > 124.361722631 ) or bondedto (attr store1 < 77.419 and attr store1 > 76.619 ) or bondedto (attr store1 < 29.6762773688 and attr store1 > 28.8762773688 ))) 6 0.1 0.1 peak 215 volume 297.07907 ppm1 3.209 ppm2 3.199 ! ############### C13_CNnoesy_manual.216 folded + assi (attr store1 < 4.607 and attr store1 > 4.507 ) ((attr store1 < 3.229 and attr store1 > 3.169 ) and (bondedto (attr store1 < 125.150722631 and attr store1 > 124.350722631 ) or bondedto (attr store1 < 77.408 and attr store1 > 76.608 ) or bondedto (attr store1 < 29.6652773688 and attr store1 > 28.8652773688 ))) 6 0.1 0.1 peak 216 volume 49.48137 ppm1 3.199 ppm2 4.557 ! ############### C13_CNnoesy_manual.217 folded + assi (attr store1 < 7.079 and attr store1 > 6.979 ) ((attr store1 < 3.219 and attr store1 > 3.159 ) and (bondedto (attr store1 < 125.134722631 and attr store1 > 124.334722631 ) or bondedto (attr store1 < 77.392 and attr store1 > 76.592 ) or bondedto (attr store1 < 29.6492773688 and attr store1 > 28.8492773688 ))) 6 0.1 0.1 peak 217 volume 13.26291 ppm1 3.189 ppm2 7.029 ! ############### C13_CNnoesy_manual.218 folded + assi (attr store1 < 1.998 and attr store1 > 1.898 ) ((attr store1 < 1.801 and attr store1 > 1.741 ) and (bondedto (attr store1 < 125.169722631 and attr store1 > 124.369722631 ) or bondedto (attr store1 < 77.427 and attr store1 > 76.627 ) or bondedto (attr store1 < 29.6842773688 and attr store1 > 28.8842773688 ))) 6 0.1 0.1 peak 218 volume 194.14859 ppm1 1.771 ppm2 1.948 ! ############### C13_CNnoesy_manual.219 folded + assi (attr store1 < 1.823 and attr store1 > 1.723 ) ((attr store1 < 1.803 and attr store1 > 1.743 ) and (bondedto (attr store1 < 125.155722631 and attr store1 > 124.355722631 ) or bondedto (attr store1 < 77.413 and attr store1 > 76.613 ) or bondedto (attr store1 < 29.6702773688 and attr store1 > 28.8702773688 ))) 6 0.1 0.1 peak 219 volume 11288.80664 ppm1 1.773 ppm2 1.773 ! ############### C13_CNnoesy_manual.220 folded + assi (attr store1 < 1.588 and attr store1 > 1.488 ) ((attr store1 < 1.802 and attr store1 > 1.742 ) and (bondedto (attr store1 < 125.134722631 and attr store1 > 124.334722631 ) or bondedto (attr store1 < 77.392 and attr store1 > 76.592 ) or bondedto (attr store1 < 29.6492773688 and attr store1 > 28.8492773688 ))) 6 0.1 0.1 peak 220 volume 952.99213 ppm1 1.772 ppm2 1.538 ! ############### C13_CNnoesy_manual.221 folded + assi (attr store1 < 2.293 and attr store1 > 2.193 ) ((attr store1 < 1.796 and attr store1 > 1.736 ) and (bondedto (attr store1 < 125.152722631 and attr store1 > 124.352722631 ) or bondedto (attr store1 < 77.41 and attr store1 > 76.61 ) or bondedto (attr store1 < 29.6672773688 and attr store1 > 28.8672773688 ))) 6 0.1 0.1 peak 221 volume 19.02265 ppm1 1.766 ppm2 2.243 ! ############### C13_CNnoesy_manual.222 folded + assi (attr store1 < 2.956 and attr store1 > 2.856 ) ((attr store1 < 1.66 and attr store1 > 1.6 ) and (bondedto (attr store1 < 125.159722631 and attr store1 > 124.359722631 ) or bondedto (attr store1 < 77.417 and attr store1 > 76.617 ) or bondedto (attr store1 < 29.6742773688 and attr store1 > 28.8742773688 ))) 6 0.1 0.1 peak 222 volume 49.95830 ppm1 1.630 ppm2 2.906 ! ############### C13_CNnoesy_manual.223 folded + assi (attr store1 < 1.681 and attr store1 > 1.581 ) ((attr store1 < 1.662 and attr store1 > 1.602 ) and (bondedto (attr store1 < 125.161722631 and attr store1 > 124.361722631 ) or bondedto (attr store1 < 77.419 and attr store1 > 76.619 ) or bondedto (attr store1 < 29.6762773688 and attr store1 > 28.8762773688 ))) 6 0.1 0.1 peak 223 volume 2742.55054 ppm1 1.632 ppm2 1.631 ! ############### C13_CNnoesy_manual.224 folded + assi (attr store1 < 1.51 and attr store1 > 1.41 ) ((attr store1 < 1.658 and attr store1 > 1.598 ) and (bondedto (attr store1 < 125.147722631 and attr store1 > 124.347722631 ) or bondedto (attr store1 < 77.405 and attr store1 > 76.605 ) or bondedto (attr store1 < 29.6622773688 and attr store1 > 28.8622773688 ))) 6 0.1 0.1 peak 224 volume 23.29238 ppm1 1.628 ppm2 1.460 ! ############### C13_CNnoesy_manual.225 folded + assi (attr store1 < 1.345 and attr store1 > 1.245 ) ((attr store1 < 1.662 and attr store1 > 1.602 ) and (bondedto (attr store1 < 125.155722631 and attr store1 > 124.355722631 ) or bondedto (attr store1 < 77.413 and attr store1 > 76.613 ) or bondedto (attr store1 < 29.6702773688 and attr store1 > 28.8702773688 ))) 6 0.1 0.1 peak 225 volume 119.30902 ppm1 1.632 ppm2 1.295 ! ############### C13_CNnoesy_manual.226 folded + assi (attr store1 < 1.062 and attr store1 > 0.962 ) ((attr store1 < 1.662 and attr store1 > 1.602 ) and (bondedto (attr store1 < 125.169722631 and attr store1 > 124.369722631 ) or bondedto (attr store1 < 77.427 and attr store1 > 76.627 ) or bondedto (attr store1 < 29.6842773688 and attr store1 > 28.8842773688 ))) 6 0.1 0.1 peak 226 volume 8.81395 ppm1 1.632 ppm2 1.012 ! ############### C13_CNnoesy_manual.227 folded + assi (attr store1 < 1.68 and attr store1 > 1.58 ) ((attr store1 < 1.337 and attr store1 > 1.277 ) and (bondedto (attr store1 < 125.150722631 and attr store1 > 124.350722631 ) or bondedto (attr store1 < 77.408 and attr store1 > 76.608 ) or bondedto (attr store1 < 29.6652773688 and attr store1 > 28.8652773688 ))) 6 0.1 0.1 peak 227 volume 33.62081 ppm1 1.307 ppm2 1.630 ! ############### C13_CNnoesy_manual.228 folded + assi (attr store1 < 1.679 and attr store1 > 1.579 ) ((attr store1 < 1.291 and attr store1 > 1.231 ) and (bondedto (attr store1 < 125.155722631 and attr store1 > 124.355722631 ) or bondedto (attr store1 < 77.413 and attr store1 > 76.613 ) or bondedto (attr store1 < 29.6702773688 and attr store1 > 28.8702773688 ))) 6 0.1 0.1 peak 228 volume 37.10081 ppm1 1.261 ppm2 1.629 ! ############### C13_CNnoesy_manual.229 folded + assi (attr store1 < 7.641 and attr store1 > 7.541 ) ((attr store1 < 7.339 and attr store1 > 7.279 ) and (bondedto (attr store1 < 125.074722631 and attr store1 > 124.274722631 ) or bondedto (attr store1 < 77.332 and attr store1 > 76.532 ) or bondedto (attr store1 < 29.5892773688 and attr store1 > 28.7892773688 ))) 6 0.1 0.1 peak 229 volume 114.32152 ppm1 7.309 ppm2 7.591 ! ############### C13_CNnoesy_manual.230 folded + assi (attr store1 < 7.359 and attr store1 > 7.259 ) ((attr store1 < 7.34 and attr store1 > 7.28 ) and (bondedto (attr store1 < 125.055722631 and attr store1 > 124.255722631 ) or bondedto (attr store1 < 77.313 and attr store1 > 76.513 ) or bondedto (attr store1 < 29.5702773688 and attr store1 > 28.7702773688 ))) 6 0.1 0.1 peak 230 volume 535.73004 ppm1 7.310 ppm2 7.309 ! ############### C13_CNnoesy_manual.231 folded + assi (attr store1 < 2.108 and attr store1 > 2.008 ) ((attr store1 < 2.245 and attr store1 > 2.185 ) and (bondedto (attr store1 < 124.982722631 and attr store1 > 124.182722631 ) or bondedto (attr store1 < 77.24 and attr store1 > 76.44 ) or bondedto (attr store1 < 29.4972773688 and attr store1 > 28.6972773688 ))) 6 0.1 0.1 peak 231 volume 628.29761 ppm1 2.215 ppm2 2.058 ! ############### C13_CNnoesy_manual.232 folded + assi (attr store1 < 2.264 and attr store1 > 2.164 ) ((attr store1 < 2.241 and attr store1 > 2.181 ) and (bondedto (attr store1 < 124.995722631 and attr store1 > 124.195722631 ) or bondedto (attr store1 < 77.253 and attr store1 > 76.453 ) or bondedto (attr store1 < 29.5102773688 and attr store1 > 28.7102773688 ))) 6 0.1 0.1 peak 232 volume 1428.15479 ppm1 2.211 ppm2 2.214 ! ############### C13_CNnoesy_manual.233 folded + assi (attr store1 < 2.263 and attr store1 > 2.163 ) ((attr store1 < 2.084 and attr store1 > 2.024 ) and (bondedto (attr store1 < 124.952722631 and attr store1 > 124.152722631 ) or bondedto (attr store1 < 77.21 and attr store1 > 76.41 ) or bondedto (attr store1 < 29.4672773688 and attr store1 > 28.6672773688 ))) 6 0.1 0.1 peak 233 volume 560.96271 ppm1 2.054 ppm2 2.213 ! ############### C13_CNnoesy_manual.234 folded + assi (attr store1 < 2.1 and attr store1 > 2.0 ) ((attr store1 < 2.083 and attr store1 > 2.023 ) and (bondedto (attr store1 < 124.941722631 and attr store1 > 124.141722631 ) or bondedto (attr store1 < 77.199 and attr store1 > 76.399 ) or bondedto (attr store1 < 29.4562773688 and attr store1 > 28.6562773688 ))) 6 0.1 0.1 peak 234 volume 1369.98840 ppm1 2.053 ppm2 2.050 ! ############### C13_CNnoesy_manual.235 folded + assi (attr store1 < 7.067 and attr store1 > 6.967 ) ((attr store1 < 1.833 and attr store1 > 1.773 ) and (bondedto (attr store1 < 124.959722631 and attr store1 > 124.159722631 ) or bondedto (attr store1 < 77.217 and attr store1 > 76.417 ) or bondedto (attr store1 < 29.4742773688 and attr store1 > 28.6742773688 ))) 6 0.1 0.1 peak 235 volume 9.58535 ppm1 1.803 ppm2 7.017 ! ############### C13_CNnoesy_manual.236 folded + assi (attr store1 < 4.363 and attr store1 > 4.263 ) ((attr store1 < 1.833 and attr store1 > 1.773 ) and (bondedto (attr store1 < 124.984722631 and attr store1 > 124.184722631 ) or bondedto (attr store1 < 77.242 and attr store1 > 76.442 ) or bondedto (attr store1 < 29.4992773688 and attr store1 > 28.6992773688 ))) 6 0.1 0.1 peak 236 volume 34.83292 ppm1 1.803 ppm2 4.313 ! ############### C13_CNnoesy_manual.237 folded + assi (attr store1 < 1.087 and attr store1 > 0.987 ) ((attr store1 < 1.832 and attr store1 > 1.772 ) and (bondedto (attr store1 < 125.000722631 and attr store1 > 124.200722631 ) or bondedto (attr store1 < 77.258 and attr store1 > 76.458 ) or bondedto (attr store1 < 29.5152773688 and attr store1 > 28.7152773688 ))) 6 0.1 0.1 peak 237 volume 43.44151 ppm1 1.802 ppm2 1.037 ! ############### C13_CNnoesy_manual.238 folded + assi (attr store1 < 0.958 and attr store1 > 0.858 ) ((attr store1 < 1.831 and attr store1 > 1.771 ) and (bondedto (attr store1 < 124.963722631 and attr store1 > 124.163722631 ) or bondedto (attr store1 < 77.221 and attr store1 > 76.421 ) or bondedto (attr store1 < 29.4782773688 and attr store1 > 28.6782773688 ))) 6 0.1 0.1 peak 238 volume 18.04412 ppm1 1.801 ppm2 0.908 ! ############### C13_CNnoesy_manual.239 folded - assi (attr store1 < 2.867 and attr store1 > 2.767 ) ((attr store1 < 2.846 and attr store1 > 2.786 ) and (bondedto (attr store1 < 148.842083947 and attr store1 > 148.042083947 ) or bondedto (attr store1 < 53.3566386844 and attr store1 > 52.5566386844 ))) 6 0.1 0.1 peak 239 volume 42.87459 ppm1 2.816 ppm2 2.817 ! ############### C13_CNnoesy_manual.240 folded + assi (attr store1 < 3.139 and attr store1 > 3.039 ) ((attr store1 < 3.117 and attr store1 > 3.057 ) and (bondedto (attr store1 < 124.872722631 and attr store1 > 124.072722631 ) or bondedto (attr store1 < 77.13 and attr store1 > 76.33 ) or bondedto (attr store1 < 29.3872773688 and attr store1 > 28.5872773688 ))) 6 0.1 0.1 peak 240 volume 47.98005 ppm1 3.087 ppm2 3.089 ! ############### C13_CNnoesy_manual.241 folded - assi (attr store1 < 1.386 and attr store1 > 1.286 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 148.706083947 and attr store1 > 147.906083947 ) or bondedto (attr store1 < 53.2206386844 and attr store1 > 52.4206386844 ))) 6 0.1 0.1 peak 241 volume 51.61178 ppm1 1.334 ppm2 1.336 ! ############### C13_CNnoesy_manual.242 folded + assi (attr store1 < 8.388 and attr store1 > 8.288 ) ((attr store1 < 3.491 and attr store1 > 3.431 ) and (bondedto (attr store1 < 124.782722631 and attr store1 > 123.982722631 ) or bondedto (attr store1 < 77.04 and attr store1 > 76.24 ) or bondedto (attr store1 < 29.2972773688 and attr store1 > 28.4972773688 ))) 6 0.1 0.1 peak 242 volume 16.52927 ppm1 3.461 ppm2 8.338 ! ############### C13_CNnoesy_manual.243 folded + assi (attr store1 < 8.04 and attr store1 > 7.94 ) ((attr store1 < 3.489 and attr store1 > 3.429 ) and (bondedto (attr store1 < 124.777722631 and attr store1 > 123.977722631 ) or bondedto (attr store1 < 77.035 and attr store1 > 76.235 ) or bondedto (attr store1 < 29.2922773688 and attr store1 > 28.4922773688 ))) 6 0.1 0.1 peak 243 volume 19.68618 ppm1 3.459 ppm2 7.990 ! ############### C13_CNnoesy_manual.244 folded + assi (attr store1 < 7.776 and attr store1 > 7.676 ) ((attr store1 < 3.489 and attr store1 > 3.429 ) and (bondedto (attr store1 < 124.764722631 and attr store1 > 123.964722631 ) or bondedto (attr store1 < 77.022 and attr store1 > 76.222 ) or bondedto (attr store1 < 29.2792773688 and attr store1 > 28.4792773688 ))) 6 0.1 0.1 peak 244 volume 22.27461 ppm1 3.459 ppm2 7.726 ! ############### C13_CNnoesy_manual.245 folded + assi (attr store1 < 7.506 and attr store1 > 7.406 ) ((attr store1 < 3.489 and attr store1 > 3.429 ) and (bondedto (attr store1 < 124.759722631 and attr store1 > 123.959722631 ) or bondedto (attr store1 < 77.017 and attr store1 > 76.217 ) or bondedto (attr store1 < 29.2742773688 and attr store1 > 28.4742773688 ))) 6 0.1 0.1 peak 245 volume 19.79667 ppm1 3.459 ppm2 7.456 ! ############### C13_CNnoesy_manual.246 folded + assi (attr store1 < 4.891 and attr store1 > 4.791 ) ((attr store1 < 3.492 and attr store1 > 3.432 ) and (bondedto (attr store1 < 124.757722631 and attr store1 > 123.957722631 ) or bondedto (attr store1 < 77.015 and attr store1 > 76.215 ) or bondedto (attr store1 < 29.2722773688 and attr store1 > 28.4722773688 ))) 6 0.1 0.1 peak 246 volume 22.59586 ppm1 3.462 ppm2 4.841 ! ############### C13_CNnoesy_manual.247 folded + assi (attr store1 < 4.616 and attr store1 > 4.516 ) ((attr store1 < 3.49 and attr store1 > 3.43 ) and (bondedto (attr store1 < 124.745722631 and attr store1 > 123.945722631 ) or bondedto (attr store1 < 77.003 and attr store1 > 76.203 ) or bondedto (attr store1 < 29.2602773688 and attr store1 > 28.4602773688 ))) 6 0.1 0.1 peak 247 volume 61.90595 ppm1 3.460 ppm2 4.566 ! ############### C13_CNnoesy_manual.248 folded + assi (attr store1 < 3.51 and attr store1 > 3.41 ) ((attr store1 < 3.491 and attr store1 > 3.431 ) and (bondedto (attr store1 < 124.748722631 and attr store1 > 123.948722631 ) or bondedto (attr store1 < 77.006 and attr store1 > 76.206 ) or bondedto (attr store1 < 29.2632773688 and attr store1 > 28.4632773688 ))) 6 0.1 0.1 peak 248 volume 699.06403 ppm1 3.461 ppm2 3.460 ! ############### C13_CNnoesy_manual.249 folded - assi (attr store1 < 0.797 and attr store1 > 0.697 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 148.559083947 and attr store1 > 147.759083947 ) or bondedto (attr store1 < 53.0736386844 and attr store1 > 52.2736386844 ))) 6 0.1 0.1 peak 249 volume 90.96299 ppm1 0.746 ppm2 0.747 ! ############### C13_CNnoesy_manual.250 folded + assi (attr store1 < 8.037 and attr store1 > 7.937 ) ((attr store1 < 1.699 and attr store1 > 1.639 ) and (bondedto (attr store1 < 124.561722631 and attr store1 > 123.761722631 ) or bondedto (attr store1 < 76.819 and attr store1 > 76.019 ) or bondedto (attr store1 < 29.0762773688 and attr store1 > 28.2762773688 ))) 6 0.1 0.1 peak 250 volume 8.01900 ppm1 1.669 ppm2 7.987 ! ############### C13_CNnoesy_manual.251 folded + assi (attr store1 < 4.068 and attr store1 > 3.968 ) ((attr store1 < 1.7 and attr store1 > 1.64 ) and (bondedto (attr store1 < 124.569722631 and attr store1 > 123.769722631 ) or bondedto (attr store1 < 76.827 and attr store1 > 76.027 ) or bondedto (attr store1 < 29.0842773688 and attr store1 > 28.2842773688 ))) 6 0.1 0.1 peak 251 volume 12.07763 ppm1 1.670 ppm2 4.018 ! ############### C13_CNnoesy_manual.252 folded + assi (attr store1 < 2.838 and attr store1 > 2.738 ) ((attr store1 < 1.703 and attr store1 > 1.643 ) and (bondedto (attr store1 < 124.553722631 and attr store1 > 123.753722631 ) or bondedto (attr store1 < 76.811 and attr store1 > 76.011 ) or bondedto (attr store1 < 29.0682773688 and attr store1 > 28.2682773688 ))) 6 0.1 0.1 peak 252 volume 23.93409 ppm1 1.673 ppm2 2.788 ! ############### C13_CNnoesy_manual.253 folded + assi (attr store1 < 1.467 and attr store1 > 1.367 ) ((attr store1 < 1.701 and attr store1 > 1.641 ) and (bondedto (attr store1 < 124.569722631 and attr store1 > 123.769722631 ) or bondedto (attr store1 < 76.827 and attr store1 > 76.027 ) or bondedto (attr store1 < 29.0842773688 and attr store1 > 28.2842773688 ))) 6 0.1 0.1 peak 253 volume 30.97583 ppm1 1.671 ppm2 1.417 ! ############### C13_CNnoesy_manual.254 folded + assi (attr store1 < 1.235 and attr store1 > 1.135 ) ((attr store1 < 1.701 and attr store1 > 1.641 ) and (bondedto (attr store1 < 124.571722631 and attr store1 > 123.771722631 ) or bondedto (attr store1 < 76.829 and attr store1 > 76.029 ) or bondedto (attr store1 < 29.0862773688 and attr store1 > 28.2862773688 ))) 6 0.1 0.1 peak 254 volume 81.22050 ppm1 1.671 ppm2 1.185 ! ############### C13_CNnoesy_manual.255 folded + assi (attr store1 < 4.062 and attr store1 > 3.962 ) ((attr store1 < 1.215 and attr store1 > 1.155 ) and (bondedto (attr store1 < 124.557722631 and attr store1 > 123.757722631 ) or bondedto (attr store1 < 76.815 and attr store1 > 76.015 ) or bondedto (attr store1 < 29.0722773688 and attr store1 > 28.2722773688 ))) 6 0.1 0.1 peak 255 volume 16.05405 ppm1 1.185 ppm2 4.012 ! ############### C13_CNnoesy_manual.256 folded + assi (attr store1 < 2.838 and attr store1 > 2.738 ) ((attr store1 < 1.215 and attr store1 > 1.155 ) and (bondedto (attr store1 < 124.575722631 and attr store1 > 123.775722631 ) or bondedto (attr store1 < 76.833 and attr store1 > 76.033 ) or bondedto (attr store1 < 29.0902773688 and attr store1 > 28.2902773688 ))) 6 0.1 0.1 peak 256 volume 22.97042 ppm1 1.185 ppm2 2.788 ! ############### C13_CNnoesy_manual.257 folded + assi (attr store1 < 1.721 and attr store1 > 1.621 ) ((attr store1 < 1.217 and attr store1 > 1.157 ) and (bondedto (attr store1 < 124.560722631 and attr store1 > 123.760722631 ) or bondedto (attr store1 < 76.818 and attr store1 > 76.018 ) or bondedto (attr store1 < 29.0752773688 and attr store1 > 28.2752773688 ))) 6 0.1 0.1 peak 257 volume 67.62125 ppm1 1.187 ppm2 1.671 ! ############### C13_CNnoesy_manual.258 folded + assi (attr store1 < 1.456 and attr store1 > 1.356 ) ((attr store1 < 1.216 and attr store1 > 1.156 ) and (bondedto (attr store1 < 124.574722631 and attr store1 > 123.774722631 ) or bondedto (attr store1 < 76.832 and attr store1 > 76.032 ) or bondedto (attr store1 < 29.0892773688 and attr store1 > 28.2892773688 ))) 6 0.1 0.1 peak 258 volume 36.57426 ppm1 1.186 ppm2 1.406 ! ############### C13_CNnoesy_manual.259 folded + assi (attr store1 < 1.236 and attr store1 > 1.136 ) ((attr store1 < 1.217 and attr store1 > 1.157 ) and (bondedto (attr store1 < 124.574722631 and attr store1 > 123.774722631 ) or bondedto (attr store1 < 76.832 and attr store1 > 76.032 ) or bondedto (attr store1 < 29.0892773688 and attr store1 > 28.2892773688 ))) 6 0.1 0.1 peak 259 volume 215.01765 ppm1 1.187 ppm2 1.186 ! ############### C13_CNnoesy_manual.260 folded + assi (attr store1 < 7.374 and attr store1 > 7.274 ) ((attr store1 < 1.782 and attr store1 > 1.722 ) and (bondedto (attr store1 < 124.359722631 and attr store1 > 123.559722631 ) or bondedto (attr store1 < 76.617 and attr store1 > 75.817 ) or bondedto (attr store1 < 28.8742773688 and attr store1 > 28.0742773688 ))) 6 0.1 0.1 peak 260 volume 6.72714 ppm1 1.752 ppm2 7.324 ! ############### C13_CNnoesy_manual.261 folded + assi (attr store1 < 3.07 and attr store1 > 2.97 ) ((attr store1 < 1.775 and attr store1 > 1.715 ) and (bondedto (attr store1 < 124.397722631 and attr store1 > 123.597722631 ) or bondedto (attr store1 < 76.655 and attr store1 > 75.855 ) or bondedto (attr store1 < 28.9122773688 and attr store1 > 28.1122773688 ))) 6 0.1 0.1 peak 261 volume 40.91290 ppm1 1.745 ppm2 3.020 ! ############### C13_CNnoesy_manual.262 folded + assi (attr store1 < 1.508 and attr store1 > 1.408 ) ((attr store1 < 1.779 and attr store1 > 1.719 ) and (bondedto (attr store1 < 124.398722631 and attr store1 > 123.598722631 ) or bondedto (attr store1 < 76.656 and attr store1 > 75.856 ) or bondedto (attr store1 < 28.9132773688 and attr store1 > 28.1132773688 ))) 6 0.1 0.1 peak 262 volume 155.54796 ppm1 1.749 ppm2 1.458 ! ############### C13_CNnoesy_manual.263 folded + assi (attr store1 < 0.352 and attr store1 > 0.252 ) ((attr store1 < 1.777 and attr store1 > 1.717 ) and (bondedto (attr store1 < 124.390722631 and attr store1 > 123.590722631 ) or bondedto (attr store1 < 76.648 and attr store1 > 75.848 ) or bondedto (attr store1 < 28.9052773688 and attr store1 > 28.1052773688 ))) 6 0.1 0.1 peak 263 volume 26.26421 ppm1 1.747 ppm2 0.302 ! ############### C13_CNnoesy_manual.264 folded + assi (attr store1 < 0.873 and attr store1 > 0.773 ) ((attr store1 < 1.773 and attr store1 > 1.713 ) and (bondedto (attr store1 < 124.378722631 and attr store1 > 123.578722631 ) or bondedto (attr store1 < 76.636 and attr store1 > 75.836 ) or bondedto (attr store1 < 28.8932773688 and attr store1 > 28.0932773688 ))) 6 0.1 0.1 peak 264 volume 20.19992 ppm1 1.743 ppm2 0.823 ! ############### C13_CNnoesy_manual.265 folded + assi (attr store1 < 3.072 and attr store1 > 2.972 ) ((attr store1 < 1.493 and attr store1 > 1.433 ) and (bondedto (attr store1 < 124.369722631 and attr store1 > 123.569722631 ) or bondedto (attr store1 < 76.627 and attr store1 > 75.827 ) or bondedto (attr store1 < 28.8842773688 and attr store1 > 28.0842773688 ))) 6 0.1 0.1 peak 265 volume 45.83962 ppm1 1.463 ppm2 3.022 ! ############### C13_CNnoesy_manual.266 folded + assi (attr store1 < 1.794 and attr store1 > 1.694 ) ((attr store1 < 1.492 and attr store1 > 1.432 ) and (bondedto (attr store1 < 124.380722631 and attr store1 > 123.580722631 ) or bondedto (attr store1 < 76.638 and attr store1 > 75.838 ) or bondedto (attr store1 < 28.8952773688 and attr store1 > 28.0952773688 ))) 6 0.1 0.1 peak 266 volume 163.56908 ppm1 1.462 ppm2 1.744 ! ############### C13_CNnoesy_manual.267 folded + assi (attr store1 < 0.35 and attr store1 > 0.25 ) ((attr store1 < 1.493 and attr store1 > 1.433 ) and (bondedto (attr store1 < 124.381722631 and attr store1 > 123.581722631 ) or bondedto (attr store1 < 76.639 and attr store1 > 75.839 ) or bondedto (attr store1 < 28.8962773688 and attr store1 > 28.0962773688 ))) 6 0.1 0.1 peak 267 volume 20.95965 ppm1 1.463 ppm2 0.300 ! ############### C13_CNnoesy_manual.268 folded - assi (attr store1 < 1.631 and attr store1 > 1.531 ) ((attr store1 < 1.769 and attr store1 > 1.709 ) and (bondedto (attr store1 < 148.249083947 and attr store1 > 147.449083947 ) or bondedto (attr store1 < 52.7636386844 and attr store1 > 51.9636386844 ))) 6 0.1 0.1 peak 268 volume 11.23913 ppm1 1.739 ppm2 1.581 ! ############### C13_CNnoesy_manual.269 folded + assi (attr store1 < 7.022 and attr store1 > 6.922 ) ((attr store1 < 2.002 and attr store1 > 1.942 ) and (bondedto (attr store1 < 124.195722631 and attr store1 > 123.395722631 ) or bondedto (attr store1 < 76.453 and attr store1 > 75.653 ) or bondedto (attr store1 < 28.7102773688 and attr store1 > 27.9102773688 ))) 6 0.1 0.1 peak 269 volume 6.72535 ppm1 1.972 ppm2 6.972 ! ############### C13_CNnoesy_manual.270 folded + assi (attr store1 < 1.594 and attr store1 > 1.494 ) ((attr store1 < 1.585 and attr store1 > 1.525 ) and (bondedto (attr store1 < 124.204722631 and attr store1 > 123.404722631 ) or bondedto (attr store1 < 76.462 and attr store1 > 75.662 ) or bondedto (attr store1 < 28.7192773688 and attr store1 > 27.9192773688 ))) 6 0.1 0.1 peak 270 volume 84.14289 ppm1 1.555 ppm2 1.544 ! ############### C13_CNnoesy_manual.271 folded + assi (attr store1 < 3.344 and attr store1 > 3.244 ) ((attr store1 < 1.516 and attr store1 > 1.456 ) and (bondedto (attr store1 < 124.190722631 and attr store1 > 123.390722631 ) or bondedto (attr store1 < 76.448 and attr store1 > 75.648 ) or bondedto (attr store1 < 28.7052773688 and attr store1 > 27.9052773688 ))) 6 0.1 0.1 peak 271 volume 9.83731 ppm1 1.486 ppm2 3.294 ! ############### C13_CNnoesy_manual.272 folded + assi (attr store1 < 2.281 and attr store1 > 2.181 ) ((attr store1 < 1.514 and attr store1 > 1.454 ) and (bondedto (attr store1 < 124.178722631 and attr store1 > 123.378722631 ) or bondedto (attr store1 < 76.436 and attr store1 > 75.636 ) or bondedto (attr store1 < 28.6932773688 and attr store1 > 27.8932773688 ))) 6 0.1 0.1 peak 272 volume 37.41790 ppm1 1.484 ppm2 2.231 ! ############### C13_CNnoesy_manual.273 folded + assi (attr store1 < 2.014 and attr store1 > 1.914 ) ((attr store1 < 1.514 and attr store1 > 1.454 ) and (bondedto (attr store1 < 124.176722631 and attr store1 > 123.376722631 ) or bondedto (attr store1 < 76.434 and attr store1 > 75.634 ) or bondedto (attr store1 < 28.6912773688 and attr store1 > 27.8912773688 ))) 6 0.1 0.1 peak 273 volume 128.35887 ppm1 1.484 ppm2 1.964 ! ############### C13_CNnoesy_manual.274 folded + assi (attr store1 < 1.522 and attr store1 > 1.422 ) ((attr store1 < 1.503 and attr store1 > 1.443 ) and (bondedto (attr store1 < 124.236722631 and attr store1 > 123.436722631 ) or bondedto (attr store1 < 76.494 and attr store1 > 75.694 ) or bondedto (attr store1 < 28.7512773688 and attr store1 > 27.9512773688 ))) 6 0.1 0.1 peak 274 volume 484.89340 ppm1 1.473 ppm2 1.472 ! ############### C13_CNnoesy_manual.275 folded + assi (attr store1 < 0.808 and attr store1 > 0.708 ) ((attr store1 < 1.512 and attr store1 > 1.452 ) and (bondedto (attr store1 < 124.178722631 and attr store1 > 123.378722631 ) or bondedto (attr store1 < 76.436 and attr store1 > 75.636 ) or bondedto (attr store1 < 28.6932773688 and attr store1 > 27.8932773688 ))) 6 0.1 0.1 peak 275 volume 50.37764 ppm1 1.482 ppm2 0.758 ! ############### C13_CNnoesy_manual.276 folded + assi (attr store1 < 1.375 and attr store1 > 1.275 ) ((attr store1 < 1.365 and attr store1 > 1.305 ) and (bondedto (attr store1 < 124.217722631 and attr store1 > 123.417722631 ) or bondedto (attr store1 < 76.475 and attr store1 > 75.675 ) or bondedto (attr store1 < 28.7322773688 and attr store1 > 27.9322773688 ))) 6 0.1 0.1 peak 276 volume 57.49089 ppm1 1.335 ppm2 1.325 ! ############### C13_CNnoesy_manual.277 folded - assi (attr store1 < 1.846 and attr store1 > 1.746 ) ((attr store1 < 1.832 and attr store1 > 1.772 ) and (bondedto (attr store1 < 148.068083947 and attr store1 > 147.268083947 ) or bondedto (attr store1 < 52.5826386844 and attr store1 > 51.7826386844 ))) 6 0.1 0.1 peak 277 volume 122.98265 ppm1 1.802 ppm2 1.796 ! ############### C13_CNnoesy_manual.278 folded - assi (attr store1 < 1.816 and attr store1 > 1.716 ) ((attr store1 < 1.798 and attr store1 > 1.738 ) and (bondedto (attr store1 < 148.118083947 and attr store1 > 147.318083947 ) or bondedto (attr store1 < 52.6326386844 and attr store1 > 51.8326386844 ))) 6 0.1 0.1 peak 278 volume 24.44001 ppm1 1.768 ppm2 1.766 ! ############### C13_CNnoesy_manual.279 folded + assi (attr store1 < 2.57 and attr store1 > 2.47 ) ((attr store1 < 2.549 and attr store1 > 2.489 ) and (bondedto (attr store1 < 124.139722631 and attr store1 > 123.339722631 ) or bondedto (attr store1 < 76.397 and attr store1 > 75.597 ) or bondedto (attr store1 < 28.6542773688 and attr store1 > 27.8542773688 ))) 6 0.1 0.1 peak 279 volume 58.30968 ppm1 2.519 ppm2 2.520 ! ############### C13_CNnoesy_manual.280 folded + assi (attr store1 < 3.682 and attr store1 > 3.582 ) ((attr store1 < 2.297 and attr store1 > 2.237 ) and (bondedto (attr store1 < 124.092722631 and attr store1 > 123.292722631 ) or bondedto (attr store1 < 76.35 and attr store1 > 75.55 ) or bondedto (attr store1 < 28.6072773688 and attr store1 > 27.8072773688 ))) 6 0.1 0.1 peak 280 volume 58.33269 ppm1 2.267 ppm2 3.632 ! ############### C13_CNnoesy_manual.281 folded + assi (attr store1 < 4.696 and attr store1 > 4.596 ) ((attr store1 < 2.291 and attr store1 > 2.231 ) and (bondedto (attr store1 < 124.089722631 and attr store1 > 123.289722631 ) or bondedto (attr store1 < 76.347 and attr store1 > 75.547 ) or bondedto (attr store1 < 28.6042773688 and attr store1 > 27.8042773688 ))) 6 0.1 0.1 peak 281 volume 18.58115 ppm1 2.261 ppm2 4.646 ! ############### C13_CNnoesy_manual.282 folded + assi (attr store1 < 2.552 and attr store1 > 2.452 ) ((attr store1 < 2.292 and attr store1 > 2.232 ) and (bondedto (attr store1 < 124.078722631 and attr store1 > 123.278722631 ) or bondedto (attr store1 < 76.336 and attr store1 > 75.536 ) or bondedto (attr store1 < 28.5932773688 and attr store1 > 27.7932773688 ))) 6 0.1 0.1 peak 282 volume 76.13774 ppm1 2.262 ppm2 2.502 ! ############### C13_CNnoesy_manual.283 folded + assi (attr store1 < 8.045 and attr store1 > 7.945 ) ((attr store1 < 1.996 and attr store1 > 1.936 ) and (bondedto (attr store1 < 124.144722631 and attr store1 > 123.344722631 ) or bondedto (attr store1 < 76.402 and attr store1 > 75.602 ) or bondedto (attr store1 < 28.6592773688 and attr store1 > 27.8592773688 ))) 6 0.1 0.1 peak 283 volume 26.04153 ppm1 1.966 ppm2 7.995 ! ############### C13_CNnoesy_manual.284 folded + assi (attr store1 < 4.099 and attr store1 > 3.999 ) ((attr store1 < 1.997 and attr store1 > 1.937 ) and (bondedto (attr store1 < 124.137722631 and attr store1 > 123.337722631 ) or bondedto (attr store1 < 76.395 and attr store1 > 75.595 ) or bondedto (attr store1 < 28.6522773688 and attr store1 > 27.8522773688 ))) 6 0.1 0.1 peak 284 volume 21.15479 ppm1 1.967 ppm2 4.049 ! ############### C13_CNnoesy_manual.285 folded + assi (attr store1 < 0.801 and attr store1 > 0.701 ) ((attr store1 < 1.997 and attr store1 > 1.937 ) and (bondedto (attr store1 < 124.164722631 and attr store1 > 123.364722631 ) or bondedto (attr store1 < 76.422 and attr store1 > 75.622 ) or bondedto (attr store1 < 28.6792773688 and attr store1 > 27.8792773688 ))) 6 0.1 0.1 peak 285 volume 39.37719 ppm1 1.967 ppm2 0.751 ! ############### C13_CNnoesy_manual.286 folded + assi (attr store1 < 2.282 and attr store1 > 2.182 ) ((attr store1 < 1.987 and attr store1 > 1.927 ) and (bondedto (attr store1 < 124.127722631 and attr store1 > 123.327722631 ) or bondedto (attr store1 < 76.385 and attr store1 > 75.585 ) or bondedto (attr store1 < 28.6422773688 and attr store1 > 27.8422773688 ))) 6 0.1 0.1 peak 286 volume 41.58641 ppm1 1.957 ppm2 2.232 ! ############### C13_CNnoesy_manual.287 folded + assi (attr store1 < 2.014 and attr store1 > 1.914 ) ((attr store1 < 1.989 and attr store1 > 1.929 ) and (bondedto (attr store1 < 124.120722631 and attr store1 > 123.320722631 ) or bondedto (attr store1 < 76.378 and attr store1 > 75.578 ) or bondedto (attr store1 < 28.6352773688 and attr store1 > 27.8352773688 ))) 6 0.1 0.1 peak 287 volume 196.19594 ppm1 1.959 ppm2 1.964 ! ############### C13_CNnoesy_manual.288 folded + assi (attr store1 < 1.532 and attr store1 > 1.432 ) ((attr store1 < 1.995 and attr store1 > 1.935 ) and (bondedto (attr store1 < 124.166722631 and attr store1 > 123.366722631 ) or bondedto (attr store1 < 76.424 and attr store1 > 75.624 ) or bondedto (attr store1 < 28.6812773688 and attr store1 > 27.8812773688 ))) 6 0.1 0.1 peak 288 volume 119.48450 ppm1 1.965 ppm2 1.482 ! ############### C13_CNnoesy_manual.289 folded + assi (attr store1 < 1.158 and attr store1 > 1.058 ) ((attr store1 < 1.993 and attr store1 > 1.933 ) and (bondedto (attr store1 < 124.140722631 and attr store1 > 123.340722631 ) or bondedto (attr store1 < 76.398 and attr store1 > 75.598 ) or bondedto (attr store1 < 28.6552773688 and attr store1 > 27.8552773688 ))) 6 0.1 0.1 peak 289 volume 24.03932 ppm1 1.963 ppm2 1.108 ! ############### C13_CNnoesy_manual.290 folded + assi (attr store1 < 7.033 and attr store1 > 6.933 ) ((attr store1 < 1.515 and attr store1 > 1.455 ) and (bondedto (attr store1 < 124.135722631 and attr store1 > 123.335722631 ) or bondedto (attr store1 < 76.393 and attr store1 > 75.593 ) or bondedto (attr store1 < 28.6502773688 and attr store1 > 27.8502773688 ))) 6 0.1 0.1 peak 290 volume 7.66404 ppm1 1.485 ppm2 6.983 ! ############### C13_CNnoesy_manual.291 folded + assi (attr store1 < 8.047 and attr store1 > 7.947 ) ((attr store1 < 1.513 and attr store1 > 1.453 ) and (bondedto (attr store1 < 124.132722631 and attr store1 > 123.332722631 ) or bondedto (attr store1 < 76.39 and attr store1 > 75.59 ) or bondedto (attr store1 < 28.6472773688 and attr store1 > 27.8472773688 ))) 6 0.1 0.1 peak 291 volume 15.89870 ppm1 1.483 ppm2 7.997 ! ############### C13_CNnoesy_manual.292 folded + assi (attr store1 < 1.16 and attr store1 > 1.06 ) ((attr store1 < 1.511 and attr store1 > 1.451 ) and (bondedto (attr store1 < 124.126722631 and attr store1 > 123.326722631 ) or bondedto (attr store1 < 76.384 and attr store1 > 75.584 ) or bondedto (attr store1 < 28.6412773688 and attr store1 > 27.8412773688 ))) 6 0.1 0.1 peak 292 volume 33.26835 ppm1 1.481 ppm2 1.110 ! ############### C13_CNnoesy_manual.293 folded + assi (attr store1 < 2.497 and attr store1 > 2.397 ) ((attr store1 < 2.484 and attr store1 > 2.424 ) and (bondedto (attr store1 < 124.061722631 and attr store1 > 123.261722631 ) or bondedto (attr store1 < 76.319 and attr store1 > 75.519 ) or bondedto (attr store1 < 28.5762773688 and attr store1 > 27.7762773688 ))) 6 0.1 0.1 peak 293 volume 42.54610 ppm1 2.454 ppm2 2.447 ! ############### C13_CNnoesy_manual.294 folded + assi (attr store1 < 2.321 and attr store1 > 2.221 ) ((attr store1 < 2.299 and attr store1 > 2.239 ) and (bondedto (attr store1 < 124.049722631 and attr store1 > 123.249722631 ) or bondedto (attr store1 < 76.307 and attr store1 > 75.507 ) or bondedto (attr store1 < 28.5642773688 and attr store1 > 27.7642773688 ))) 6 0.1 0.1 peak 294 volume 663.17682 ppm1 2.269 ppm2 2.271 ! ############### C13_CNnoesy_manual.295 folded + assi (attr store1 < 1.295 and attr store1 > 1.195 ) ((attr store1 < 2.303 and attr store1 > 2.243 ) and (bondedto (attr store1 < 124.070722631 and attr store1 > 123.270722631 ) or bondedto (attr store1 < 76.328 and attr store1 > 75.528 ) or bondedto (attr store1 < 28.5852773688 and attr store1 > 27.7852773688 ))) 6 0.1 0.1 peak 295 volume 10.14733 ppm1 2.273 ppm2 1.245 ! ############### C13_CNnoesy_manual.296 folded + assi (attr store1 < 3.083 and attr store1 > 2.983 ) ((attr store1 < 2.292 and attr store1 > 2.232 ) and (bondedto (attr store1 < 124.057722631 and attr store1 > 123.257722631 ) or bondedto (attr store1 < 76.315 and attr store1 > 75.515 ) or bondedto (attr store1 < 28.5722773688 and attr store1 > 27.7722773688 ))) 6 0.1 0.1 peak 296 volume 22.70392 ppm1 2.262 ppm2 3.033 ! ############### C13_CNnoesy_manual.297 folded + assi (attr store1 < 1.736 and attr store1 > 1.636 ) ((attr store1 < 2.295 and attr store1 > 2.235 ) and (bondedto (attr store1 < 124.052722631 and attr store1 > 123.252722631 ) or bondedto (attr store1 < 76.31 and attr store1 > 75.51 ) or bondedto (attr store1 < 28.5672773688 and attr store1 > 27.7672773688 ))) 6 0.1 0.1 peak 297 volume 10.13231 ppm1 2.265 ppm2 1.686 ! ############### C13_CNnoesy_manual.298 folded + assi (attr store1 < 4.397 and attr store1 > 4.297 ) ((attr store1 < 2.331 and attr store1 > 2.271 ) and (bondedto (attr store1 < 123.931722631 and attr store1 > 123.131722631 ) or bondedto (attr store1 < 76.189 and attr store1 > 75.389 ) or bondedto (attr store1 < 28.4462773688 and attr store1 > 27.6462773688 ))) 6 0.1 0.1 peak 298 volume 44.15659 ppm1 2.301 ppm2 4.347 ! ############### C13_CNnoesy_manual.299 folded + assi (attr store1 < 3.854 and attr store1 > 3.754 ) ((attr store1 < 2.331 and attr store1 > 2.271 ) and (bondedto (attr store1 < 123.920722631 and attr store1 > 123.120722631 ) or bondedto (attr store1 < 76.178 and attr store1 > 75.378 ) or bondedto (attr store1 < 28.4352773688 and attr store1 > 27.6352773688 ))) 6 0.1 0.1 peak 299 volume 41.95930 ppm1 2.301 ppm2 3.804 ! ############### C13_CNnoesy_manual.300 folded + assi (attr store1 < 2.163 and attr store1 > 2.063 ) ((attr store1 < 2.33 and attr store1 > 2.27 ) and (bondedto (attr store1 < 123.922722631 and attr store1 > 123.122722631 ) or bondedto (attr store1 < 76.18 and attr store1 > 75.38 ) or bondedto (attr store1 < 28.4372773688 and attr store1 > 27.6372773688 ))) 6 0.1 0.1 peak 300 volume 197.59541 ppm1 2.300 ppm2 2.113 ! ############### C13_CNnoesy_manual.301 folded + assi (attr store1 < 2.14 and attr store1 > 2.04 ) ((attr store1 < 2.246 and attr store1 > 2.186 ) and (bondedto (attr store1 < 123.911722631 and attr store1 > 123.111722631 ) or bondedto (attr store1 < 76.169 and attr store1 > 75.369 ) or bondedto (attr store1 < 28.4262773688 and attr store1 > 27.6262773688 ))) 6 0.1 0.1 peak 301 volume 296.74725 ppm1 2.216 ppm2 2.090 ! ############### C13_CNnoesy_manual.302 folded + assi (attr store1 < 4.394 and attr store1 > 4.294 ) ((attr store1 < 2.143 and attr store1 > 2.083 ) and (bondedto (attr store1 < 123.925722631 and attr store1 > 123.125722631 ) or bondedto (attr store1 < 76.183 and attr store1 > 75.383 ) or bondedto (attr store1 < 28.4402773688 and attr store1 > 27.6402773688 ))) 6 0.1 0.1 peak 302 volume 45.57182 ppm1 2.113 ppm2 4.344 ! ############### C13_CNnoesy_manual.303 folded + assi (attr store1 < 4.142 and attr store1 > 4.042 ) ((attr store1 < 2.135 and attr store1 > 2.075 ) and (bondedto (attr store1 < 123.916722631 and attr store1 > 123.116722631 ) or bondedto (attr store1 < 76.174 and attr store1 > 75.374 ) or bondedto (attr store1 < 28.4312773688 and attr store1 > 27.6312773688 ))) 6 0.1 0.1 peak 303 volume 11.99040 ppm1 2.105 ppm2 4.092 ! ############### C13_CNnoesy_manual.304 folded + assi (attr store1 < 9.05 and attr store1 > 8.95 ) ((attr store1 < 2.248 and attr store1 > 2.188 ) and (bondedto (attr store1 < 123.852722631 and attr store1 > 123.052722631 ) or bondedto (attr store1 < 76.11 and attr store1 > 75.31 ) or bondedto (attr store1 < 28.3672773688 and attr store1 > 27.5672773688 ))) 6 0.1 0.1 peak 304 volume 14.70786 ppm1 2.218 ppm2 9.000 ! ############### C13_CNnoesy_manual.305 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 2.25 and attr store1 > 2.19 ) and (bondedto (attr store1 < 123.874722631 and attr store1 > 123.074722631 ) or bondedto (attr store1 < 76.132 and attr store1 > 75.332 ) or bondedto (attr store1 < 28.3892773688 and attr store1 > 27.5892773688 ))) 6 0.1 0.1 peak 305 volume 10.72912 ppm1 2.220 ppm2 4.838 ! ############### C13_CNnoesy_manual.306 folded + assi (attr store1 < 3.903 and attr store1 > 3.803 ) ((attr store1 < 2.247 and attr store1 > 2.187 ) and (bondedto (attr store1 < 123.833722631 and attr store1 > 123.033722631 ) or bondedto (attr store1 < 76.091 and attr store1 > 75.291 ) or bondedto (attr store1 < 28.3482773688 and attr store1 > 27.5482773688 ))) 6 0.1 0.1 peak 306 volume 32.00018 ppm1 2.217 ppm2 3.853 ! ############### C13_CNnoesy_manual.307 folded + assi (attr store1 < 9.046 and attr store1 > 8.946 ) ((attr store1 < 2.129 and attr store1 > 2.069 ) and (bondedto (attr store1 < 123.866722631 and attr store1 > 123.066722631 ) or bondedto (attr store1 < 76.124 and attr store1 > 75.324 ) or bondedto (attr store1 < 28.3812773688 and attr store1 > 27.5812773688 ))) 6 0.1 0.1 peak 307 volume 14.51059 ppm1 2.099 ppm2 8.996 ! ############### C13_CNnoesy_manual.308 folded + assi (attr store1 < 7.843 and attr store1 > 7.743 ) ((attr store1 < 2.132 and attr store1 > 2.072 ) and (bondedto (attr store1 < 123.840722631 and attr store1 > 123.040722631 ) or bondedto (attr store1 < 76.098 and attr store1 > 75.298 ) or bondedto (attr store1 < 28.3552773688 and attr store1 > 27.5552773688 ))) 6 0.1 0.1 peak 308 volume 10.71350 ppm1 2.102 ppm2 7.793 ! ############### C13_CNnoesy_manual.309 folded + assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 2.129 and attr store1 > 2.069 ) and (bondedto (attr store1 < 123.858722631 and attr store1 > 123.058722631 ) or bondedto (attr store1 < 76.116 and attr store1 > 75.316 ) or bondedto (attr store1 < 28.3732773688 and attr store1 > 27.5732773688 ))) 6 0.1 0.1 peak 309 volume 12.34088 ppm1 2.099 ppm2 4.837 ! ############### C13_CNnoesy_manual.310 folded + assi (attr store1 < 3.889 and attr store1 > 3.789 ) ((attr store1 < 2.131 and attr store1 > 2.071 ) and (bondedto (attr store1 < 123.876722631 and attr store1 > 123.076722631 ) or bondedto (attr store1 < 76.134 and attr store1 > 75.334 ) or bondedto (attr store1 < 28.3912773688 and attr store1 > 27.5912773688 ))) 6 0.1 0.1 peak 310 volume 45.97820 ppm1 2.101 ppm2 3.839 ! ############### C13_CNnoesy_manual.311 folded + assi (attr store1 < 2.621 and attr store1 > 2.521 ) ((attr store1 < 2.126 and attr store1 > 2.066 ) and (bondedto (attr store1 < 123.847722631 and attr store1 > 123.047722631 ) or bondedto (attr store1 < 76.105 and attr store1 > 75.305 ) or bondedto (attr store1 < 28.3622773688 and attr store1 > 27.5622773688 ))) 6 0.1 0.1 peak 311 volume 46.48046 ppm1 2.096 ppm2 2.571 ! ############### C13_CNnoesy_manual.312 folded - assi (attr store1 < 9.441 and attr store1 > 9.341 ) ((attr store1 < 5.126 and attr store1 > 5.066 ) and (bondedto (attr store1 < 147.715083947 and attr store1 > 146.915083947 ) or bondedto (attr store1 < 52.2296386844 and attr store1 > 51.4296386844 ))) 6 0.1 0.1 peak 312 volume 25.69185 ppm1 5.096 ppm2 9.391 ! ############### C13_CNnoesy_manual.313 folded - assi (attr store1 < 5.148 and attr store1 > 5.048 ) ((attr store1 < 5.128 and attr store1 > 5.068 ) and (bondedto (attr store1 < 147.722083947 and attr store1 > 146.922083947 ) or bondedto (attr store1 < 52.2366386844 and attr store1 > 51.4366386844 ))) 6 0.1 0.1 peak 313 volume 278.21512 ppm1 5.098 ppm2 5.098 ! ############### C13_CNnoesy_manual.314 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 5.129 and attr store1 > 5.069 ) and (bondedto (attr store1 < 147.716083947 and attr store1 > 146.916083947 ) or bondedto (attr store1 < 52.2306386844 and attr store1 > 51.4306386844 ))) 6 0.1 0.1 peak 314 volume 52.09484 ppm1 5.099 ppm2 4.839 ! ############### C13_CNnoesy_manual.315 folded - assi (attr store1 < 3.149 and attr store1 > 3.049 ) ((attr store1 < 5.127 and attr store1 > 5.067 ) and (bondedto (attr store1 < 147.738083947 and attr store1 > 146.938083947 ) or bondedto (attr store1 < 52.2526386844 and attr store1 > 51.4526386844 ))) 6 0.1 0.1 peak 315 volume 21.85818 ppm1 5.097 ppm2 3.099 ! ############### C13_CNnoesy_manual.316 folded - assi (attr store1 < 2.955 and attr store1 > 2.855 ) ((attr store1 < 5.128 and attr store1 > 5.068 ) and (bondedto (attr store1 < 147.717083947 and attr store1 > 146.917083947 ) or bondedto (attr store1 < 52.2316386844 and attr store1 > 51.4316386844 ))) 6 0.1 0.1 peak 316 volume 35.62967 ppm1 5.098 ppm2 2.905 ! ############### C13_CNnoesy_manual.317 folded + assi (attr store1 < 2.958 and attr store1 > 2.858 ) ((attr store1 < 2.938 and attr store1 > 2.878 ) and (bondedto (attr store1 < 123.756722631 and attr store1 > 122.956722631 ) or bondedto (attr store1 < 76.014 and attr store1 > 75.214 ) or bondedto (attr store1 < 28.2712773688 and attr store1 > 27.4712773688 ))) 6 0.1 0.1 peak 317 volume 32.10747 ppm1 2.908 ppm2 2.908 ! ############### C13_CNnoesy_manual.318 folded + assi (attr store1 < 7.846 and attr store1 > 7.746 ) ((attr store1 < 2.247 and attr store1 > 2.187 ) and (bondedto (attr store1 < 123.763722631 and attr store1 > 122.963722631 ) or bondedto (attr store1 < 76.021 and attr store1 > 75.221 ) or bondedto (attr store1 < 28.2782773688 and attr store1 > 27.4782773688 ))) 6 0.1 0.1 peak 318 volume 9.40510 ppm1 2.217 ppm2 7.796 ! ############### C13_CNnoesy_manual.319 folded + assi (attr store1 < 1.107 and attr store1 > 1.007 ) ((attr store1 < 1.082 and attr store1 > 1.022 ) and (bondedto (attr store1 < 123.736722631 and attr store1 > 122.936722631 ) or bondedto (attr store1 < 75.994 and attr store1 > 75.194 ) or bondedto (attr store1 < 28.2512773688 and attr store1 > 27.4512773688 ))) 6 0.1 0.1 peak 319 volume 147.52693 ppm1 1.052 ppm2 1.057 ! ############### C13_CNnoesy_manual.320 folded + assi (attr store1 < 1.052 and attr store1 > 0.952 ) ((attr store1 < 1.043 and attr store1 > 0.983 ) and (bondedto (attr store1 < 123.707722631 and attr store1 > 122.907722631 ) or bondedto (attr store1 < 75.965 and attr store1 > 75.165 ) or bondedto (attr store1 < 28.2222773688 and attr store1 > 27.4222773688 ))) 6 0.1 0.1 peak 320 volume 206.38359 ppm1 1.013 ppm2 1.002 ! ############### C13_CNnoesy_manual.321 folded + assi (attr store1 < 7.365 and attr store1 > 7.265 ) ((attr store1 < 1.039 and attr store1 > 0.979 ) and (bondedto (attr store1 < 123.645722631 and attr store1 > 122.845722631 ) or bondedto (attr store1 < 75.903 and attr store1 > 75.103 ) or bondedto (attr store1 < 28.1602773688 and attr store1 > 27.3602773688 ))) 6 0.1 0.1 peak 321 volume 10.36348 ppm1 1.009 ppm2 7.315 ! ############### C13_CNnoesy_manual.322 folded + assi (attr store1 < 1.015 and attr store1 > 0.915 ) ((attr store1 < 1.037 and attr store1 > 0.977 ) and (bondedto (attr store1 < 123.660722631 and attr store1 > 122.860722631 ) or bondedto (attr store1 < 75.918 and attr store1 > 75.118 ) or bondedto (attr store1 < 28.1752773688 and attr store1 > 27.3752773688 ))) 6 0.1 0.1 peak 322 volume 210.73634 ppm1 1.007 ppm2 0.965 ! ############### C13_CNnoesy_manual.323 folded + assi (attr store1 < 3.97 and attr store1 > 3.87 ) ((attr store1 < 2.172 and attr store1 > 2.112 ) and (bondedto (attr store1 < 123.590722631 and attr store1 > 122.790722631 ) or bondedto (attr store1 < 75.848 and attr store1 > 75.048 ) or bondedto (attr store1 < 28.1052773688 and attr store1 > 27.3052773688 ))) 6 0.1 0.1 peak 323 volume 16.06649 ppm1 2.142 ppm2 3.920 ! ############### C13_CNnoesy_manual.324 folded + assi (attr store1 < 2.472 and attr store1 > 2.372 ) ((attr store1 < 2.164 and attr store1 > 2.104 ) and (bondedto (attr store1 < 123.583722631 and attr store1 > 122.783722631 ) or bondedto (attr store1 < 75.841 and attr store1 > 75.041 ) or bondedto (attr store1 < 28.0982773688 and attr store1 > 27.2982773688 ))) 6 0.1 0.1 peak 324 volume 101.98804 ppm1 2.134 ppm2 2.422 ! ############### C13_CNnoesy_manual.325 folded + assi (attr store1 < 3.104 and attr store1 > 3.004 ) ((attr store1 < 1.915 and attr store1 > 1.855 ) and (bondedto (attr store1 < 123.521722631 and attr store1 > 122.721722631 ) or bondedto (attr store1 < 75.779 and attr store1 > 74.979 ) or bondedto (attr store1 < 28.0362773688 and attr store1 > 27.2362773688 ))) 6 0.1 0.1 peak 325 volume 32.02423 ppm1 1.885 ppm2 3.054 ! ############### C13_CNnoesy_manual.326 folded + assi (attr store1 < 2.418 and attr store1 > 2.318 ) ((attr store1 < 1.915 and attr store1 > 1.855 ) and (bondedto (attr store1 < 123.535722631 and attr store1 > 122.735722631 ) or bondedto (attr store1 < 75.793 and attr store1 > 74.993 ) or bondedto (attr store1 < 28.0502773688 and attr store1 > 27.2502773688 ))) 6 0.1 0.1 peak 326 volume 15.74098 ppm1 1.885 ppm2 2.368 ! ############### C13_CNnoesy_manual.327 folded + assi (attr store1 < 2.22 and attr store1 > 2.12 ) ((attr store1 < 1.914 and attr store1 > 1.854 ) and (bondedto (attr store1 < 123.535722631 and attr store1 > 122.735722631 ) or bondedto (attr store1 < 75.793 and attr store1 > 74.993 ) or bondedto (attr store1 < 28.0502773688 and attr store1 > 27.2502773688 ))) 6 0.1 0.1 peak 327 volume 50.31228 ppm1 1.884 ppm2 2.170 ! ############### C13_CNnoesy_manual.328 folded + assi (attr store1 < 1.63 and attr store1 > 1.53 ) ((attr store1 < 1.915 and attr store1 > 1.855 ) and (bondedto (attr store1 < 123.523722631 and attr store1 > 122.723722631 ) or bondedto (attr store1 < 75.781 and attr store1 > 74.981 ) or bondedto (attr store1 < 28.0382773688 and attr store1 > 27.2382773688 ))) 6 0.1 0.1 peak 328 volume 62.25520 ppm1 1.885 ppm2 1.580 ! ############### C13_CNnoesy_manual.329 folded + assi (attr store1 < 1.056 and attr store1 > 0.956 ) ((attr store1 < 1.588 and attr store1 > 1.528 ) and (bondedto (attr store1 < 123.520722631 and attr store1 > 122.720722631 ) or bondedto (attr store1 < 75.778 and attr store1 > 74.978 ) or bondedto (attr store1 < 28.0352773688 and attr store1 > 27.2352773688 ))) 6 0.1 0.1 peak 329 volume 24.20180 ppm1 1.558 ppm2 1.006 ! ############### C13_CNnoesy_manual.330 folded + assi (attr store1 < 0.687 and attr store1 > 0.587 ) ((attr store1 < 1.035 and attr store1 > 0.975 ) and (bondedto (attr store1 < 123.589722631 and attr store1 > 122.789722631 ) or bondedto (attr store1 < 75.847 and attr store1 > 75.047 ) or bondedto (attr store1 < 28.1042773688 and attr store1 > 27.3042773688 ))) 6 0.1 0.1 peak 330 volume 84.24183 ppm1 1.005 ppm2 0.637 ! ############### C13_CNnoesy_manual.331 folded + assi (attr store1 < 0.688 and attr store1 > 0.588 ) ((attr store1 < 0.985 and attr store1 > 0.925 ) and (bondedto (attr store1 < 123.585722631 and attr store1 > 122.785722631 ) or bondedto (attr store1 < 75.843 and attr store1 > 75.043 ) or bondedto (attr store1 < 28.1002773688 and attr store1 > 27.3002773688 ))) 6 0.1 0.1 peak 331 volume 50.15494 ppm1 0.955 ppm2 0.638 ! ############### C13_CNnoesy_manual.332 folded + assi (attr store1 < 7.364 and attr store1 > 7.264 ) ((attr store1 < 0.668 and attr store1 > 0.608 ) and (bondedto (attr store1 < 123.571722631 and attr store1 > 122.771722631 ) or bondedto (attr store1 < 75.829 and attr store1 > 75.029 ) or bondedto (attr store1 < 28.0862773688 and attr store1 > 27.2862773688 ))) 6 0.1 0.1 peak 332 volume 7.20165 ppm1 0.638 ppm2 7.314 ! ############### C13_CNnoesy_manual.333 folded + assi (attr store1 < 0.688 and attr store1 > 0.588 ) ((attr store1 < 0.667 and attr store1 > 0.607 ) and (bondedto (attr store1 < 123.583722631 and attr store1 > 122.783722631 ) or bondedto (attr store1 < 75.841 and attr store1 > 75.041 ) or bondedto (attr store1 < 28.0982773688 and attr store1 > 27.2982773688 ))) 6 0.1 0.1 peak 333 volume 132.91339 ppm1 0.637 ppm2 0.638 ! ############### C13_CNnoesy_manual.334 folded + assi (attr store1 < 1.022 and attr store1 > 0.922 ) ((attr store1 < 0.667 and attr store1 > 0.607 ) and (bondedto (attr store1 < 123.585722631 and attr store1 > 122.785722631 ) or bondedto (attr store1 < 75.843 and attr store1 > 75.043 ) or bondedto (attr store1 < 28.1002773688 and attr store1 > 27.3002773688 ))) 6 0.1 0.1 peak 334 volume 135.24777 ppm1 0.637 ppm2 0.972 ! ############### C13_CNnoesy_manual.335 folded + assi (attr store1 < 2.191 and attr store1 > 2.091 ) ((attr store1 < 2.173 and attr store1 > 2.113 ) and (bondedto (attr store1 < 123.498722631 and attr store1 > 122.698722631 ) or bondedto (attr store1 < 75.756 and attr store1 > 74.956 ) or bondedto (attr store1 < 28.0132773688 and attr store1 > 27.2132773688 ))) 6 0.1 0.1 peak 335 volume 3696.78882 ppm1 2.143 ppm2 2.141 ! ############### C13_CNnoesy_manual.336 folded + assi (attr store1 < 4.374 and attr store1 > 4.274 ) ((attr store1 < 1.909 and attr store1 > 1.849 ) and (bondedto (attr store1 < 123.506722631 and attr store1 > 122.706722631 ) or bondedto (attr store1 < 75.764 and attr store1 > 74.964 ) or bondedto (attr store1 < 28.0212773688 and attr store1 > 27.2212773688 ))) 6 0.1 0.1 peak 336 volume 45.76274 ppm1 1.879 ppm2 4.324 ! ############### C13_CNnoesy_manual.337 folded + assi (attr store1 < 1.925 and attr store1 > 1.825 ) ((attr store1 < 1.908 and attr store1 > 1.848 ) and (bondedto (attr store1 < 123.483722631 and attr store1 > 122.683722631 ) or bondedto (attr store1 < 75.741 and attr store1 > 74.941 ) or bondedto (attr store1 < 27.9982773688 and attr store1 > 27.1982773688 ))) 6 0.1 0.1 peak 337 volume 963.22321 ppm1 1.878 ppm2 1.875 ! ############### C13_CNnoesy_manual.338 folded + assi (attr store1 < 0.899 and attr store1 > 0.799 ) ((attr store1 < 1.909 and attr store1 > 1.849 ) and (bondedto (attr store1 < 123.447722631 and attr store1 > 122.647722631 ) or bondedto (attr store1 < 75.705 and attr store1 > 74.905 ) or bondedto (attr store1 < 27.9622773688 and attr store1 > 27.1622773688 ))) 6 0.1 0.1 peak 338 volume 20.91533 ppm1 1.879 ppm2 0.849 ! ############### C13_CNnoesy_manual.339 folded + assi (attr store1 < 2.192 and attr store1 > 2.092 ) ((attr store1 < 1.32 and attr store1 > 1.26 ) and (bondedto (attr store1 < 123.488722631 and attr store1 > 122.688722631 ) or bondedto (attr store1 < 75.746 and attr store1 > 74.946 ) or bondedto (attr store1 < 28.0032773688 and attr store1 > 27.2032773688 ))) 6 0.1 0.1 peak 339 volume 12.20909 ppm1 1.290 ppm2 2.142 ! ############### C13_CNnoesy_manual.340 folded + assi (attr store1 < 1.021 and attr store1 > 0.921 ) ((attr store1 < 0.988 and attr store1 > 0.928 ) and (bondedto (attr store1 < 123.489722631 and attr store1 > 122.689722631 ) or bondedto (attr store1 < 75.747 and attr store1 > 74.947 ) or bondedto (attr store1 < 28.0042773688 and attr store1 > 27.2042773688 ))) 6 0.1 0.1 peak 340 volume 193.04457 ppm1 0.958 ppm2 0.971 ! ############### C13_CNnoesy_manual.341 folded + assi (attr store1 < 1.816 and attr store1 > 1.716 ) ((attr store1 < 0.665 and attr store1 > 0.605 ) and (bondedto (attr store1 < 123.513722631 and attr store1 > 122.713722631 ) or bondedto (attr store1 < 75.771 and attr store1 > 74.971 ) or bondedto (attr store1 < 28.0282773688 and attr store1 > 27.2282773688 ))) 6 0.1 0.1 peak 341 volume 12.81165 ppm1 0.635 ppm2 1.766 ! ############### C13_CNnoesy_manual.342 folded - assi (attr store1 < 4.404 and attr store1 > 4.304 ) ((attr store1 < 4.385 and attr store1 > 4.325 ) and (bondedto (attr store1 < 147.328083947 and attr store1 > 146.528083947 ) or bondedto (attr store1 < 51.8426386844 and attr store1 > 51.0426386844 ))) 6 0.1 0.1 peak 342 volume 259.03668 ppm1 4.355 ppm2 4.354 ! ############### C13_CNnoesy_manual.343 folded - assi (attr store1 < 4.157 and attr store1 > 4.057 ) ((attr store1 < 4.386 and attr store1 > 4.326 ) and (bondedto (attr store1 < 147.335083947 and attr store1 > 146.535083947 ) or bondedto (attr store1 < 51.8496386844 and attr store1 > 51.0496386844 ))) 6 0.1 0.1 peak 343 volume 97.6312 ppm1 4.356 ppm2 4.107 ! ############### C13_CNnoesy_manual.344 folded - assi (attr store1 < 3.855 and attr store1 > 3.755 ) ((attr store1 < 4.386 and attr store1 > 4.326 ) and (bondedto (attr store1 < 147.332083947 and attr store1 > 146.532083947 ) or bondedto (attr store1 < 51.8466386844 and attr store1 > 51.0466386844 ))) 6 0.1 0.1 peak 344 volume 200.83363 ppm1 4.356 ppm2 3.805 ! ############### C13_CNnoesy_manual.345 folded - assi (attr store1 < 2.356 and attr store1 > 2.256 ) ((attr store1 < 4.386 and attr store1 > 4.326 ) and (bondedto (attr store1 < 147.319083947 and attr store1 > 146.519083947 ) or bondedto (attr store1 < 51.8336386844 and attr store1 > 51.0336386844 ))) 6 0.1 0.1 peak 345 volume 38.41299 ppm1 4.356 ppm2 2.306 ! ############### C13_CNnoesy_manual.346 folded - assi (attr store1 < 2.169 and attr store1 > 2.069 ) ((attr store1 < 4.386 and attr store1 > 4.326 ) and (bondedto (attr store1 < 147.345083947 and attr store1 > 146.545083947 ) or bondedto (attr store1 < 51.8596386844 and attr store1 > 51.0596386844 ))) 6 0.1 0.1 peak 346 volume 42.95171 ppm1 4.356 ppm2 2.119 ! ############### C13_CNnoesy_manual.347 folded - assi (attr store1 < 0.795 and attr store1 > 0.695 ) ((attr store1 < 4.385 and attr store1 > 4.325 ) and (bondedto (attr store1 < 147.310083947 and attr store1 > 146.510083947 ) or bondedto (attr store1 < 51.8246386844 and attr store1 > 51.0246386844 ))) 6 0.1 0.1 peak 347 volume 30.44989 ppm1 4.355 ppm2 0.745 ! ############### C13_CNnoesy_manual.348 folded - assi (attr store1 < 4.405 and attr store1 > 4.305 ) ((attr store1 < 3.836 and attr store1 > 3.776 ) and (bondedto (attr store1 < 147.330083947 and attr store1 > 146.530083947 ) or bondedto (attr store1 < 51.8446386844 and attr store1 > 51.0446386844 ))) 6 0.1 0.1 peak 348 volume 198.28123 ppm1 3.806 ppm2 4.355 ! ############### C13_CNnoesy_manual.349 folded - assi (attr store1 < 4.156 and attr store1 > 4.056 ) ((attr store1 < 3.836 and attr store1 > 3.776 ) and (bondedto (attr store1 < 147.328083947 and attr store1 > 146.528083947 ) or bondedto (attr store1 < 51.8426386844 and attr store1 > 51.0426386844 ))) 6 0.1 0.1 peak 349 volume 79.97654 ppm1 3.806 ppm2 4.106 ! ############### C13_CNnoesy_manual.350 folded - assi (attr store1 < 2.356 and attr store1 > 2.256 ) ((attr store1 < 3.836 and attr store1 > 3.776 ) and (bondedto (attr store1 < 147.322083947 and attr store1 > 146.522083947 ) or bondedto (attr store1 < 51.8366386844 and attr store1 > 51.0366386844 ))) 6 0.1 0.1 peak 350 volume 47.56935 ppm1 3.806 ppm2 2.306 ! ############### C13_CNnoesy_manual.351 folded - assi (attr store1 < 0.797 and attr store1 > 0.697 ) ((attr store1 < 3.836 and attr store1 > 3.776 ) and (bondedto (attr store1 < 147.326083947 and attr store1 > 146.526083947 ) or bondedto (attr store1 < 51.8406386844 and attr store1 > 51.0406386844 ))) 6 0.1 0.1 peak 351 volume 44.49494 ppm1 3.806 ppm2 0.747 ! ############### C13_CNnoesy_manual.352 folded - assi (attr store1 < 0.114 and attr store1 > 0.014 ) ((attr store1 < 3.839 and attr store1 > 3.779 ) and (bondedto (attr store1 < 147.369083947 and attr store1 > 146.569083947 ) or bondedto (attr store1 < 51.8836386844 and attr store1 > 51.0836386844 ))) 6 0.1 0.1 peak 352 volume 7.96304 ppm1 3.809 ppm2 0.064 ! ############### C13_CNnoesy_manual.353 folded - assi (attr store1 < 2.024 and attr store1 > 1.924 ) ((attr store1 < 2.001 and attr store1 > 1.941 ) and (bondedto (attr store1 < 147.358083947 and attr store1 > 146.558083947 ) or bondedto (attr store1 < 51.8726386844 and attr store1 > 51.0726386844 ))) 6 0.1 0.1 peak 353 volume 14.27842 ppm1 1.971 ppm2 1.974 ! ############### C13_CNnoesy_manual.354 folded - assi (attr store1 < 1.008 and attr store1 > 0.908 ) ((attr store1 < 0.858 and attr store1 > 0.798 ) and (bondedto (attr store1 < 147.357083947 and attr store1 > 146.557083947 ) or bondedto (attr store1 < 51.8716386844 and attr store1 > 51.0716386844 ))) 6 0.1 0.1 peak 354 volume 22.53687 ppm1 0.828 ppm2 0.958 ! ############### C13_CNnoesy_manual.355 folded + assi (attr store1 < 3.4 and attr store1 > 3.3 ) ((attr store1 < 1.882 and attr store1 > 1.822 ) and (bondedto (attr store1 < 123.402722631 and attr store1 > 122.602722631 ) or bondedto (attr store1 < 75.66 and attr store1 > 74.86 ) or bondedto (attr store1 < 27.9172773688 and attr store1 > 27.1172773688 ))) 6 0.1 0.1 peak 355 volume 30.70986 ppm1 1.852 ppm2 3.350 ! ############### C13_CNnoesy_manual.356 folded + assi (attr store1 < 8.468 and attr store1 > 8.368 ) ((attr store1 < 1.833 and attr store1 > 1.773 ) and (bondedto (attr store1 < 123.382722631 and attr store1 > 122.582722631 ) or bondedto (attr store1 < 75.64 and attr store1 > 74.84 ) or bondedto (attr store1 < 27.8972773688 and attr store1 > 27.0972773688 ))) 6 0.1 0.1 peak 356 volume 19.68289 ppm1 1.803 ppm2 8.418 ! ############### C13_CNnoesy_manual.357 folded + assi (attr store1 < 3.4 and attr store1 > 3.3 ) ((attr store1 < 1.827 and attr store1 > 1.767 ) and (bondedto (attr store1 < 123.408722631 and attr store1 > 122.608722631 ) or bondedto (attr store1 < 75.666 and attr store1 > 74.866 ) or bondedto (attr store1 < 27.9232773688 and attr store1 > 27.1232773688 ))) 6 0.1 0.1 peak 357 volume 31.47026 ppm1 1.797 ppm2 3.350 ! ############### C13_CNnoesy_manual.358 folded + assi (attr store1 < 8.048 and attr store1 > 7.948 ) ((attr store1 < 1.7 and attr store1 > 1.64 ) and (bondedto (attr store1 < 123.384722631 and attr store1 > 122.584722631 ) or bondedto (attr store1 < 75.642 and attr store1 > 74.842 ) or bondedto (attr store1 < 27.8992773688 and attr store1 > 27.0992773688 ))) 6 0.1 0.1 peak 358 volume 10.49862 ppm1 1.670 ppm2 7.998 ! ############### C13_CNnoesy_manual.359 folded + assi (attr store1 < 1.916 and attr store1 > 1.816 ) ((attr store1 < 1.614 and attr store1 > 1.554 ) and (bondedto (attr store1 < 123.368722631 and attr store1 > 122.568722631 ) or bondedto (attr store1 < 75.626 and attr store1 > 74.826 ) or bondedto (attr store1 < 27.8832773688 and attr store1 > 27.0832773688 ))) 6 0.1 0.1 peak 359 volume 23.97183 ppm1 1.584 ppm2 1.866 ! ############### C13_CNnoesy_manual.360 folded + assi (attr store1 < 1.025 and attr store1 > 0.925 ) ((attr store1 < 1.594 and attr store1 > 1.534 ) and (bondedto (attr store1 < 123.411722631 and attr store1 > 122.611722631 ) or bondedto (attr store1 < 75.669 and attr store1 > 74.869 ) or bondedto (attr store1 < 27.9262773688 and attr store1 > 27.1262773688 ))) 6 0.1 0.1 peak 360 volume 24.83894 ppm1 1.564 ppm2 0.975 ! ############### C13_CNnoesy_manual.361 folded + assi (attr store1 < 1.33 and attr store1 > 1.23 ) ((attr store1 < 1.581 and attr store1 > 1.521 ) and (bondedto (attr store1 < 123.360722631 and attr store1 > 122.560722631 ) or bondedto (attr store1 < 75.618 and attr store1 > 74.818 ) or bondedto (attr store1 < 27.8752773688 and attr store1 > 27.0752773688 ))) 6 0.1 0.1 peak 361 volume 23.41009 ppm1 1.551 ppm2 1.280 ! ############### C13_CNnoesy_manual.362 folded + assi (attr store1 < 1.602 and attr store1 > 1.502 ) ((attr store1 < 1.302 and attr store1 > 1.242 ) and (bondedto (attr store1 < 123.368722631 and attr store1 > 122.568722631 ) or bondedto (attr store1 < 75.626 and attr store1 > 74.826 ) or bondedto (attr store1 < 27.8832773688 and attr store1 > 27.0832773688 ))) 6 0.1 0.1 peak 362 volume 25.48360 ppm1 1.272 ppm2 1.552 ! ############### C13_CNnoesy_manual.363 folded + assi (attr store1 < 1.316 and attr store1 > 1.216 ) ((attr store1 < 1.302 and attr store1 > 1.242 ) and (bondedto (attr store1 < 123.338722631 and attr store1 > 122.538722631 ) or bondedto (attr store1 < 75.596 and attr store1 > 74.796 ) or bondedto (attr store1 < 27.8532773688 and attr store1 > 27.0532773688 ))) 6 0.1 0.1 peak 363 volume 82.49183 ppm1 1.272 ppm2 1.266 ! ############### C13_CNnoesy_manual.364 folded + assi (attr store1 < 0.833 and attr store1 > 0.733 ) ((attr store1 < 1.831 and attr store1 > 1.771 ) and (bondedto (attr store1 < 123.330722631 and attr store1 > 122.530722631 ) or bondedto (attr store1 < 75.588 and attr store1 > 74.788 ) or bondedto (attr store1 < 27.8452773688 and attr store1 > 27.0452773688 ))) 6 0.1 0.1 peak 364 volume 71.56555 ppm1 1.801 ppm2 0.783 ! ############### C13_CNnoesy_manual.365 folded + assi (attr store1 < 4.444 and attr store1 > 4.344 ) ((attr store1 < 1.739 and attr store1 > 1.679 ) and (bondedto (attr store1 < 123.251722631 and attr store1 > 122.451722631 ) or bondedto (attr store1 < 75.509 and attr store1 > 74.709 ) or bondedto (attr store1 < 27.7662773688 and attr store1 > 26.9662773688 ))) 6 0.1 0.1 peak 365 volume 21.84681 ppm1 1.709 ppm2 4.394 ! ############### C13_CNnoesy_manual.366 folded + assi (attr store1 < 3.328 and attr store1 > 3.228 ) ((attr store1 < 1.74 and attr store1 > 1.68 ) and (bondedto (attr store1 < 123.283722631 and attr store1 > 122.483722631 ) or bondedto (attr store1 < 75.541 and attr store1 > 74.741 ) or bondedto (attr store1 < 27.7982773688 and attr store1 > 26.9982773688 ))) 6 0.1 0.1 peak 366 volume 45.37889 ppm1 1.710 ppm2 3.278 ! ############### C13_CNnoesy_manual.367 folded + assi (attr store1 < 1.937 and attr store1 > 1.837 ) ((attr store1 < 1.741 and attr store1 > 1.681 ) and (bondedto (attr store1 < 123.241722631 and attr store1 > 122.441722631 ) or bondedto (attr store1 < 75.499 and attr store1 > 74.699 ) or bondedto (attr store1 < 27.7562773688 and attr store1 > 26.9562773688 ))) 6 0.1 0.1 peak 367 volume 255.28351 ppm1 1.711 ppm2 1.887 ! ############### C13_CNnoesy_manual.368 folded + assi (attr store1 < 1.729 and attr store1 > 1.629 ) ((attr store1 < 1.705 and attr store1 > 1.645 ) and (bondedto (attr store1 < 123.285722631 and attr store1 > 122.485722631 ) or bondedto (attr store1 < 75.543 and attr store1 > 74.743 ) or bondedto (attr store1 < 27.8002773688 and attr store1 > 27.0002773688 ))) 6 0.1 0.1 peak 368 volume 2353.33911 ppm1 1.675 ppm2 1.679 ! ############### C13_CNnoesy_manual.369 folded + assi (attr store1 < 7.75 and attr store1 > 7.65 ) ((attr store1 < 1.38 and attr store1 > 1.32 ) and (bondedto (attr store1 < 123.317722631 and attr store1 > 122.517722631 ) or bondedto (attr store1 < 75.575 and attr store1 > 74.775 ) or bondedto (attr store1 < 27.8322773688 and attr store1 > 27.0322773688 ))) 6 0.1 0.1 peak 369 volume 14.44610 ppm1 1.350 ppm2 7.700 ! ############### C13_CNnoesy_manual.370 folded + assi (attr store1 < 4.15 and attr store1 > 4.05 ) ((attr store1 < 1.382 and attr store1 > 1.322 ) and (bondedto (attr store1 < 123.299722631 and attr store1 > 122.499722631 ) or bondedto (attr store1 < 75.557 and attr store1 > 74.757 ) or bondedto (attr store1 < 27.8142773688 and attr store1 > 27.0142773688 ))) 6 0.1 0.1 peak 370 volume 20.70841 ppm1 1.352 ppm2 4.100 ! ############### C13_CNnoesy_manual.371 folded + assi (attr store1 < 2.348 and attr store1 > 2.248 ) ((attr store1 < 1.381 and attr store1 > 1.321 ) and (bondedto (attr store1 < 123.278722631 and attr store1 > 122.478722631 ) or bondedto (attr store1 < 75.536 and attr store1 > 74.736 ) or bondedto (attr store1 < 27.7932773688 and attr store1 > 26.9932773688 ))) 6 0.1 0.1 peak 371 volume 25.66326 ppm1 1.351 ppm2 2.298 ! ############### C13_CNnoesy_manual.372 folded + assi (attr store1 < 1.753 and attr store1 > 1.653 ) ((attr store1 < 1.377 and attr store1 > 1.317 ) and (bondedto (attr store1 < 123.281722631 and attr store1 > 122.481722631 ) or bondedto (attr store1 < 75.539 and attr store1 > 74.739 ) or bondedto (attr store1 < 27.7962773688 and attr store1 > 26.9962773688 ))) 6 0.1 0.1 peak 372 volume 25.02784 ppm1 1.347 ppm2 1.703 ! ############### C13_CNnoesy_manual.373 folded + assi (attr store1 < 1.605 and attr store1 > 1.505 ) ((attr store1 < 1.382 and attr store1 > 1.322 ) and (bondedto (attr store1 < 123.262722631 and attr store1 > 122.462722631 ) or bondedto (attr store1 < 75.52 and attr store1 > 74.72 ) or bondedto (attr store1 < 27.7772773688 and attr store1 > 26.9772773688 ))) 6 0.1 0.1 peak 373 volume 27.79889 ppm1 1.352 ppm2 1.555 ! ############### C13_CNnoesy_manual.374 folded + assi (attr store1 < 1.399 and attr store1 > 1.299 ) ((attr store1 < 1.378 and attr store1 > 1.318 ) and (bondedto (attr store1 < 123.266722631 and attr store1 > 122.466722631 ) or bondedto (attr store1 < 75.524 and attr store1 > 74.724 ) or bondedto (attr store1 < 27.7812773688 and attr store1 > 26.9812773688 ))) 6 0.1 0.1 peak 374 volume 296.90588 ppm1 1.348 ppm2 1.349 ! ############### C13_CNnoesy_manual.375 folded + assi (attr store1 < 0.964 and attr store1 > 0.864 ) ((attr store1 < 1.38 and attr store1 > 1.32 ) and (bondedto (attr store1 < 123.289722631 and attr store1 > 122.489722631 ) or bondedto (attr store1 < 75.547 and attr store1 > 74.747 ) or bondedto (attr store1 < 27.8042773688 and attr store1 > 27.0042773688 ))) 6 0.1 0.1 peak 375 volume 126.92509 ppm1 1.350 ppm2 0.914 ! ############### C13_CNnoesy_manual.376 folded + assi (attr store1 < 0.8 and attr store1 > 0.7 ) ((attr store1 < 1.381 and attr store1 > 1.321 ) and (bondedto (attr store1 < 123.295722631 and attr store1 > 122.495722631 ) or bondedto (attr store1 < 75.553 and attr store1 > 74.753 ) or bondedto (attr store1 < 27.8102773688 and attr store1 > 27.0102773688 ))) 6 0.1 0.1 peak 376 volume 104.68443 ppm1 1.351 ppm2 0.750 ! ############### C13_CNnoesy_manual.377 folded + assi (attr store1 < 0.148 and attr store1 > 0.048 ) ((attr store1 < 1.378 and attr store1 > 1.318 ) and (bondedto (attr store1 < 123.292722631 and attr store1 > 122.492722631 ) or bondedto (attr store1 < 75.55 and attr store1 > 74.75 ) or bondedto (attr store1 < 27.8072773688 and attr store1 > 27.0072773688 ))) 6 0.1 0.1 peak 377 volume 8.45525 ppm1 1.348 ppm2 0.098 ! ############### C13_CNnoesy_manual.378 folded + assi (attr store1 < 1.265 and attr store1 > 1.165 ) ((attr store1 < 1.245 and attr store1 > 1.185 ) and (bondedto (attr store1 < 123.264722631 and attr store1 > 122.464722631 ) or bondedto (attr store1 < 75.522 and attr store1 > 74.722 ) or bondedto (attr store1 < 27.7792773688 and attr store1 > 26.9792773688 ))) 6 0.1 0.1 peak 378 volume 111.74148 ppm1 1.215 ppm2 1.215 ! ############### C13_CNnoesy_manual.379 folded + assi (attr store1 < 7.75 and attr store1 > 7.65 ) ((attr store1 < 0.941 and attr store1 > 0.881 ) and (bondedto (attr store1 < 123.277722631 and attr store1 > 122.477722631 ) or bondedto (attr store1 < 75.535 and attr store1 > 74.735 ) or bondedto (attr store1 < 27.7922773688 and attr store1 > 26.9922773688 ))) 6 0.1 0.1 peak 379 volume 9.83146 ppm1 0.911 ppm2 7.700 ! ############### C13_CNnoesy_manual.380 folded + assi (attr store1 < 4.148 and attr store1 > 4.048 ) ((attr store1 < 0.949 and attr store1 > 0.889 ) and (bondedto (attr store1 < 123.298722631 and attr store1 > 122.498722631 ) or bondedto (attr store1 < 75.556 and attr store1 > 74.756 ) or bondedto (attr store1 < 27.8132773688 and attr store1 > 27.0132773688 ))) 6 0.1 0.1 peak 380 volume 24.51061 ppm1 0.919 ppm2 4.098 ! ############### C13_CNnoesy_manual.381 folded + assi (attr store1 < 2.347 and attr store1 > 2.247 ) ((attr store1 < 0.946 and attr store1 > 0.886 ) and (bondedto (attr store1 < 123.305722631 and attr store1 > 122.505722631 ) or bondedto (attr store1 < 75.563 and attr store1 > 74.763 ) or bondedto (attr store1 < 27.8202773688 and attr store1 > 27.0202773688 ))) 6 0.1 0.1 peak 381 volume 17.58529 ppm1 0.916 ppm2 2.297 ! ############### C13_CNnoesy_manual.382 folded + assi (attr store1 < 1.4 and attr store1 > 1.3 ) ((attr store1 < 0.947 and attr store1 > 0.887 ) and (bondedto (attr store1 < 123.290722631 and attr store1 > 122.490722631 ) or bondedto (attr store1 < 75.548 and attr store1 > 74.748 ) or bondedto (attr store1 < 27.8052773688 and attr store1 > 27.0052773688 ))) 6 0.1 0.1 peak 382 volume 115.39433 ppm1 0.917 ppm2 1.350 ! ############### C13_CNnoesy_manual.383 folded + assi (attr store1 < 0.796 and attr store1 > 0.696 ) ((attr store1 < 0.947 and attr store1 > 0.887 ) and (bondedto (attr store1 < 123.284722631 and attr store1 > 122.484722631 ) or bondedto (attr store1 < 75.542 and attr store1 > 74.742 ) or bondedto (attr store1 < 27.7992773688 and attr store1 > 26.9992773688 ))) 6 0.1 0.1 peak 383 volume 104.23810 ppm1 0.917 ppm2 0.746 ! ############### C13_CNnoesy_manual.384 folded + assi (attr store1 < 0.96 and attr store1 > 0.86 ) ((attr store1 < 0.939 and attr store1 > 0.879 ) and (bondedto (attr store1 < 123.244722631 and attr store1 > 122.444722631 ) or bondedto (attr store1 < 75.502 and attr store1 > 74.702 ) or bondedto (attr store1 < 27.7592773688 and attr store1 > 26.9592773688 ))) 6 0.1 0.1 peak 384 volume 155.44191 ppm1 0.909 ppm2 0.910 ! ############### C13_CNnoesy_manual.385 folded + assi (attr store1 < 3.931 and attr store1 > 3.831 ) ((attr store1 < 3.68 and attr store1 > 3.62 ) and (bondedto (attr store1 < 123.172722631 and attr store1 > 122.372722631 ) or bondedto (attr store1 < 75.43 and attr store1 > 74.63 ) or bondedto (attr store1 < 27.6872773688 and attr store1 > 26.8872773688 ))) 6 0.1 0.1 peak 385 volume 7.55679 ppm1 3.650 ppm2 3.881 ! ############### C13_CNnoesy_manual.386 folded + assi (attr store1 < 4.349 and attr store1 > 4.249 ) ((attr store1 < 1.823 and attr store1 > 1.763 ) and (bondedto (attr store1 < 123.216722631 and attr store1 > 122.416722631 ) or bondedto (attr store1 < 75.474 and attr store1 > 74.674 ) or bondedto (attr store1 < 27.7312773688 and attr store1 > 26.9312773688 ))) 6 0.1 0.1 peak 386 volume 27.44851 ppm1 1.793 ppm2 4.299 ! ############### C13_CNnoesy_manual.387 folded + assi (attr store1 < 1.855 and attr store1 > 1.755 ) ((attr store1 < 1.822 and attr store1 > 1.762 ) and (bondedto (attr store1 < 123.172722631 and attr store1 > 122.372722631 ) or bondedto (attr store1 < 75.43 and attr store1 > 74.63 ) or bondedto (attr store1 < 27.6872773688 and attr store1 > 26.8872773688 ))) 6 0.1 0.1 peak 387 volume 1057.28650 ppm1 1.792 ppm2 1.805 ! ############### C13_CNnoesy_manual.388 folded + assi (attr store1 < 0.89 and attr store1 > 0.79 ) ((attr store1 < 1.818 and attr store1 > 1.758 ) and (bondedto (attr store1 < 123.156722631 and attr store1 > 122.356722631 ) or bondedto (attr store1 < 75.414 and attr store1 > 74.614 ) or bondedto (attr store1 < 27.6712773688 and attr store1 > 26.8712773688 ))) 6 0.1 0.1 peak 388 volume 60.38199 ppm1 1.788 ppm2 0.840 ! ############### C13_CNnoesy_manual.389 folded + assi (attr store1 < 1.27 and attr store1 > 1.17 ) ((attr store1 < 1.523 and attr store1 > 1.463 ) and (bondedto (attr store1 < 123.220722631 and attr store1 > 122.420722631 ) or bondedto (attr store1 < 75.478 and attr store1 > 74.678 ) or bondedto (attr store1 < 27.7352773688 and attr store1 > 26.9352773688 ))) 6 0.1 0.1 peak 389 volume 27.45570 ppm1 1.493 ppm2 1.220 ! ############### C13_CNnoesy_manual.390 folded + assi (attr store1 < 1.549 and attr store1 > 1.449 ) ((attr store1 < 1.256 and attr store1 > 1.196 ) and (bondedto (attr store1 < 123.221722631 and attr store1 > 122.421722631 ) or bondedto (attr store1 < 75.479 and attr store1 > 74.679 ) or bondedto (attr store1 < 27.7362773688 and attr store1 > 26.9362773688 ))) 6 0.1 0.1 peak 390 volume 29.24480 ppm1 1.226 ppm2 1.499 ! ############### C13_CNnoesy_manual.391 folded - assi (attr store1 < 3.693 and attr store1 > 3.593 ) ((attr store1 < 3.703 and attr store1 > 3.643 ) and (bondedto (attr store1 < 147.066083947 and attr store1 > 146.266083947 ) or bondedto (attr store1 < 51.5806386844 and attr store1 > 50.7806386844 ))) 6 0.1 0.1 peak 391 volume 251.89441 ppm1 3.673 ppm2 3.643 ! ############### C13_CNnoesy_manual.392 folded - assi (attr store1 < 2.568 and attr store1 > 2.468 ) ((attr store1 < 3.705 and attr store1 > 3.645 ) and (bondedto (attr store1 < 147.107083947 and attr store1 > 146.307083947 ) or bondedto (attr store1 < 51.6216386844 and attr store1 > 50.8216386844 ))) 6 0.1 0.1 peak 392 volume 10.65119 ppm1 3.675 ppm2 2.518 ! ############### C13_CNnoesy_manual.393 folded - assi (attr store1 < 2.319 and attr store1 > 2.219 ) ((attr store1 < 3.704 and attr store1 > 3.644 ) and (bondedto (attr store1 < 147.060083947 and attr store1 > 146.260083947 ) or bondedto (attr store1 < 51.5746386844 and attr store1 > 50.7746386844 ))) 6 0.1 0.1 peak 393 volume 50.05547 ppm1 3.674 ppm2 2.269 ! ############### C13_CNnoesy_manual.394 folded - assi (attr store1 < 1.97 and attr store1 > 1.87 ) ((attr store1 < 3.704 and attr store1 > 3.644 ) and (bondedto (attr store1 < 147.084083947 and attr store1 > 146.284083947 ) or bondedto (attr store1 < 51.5986386844 and attr store1 > 50.7986386844 ))) 6 0.1 0.1 peak 394 volume 16.88209 ppm1 3.674 ppm2 1.920 ! ############### C13_CNnoesy_manual.395 folded - assi (attr store1 < 1.75 and attr store1 > 1.65 ) ((attr store1 < 3.704 and attr store1 > 3.644 ) and (bondedto (attr store1 < 147.068083947 and attr store1 > 146.268083947 ) or bondedto (attr store1 < 51.5826386844 and attr store1 > 50.7826386844 ))) 6 0.1 0.1 peak 395 volume 42.94444 ppm1 3.674 ppm2 1.700 ! ############### C13_CNnoesy_manual.396 folded - assi (attr store1 < 1.384 and attr store1 > 1.284 ) ((attr store1 < 3.705 and attr store1 > 3.645 ) and (bondedto (attr store1 < 147.078083947 and attr store1 > 146.278083947 ) or bondedto (attr store1 < 51.5926386844 and attr store1 > 50.7926386844 ))) 6 0.1 0.1 peak 396 volume 20.33649 ppm1 3.675 ppm2 1.334 ! ############### C13_CNnoesy_manual.397 folded - assi (attr store1 < 4.239 and attr store1 > 4.139 ) ((attr store1 < 3.702 and attr store1 > 3.642 ) and (bondedto (attr store1 < 147.047083947 and attr store1 > 146.247083947 ) or bondedto (attr store1 < 51.5616386844 and attr store1 > 50.7616386844 ))) 6 0.1 0.1 peak 397 volume 52.00604 ppm1 3.672 ppm2 4.189 ! ############### C13_CNnoesy_manual.398 folded - assi (attr store1 < 3.079 and attr store1 > 2.979 ) ((attr store1 < 3.701 and attr store1 > 3.641 ) and (bondedto (attr store1 < 147.048083947 and attr store1 > 146.248083947 ) or bondedto (attr store1 < 51.5626386844 and attr store1 > 50.7626386844 ))) 6 0.1 0.1 peak 398 volume 17.45773 ppm1 3.671 ppm2 3.029 ! ############### C13_CNnoesy_manual.399 folded - assi (attr store1 < 4.24 and attr store1 > 4.14 ) ((attr store1 < 3.625 and attr store1 > 3.565 ) and (bondedto (attr store1 < 147.062083947 and attr store1 > 146.262083947 ) or bondedto (attr store1 < 51.5766386844 and attr store1 > 50.7766386844 ))) 6 0.1 0.1 peak 399 volume 56.80753 ppm1 3.595 ppm2 4.190 ! ############### C13_CNnoesy_manual.400 folded - assi (attr store1 < 3.678 and attr store1 > 3.578 ) ((attr store1 < 3.625 and attr store1 > 3.565 ) and (bondedto (attr store1 < 147.065083947 and attr store1 > 146.265083947 ) or bondedto (attr store1 < 51.5796386844 and attr store1 > 50.7796386844 ))) 6 0.1 0.1 peak 400 volume 243.27927 ppm1 3.595 ppm2 3.628 ! ############### C13_CNnoesy_manual.401 folded - assi (attr store1 < 3.078 and attr store1 > 2.978 ) ((attr store1 < 3.624 and attr store1 > 3.564 ) and (bondedto (attr store1 < 147.064083947 and attr store1 > 146.264083947 ) or bondedto (attr store1 < 51.5786386844 and attr store1 > 50.7786386844 ))) 6 0.1 0.1 peak 401 volume 16.51583 ppm1 3.594 ppm2 3.028 ! ############### C13_CNnoesy_manual.402 folded - assi (attr store1 < 2.565 and attr store1 > 2.465 ) ((attr store1 < 3.629 and attr store1 > 3.569 ) and (bondedto (attr store1 < 147.040083947 and attr store1 > 146.240083947 ) or bondedto (attr store1 < 51.5546386844 and attr store1 > 50.7546386844 ))) 6 0.1 0.1 peak 402 volume 9.1749 ppm1 3.599 ppm2 2.515 ! ############### C13_CNnoesy_manual.403 folded - assi (attr store1 < 2.319 and attr store1 > 2.219 ) ((attr store1 < 3.625 and attr store1 > 3.565 ) and (bondedto (attr store1 < 147.058083947 and attr store1 > 146.258083947 ) or bondedto (attr store1 < 51.5726386844 and attr store1 > 50.7726386844 ))) 6 0.1 0.1 peak 403 volume 48.88728 ppm1 3.595 ppm2 2.269 ! ############### C13_CNnoesy_manual.404 folded - assi (attr store1 < 1.968 and attr store1 > 1.868 ) ((attr store1 < 3.626 and attr store1 > 3.566 ) and (bondedto (attr store1 < 147.068083947 and attr store1 > 146.268083947 ) or bondedto (attr store1 < 51.5826386844 and attr store1 > 50.7826386844 ))) 6 0.1 0.1 peak 404 volume 14.31351 ppm1 3.596 ppm2 1.918 ! ############### C13_CNnoesy_manual.405 folded - assi (attr store1 < 1.751 and attr store1 > 1.651 ) ((attr store1 < 3.627 and attr store1 > 3.567 ) and (bondedto (attr store1 < 147.059083947 and attr store1 > 146.259083947 ) or bondedto (attr store1 < 51.5736386844 and attr store1 > 50.7736386844 ))) 6 0.1 0.1 peak 405 volume 36.96047 ppm1 3.597 ppm2 1.701 ! ############### C13_CNnoesy_manual.406 folded - assi (attr store1 < 1.383 and attr store1 > 1.283 ) ((attr store1 < 3.627 and attr store1 > 3.567 ) and (bondedto (attr store1 < 147.073083947 and attr store1 > 146.273083947 ) or bondedto (attr store1 < 51.5876386844 and attr store1 > 50.7876386844 ))) 6 0.1 0.1 peak 406 volume 19.16302 ppm1 3.597 ppm2 1.333 ! ############### C13_CNnoesy_manual.407 folded + assi (attr store1 < 2.859 and attr store1 > 2.759 ) ((attr store1 < 2.841 and attr store1 > 2.781 ) and (bondedto (attr store1 < 123.086722631 and attr store1 > 122.286722631 ) or bondedto (attr store1 < 75.344 and attr store1 > 74.544 ) or bondedto (attr store1 < 27.6012773688 and attr store1 > 26.8012773688 ))) 6 0.1 0.1 peak 407 volume 73.23154 ppm1 2.811 ppm2 2.809 ! ############### C13_CNnoesy_manual.408 folded + assi (attr store1 < 2.502 and attr store1 > 2.402 ) ((attr store1 < 2.485 and attr store1 > 2.425 ) and (bondedto (attr store1 < 123.098722631 and attr store1 > 122.298722631 ) or bondedto (attr store1 < 75.356 and attr store1 > 74.556 ) or bondedto (attr store1 < 27.6132773688 and attr store1 > 26.8132773688 ))) 6 0.1 0.1 peak 408 volume 34.13864 ppm1 2.455 ppm2 2.452 ! ############### C13_CNnoesy_manual.409 folded + assi (attr store1 < 8.233 and attr store1 > 8.133 ) ((attr store1 < 1.822 and attr store1 > 1.762 ) and (bondedto (attr store1 < 123.084722631 and attr store1 > 122.284722631 ) or bondedto (attr store1 < 75.342 and attr store1 > 74.542 ) or bondedto (attr store1 < 27.5992773688 and attr store1 > 26.7992773688 ))) 6 0.1 0.1 peak 409 volume 19.33813 ppm1 1.792 ppm2 8.183 ! ############### C13_CNnoesy_manual.410 folded + assi (attr store1 < 1.051 and attr store1 > 0.951 ) ((attr store1 < 1.824 and attr store1 > 1.764 ) and (bondedto (attr store1 < 123.122722631 and attr store1 > 122.322722631 ) or bondedto (attr store1 < 75.38 and attr store1 > 74.58 ) or bondedto (attr store1 < 27.6372773688 and attr store1 > 26.8372773688 ))) 6 0.1 0.1 peak 410 volume 74.03678 ppm1 1.794 ppm2 1.001 ! ############### C13_CNnoesy_manual.411 folded + assi (attr store1 < 7.366 and attr store1 > 7.266 ) ((attr store1 < 1.803 and attr store1 > 1.743 ) and (bondedto (attr store1 < 123.091722631 and attr store1 > 122.291722631 ) or bondedto (attr store1 < 75.349 and attr store1 > 74.549 ) or bondedto (attr store1 < 27.6062773688 and attr store1 > 26.8062773688 ))) 6 0.1 0.1 peak 411 volume 31.62081 ppm1 1.773 ppm2 7.316 ! ############### C13_CNnoesy_manual.412 folded + assi (attr store1 < 4.014 and attr store1 > 3.914 ) ((attr store1 < 1.807 and attr store1 > 1.747 ) and (bondedto (attr store1 < 123.093722631 and attr store1 > 122.293722631 ) or bondedto (attr store1 < 75.351 and attr store1 > 74.551 ) or bondedto (attr store1 < 27.6082773688 and attr store1 > 26.8082773688 ))) 6 0.1 0.1 peak 412 volume 17.63613 ppm1 1.777 ppm2 3.964 ! ############### C13_CNnoesy_manual.413 folded + assi (attr store1 < 1.26 and attr store1 > 1.16 ) ((attr store1 < 1.806 and attr store1 > 1.746 ) and (bondedto (attr store1 < 123.115722631 and attr store1 > 122.315722631 ) or bondedto (attr store1 < 75.373 and attr store1 > 74.573 ) or bondedto (attr store1 < 27.6302773688 and attr store1 > 26.8302773688 ))) 6 0.1 0.1 peak 413 volume 28.63361 ppm1 1.776 ppm2 1.210 ! ############### C13_CNnoesy_manual.414 folded + assi (attr store1 < 0.9 and attr store1 > 0.8 ) ((attr store1 < 1.673 and attr store1 > 1.613 ) and (bondedto (attr store1 < 123.140722631 and attr store1 > 122.340722631 ) or bondedto (attr store1 < 75.398 and attr store1 > 74.598 ) or bondedto (attr store1 < 27.6552773688 and attr store1 > 26.8552773688 ))) 6 0.1 0.1 peak 414 volume 6.55550 ppm1 1.643 ppm2 0.850 ! ############### C13_CNnoesy_manual.415 folded + assi (attr store1 < 7.279 and attr store1 > 7.179 ) ((attr store1 < 1.624 and attr store1 > 1.564 ) and (bondedto (attr store1 < 123.093722631 and attr store1 > 122.293722631 ) or bondedto (attr store1 < 75.351 and attr store1 > 74.551 ) or bondedto (attr store1 < 27.6082773688 and attr store1 > 26.8082773688 ))) 6 0.1 0.1 peak 415 volume 23.15982 ppm1 1.594 ppm2 7.229 ! ############### C13_CNnoesy_manual.416 folded + assi (attr store1 < 3.869 and attr store1 > 3.769 ) ((attr store1 < 1.624 and attr store1 > 1.564 ) and (bondedto (attr store1 < 123.089722631 and attr store1 > 122.289722631 ) or bondedto (attr store1 < 75.347 and attr store1 > 74.547 ) or bondedto (attr store1 < 27.6042773688 and attr store1 > 26.8042773688 ))) 6 0.1 0.1 peak 416 volume 14.50577 ppm1 1.594 ppm2 3.819 ! ############### C13_CNnoesy_manual.417 folded + assi (attr store1 < 0.798 and attr store1 > 0.698 ) ((attr store1 < 1.625 and attr store1 > 1.565 ) and (bondedto (attr store1 < 123.090722631 and attr store1 > 122.290722631 ) or bondedto (attr store1 < 75.348 and attr store1 > 74.548 ) or bondedto (attr store1 < 27.6052773688 and attr store1 > 26.8052773688 ))) 6 0.1 0.1 peak 417 volume 26.75903 ppm1 1.595 ppm2 0.748 ! ############### C13_CNnoesy_manual.418 folded + assi (attr store1 < 0.113 and attr store1 > 0.013 ) ((attr store1 < 1.623 and attr store1 > 1.563 ) and (bondedto (attr store1 < 123.075722631 and attr store1 > 122.275722631 ) or bondedto (attr store1 < 75.333 and attr store1 > 74.533 ) or bondedto (attr store1 < 27.5902773688 and attr store1 > 26.7902773688 ))) 6 0.1 0.1 peak 418 volume 133.27985 ppm1 1.593 ppm2 0.063 ! ############### C13_CNnoesy_manual.419 folded + assi (attr store1 < 1.559 and attr store1 > 1.459 ) ((attr store1 < 1.536 and attr store1 > 1.476 ) and (bondedto (attr store1 < 123.075722631 and attr store1 > 122.275722631 ) or bondedto (attr store1 < 75.333 and attr store1 > 74.533 ) or bondedto (attr store1 < 27.5902773688 and attr store1 > 26.7902773688 ))) 6 0.1 0.1 peak 419 volume 342.52878 ppm1 1.506 ppm2 1.509 ! ############### C13_CNnoesy_manual.420 folded + assi (attr store1 < 1.646 and attr store1 > 1.546 ) ((attr store1 < 0.107 and attr store1 > 0.047 ) and (bondedto (attr store1 < 123.079722631 and attr store1 > 122.279722631 ) or bondedto (attr store1 < 75.337 and attr store1 > 74.537 ) or bondedto (attr store1 < 27.5942773688 and attr store1 > 26.7942773688 ))) 6 0.1 0.1 peak 420 volume 50.41231 ppm1 0.077 ppm2 1.596 ! ############### C13_CNnoesy_manual.421 folded + assi (attr store1 < 7.282 and attr store1 > 7.182 ) ((attr store1 < 0.068 and attr store1 > 0.008 ) and (bondedto (attr store1 < 123.068722631 and attr store1 > 122.268722631 ) or bondedto (attr store1 < 75.326 and attr store1 > 74.526 ) or bondedto (attr store1 < 27.5832773688 and attr store1 > 26.7832773688 ))) 6 0.1 0.1 peak 421 volume 9.64214 ppm1 0.038 ppm2 7.232 ! ############### C13_CNnoesy_manual.422 folded + assi (attr store1 < 0.797 and attr store1 > 0.697 ) ((attr store1 < 0.068 and attr store1 > 0.008 ) and (bondedto (attr store1 < 123.093722631 and attr store1 > 122.293722631 ) or bondedto (attr store1 < 75.351 and attr store1 > 74.551 ) or bondedto (attr store1 < 27.6082773688 and attr store1 > 26.8082773688 ))) 6 0.1 0.1 peak 422 volume 21.36058 ppm1 0.038 ppm2 0.747 ! ############### C13_CNnoesy_manual.423 folded + assi (attr store1 < 0.114 and attr store1 > 0.014 ) ((attr store1 < 0.068 and attr store1 > 0.008 ) and (bondedto (attr store1 < 123.071722631 and attr store1 > 122.271722631 ) or bondedto (attr store1 < 75.329 and attr store1 > 74.529 ) or bondedto (attr store1 < 27.5862773688 and attr store1 > 26.7862773688 ))) 6 0.1 0.1 peak 423 volume 110.11987 ppm1 0.038 ppm2 0.064 ! ############### C13_CNnoesy_manual.424 folded + assi (attr store1 < 1.644 and attr store1 > 1.544 ) ((attr store1 < 0.067 and attr store1 > 0.007 ) and (bondedto (attr store1 < 123.071722631 and attr store1 > 122.271722631 ) or bondedto (attr store1 < 75.329 and attr store1 > 74.529 ) or bondedto (attr store1 < 27.5862773688 and attr store1 > 26.7862773688 ))) 6 0.1 0.1 peak 424 volume 59.96177 ppm1 0.037 ppm2 1.594 ! ############### C13_CNnoesy_manual.425 folded + assi (attr store1 < 3.997 and attr store1 > 3.897 ) ((attr store1 < 2.733 and attr store1 > 2.673 ) and (bondedto (attr store1 < 122.961722631 and attr store1 > 122.161722631 ) or bondedto (attr store1 < 75.219 and attr store1 > 74.419 ) or bondedto (attr store1 < 27.4762773688 and attr store1 > 26.6762773688 ))) 6 0.1 0.1 peak 425 volume 28.23522 ppm1 2.703 ppm2 3.947 ! ############### C13_CNnoesy_manual.426 folded + assi (attr store1 < 4.0 and attr store1 > 3.9 ) ((attr store1 < 2.609 and attr store1 > 2.549 ) and (bondedto (attr store1 < 122.964722631 and attr store1 > 122.164722631 ) or bondedto (attr store1 < 75.222 and attr store1 > 74.422 ) or bondedto (attr store1 < 27.4792773688 and attr store1 > 26.6792773688 ))) 6 0.1 0.1 peak 426 volume 33.56963 ppm1 2.579 ppm2 3.950 ! ############### C13_CNnoesy_manual.427 folded + assi (attr store1 < 2.941 and attr store1 > 2.841 ) ((attr store1 < 1.885 and attr store1 > 1.825 ) and (bondedto (attr store1 < 122.999722631 and attr store1 > 122.199722631 ) or bondedto (attr store1 < 75.257 and attr store1 > 74.457 ) or bondedto (attr store1 < 27.5142773688 and attr store1 > 26.7142773688 ))) 6 0.1 0.1 peak 427 volume 9.56972 ppm1 1.855 ppm2 2.891 ! ############### C13_CNnoesy_manual.428 folded + assi (attr store1 < 1.564 and attr store1 > 1.464 ) ((attr store1 < 1.882 and attr store1 > 1.822 ) and (bondedto (attr store1 < 122.974722631 and attr store1 > 122.174722631 ) or bondedto (attr store1 < 75.232 and attr store1 > 74.432 ) or bondedto (attr store1 < 27.4892773688 and attr store1 > 26.6892773688 ))) 6 0.1 0.1 peak 428 volume 80.54347 ppm1 1.852 ppm2 1.514 ! ############### C13_CNnoesy_manual.429 folded + assi (attr store1 < 4.474 and attr store1 > 4.374 ) ((attr store1 < 1.598 and attr store1 > 1.538 ) and (bondedto (attr store1 < 122.984722631 and attr store1 > 122.184722631 ) or bondedto (attr store1 < 75.242 and attr store1 > 74.442 ) or bondedto (attr store1 < 27.4992773688 and attr store1 > 26.6992773688 ))) 6 0.1 0.1 peak 429 volume 13.36921 ppm1 1.568 ppm2 4.424 ! ############### C13_CNnoesy_manual.430 folded + assi (attr store1 < 0.959 and attr store1 > 0.859 ) ((attr store1 < 1.602 and attr store1 > 1.542 ) and (bondedto (attr store1 < 123.030722631 and attr store1 > 122.230722631 ) or bondedto (attr store1 < 75.288 and attr store1 > 74.488 ) or bondedto (attr store1 < 27.5452773688 and attr store1 > 26.7452773688 ))) 6 0.1 0.1 peak 430 volume 24.76387 ppm1 1.572 ppm2 0.909 ! ############### C13_CNnoesy_manual.431 folded + assi (attr store1 < 8.712 and attr store1 > 8.612 ) ((attr store1 < 1.545 and attr store1 > 1.485 ) and (bondedto (attr store1 < 122.997722631 and attr store1 > 122.197722631 ) or bondedto (attr store1 < 75.255 and attr store1 > 74.455 ) or bondedto (attr store1 < 27.5122773688 and attr store1 > 26.7122773688 ))) 6 0.1 0.1 peak 431 volume 7.97251 ppm1 1.515 ppm2 8.662 ! ############### C13_CNnoesy_manual.432 folded + assi (attr store1 < 4.244 and attr store1 > 4.144 ) ((attr store1 < 1.545 and attr store1 > 1.485 ) and (bondedto (attr store1 < 123.002722631 and attr store1 > 122.202722631 ) or bondedto (attr store1 < 75.26 and attr store1 > 74.46 ) or bondedto (attr store1 < 27.5172773688 and attr store1 > 26.7172773688 ))) 6 0.1 0.1 peak 432 volume 20.19365 ppm1 1.515 ppm2 4.194 ! ############### C13_CNnoesy_manual.433 folded + assi (attr store1 < 3.038 and attr store1 > 2.938 ) ((attr store1 < 1.543 and attr store1 > 1.483 ) and (bondedto (attr store1 < 122.971722631 and attr store1 > 122.171722631 ) or bondedto (attr store1 < 75.229 and attr store1 > 74.429 ) or bondedto (attr store1 < 27.4862773688 and attr store1 > 26.6862773688 ))) 6 0.1 0.1 peak 433 volume 12.23127 ppm1 1.513 ppm2 2.988 ! ############### C13_CNnoesy_manual.434 folded + assi (attr store1 < 2.947 and attr store1 > 2.847 ) ((attr store1 < 1.54 and attr store1 > 1.48 ) and (bondedto (attr store1 < 122.988722631 and attr store1 > 122.188722631 ) or bondedto (attr store1 < 75.246 and attr store1 > 74.446 ) or bondedto (attr store1 < 27.5032773688 and attr store1 > 26.7032773688 ))) 6 0.1 0.1 peak 434 volume 11.62467 ppm1 1.510 ppm2 2.897 ! ############### C13_CNnoesy_manual.435 folded + assi (attr store1 < 1.883 and attr store1 > 1.783 ) ((attr store1 < 1.543 and attr store1 > 1.483 ) and (bondedto (attr store1 < 122.980722631 and attr store1 > 122.180722631 ) or bondedto (attr store1 < 75.238 and attr store1 > 74.438 ) or bondedto (attr store1 < 27.4952773688 and attr store1 > 26.6952773688 ))) 6 0.1 0.1 peak 435 volume 117.61229 ppm1 1.513 ppm2 1.833 ! ############### C13_CNnoesy_manual.436 folded + assi (attr store1 < 4.52 and attr store1 > 4.42 ) ((attr store1 < 1.511 and attr store1 > 1.451 ) and (bondedto (attr store1 < 122.960722631 and attr store1 > 122.160722631 ) or bondedto (attr store1 < 75.218 and attr store1 > 74.418 ) or bondedto (attr store1 < 27.4752773688 and attr store1 > 26.6752773688 ))) 6 0.1 0.1 peak 436 volume 5.74429 ppm1 1.481 ppm2 4.470 ! ############### C13_CNnoesy_manual.437 folded + assi (attr store1 < 4.156 and attr store1 > 4.056 ) ((attr store1 < 0.071 and attr store1 > 0.011 ) and (bondedto (attr store1 < 123.045722631 and attr store1 > 122.245722631 ) or bondedto (attr store1 < 75.303 and attr store1 > 74.503 ) or bondedto (attr store1 < 27.5602773688 and attr store1 > 26.7602773688 ))) 6 0.1 0.1 peak 437 volume 12.35931 ppm1 0.041 ppm2 4.106 ! ############### C13_CNnoesy_manual.438 folded + assi (attr store1 < 7.901 and attr store1 > 7.801 ) ((attr store1 < 2.733 and attr store1 > 2.673 ) and (bondedto (attr store1 < 122.943722631 and attr store1 > 122.143722631 ) or bondedto (attr store1 < 75.201 and attr store1 > 74.401 ) or bondedto (attr store1 < 27.4582773688 and attr store1 > 26.6582773688 ))) 6 0.1 0.1 peak 438 volume 22.46120 ppm1 2.703 ppm2 7.851 ! ############### C13_CNnoesy_manual.439 folded + assi (attr store1 < 2.752 and attr store1 > 2.652 ) ((attr store1 < 2.734 and attr store1 > 2.674 ) and (bondedto (attr store1 < 122.943722631 and attr store1 > 122.143722631 ) or bondedto (attr store1 < 75.201 and attr store1 > 74.401 ) or bondedto (attr store1 < 27.4582773688 and attr store1 > 26.6582773688 ))) 6 0.1 0.1 peak 439 volume 239.11937 ppm1 2.704 ppm2 2.702 ! ############### C13_CNnoesy_manual.440 folded + assi (attr store1 < 2.631 and attr store1 > 2.531 ) ((attr store1 < 2.734 and attr store1 > 2.674 ) and (bondedto (attr store1 < 122.944722631 and attr store1 > 122.144722631 ) or bondedto (attr store1 < 75.202 and attr store1 > 74.402 ) or bondedto (attr store1 < 27.4592773688 and attr store1 > 26.6592773688 ))) 6 0.1 0.1 peak 440 volume 220.61519 ppm1 2.704 ppm2 2.581 ! ############### C13_CNnoesy_manual.441 folded + assi (attr store1 < 1.418 and attr store1 > 1.318 ) ((attr store1 < 2.731 and attr store1 > 2.671 ) and (bondedto (attr store1 < 122.932722631 and attr store1 > 122.132722631 ) or bondedto (attr store1 < 75.19 and attr store1 > 74.39 ) or bondedto (attr store1 < 27.4472773688 and attr store1 > 26.6472773688 ))) 6 0.1 0.1 peak 441 volume 9.65107 ppm1 2.701 ppm2 1.368 ! ############### C13_CNnoesy_manual.442 folded + assi (attr store1 < 7.904 and attr store1 > 7.804 ) ((attr store1 < 2.608 and attr store1 > 2.548 ) and (bondedto (attr store1 < 122.943722631 and attr store1 > 122.143722631 ) or bondedto (attr store1 < 75.201 and attr store1 > 74.401 ) or bondedto (attr store1 < 27.4582773688 and attr store1 > 26.6582773688 ))) 6 0.1 0.1 peak 442 volume 20.80134 ppm1 2.578 ppm2 7.854 ! ############### C13_CNnoesy_manual.443 folded + assi (attr store1 < 2.75 and attr store1 > 2.65 ) ((attr store1 < 2.608 and attr store1 > 2.548 ) and (bondedto (attr store1 < 122.947722631 and attr store1 > 122.147722631 ) or bondedto (attr store1 < 75.205 and attr store1 > 74.405 ) or bondedto (attr store1 < 27.4622773688 and attr store1 > 26.6622773688 ))) 6 0.1 0.1 peak 443 volume 219.74750 ppm1 2.578 ppm2 2.700 ! ############### C13_CNnoesy_manual.444 folded + assi (attr store1 < 2.629 and attr store1 > 2.529 ) ((attr store1 < 2.608 and attr store1 > 2.548 ) and (bondedto (attr store1 < 122.952722631 and attr store1 > 122.152722631 ) or bondedto (attr store1 < 75.21 and attr store1 > 74.41 ) or bondedto (attr store1 < 27.4672773688 and attr store1 > 26.6672773688 ))) 6 0.1 0.1 peak 444 volume 262.22137 ppm1 2.578 ppm2 2.579 ! ############### C13_CNnoesy_manual.445 folded + assi (attr store1 < 1.424 and attr store1 > 1.324 ) ((attr store1 < 2.606 and attr store1 > 2.546 ) and (bondedto (attr store1 < 122.948722631 and attr store1 > 122.148722631 ) or bondedto (attr store1 < 75.206 and attr store1 > 74.406 ) or bondedto (attr store1 < 27.4632773688 and attr store1 > 26.6632773688 ))) 6 0.1 0.1 peak 445 volume 10.00114 ppm1 2.576 ppm2 1.374 ! ############### C13_CNnoesy_manual.446 folded + assi (attr store1 < 4.253 and attr store1 > 4.153 ) ((attr store1 < 1.894 and attr store1 > 1.834 ) and (bondedto (attr store1 < 122.916722631 and attr store1 > 122.116722631 ) or bondedto (attr store1 < 75.174 and attr store1 > 74.374 ) or bondedto (attr store1 < 27.4312773688 and attr store1 > 26.6312773688 ))) 6 0.1 0.1 peak 446 volume 26.92739 ppm1 1.864 ppm2 4.203 ! ############### C13_CNnoesy_manual.447 folded + assi (attr store1 < 4.09 and attr store1 > 3.99 ) ((attr store1 < 1.896 and attr store1 > 1.836 ) and (bondedto (attr store1 < 122.889722631 and attr store1 > 122.089722631 ) or bondedto (attr store1 < 75.147 and attr store1 > 74.347 ) or bondedto (attr store1 < 27.4042773688 and attr store1 > 26.6042773688 ))) 6 0.1 0.1 peak 447 volume 13.25149 ppm1 1.866 ppm2 4.040 ! ############### C13_CNnoesy_manual.448 folded + assi (attr store1 < 1.108 and attr store1 > 1.008 ) ((attr store1 < 1.894 and attr store1 > 1.834 ) and (bondedto (attr store1 < 122.947722631 and attr store1 > 122.147722631 ) or bondedto (attr store1 < 75.205 and attr store1 > 74.405 ) or bondedto (attr store1 < 27.4622773688 and attr store1 > 26.6622773688 ))) 6 0.1 0.1 peak 448 volume 43.29671 ppm1 1.864 ppm2 1.058 ! ############### C13_CNnoesy_manual.449 folded + assi (attr store1 < 8.701 and attr store1 > 8.601 ) ((attr store1 < 1.891 and attr store1 > 1.831 ) and (bondedto (attr store1 < 122.935722631 and attr store1 > 122.135722631 ) or bondedto (attr store1 < 75.193 and attr store1 > 74.393 ) or bondedto (attr store1 < 27.4502773688 and attr store1 > 26.6502773688 ))) 6 0.1 0.1 peak 449 volume 16.21602 ppm1 1.861 ppm2 8.651 ! ############### C13_CNnoesy_manual.450 folded + assi (attr store1 < 1.621 and attr store1 > 1.521 ) ((attr store1 < 1.6 and attr store1 > 1.54 ) and (bondedto (attr store1 < 122.935722631 and attr store1 > 122.135722631 ) or bondedto (attr store1 < 75.193 and attr store1 > 74.393 ) or bondedto (attr store1 < 27.4502773688 and attr store1 > 26.6502773688 ))) 6 0.1 0.1 peak 450 volume 888.87213 ppm1 1.570 ppm2 1.571 ! ############### C13_CNnoesy_manual.451 folded + assi (attr store1 < 3.835 and attr store1 > 3.735 ) ((attr store1 < 3.997 and attr store1 > 3.937 ) and (bondedto (attr store1 < 122.801722631 and attr store1 > 122.001722631 ) or bondedto (attr store1 < 75.059 and attr store1 > 74.259 ) or bondedto (attr store1 < 27.3162773688 and attr store1 > 26.5162773688 ))) 6 0.1 0.1 peak 451 volume 43.76809 ppm1 3.967 ppm2 3.785 ! ############### C13_CNnoesy_manual.452 folded + assi (attr store1 < 8.519 and attr store1 > 8.419 ) ((attr store1 < 1.897 and attr store1 > 1.837 ) and (bondedto (attr store1 < 122.837722631 and attr store1 > 122.037722631 ) or bondedto (attr store1 < 75.095 and attr store1 > 74.295 ) or bondedto (attr store1 < 27.3522773688 and attr store1 > 26.5522773688 ))) 6 0.1 0.1 peak 452 volume 27.08913 ppm1 1.867 ppm2 8.469 ! ############### C13_CNnoesy_manual.453 folded + assi (attr store1 < 7.683 and attr store1 > 7.583 ) ((attr store1 < 1.745 and attr store1 > 1.685 ) and (bondedto (attr store1 < 122.842722631 and attr store1 > 122.042722631 ) or bondedto (attr store1 < 75.1 and attr store1 > 74.3 ) or bondedto (attr store1 < 27.3572773688 and attr store1 > 26.5572773688 ))) 6 0.1 0.1 peak 453 volume 10.34777 ppm1 1.715 ppm2 7.633 ! ############### C13_CNnoesy_manual.454 folded + assi (attr store1 < 4.593 and attr store1 > 4.493 ) ((attr store1 < 1.74 and attr store1 > 1.68 ) and (bondedto (attr store1 < 122.842722631 and attr store1 > 122.042722631 ) or bondedto (attr store1 < 75.1 and attr store1 > 74.3 ) or bondedto (attr store1 < 27.3572773688 and attr store1 > 26.5572773688 ))) 6 0.1 0.1 peak 454 volume 18.18761 ppm1 1.710 ppm2 4.543 ! ############### C13_CNnoesy_manual.455 folded + assi (attr store1 < 2.52 and attr store1 > 2.42 ) ((attr store1 < 1.737 and attr store1 > 1.677 ) and (bondedto (attr store1 < 122.839722631 and attr store1 > 122.039722631 ) or bondedto (attr store1 < 75.097 and attr store1 > 74.297 ) or bondedto (attr store1 < 27.3542773688 and attr store1 > 26.5542773688 ))) 6 0.1 0.1 peak 455 volume 10.91106 ppm1 1.707 ppm2 2.470 ! ############### C13_CNnoesy_manual.456 folded + assi (attr store1 < 8.739 and attr store1 > 8.639 ) ((attr store1 < 0.816 and attr store1 > 0.756 ) and (bondedto (attr store1 < 122.824722631 and attr store1 > 122.024722631 ) or bondedto (attr store1 < 75.082 and attr store1 > 74.282 ) or bondedto (attr store1 < 27.3392773688 and attr store1 > 26.5392773688 ))) 6 0.1 0.1 peak 456 volume 17.62116 ppm1 0.786 ppm2 8.689 ! ############### C13_CNnoesy_manual.457 folded + assi (attr store1 < 8.47 and attr store1 > 8.37 ) ((attr store1 < 0.822 and attr store1 > 0.762 ) and (bondedto (attr store1 < 122.800722631 and attr store1 > 122.000722631 ) or bondedto (attr store1 < 75.058 and attr store1 > 74.258 ) or bondedto (attr store1 < 27.3152773688 and attr store1 > 26.5152773688 ))) 6 0.1 0.1 peak 457 volume 15.79480 ppm1 0.792 ppm2 8.420 ! ############### C13_CNnoesy_manual.458 folded + assi (attr store1 < 8.238 and attr store1 > 8.138 ) ((attr store1 < 0.813 and attr store1 > 0.753 ) and (bondedto (attr store1 < 122.816722631 and attr store1 > 122.016722631 ) or bondedto (attr store1 < 75.074 and attr store1 > 74.274 ) or bondedto (attr store1 < 27.3312773688 and attr store1 > 26.5312773688 ))) 6 0.1 0.1 peak 458 volume 20.62763 ppm1 0.783 ppm2 8.188 ! ############### C13_CNnoesy_manual.459 folded + assi (attr store1 < 7.326 and attr store1 > 7.226 ) ((attr store1 < 0.813 and attr store1 > 0.753 ) and (bondedto (attr store1 < 122.821722631 and attr store1 > 122.021722631 ) or bondedto (attr store1 < 75.079 and attr store1 > 74.279 ) or bondedto (attr store1 < 27.3362773688 and attr store1 > 26.5362773688 ))) 6 0.1 0.1 peak 459 volume 9.43608 ppm1 0.783 ppm2 7.276 ! ############### C13_CNnoesy_manual.460 folded + assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 0.814 and attr store1 > 0.754 ) and (bondedto (attr store1 < 122.782722631 and attr store1 > 121.982722631 ) or bondedto (attr store1 < 75.04 and attr store1 > 74.24 ) or bondedto (attr store1 < 27.2972773688 and attr store1 > 26.4972773688 ))) 6 0.1 0.1 peak 460 volume 8.49448 ppm1 0.784 ppm2 4.837 ! ############### C13_CNnoesy_manual.461 folded + assi (attr store1 < 4.24 and attr store1 > 4.14 ) ((attr store1 < 0.814 and attr store1 > 0.754 ) and (bondedto (attr store1 < 122.829722631 and attr store1 > 122.029722631 ) or bondedto (attr store1 < 75.087 and attr store1 > 74.287 ) or bondedto (attr store1 < 27.3442773688 and attr store1 > 26.5442773688 ))) 6 0.1 0.1 peak 461 volume 23.15647 ppm1 0.784 ppm2 4.190 ! ############### C13_CNnoesy_manual.462 folded + assi (attr store1 < 3.853 and attr store1 > 3.753 ) ((attr store1 < 0.815 and attr store1 > 0.755 ) and (bondedto (attr store1 < 122.837722631 and attr store1 > 122.037722631 ) or bondedto (attr store1 < 75.095 and attr store1 > 74.295 ) or bondedto (attr store1 < 27.3522773688 and attr store1 > 26.5522773688 ))) 6 0.1 0.1 peak 462 volume 31.33783 ppm1 0.785 ppm2 3.803 ! ############### C13_CNnoesy_manual.463 folded + assi (attr store1 < 3.531 and attr store1 > 3.431 ) ((attr store1 < 0.82 and attr store1 > 0.76 ) and (bondedto (attr store1 < 122.790722631 and attr store1 > 121.990722631 ) or bondedto (attr store1 < 75.048 and attr store1 > 74.248 ) or bondedto (attr store1 < 27.3052773688 and attr store1 > 26.5052773688 ))) 6 0.1 0.1 peak 463 volume 27.80534 ppm1 0.790 ppm2 3.481 ! ############### C13_CNnoesy_manual.464 folded + assi (attr store1 < 2.011 and attr store1 > 1.911 ) ((attr store1 < 0.815 and attr store1 > 0.755 ) and (bondedto (attr store1 < 122.808722631 and attr store1 > 122.008722631 ) or bondedto (attr store1 < 75.066 and attr store1 > 74.266 ) or bondedto (attr store1 < 27.3232773688 and attr store1 > 26.5232773688 ))) 6 0.1 0.1 peak 464 volume 169.84805 ppm1 0.785 ppm2 1.961 ! ############### C13_CNnoesy_manual.465 folded + assi (attr store1 < 1.554 and attr store1 > 1.454 ) ((attr store1 < 0.814 and attr store1 > 0.754 ) and (bondedto (attr store1 < 122.841722631 and attr store1 > 122.041722631 ) or bondedto (attr store1 < 75.099 and attr store1 > 74.299 ) or bondedto (attr store1 < 27.3562773688 and attr store1 > 26.5562773688 ))) 6 0.1 0.1 peak 465 volume 83.22581 ppm1 0.784 ppm2 1.504 ! ############### C13_CNnoesy_manual.466 folded + assi (attr store1 < 0.841 and attr store1 > 0.741 ) ((attr store1 < 0.82 and attr store1 > 0.76 ) and (bondedto (attr store1 < 122.798722631 and attr store1 > 121.998722631 ) or bondedto (attr store1 < 75.056 and attr store1 > 74.256 ) or bondedto (attr store1 < 27.3132773688 and attr store1 > 26.5132773688 ))) 6 0.1 0.1 peak 466 volume 2848.13501 ppm1 0.790 ppm2 0.791 ! ############### C13_CNnoesy_manual.467 folded - assi (attr store1 < 4.806 and attr store1 > 4.706 ) ((attr store1 < 3.953 and attr store1 > 3.893 ) and (bondedto (attr store1 < 146.694083947 and attr store1 > 145.894083947 ) or bondedto (attr store1 < 51.2086386844 and attr store1 > 50.4086386844 ))) 6 0.1 0.1 peak 467 volume 20.91127 ppm1 3.923 ppm2 4.756 ! ############### C13_CNnoesy_manual.468 folded - assi (attr store1 < 3.974 and attr store1 > 3.874 ) ((attr store1 < 3.954 and attr store1 > 3.894 ) and (bondedto (attr store1 < 146.709083947 and attr store1 > 145.909083947 ) or bondedto (attr store1 < 51.2236386844 and attr store1 > 50.4236386844 ))) 6 0.1 0.1 peak 468 volume 2602.19556 ppm1 3.924 ppm2 3.924 ! ############### C13_CNnoesy_manual.469 folded - assi (attr store1 < 3.834 and attr store1 > 3.734 ) ((attr store1 < 3.954 and attr store1 > 3.894 ) and (bondedto (attr store1 < 146.722083947 and attr store1 > 145.922083947 ) or bondedto (attr store1 < 51.2366386844 and attr store1 > 50.4366386844 ))) 6 0.1 0.1 peak 469 volume 560.19543 ppm1 3.924 ppm2 3.784 ! ############### C13_CNnoesy_manual.470 folded - assi (attr store1 < 2.184 and attr store1 > 2.084 ) ((attr store1 < 3.956 and attr store1 > 3.896 ) and (bondedto (attr store1 < 146.695083947 and attr store1 > 145.895083947 ) or bondedto (attr store1 < 51.2096386844 and attr store1 > 50.4096386844 ))) 6 0.1 0.1 peak 470 volume 27.10658 ppm1 3.926 ppm2 2.134 ! ############### C13_CNnoesy_manual.471 folded - assi (attr store1 < 4.807 and attr store1 > 4.707 ) ((attr store1 < 3.815 and attr store1 > 3.755 ) and (bondedto (attr store1 < 146.714083947 and attr store1 > 145.914083947 ) or bondedto (attr store1 < 51.2286386844 and attr store1 > 50.4286386844 ))) 6 0.1 0.1 peak 471 volume 15.98992 ppm1 3.785 ppm2 4.757 ! ############### C13_CNnoesy_manual.472 folded - assi (attr store1 < 3.976 and attr store1 > 3.876 ) ((attr store1 < 3.816 and attr store1 > 3.756 ) and (bondedto (attr store1 < 146.710083947 and attr store1 > 145.910083947 ) or bondedto (attr store1 < 51.2246386844 and attr store1 > 50.4246386844 ))) 6 0.1 0.1 peak 472 volume 583.8894 ppm1 3.786 ppm2 3.926 ! ############### C13_CNnoesy_manual.473 folded - assi (attr store1 < 3.836 and attr store1 > 3.736 ) ((attr store1 < 3.815 and attr store1 > 3.755 ) and (bondedto (attr store1 < 146.718083947 and attr store1 > 145.918083947 ) or bondedto (attr store1 < 51.2326386844 and attr store1 > 50.4326386844 ))) 6 0.1 0.1 peak 473 volume 2594.97681 ppm1 3.785 ppm2 3.786 ! ############### C13_CNnoesy_manual.474 folded - assi (attr store1 < 2.177 and attr store1 > 2.077 ) ((attr store1 < 3.815 and attr store1 > 3.755 ) and (bondedto (attr store1 < 146.722083947 and attr store1 > 145.922083947 ) or bondedto (attr store1 < 51.2366386844 and attr store1 > 50.4366386844 ))) 6 0.1 0.1 peak 474 volume 25.60101 ppm1 3.785 ppm2 2.127 ! ############### C13_CNnoesy_manual.475 folded + assi (attr store1 < 0.85 and attr store1 > 0.75 ) ((attr store1 < 1.963 and attr store1 > 1.903 ) and (bondedto (attr store1 < 122.709722631 and attr store1 > 121.909722631 ) or bondedto (attr store1 < 74.967 and attr store1 > 74.167 ) or bondedto (attr store1 < 27.2242773688 and attr store1 > 26.4242773688 ))) 6 0.1 0.1 peak 475 volume 98.01126 ppm1 1.933 ppm2 0.800 ! ############### C13_CNnoesy_manual.476 folded + assi (attr store1 < 3.04 and attr store1 > 2.94 ) ((attr store1 < 0.826 and attr store1 > 0.766 ) and (bondedto (attr store1 < 122.728722631 and attr store1 > 121.928722631 ) or bondedto (attr store1 < 74.986 and attr store1 > 74.186 ) or bondedto (attr store1 < 27.2432773688 and attr store1 > 26.4432773688 ))) 6 0.1 0.1 peak 476 volume 10.26689 ppm1 0.796 ppm2 2.990 ! ############### C13_CNnoesy_manual.477 folded + assi (attr store1 < 4.136 and attr store1 > 4.036 ) ((attr store1 < 0.822 and attr store1 > 0.762 ) and (bondedto (attr store1 < 122.766722631 and attr store1 > 121.966722631 ) or bondedto (attr store1 < 75.024 and attr store1 > 74.224 ) or bondedto (attr store1 < 27.2812773688 and attr store1 > 26.4812773688 ))) 6 0.1 0.1 peak 477 volume 20.16237 ppm1 0.792 ppm2 4.086 ! ############### C13_CNnoesy_manual.478 folded + assi (attr store1 < 2.001 and attr store1 > 1.901 ) ((attr store1 < 1.974 and attr store1 > 1.914 ) and (bondedto (attr store1 < 122.593722631 and attr store1 > 121.793722631 ) or bondedto (attr store1 < 74.851 and attr store1 > 74.051 ) or bondedto (attr store1 < 27.1082773688 and attr store1 > 26.3082773688 ))) 6 0.1 0.1 peak 478 volume 124.04981 ppm1 1.944 ppm2 1.951 ! ############### C13_CNnoesy_manual.479 folded + assi (attr store1 < 8.24 and attr store1 > 8.14 ) ((attr store1 < 1.963 and attr store1 > 1.903 ) and (bondedto (attr store1 < 122.537722631 and attr store1 > 121.737722631 ) or bondedto (attr store1 < 74.795 and attr store1 > 73.995 ) or bondedto (attr store1 < 27.0522773688 and attr store1 > 26.2522773688 ))) 6 0.1 0.1 peak 479 volume 17.39769 ppm1 1.933 ppm2 8.190 ! ############### C13_CNnoesy_manual.480 folded - assi (attr store1 < 7.234 and attr store1 > 7.134 ) ((attr store1 < 7.752 and attr store1 > 7.692 ) and (bondedto (attr store1 < 146.381083947 and attr store1 > 145.581083947 ) or bondedto (attr store1 < 50.8956386844 and attr store1 > 50.0956386844 ))) 6 0.1 0.1 peak 480 volume 56.15095 ppm1 7.722 ppm2 7.184 ! ############### C13_CNnoesy_manual.481 folded - assi (attr store1 < 7.774 and attr store1 > 7.674 ) ((attr store1 < 7.217 and attr store1 > 7.157 ) and (bondedto (attr store1 < 146.422083947 and attr store1 > 145.622083947 ) or bondedto (attr store1 < 50.9366386844 and attr store1 > 50.1366386844 ))) 6 0.1 0.1 peak 481 volume 34.74286 ppm1 7.187 ppm2 7.724 ! ############### C13_CNnoesy_manual.482 folded + assi (attr store1 < 7.233 and attr store1 > 7.133 ) ((attr store1 < 7.215 and attr store1 > 7.155 ) and (bondedto (attr store1 < 122.414722631 and attr store1 > 121.614722631 ) or bondedto (attr store1 < 74.672 and attr store1 > 73.872 ) or bondedto (attr store1 < 26.9292773688 and attr store1 > 26.1292773688 ))) 6 0.1 0.1 peak 482 volume 304.69250 ppm1 7.185 ppm2 7.183 ! ############### C13_CNnoesy_manual.483 folded + assi (attr store1 < 1.819 and attr store1 > 1.719 ) ((attr store1 < 1.035 and attr store1 > 0.975 ) and (bondedto (attr store1 < 122.463722631 and attr store1 > 121.663722631 ) or bondedto (attr store1 < 74.721 and attr store1 > 73.921 ) or bondedto (attr store1 < 26.9782773688 and attr store1 > 26.1782773688 ))) 6 0.1 0.1 peak 483 volume 36.73006 ppm1 1.005 ppm2 1.769 ! ############### C13_CNnoesy_manual.484 folded + assi (attr store1 < 1.621 and attr store1 > 1.521 ) ((attr store1 < 1.042 and attr store1 > 0.982 ) and (bondedto (attr store1 < 122.438722631 and attr store1 > 121.638722631 ) or bondedto (attr store1 < 74.696 and attr store1 > 73.896 ) or bondedto (attr store1 < 26.9532773688 and attr store1 > 26.1532773688 ))) 6 0.1 0.1 peak 484 volume 40.92980 ppm1 1.012 ppm2 1.571 ! ############### C13_CNnoesy_manual.485 folded - assi (attr store1 < 2.244 and attr store1 > 2.144 ) ((attr store1 < 2.09 and attr store1 > 2.03 ) and (bondedto (attr store1 < 146.343083947 and attr store1 > 145.543083947 ) or bondedto (attr store1 < 50.8576386844 and attr store1 > 50.0576386844 ))) 6 0.1 0.1 peak 485 volume 16.91044 ppm1 2.060 ppm2 2.194 ! ############### C13_CNnoesy_manual.486 folded - assi (attr store1 < 2.277 and attr store1 > 2.177 ) ((attr store1 < 2.057 and attr store1 > 1.997 ) and (bondedto (attr store1 < 146.361083947 and attr store1 > 145.561083947 ) or bondedto (attr store1 < 50.8756386844 and attr store1 > 50.0756386844 ))) 6 0.1 0.1 peak 486 volume 18.7843 ppm1 2.027 ppm2 2.227 ! ############### C13_CNnoesy_manual.487 folded - assi (attr store1 < 1.816 and attr store1 > 1.716 ) ((attr store1 < 1.796 and attr store1 > 1.736 ) and (bondedto (attr store1 < 146.297083947 and attr store1 > 145.497083947 ) or bondedto (attr store1 < 50.8116386844 and attr store1 > 50.0116386844 ))) 6 0.1 0.1 peak 487 volume 217.76245 ppm1 1.766 ppm2 1.766 ! ############### C13_CNnoesy_manual.488 folded + assi (attr store1 < 1.058 and attr store1 > 0.958 ) ((attr store1 < 1.589 and attr store1 > 1.529 ) and (bondedto (attr store1 < 122.354722631 and attr store1 > 121.554722631 ) or bondedto (attr store1 < 74.612 and attr store1 > 73.812 ) or bondedto (attr store1 < 26.8692773688 and attr store1 > 26.0692773688 ))) 6 0.1 0.1 peak 488 volume 27.16120 ppm1 1.559 ppm2 1.008 ! ############### C13_CNnoesy_manual.489 folded - assi (attr store1 < 1.843 and attr store1 > 1.743 ) ((attr store1 < 1.825 and attr store1 > 1.765 ) and (bondedto (attr store1 < 146.246083947 and attr store1 > 145.446083947 ) or bondedto (attr store1 < 50.7606386844 and attr store1 > 49.9606386844 ))) 6 0.1 0.1 peak 489 volume 180.34094 ppm1 1.795 ppm2 1.793 ! ############### C13_CNnoesy_manual.490 folded - assi (attr store1 < 1.35 and attr store1 > 1.25 ) ((attr store1 < 1.353 and attr store1 > 1.293 ) and (bondedto (attr store1 < 146.230083947 and attr store1 > 145.430083947 ) or bondedto (attr store1 < 50.7446386844 and attr store1 > 49.9446386844 ))) 6 0.1 0.1 peak 490 volume 33.98737 ppm1 1.323 ppm2 1.300 ! ############### C13_CNnoesy_manual.491 folded - assi (attr store1 < 0.967 and attr store1 > 0.867 ) ((attr store1 < 0.949 and attr store1 > 0.889 ) and (bondedto (attr store1 < 146.268083947 and attr store1 > 145.468083947 ) or bondedto (attr store1 < 50.7826386844 and attr store1 > 49.9826386844 ))) 6 0.1 0.1 peak 491 volume 268.91467 ppm1 0.919 ppm2 0.917 ! ############### C13_CNnoesy_manual.492 folded + assi (attr store1 < 2.121 and attr store1 > 2.021 ) ((attr store1 < 2.459 and attr store1 > 2.399 ) and (bondedto (attr store1 < 122.212722631 and attr store1 > 121.412722631 ) or bondedto (attr store1 < 74.47 and attr store1 > 73.67 ) or bondedto (attr store1 < 26.7272773688 and attr store1 > 25.9272773688 ))) 6 0.1 0.1 peak 492 volume 12.46136 ppm1 2.429 ppm2 2.071 ! ############### C13_CNnoesy_manual.493 folded + assi (attr store1 < 2.48 and attr store1 > 2.38 ) ((attr store1 < 2.068 and attr store1 > 2.008 ) and (bondedto (attr store1 < 122.202722631 and attr store1 > 121.402722631 ) or bondedto (attr store1 < 74.46 and attr store1 > 73.66 ) or bondedto (attr store1 < 26.7172773688 and attr store1 > 25.9172773688 ))) 6 0.1 0.1 peak 493 volume 8.67474 ppm1 2.038 ppm2 2.430 ! ############### C13_CNnoesy_manual.494 folded + assi (attr store1 < 2.468 and attr store1 > 2.368 ) ((attr store1 < 2.451 and attr store1 > 2.391 ) and (bondedto (attr store1 < 122.031722631 and attr store1 > 121.231722631 ) or bondedto (attr store1 < 74.289 and attr store1 > 73.489 ) or bondedto (attr store1 < 26.5462773688 and attr store1 > 25.7462773688 ))) 6 0.1 0.1 peak 494 volume 10.94845 ppm1 2.421 ppm2 2.418 ! ############### C13_CNnoesy_manual.495 folded + assi (attr store1 < 2.438 and attr store1 > 2.338 ) ((attr store1 < 2.416 and attr store1 > 2.356 ) and (bondedto (attr store1 < 122.046722631 and attr store1 > 121.246722631 ) or bondedto (attr store1 < 74.304 and attr store1 > 73.504 ) or bondedto (attr store1 < 26.5612773688 and attr store1 > 25.7612773688 ))) 6 0.1 0.1 peak 495 volume 10.57624 ppm1 2.386 ppm2 2.388 ! ############### C13_CNnoesy_manual.496 folded + assi (attr store1 < 1.167 and attr store1 > 1.067 ) ((attr store1 < 1.139 and attr store1 > 1.079 ) and (bondedto (attr store1 < 122.088722631 and attr store1 > 121.288722631 ) or bondedto (attr store1 < 74.346 and attr store1 > 73.546 ) or bondedto (attr store1 < 26.6032773688 and attr store1 > 25.8032773688 ))) 6 0.1 0.1 peak 496 volume 39.46705 ppm1 1.109 ppm2 1.117 ! ############### C13_CNnoesy_manual.497 folded + assi (attr store1 < 2.107 and attr store1 > 2.007 ) ((attr store1 < 2.241 and attr store1 > 2.181 ) and (bondedto (attr store1 < 121.818722631 and attr store1 > 121.018722631 ) or bondedto (attr store1 < 74.076 and attr store1 > 73.276 ) or bondedto (attr store1 < 26.3332773688 and attr store1 > 25.5332773688 ))) 6 0.1 0.1 peak 497 volume 20.64844 ppm1 2.211 ppm2 2.057 ! ############### C13_CNnoesy_manual.498 folded + assi (attr store1 < 2.267 and attr store1 > 2.167 ) ((attr store1 < 2.088 and attr store1 > 2.028 ) and (bondedto (attr store1 < 121.826722631 and attr store1 > 121.026722631 ) or bondedto (attr store1 < 74.084 and attr store1 > 73.284 ) or bondedto (attr store1 < 26.3412773688 and attr store1 > 25.5412773688 ))) 6 0.1 0.1 peak 498 volume 15.06250 ppm1 2.058 ppm2 2.217 ! ############### C13_CNnoesy_manual.499 folded + assi (attr store1 < 1.022 and attr store1 > 0.922 ) ((attr store1 < 1.703 and attr store1 > 1.643 ) and (bondedto (attr store1 < 121.791722631 and attr store1 > 120.991722631 ) or bondedto (attr store1 < 74.049 and attr store1 > 73.249 ) or bondedto (attr store1 < 26.3062773688 and attr store1 > 25.5062773688 ))) 6 0.1 0.1 peak 499 volume 47.70444 ppm1 1.673 ppm2 0.972 ! ############### C13_CNnoesy_manual.500 folded + assi (attr store1 < 7.056 and attr store1 > 6.956 ) ((attr store1 < 1.715 and attr store1 > 1.655 ) and (bondedto (attr store1 < 121.705722631 and attr store1 > 120.905722631 ) or bondedto (attr store1 < 73.963 and attr store1 > 73.163 ) or bondedto (attr store1 < 26.2202773688 and attr store1 > 25.4202773688 ))) 6 0.1 0.1 peak 500 volume 14.99092 ppm1 1.685 ppm2 7.006 ! ############### C13_CNnoesy_manual.501 folded + assi (attr store1 < 3.182 and attr store1 > 3.082 ) ((attr store1 < 1.713 and attr store1 > 1.653 ) and (bondedto (attr store1 < 121.699722631 and attr store1 > 120.899722631 ) or bondedto (attr store1 < 73.957 and attr store1 > 73.157 ) or bondedto (attr store1 < 26.2142773688 and attr store1 > 25.4142773688 ))) 6 0.1 0.1 peak 501 volume 20.39478 ppm1 1.683 ppm2 3.132 ! ############### C13_CNnoesy_manual.502 folded + assi (attr store1 < 4.361 and attr store1 > 4.261 ) ((attr store1 < 1.706 and attr store1 > 1.646 ) and (bondedto (attr store1 < 121.732722631 and attr store1 > 120.932722631 ) or bondedto (attr store1 < 73.99 and attr store1 > 73.19 ) or bondedto (attr store1 < 26.2472773688 and attr store1 > 25.4472773688 ))) 6 0.1 0.1 peak 502 volume 22.88124 ppm1 1.676 ppm2 4.311 ! ############### C13_CNnoesy_manual.503 folded + assi (attr store1 < 7.054 and attr store1 > 6.954 ) ((attr store1 < 1.67 and attr store1 > 1.61 ) and (bondedto (attr store1 < 121.708722631 and attr store1 > 120.908722631 ) or bondedto (attr store1 < 73.966 and attr store1 > 73.166 ) or bondedto (attr store1 < 26.2232773688 and attr store1 > 25.4232773688 ))) 6 0.1 0.1 peak 503 volume 14.41989 ppm1 1.640 ppm2 7.004 ! ############### C13_CNnoesy_manual.504 folded + assi (attr store1 < 4.358 and attr store1 > 4.258 ) ((attr store1 < 1.68 and attr store1 > 1.62 ) and (bondedto (attr store1 < 121.715722631 and attr store1 > 120.915722631 ) or bondedto (attr store1 < 73.973 and attr store1 > 73.173 ) or bondedto (attr store1 < 26.2302773688 and attr store1 > 25.4302773688 ))) 6 0.1 0.1 peak 504 volume 22.31391 ppm1 1.650 ppm2 4.308 ! ############### C13_CNnoesy_manual.505 folded + assi (attr store1 < 3.18 and attr store1 > 3.08 ) ((attr store1 < 1.673 and attr store1 > 1.613 ) and (bondedto (attr store1 < 121.702722631 and attr store1 > 120.902722631 ) or bondedto (attr store1 < 73.96 and attr store1 > 73.16 ) or bondedto (attr store1 < 26.2172773688 and attr store1 > 25.4172773688 ))) 6 0.1 0.1 peak 505 volume 20.93336 ppm1 1.643 ppm2 3.130 ! ############### C13_CNnoesy_manual.506 folded + assi (attr store1 < 1.053 and attr store1 > 0.953 ) ((attr store1 < 1.6 and attr store1 > 1.54 ) and (bondedto (attr store1 < 121.700722631 and attr store1 > 120.900722631 ) or bondedto (attr store1 < 73.958 and attr store1 > 73.158 ) or bondedto (attr store1 < 26.2152773688 and attr store1 > 25.4152773688 ))) 6 0.1 0.1 peak 506 volume 38.65123 ppm1 1.570 ppm2 1.003 ! ############### C13_CNnoesy_manual.507 folded + assi (attr store1 < 1.61 and attr store1 > 1.51 ) ((attr store1 < 1.047 and attr store1 > 0.987 ) and (bondedto (attr store1 < 121.709722631 and attr store1 > 120.909722631 ) or bondedto (attr store1 < 73.967 and attr store1 > 73.167 ) or bondedto (attr store1 < 26.2242773688 and attr store1 > 25.4242773688 ))) 6 0.1 0.1 peak 507 volume 59.68476 ppm1 1.017 ppm2 1.560 ! ############### C13_CNnoesy_manual.508 folded + assi (attr store1 < 8.582 and attr store1 > 8.482 ) ((attr store1 < 1.037 and attr store1 > 0.977 ) and (bondedto (attr store1 < 121.735722631 and attr store1 > 120.935722631 ) or bondedto (attr store1 < 73.993 and attr store1 > 73.193 ) or bondedto (attr store1 < 26.2502773688 and attr store1 > 25.4502773688 ))) 6 0.1 0.1 peak 508 volume 5.60891 ppm1 1.007 ppm2 8.532 ! ############### C13_CNnoesy_manual.509 folded + assi (attr store1 < 7.34 and attr store1 > 7.24 ) ((attr store1 < 1.037 and attr store1 > 0.977 ) and (bondedto (attr store1 < 121.694722631 and attr store1 > 120.894722631 ) or bondedto (attr store1 < 73.952 and attr store1 > 73.152 ) or bondedto (attr store1 < 26.2092773688 and attr store1 > 25.4092773688 ))) 6 0.1 0.1 peak 509 volume 13.68512 ppm1 1.007 ppm2 7.290 ! ############### C13_CNnoesy_manual.510 folded + assi (attr store1 < 6.792 and attr store1 > 6.692 ) ((attr store1 < 1.038 and attr store1 > 0.978 ) and (bondedto (attr store1 < 121.668722631 and attr store1 > 120.868722631 ) or bondedto (attr store1 < 73.926 and attr store1 > 73.126 ) or bondedto (attr store1 < 26.1832773688 and attr store1 > 25.3832773688 ))) 6 0.1 0.1 peak 510 volume 34.64536 ppm1 1.008 ppm2 6.742 ! ############### C13_CNnoesy_manual.511 folded + assi (attr store1 < 4.243 and attr store1 > 4.143 ) ((attr store1 < 1.038 and attr store1 > 0.978 ) and (bondedto (attr store1 < 121.654722631 and attr store1 > 120.854722631 ) or bondedto (attr store1 < 73.912 and attr store1 > 73.112 ) or bondedto (attr store1 < 26.1692773688 and attr store1 > 25.3692773688 ))) 6 0.1 0.1 peak 511 volume 44.72804 ppm1 1.008 ppm2 4.193 ! ############### C13_CNnoesy_manual.512 folded + assi (attr store1 < 4.002 and attr store1 > 3.902 ) ((attr store1 < 1.037 and attr store1 > 0.977 ) and (bondedto (attr store1 < 121.657722631 and attr store1 > 120.857722631 ) or bondedto (attr store1 < 73.915 and attr store1 > 73.115 ) or bondedto (attr store1 < 26.1722773688 and attr store1 > 25.3722773688 ))) 6 0.1 0.1 peak 512 volume 14.19553 ppm1 1.007 ppm2 3.952 ! ############### C13_CNnoesy_manual.513 folded + assi (attr store1 < 0.951 and attr store1 > 0.851 ) ((attr store1 < 0.932 and attr store1 > 0.872 ) and (bondedto (attr store1 < 121.723722631 and attr store1 > 120.923722631 ) or bondedto (attr store1 < 73.981 and attr store1 > 73.181 ) or bondedto (attr store1 < 26.2382773688 and attr store1 > 25.4382773688 ))) 6 0.1 0.1 peak 513 volume 133.20834 ppm1 0.902 ppm2 0.901 ! ############### C13_CNnoesy_manual.514 folded + assi (attr store1 < 3.118 and attr store1 > 3.018 ) ((attr store1 < 1.041 and attr store1 > 0.981 ) and (bondedto (attr store1 < 121.644722631 and attr store1 > 120.844722631 ) or bondedto (attr store1 < 73.902 and attr store1 > 73.102 ) or bondedto (attr store1 < 26.1592773688 and attr store1 > 25.3592773688 ))) 6 0.1 0.1 peak 514 volume 16.20937 ppm1 1.011 ppm2 3.068 ! ############### C13_CNnoesy_manual.515 folded + assi (attr store1 < 2.176 and attr store1 > 2.076 ) ((attr store1 < 1.04 and attr store1 > 0.98 ) and (bondedto (attr store1 < 121.584722631 and attr store1 > 120.784722631 ) or bondedto (attr store1 < 73.842 and attr store1 > 73.042 ) or bondedto (attr store1 < 26.0992773688 and attr store1 > 25.2992773688 ))) 6 0.1 0.1 peak 515 volume 13.45114 ppm1 1.010 ppm2 2.126 ! ############### C13_CNnoesy_manual.516 folded + assi (attr store1 < 1.818 and attr store1 > 1.718 ) ((attr store1 < 1.039 and attr store1 > 0.979 ) and (bondedto (attr store1 < 121.620722631 and attr store1 > 120.820722631 ) or bondedto (attr store1 < 73.878 and attr store1 > 73.078 ) or bondedto (attr store1 < 26.1352773688 and attr store1 > 25.3352773688 ))) 6 0.1 0.1 peak 516 volume 103.94283 ppm1 1.009 ppm2 1.768 ! ############### C13_CNnoesy_manual.517 folded + assi (attr store1 < 1.718 and attr store1 > 1.618 ) ((attr store1 < 1.691 and attr store1 > 1.631 ) and (bondedto (attr store1 < 121.547722631 and attr store1 > 120.747722631 ) or bondedto (attr store1 < 73.805 and attr store1 > 73.005 ) or bondedto (attr store1 < 26.0622773688 and attr store1 > 25.2622773688 ))) 6 0.1 0.1 peak 517 volume 667.17133 ppm1 1.661 ppm2 1.668 ! ############### C13_CNnoesy_manual.518 folded + assi (attr store1 < 8.463 and attr store1 > 8.363 ) ((attr store1 < 1.622 and attr store1 > 1.562 ) and (bondedto (attr store1 < 121.503722631 and attr store1 > 120.703722631 ) or bondedto (attr store1 < 73.761 and attr store1 > 72.961 ) or bondedto (attr store1 < 26.0182773688 and attr store1 > 25.2182773688 ))) 6 0.1 0.1 peak 518 volume 9.20294 ppm1 1.592 ppm2 8.413 ! ############### C13_CNnoesy_manual.519 folded + assi (attr store1 < 3.124 and attr store1 > 3.024 ) ((attr store1 < 1.625 and attr store1 > 1.565 ) and (bondedto (attr store1 < 121.479722631 and attr store1 > 120.679722631 ) or bondedto (attr store1 < 73.737 and attr store1 > 72.937 ) or bondedto (attr store1 < 25.9942773688 and attr store1 > 25.1942773688 ))) 6 0.1 0.1 peak 519 volume 16.56431 ppm1 1.595 ppm2 3.074 ! ############### C13_CNnoesy_manual.520 folded + assi (attr store1 < 8.462 and attr store1 > 8.362 ) ((attr store1 < 1.795 and attr store1 > 1.735 ) and (bondedto (attr store1 < 121.461722631 and attr store1 > 120.661722631 ) or bondedto (attr store1 < 73.719 and attr store1 > 72.919 ) or bondedto (attr store1 < 25.9762773688 and attr store1 > 25.1762773688 ))) 6 0.1 0.1 peak 520 volume 12.33515 ppm1 1.765 ppm2 8.412 ! ############### C13_CNnoesy_manual.521 folded + assi (attr store1 < 3.123 and attr store1 > 3.023 ) ((attr store1 < 1.786 and attr store1 > 1.726 ) and (bondedto (attr store1 < 121.402722631 and attr store1 > 120.602722631 ) or bondedto (attr store1 < 73.66 and attr store1 > 72.86 ) or bondedto (attr store1 < 25.9172773688 and attr store1 > 25.1172773688 ))) 6 0.1 0.1 peak 521 volume 14.13851 ppm1 1.756 ppm2 3.073 ! ############### C13_CNnoesy_manual.522 folded + assi (attr store1 < 4.593 and attr store1 > 4.493 ) ((attr store1 < 1.06 and attr store1 > 1.0 ) and (bondedto (attr store1 < 121.436722631 and attr store1 > 120.636722631 ) or bondedto (attr store1 < 73.694 and attr store1 > 72.894 ) or bondedto (attr store1 < 25.9512773688 and attr store1 > 25.1512773688 ))) 6 0.1 0.1 peak 522 volume 20.45418 ppm1 1.030 ppm2 4.543 ! ############### C13_CNnoesy_manual.523 folded + assi (attr store1 < 2.509 and attr store1 > 2.409 ) ((attr store1 < 1.063 and attr store1 > 1.003 ) and (bondedto (attr store1 < 121.451722631 and attr store1 > 120.651722631 ) or bondedto (attr store1 < 73.709 and attr store1 > 72.909 ) or bondedto (attr store1 < 25.9662773688 and attr store1 > 25.1662773688 ))) 6 0.1 0.1 peak 523 volume 11.60771 ppm1 1.033 ppm2 2.459 ! ############### C13_CNnoesy_manual.524 folded + assi (attr store1 < 8.025 and attr store1 > 7.925 ) ((attr store1 < 1.057 and attr store1 > 0.997 ) and (bondedto (attr store1 < 121.382722631 and attr store1 > 120.582722631 ) or bondedto (attr store1 < 73.64 and attr store1 > 72.84 ) or bondedto (attr store1 < 25.8972773688 and attr store1 > 25.0972773688 ))) 6 0.1 0.1 peak 524 volume 6.53096 ppm1 1.027 ppm2 7.975 ! ############### C13_CNnoesy_manual.525 folded + assi (attr store1 < 4.174 and attr store1 > 4.074 ) ((attr store1 < 1.786 and attr store1 > 1.726 ) and (bondedto (attr store1 < 121.339722631 and attr store1 > 120.539722631 ) or bondedto (attr store1 < 73.597 and attr store1 > 72.797 ) or bondedto (attr store1 < 25.8542773688 and attr store1 > 25.0542773688 ))) 6 0.1 0.1 peak 525 volume 19.23891 ppm1 1.756 ppm2 4.124 ! ############### C13_CNnoesy_manual.526 folded + assi (attr store1 < 2.048 and attr store1 > 1.948 ) ((attr store1 < 1.781 and attr store1 > 1.721 ) and (bondedto (attr store1 < 121.320722631 and attr store1 > 120.520722631 ) or bondedto (attr store1 < 73.578 and attr store1 > 72.778 ) or bondedto (attr store1 < 25.8352773688 and attr store1 > 25.0352773688 ))) 6 0.1 0.1 peak 526 volume 118.16265 ppm1 1.751 ppm2 1.998 ! ############### C13_CNnoesy_manual.527 folded + assi (attr store1 < 1.81 and attr store1 > 1.71 ) ((attr store1 < 1.782 and attr store1 > 1.722 ) and (bondedto (attr store1 < 121.330722631 and attr store1 > 120.530722631 ) or bondedto (attr store1 < 73.588 and attr store1 > 72.788 ) or bondedto (attr store1 < 25.8452773688 and attr store1 > 25.0452773688 ))) 6 0.1 0.1 peak 527 volume 589.05890 ppm1 1.752 ppm2 1.760 ! ############### C13_CNnoesy_manual.528 folded + assi (attr store1 < 2.025 and attr store1 > 1.925 ) ((attr store1 < 1.71 and attr store1 > 1.65 ) and (bondedto (attr store1 < 121.333722631 and attr store1 > 120.533722631 ) or bondedto (attr store1 < 73.591 and attr store1 > 72.791 ) or bondedto (attr store1 < 25.8482773688 and attr store1 > 25.0482773688 ))) 6 0.1 0.1 peak 528 volume 73.86537 ppm1 1.680 ppm2 1.975 ! ############### C13_CNnoesy_manual.529 folded + assi (attr store1 < 3.117 and attr store1 > 3.017 ) ((attr store1 < 1.587 and attr store1 > 1.527 ) and (bondedto (attr store1 < 121.285722631 and attr store1 > 120.485722631 ) or bondedto (attr store1 < 73.543 and attr store1 > 72.743 ) or bondedto (attr store1 < 25.8002773688 and attr store1 > 25.0002773688 ))) 6 0.1 0.1 peak 529 volume 19.68987 ppm1 1.557 ppm2 3.067 ! ############### C13_CNnoesy_manual.530 folded + assi (attr store1 < 4.618 and attr store1 > 4.518 ) ((attr store1 < 7.752 and attr store1 > 7.692 ) and (bondedto (attr store1 < 121.265722631 and attr store1 > 120.465722631 ) or bondedto (attr store1 < 73.523 and attr store1 > 72.723 ) or bondedto (attr store1 < 25.7802773688 and attr store1 > 24.9802773688 ))) 6 0.1 0.1 peak 530 volume 14.86324 ppm1 7.722 ppm2 4.568 ! ############### C13_CNnoesy_manual.531 folded + assi (attr store1 < 1.767 and attr store1 > 1.667 ) ((attr store1 < 2.014 and attr store1 > 1.954 ) and (bondedto (attr store1 < 121.231722631 and attr store1 > 120.431722631 ) or bondedto (attr store1 < 73.489 and attr store1 > 72.689 ) or bondedto (attr store1 < 25.7462773688 and attr store1 > 24.9462773688 ))) 6 0.1 0.1 peak 531 volume 33.85956 ppm1 1.984 ppm2 1.717 ! ############### C13_CNnoesy_manual.532 folded + assi (attr store1 < 1.61 and attr store1 > 1.51 ) ((attr store1 < 2.013 and attr store1 > 1.953 ) and (bondedto (attr store1 < 121.225722631 and attr store1 > 120.425722631 ) or bondedto (attr store1 < 73.483 and attr store1 > 72.683 ) or bondedto (attr store1 < 25.7402773688 and attr store1 > 24.9402773688 ))) 6 0.1 0.1 peak 532 volume 42.98484 ppm1 1.983 ppm2 1.560 ! ############### C13_CNnoesy_manual.533 folded + assi (attr store1 < 4.895 and attr store1 > 4.795 ) ((attr store1 < 1.772 and attr store1 > 1.712 ) and (bondedto (attr store1 < 121.238722631 and attr store1 > 120.438722631 ) or bondedto (attr store1 < 73.496 and attr store1 > 72.696 ) or bondedto (attr store1 < 25.7532773688 and attr store1 > 24.9532773688 ))) 6 0.1 0.1 peak 533 volume 9.15888 ppm1 1.742 ppm2 4.845 ! ############### C13_CNnoesy_manual.534 folded + assi (attr store1 < 7.857 and attr store1 > 7.757 ) ((attr store1 < 1.707 and attr store1 > 1.647 ) and (bondedto (attr store1 < 121.278722631 and attr store1 > 120.478722631 ) or bondedto (attr store1 < 73.536 and attr store1 > 72.736 ) or bondedto (attr store1 < 25.7932773688 and attr store1 > 24.9932773688 ))) 6 0.1 0.1 peak 534 volume 9.36157 ppm1 1.677 ppm2 7.807 ! ############### C13_CNnoesy_manual.535 folded + assi (attr store1 < 4.182 and attr store1 > 4.082 ) ((attr store1 < 1.706 and attr store1 > 1.646 ) and (bondedto (attr store1 < 121.267722631 and attr store1 > 120.467722631 ) or bondedto (attr store1 < 73.525 and attr store1 > 72.725 ) or bondedto (attr store1 < 25.7822773688 and attr store1 > 24.9822773688 ))) 6 0.1 0.1 peak 535 volume 19.00090 ppm1 1.676 ppm2 4.132 ! ############### C13_CNnoesy_manual.536 folded + assi (attr store1 < 3.088 and attr store1 > 2.988 ) ((attr store1 < 1.708 and attr store1 > 1.648 ) and (bondedto (attr store1 < 121.258722631 and attr store1 > 120.458722631 ) or bondedto (attr store1 < 73.516 and attr store1 > 72.716 ) or bondedto (attr store1 < 25.7732773688 and attr store1 > 24.9732773688 ))) 6 0.1 0.1 peak 536 volume 13.75276 ppm1 1.678 ppm2 3.038 ! ############### C13_CNnoesy_manual.537 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 1.585 and attr store1 > 1.525 ) and (bondedto (attr store1 < 121.229722631 and attr store1 > 120.429722631 ) or bondedto (attr store1 < 73.487 and attr store1 > 72.687 ) or bondedto (attr store1 < 25.7442773688 and attr store1 > 24.9442773688 ))) 6 0.1 0.1 peak 537 volume 13.54350 ppm1 1.555 ppm2 4.839 ! ############### C13_CNnoesy_manual.538 folded + assi (attr store1 < 4.167 and attr store1 > 4.067 ) ((attr store1 < 1.585 and attr store1 > 1.525 ) and (bondedto (attr store1 < 121.256722631 and attr store1 > 120.456722631 ) or bondedto (attr store1 < 73.514 and attr store1 > 72.714 ) or bondedto (attr store1 < 25.7712773688 and attr store1 > 24.9712773688 ))) 6 0.1 0.1 peak 538 volume 40.65648 ppm1 1.555 ppm2 4.117 ! ############### C13_CNnoesy_manual.539 folded + assi (attr store1 < 2.026 and attr store1 > 1.926 ) ((attr store1 < 1.586 and attr store1 > 1.526 ) and (bondedto (attr store1 < 121.240722631 and attr store1 > 120.440722631 ) or bondedto (attr store1 < 73.498 and attr store1 > 72.698 ) or bondedto (attr store1 < 25.7552773688 and attr store1 > 24.9552773688 ))) 6 0.1 0.1 peak 539 volume 122.35192 ppm1 1.556 ppm2 1.976 ! ############### C13_CNnoesy_manual.540 folded + assi (attr store1 < 4.476 and attr store1 > 4.376 ) ((attr store1 < 1.04 and attr store1 > 0.98 ) and (bondedto (attr store1 < 121.273722631 and attr store1 > 120.473722631 ) or bondedto (attr store1 < 73.531 and attr store1 > 72.731 ) or bondedto (attr store1 < 25.7882773688 and attr store1 > 24.9882773688 ))) 6 0.1 0.1 peak 540 volume 15.45657 ppm1 1.010 ppm2 4.426 ! ############### C13_CNnoesy_manual.541 folded + assi (attr store1 < 1.059 and attr store1 > 0.959 ) ((attr store1 < 1.041 and attr store1 > 0.981 ) and (bondedto (attr store1 < 121.267722631 and attr store1 > 120.467722631 ) or bondedto (attr store1 < 73.525 and attr store1 > 72.725 ) or bondedto (attr store1 < 25.7822773688 and attr store1 > 24.9822773688 ))) 6 0.1 0.1 peak 541 volume 8548.81152 ppm1 1.011 ppm2 1.009 ! ############### C13_CNnoesy_manual.542 folded + assi (attr store1 < 1.022 and attr store1 > 0.922 ) ((attr store1 < 1.003 and attr store1 > 0.943 ) and (bondedto (attr store1 < 121.255722631 and attr store1 > 120.455722631 ) or bondedto (attr store1 < 73.513 and attr store1 > 72.713 ) or bondedto (attr store1 < 25.7702773688 and attr store1 > 24.9702773688 ))) 6 0.1 0.1 peak 542 volume 9598.72168 ppm1 0.973 ppm2 0.972 ! ############### C13_CNnoesy_manual.543 folded - assi (attr store1 < 7.773 and attr store1 > 7.673 ) ((attr store1 < 7.214 and attr store1 > 7.154 ) and (bondedto (attr store1 < 145.093083947 and attr store1 > 144.293083947 ) or bondedto (attr store1 < 49.6076386844 and attr store1 > 48.8076386844 ))) 6 0.1 0.1 peak 543 volume 52.58799 ppm1 7.184 ppm2 7.723 ! ############### C13_CNnoesy_manual.544 folded - assi (attr store1 < 1.609 and attr store1 > 1.509 ) ((attr store1 < 1.043 and attr store1 > 0.983 ) and (bondedto (attr store1 < 145.077083947 and attr store1 > 144.277083947 ) or bondedto (attr store1 < 49.5916386844 and attr store1 > 48.7916386844 ))) 6 0.1 0.1 peak 544 volume 112.3666 ppm1 1.013 ppm2 1.559 ! ############### C13_CNnoesy_manual.545 folded + assi (attr store1 < 1.805 and attr store1 > 1.705 ) ((attr store1 < 1.582 and attr store1 > 1.522 ) and (bondedto (attr store1 < 121.171722631 and attr store1 > 120.371722631 ) or bondedto (attr store1 < 73.429 and attr store1 > 72.629 ) or bondedto (attr store1 < 25.6862773688 and attr store1 > 24.8862773688 ))) 6 0.1 0.1 peak 545 volume 487.06732 ppm1 1.552 ppm2 1.755 ! ############### C13_CNnoesy_manual.546 folded + assi (attr store1 < 7.858 and attr store1 > 7.758 ) ((attr store1 < 1.578 and attr store1 > 1.518 ) and (bondedto (attr store1 < 121.182722631 and attr store1 > 120.382722631 ) or bondedto (attr store1 < 73.44 and attr store1 > 72.64 ) or bondedto (attr store1 < 25.6972773688 and attr store1 > 24.8972773688 ))) 6 0.1 0.1 peak 546 volume 9.63364 ppm1 1.548 ppm2 7.808 ! ############### C13_CNnoesy_manual.547 folded - assi (attr store1 < 7.232 and attr store1 > 7.132 ) ((attr store1 < 7.751 and attr store1 > 7.691 ) and (bondedto (attr store1 < 145.056083947 and attr store1 > 144.256083947 ) or bondedto (attr store1 < 49.5706386844 and attr store1 > 48.7706386844 ))) 6 0.1 0.1 peak 547 volume 35.70935 ppm1 7.721 ppm2 7.182 ! ############### C13_CNnoesy_manual.548 folded + assi (attr store1 < 1.182 and attr store1 > 1.082 ) ((attr store1 < 1.166 and attr store1 > 1.106 ) and (bondedto (attr store1 < 121.066722631 and attr store1 > 120.266722631 ) or bondedto (attr store1 < 73.324 and attr store1 > 72.524 ) or bondedto (attr store1 < 25.5812773688 and attr store1 > 24.7812773688 ))) 6 0.1 0.1 peak 548 volume 57.84460 ppm1 1.136 ppm2 1.132 ! ############### C13_CNnoesy_manual.549 folded + assi (attr store1 < 7.078 and attr store1 > 6.978 ) ((attr store1 < 1.011 and attr store1 > 0.951 ) and (bondedto (attr store1 < 120.933722631 and attr store1 > 120.133722631 ) or bondedto (attr store1 < 73.191 and attr store1 > 72.391 ) or bondedto (attr store1 < 25.4482773688 and attr store1 > 24.6482773688 ))) 6 0.1 0.1 peak 549 volume 10.97106 ppm1 0.981 ppm2 7.028 ! ############### C13_CNnoesy_manual.550 folded + assi (attr store1 < 4.253 and attr store1 > 4.153 ) ((attr store1 < 1.013 and attr store1 > 0.953 ) and (bondedto (attr store1 < 120.928722631 and attr store1 > 120.128722631 ) or bondedto (attr store1 < 73.186 and attr store1 > 72.386 ) or bondedto (attr store1 < 25.4432773688 and attr store1 > 24.6432773688 ))) 6 0.1 0.1 peak 550 volume 32.65373 ppm1 0.983 ppm2 4.203 ! ############### C13_CNnoesy_manual.551 folded + assi (attr store1 < 4.09 and attr store1 > 3.99 ) ((attr store1 < 1.012 and attr store1 > 0.952 ) and (bondedto (attr store1 < 120.908722631 and attr store1 > 120.108722631 ) or bondedto (attr store1 < 73.166 and attr store1 > 72.366 ) or bondedto (attr store1 < 25.4232773688 and attr store1 > 24.6232773688 ))) 6 0.1 0.1 peak 551 volume 35.32254 ppm1 0.982 ppm2 4.040 ! ############### C13_CNnoesy_manual.552 folded + assi (attr store1 < 2.044 and attr store1 > 1.944 ) ((attr store1 < 1.012 and attr store1 > 0.952 ) and (bondedto (attr store1 < 120.921722631 and attr store1 > 120.121722631 ) or bondedto (attr store1 < 73.179 and attr store1 > 72.379 ) or bondedto (attr store1 < 25.4362773688 and attr store1 > 24.6362773688 ))) 6 0.1 0.1 peak 552 volume 47.20533 ppm1 0.982 ppm2 1.994 ! ############### C13_CNnoesy_manual.553 folded + assi (attr store1 < 0.771 and attr store1 > 0.671 ) ((attr store1 < 1.012 and attr store1 > 0.952 ) and (bondedto (attr store1 < 120.909722631 and attr store1 > 120.109722631 ) or bondedto (attr store1 < 73.167 and attr store1 > 72.367 ) or bondedto (attr store1 < 25.4242773688 and attr store1 > 24.6242773688 ))) 6 0.1 0.1 peak 553 volume 54.55354 ppm1 0.982 ppm2 0.721 ! ############### C13_CNnoesy_manual.554 folded + assi (attr store1 < 2.102 and attr store1 > 2.002 ) ((attr store1 < 2.087 and attr store1 > 2.027 ) and (bondedto (attr store1 < 120.843722631 and attr store1 > 120.043722631 ) or bondedto (attr store1 < 73.101 and attr store1 > 72.301 ) or bondedto (attr store1 < 25.3582773688 and attr store1 > 24.5582773688 ))) 6 0.1 0.1 peak 554 volume 142.50917 ppm1 2.057 ppm2 2.052 ! ############### C13_CNnoesy_manual.555 folded + assi (attr store1 < 2.004 and attr store1 > 1.904 ) ((attr store1 < 1.978 and attr store1 > 1.918 ) and (bondedto (attr store1 < 120.820722631 and attr store1 > 120.020722631 ) or bondedto (attr store1 < 73.078 and attr store1 > 72.278 ) or bondedto (attr store1 < 25.3352773688 and attr store1 > 24.5352773688 ))) 6 0.1 0.1 peak 555 volume 118.66338 ppm1 1.948 ppm2 1.954 ! ############### C13_CNnoesy_manual.556 folded + assi (attr store1 < 1.82 and attr store1 > 1.72 ) ((attr store1 < 1.558 and attr store1 > 1.498 ) and (bondedto (attr store1 < 120.820722631 and attr store1 > 120.020722631 ) or bondedto (attr store1 < 73.078 and attr store1 > 72.278 ) or bondedto (attr store1 < 25.3352773688 and attr store1 > 24.5352773688 ))) 6 0.1 0.1 peak 556 volume 531.87579 ppm1 1.528 ppm2 1.770 ! ############### C13_CNnoesy_manual.557 folded + assi (attr store1 < 8.516 and attr store1 > 8.416 ) ((attr store1 < 1.013 and attr store1 > 0.953 ) and (bondedto (attr store1 < 120.903722631 and attr store1 > 120.103722631 ) or bondedto (attr store1 < 73.161 and attr store1 > 72.361 ) or bondedto (attr store1 < 25.4182773688 and attr store1 > 24.6182773688 ))) 6 0.1 0.1 peak 557 volume 8.51332 ppm1 0.983 ppm2 8.466 ! ############### C13_CNnoesy_manual.558 folded + assi (attr store1 < 4.46 and attr store1 > 4.36 ) ((attr store1 < 1.553 and attr store1 > 1.493 ) and (bondedto (attr store1 < 120.764722631 and attr store1 > 119.964722631 ) or bondedto (attr store1 < 73.022 and attr store1 > 72.222 ) or bondedto (attr store1 < 25.2792773688 and attr store1 > 24.4792773688 ))) 6 0.1 0.1 peak 558 volume 18.89699 ppm1 1.523 ppm2 4.410 ! ############### C13_CNnoesy_manual.559 folded + assi (attr store1 < 1.571 and attr store1 > 1.471 ) ((attr store1 < 1.554 and attr store1 > 1.494 ) and (bondedto (attr store1 < 120.758722631 and attr store1 > 119.958722631 ) or bondedto (attr store1 < 73.016 and attr store1 > 72.216 ) or bondedto (attr store1 < 25.2732773688 and attr store1 > 24.4732773688 ))) 6 0.1 0.1 peak 559 volume 4129.82812 ppm1 1.524 ppm2 1.521 ! ############### C13_CNnoesy_manual.560 folded + assi (attr store1 < 4.884 and attr store1 > 4.784 ) ((attr store1 < 1.54 and attr store1 > 1.48 ) and (bondedto (attr store1 < 120.782722631 and attr store1 > 119.982722631 ) or bondedto (attr store1 < 73.04 and attr store1 > 72.24 ) or bondedto (attr store1 < 25.2972773688 and attr store1 > 24.4972773688 ))) 6 0.1 0.1 peak 560 volume 12.64591 ppm1 1.510 ppm2 4.834 ! ############### C13_CNnoesy_manual.561 folded + assi (attr store1 < 1.33 and attr store1 > 1.23 ) ((attr store1 < 1.32 and attr store1 > 1.26 ) and (bondedto (attr store1 < 120.679722631 and attr store1 > 119.879722631 ) or bondedto (attr store1 < 72.937 and attr store1 > 72.137 ) or bondedto (attr store1 < 25.1942773688 and attr store1 > 24.3942773688 ))) 6 0.1 0.1 peak 561 volume 937.82361 ppm1 1.290 ppm2 1.280 ! ############### C13_CNnoesy_manual.562 folded + assi (attr store1 < 2.959 and attr store1 > 2.859 ) ((attr store1 < 1.306 and attr store1 > 1.246 ) and (bondedto (attr store1 < 120.696722631 and attr store1 > 119.896722631 ) or bondedto (attr store1 < 72.954 and attr store1 > 72.154 ) or bondedto (attr store1 < 25.2112773688 and attr store1 > 24.4112773688 ))) 6 0.1 0.1 peak 562 volume 15.62207 ppm1 1.276 ppm2 2.909 ! ############### C13_CNnoesy_manual.563 folded + assi (attr store1 < 4.07 and attr store1 > 3.97 ) ((attr store1 < 1.303 and attr store1 > 1.243 ) and (bondedto (attr store1 < 120.691722631 and attr store1 > 119.891722631 ) or bondedto (attr store1 < 72.949 and attr store1 > 72.149 ) or bondedto (attr store1 < 25.2062773688 and attr store1 > 24.4062773688 ))) 6 0.1 0.1 peak 563 volume 14.63230 ppm1 1.273 ppm2 4.020 ! ############### C13_CNnoesy_manual.564 folded + assi (attr store1 < 1.832 and attr store1 > 1.732 ) ((attr store1 < 1.301 and attr store1 > 1.241 ) and (bondedto (attr store1 < 120.688722631 and attr store1 > 119.888722631 ) or bondedto (attr store1 < 72.946 and attr store1 > 72.146 ) or bondedto (attr store1 < 25.2032773688 and attr store1 > 24.4032773688 ))) 6 0.1 0.1 peak 564 volume 44.25604 ppm1 1.271 ppm2 1.782 ! ############### C13_CNnoesy_manual.565 folded + assi (attr store1 < 1.673 and attr store1 > 1.573 ) ((attr store1 < 1.296 and attr store1 > 1.236 ) and (bondedto (attr store1 < 120.676722631 and attr store1 > 119.876722631 ) or bondedto (attr store1 < 72.934 and attr store1 > 72.134 ) or bondedto (attr store1 < 25.1912773688 and attr store1 > 24.3912773688 ))) 6 0.1 0.1 peak 565 volume 74.78741 ppm1 1.266 ppm2 1.623 ! ############### C13_CNnoesy_manual.566 folded - assi (attr store1 < 2.187 and attr store1 > 2.087 ) ((attr store1 < 2.169 and attr store1 > 2.109 ) and (bondedto (attr store1 < 144.502083947 and attr store1 > 143.702083947 ) or bondedto (attr store1 < 49.0166386844 and attr store1 > 48.2166386844 ))) 6 0.1 0.1 peak 566 volume 48.65709 ppm1 2.139 ppm2 2.137 ! ############### C13_CNnoesy_manual.567 folded - assi (attr store1 < 1.826 and attr store1 > 1.726 ) ((attr store1 < 1.804 and attr store1 > 1.744 ) and (bondedto (attr store1 < 144.530083947 and attr store1 > 143.730083947 ) or bondedto (attr store1 < 49.0446386844 and attr store1 > 48.2446386844 ))) 6 0.1 0.1 peak 567 volume 391.00818 ppm1 1.774 ppm2 1.776 ! ############### C13_CNnoesy_manual.568 folded - assi (attr store1 < 2.26 and attr store1 > 2.16 ) ((attr store1 < 2.238 and attr store1 > 2.178 ) and (bondedto (attr store1 < 144.414083947 and attr store1 > 143.614083947 ) or bondedto (attr store1 < 48.9286386844 and attr store1 > 48.1286386844 ))) 6 0.1 0.1 peak 568 volume 31.62246 ppm1 2.208 ppm2 2.210 ! ############### C13_CNnoesy_manual.569 folded - assi (attr store1 < 1.941 and attr store1 > 1.841 ) ((attr store1 < 1.922 and attr store1 > 1.862 ) and (bondedto (attr store1 < 144.477083947 and attr store1 > 143.677083947 ) or bondedto (attr store1 < 48.9916386844 and attr store1 > 48.1916386844 ))) 6 0.1 0.1 peak 569 volume 34.95687 ppm1 1.892 ppm2 1.891 ! ############### C13_CNnoesy_manual.570 folded - assi (attr store1 < 1.722 and attr store1 > 1.622 ) ((attr store1 < 1.708 and attr store1 > 1.648 ) and (bondedto (attr store1 < 144.439083947 and attr store1 > 143.639083947 ) or bondedto (attr store1 < 48.9536386844 and attr store1 > 48.1536386844 ))) 6 0.1 0.1 peak 570 volume 122.61983 ppm1 1.678 ppm2 1.672 ! ############### C13_CNnoesy_manual.571 folded - assi (attr store1 < 1.668 and attr store1 > 1.568 ) ((attr store1 < 1.645 and attr store1 > 1.585 ) and (bondedto (attr store1 < 144.485083947 and attr store1 > 143.685083947 ) or bondedto (attr store1 < 48.9996386844 and attr store1 > 48.1996386844 ))) 6 0.1 0.1 peak 571 volume 97.84042 ppm1 1.615 ppm2 1.618 ! ############### C13_CNnoesy_manual.572 folded + assi (attr store1 < 7.153 and attr store1 > 7.053 ) ((attr store1 < 7.133 and attr store1 > 7.073 ) and (bondedto (attr store1 < 120.483722631 and attr store1 > 119.683722631 ) or bondedto (attr store1 < 72.741 and attr store1 > 71.941 ) or bondedto (attr store1 < 24.9982773688 and attr store1 > 24.1982773688 ))) 6 0.1 0.1 peak 572 volume 1350.83191 ppm1 7.103 ppm2 7.103 ! ############### C13_CNnoesy_manual.573 folded + assi (attr store1 < 3.284 and attr store1 > 3.184 ) ((attr store1 < 7.133 and attr store1 > 7.073 ) and (bondedto (attr store1 < 120.443722631 and attr store1 > 119.643722631 ) or bondedto (attr store1 < 72.701 and attr store1 > 71.901 ) or bondedto (attr store1 < 24.9582773688 and attr store1 > 24.1582773688 ))) 6 0.1 0.1 peak 573 volume 14.10972 ppm1 7.103 ppm2 3.234 ! ############### C13_CNnoesy_manual.574 folded + assi (attr store1 < 8.451 and attr store1 > 8.351 ) ((attr store1 < 1.028 and attr store1 > 0.968 ) and (bondedto (attr store1 < 120.448722631 and attr store1 > 119.648722631 ) or bondedto (attr store1 < 72.706 and attr store1 > 71.906 ) or bondedto (attr store1 < 24.9632773688 and attr store1 > 24.1632773688 ))) 6 0.1 0.1 peak 574 volume 9.63087 ppm1 0.998 ppm2 8.401 ! ############### C13_CNnoesy_manual.575 folded + assi (attr store1 < 8.035 and attr store1 > 7.935 ) ((attr store1 < 1.031 and attr store1 > 0.971 ) and (bondedto (attr store1 < 120.451722631 and attr store1 > 119.651722631 ) or bondedto (attr store1 < 72.709 and attr store1 > 71.909 ) or bondedto (attr store1 < 24.9662773688 and attr store1 > 24.1662773688 ))) 6 0.1 0.1 peak 575 volume 8.32043 ppm1 1.001 ppm2 7.985 ! ############### C13_CNnoesy_manual.576 folded + assi (attr store1 < 6.793 and attr store1 > 6.693 ) ((attr store1 < 1.029 and attr store1 > 0.969 ) and (bondedto (attr store1 < 120.511722631 and attr store1 > 119.711722631 ) or bondedto (attr store1 < 72.769 and attr store1 > 71.969 ) or bondedto (attr store1 < 25.0262773688 and attr store1 > 24.2262773688 ))) 6 0.1 0.1 peak 576 volume 7.94561 ppm1 0.999 ppm2 6.743 ! ############### C13_CNnoesy_manual.577 folded + assi (attr store1 < 4.613 and attr store1 > 4.513 ) ((attr store1 < 1.029 and attr store1 > 0.969 ) and (bondedto (attr store1 < 120.457722631 and attr store1 > 119.657722631 ) or bondedto (attr store1 < 72.715 and attr store1 > 71.915 ) or bondedto (attr store1 < 24.9722773688 and attr store1 > 24.1722773688 ))) 6 0.1 0.1 peak 577 volume 26.79239 ppm1 0.999 ppm2 4.563 ! ############### C13_CNnoesy_manual.578 folded + assi (attr store1 < 2.955 and attr store1 > 2.855 ) ((attr store1 < 1.032 and attr store1 > 0.972 ) and (bondedto (attr store1 < 120.458722631 and attr store1 > 119.658722631 ) or bondedto (attr store1 < 72.716 and attr store1 > 71.916 ) or bondedto (attr store1 < 24.9732773688 and attr store1 > 24.1732773688 ))) 6 0.1 0.1 peak 578 volume 12.31089 ppm1 1.002 ppm2 2.905 ! ############### C13_CNnoesy_manual.579 folded + assi (attr store1 < 1.322 and attr store1 > 1.222 ) ((attr store1 < 1.025 and attr store1 > 0.965 ) and (bondedto (attr store1 < 120.450722631 and attr store1 > 119.650722631 ) or bondedto (attr store1 < 72.708 and attr store1 > 71.908 ) or bondedto (attr store1 < 24.9652773688 and attr store1 > 24.1652773688 ))) 6 0.1 0.1 peak 579 volume 64.91368 ppm1 0.995 ppm2 1.272 ! ############### C13_CNnoesy_manual.580 folded + assi (attr store1 < 3.495 and attr store1 > 3.395 ) ((attr store1 < 1.036 and attr store1 > 0.976 ) and (bondedto (attr store1 < 120.440722631 and attr store1 > 119.640722631 ) or bondedto (attr store1 < 72.698 and attr store1 > 71.898 ) or bondedto (attr store1 < 24.9552773688 and attr store1 > 24.1552773688 ))) 6 0.1 0.1 peak 580 volume 5.56134 ppm1 1.006 ppm2 3.445 ! ############### C13_CNnoesy_manual.581 folded + assi (attr store1 < 8.234 and attr store1 > 8.134 ) ((attr store1 < 1.03 and attr store1 > 0.97 ) and (bondedto (attr store1 < 120.423722631 and attr store1 > 119.623722631 ) or bondedto (attr store1 < 72.681 and attr store1 > 71.881 ) or bondedto (attr store1 < 24.9382773688 and attr store1 > 24.1382773688 ))) 6 0.1 0.1 peak 581 volume 22.23001 ppm1 1.000 ppm2 8.184 ! ############### C13_CNnoesy_manual.582 folded + assi (attr store1 < 7.774 and attr store1 > 7.674 ) ((attr store1 < 1.031 and attr store1 > 0.971 ) and (bondedto (attr store1 < 120.424722631 and attr store1 > 119.624722631 ) or bondedto (attr store1 < 72.682 and attr store1 > 71.882 ) or bondedto (attr store1 < 24.9392773688 and attr store1 > 24.1392773688 ))) 6 0.1 0.1 peak 582 volume 18.30501 ppm1 1.001 ppm2 7.724 ! ############### C13_CNnoesy_manual.583 folded + assi (attr store1 < 7.237 and attr store1 > 7.137 ) ((attr store1 < 1.032 and attr store1 > 0.972 ) and (bondedto (attr store1 < 120.356722631 and attr store1 > 119.556722631 ) or bondedto (attr store1 < 72.614 and attr store1 > 71.814 ) or bondedto (attr store1 < 24.8712773688 and attr store1 > 24.0712773688 ))) 6 0.1 0.1 peak 583 volume 12.60850 ppm1 1.002 ppm2 7.187 ! ############### C13_CNnoesy_manual.584 folded + assi (attr store1 < 4.346 and attr store1 > 4.246 ) ((attr store1 < 1.031 and attr store1 > 0.971 ) and (bondedto (attr store1 < 120.420722631 and attr store1 > 119.620722631 ) or bondedto (attr store1 < 72.678 and attr store1 > 71.878 ) or bondedto (attr store1 < 24.9352773688 and attr store1 > 24.1352773688 ))) 6 0.1 0.1 peak 584 volume 103.14940 ppm1 1.001 ppm2 4.296 ! ############### C13_CNnoesy_manual.585 folded + assi (attr store1 < 3.113 and attr store1 > 3.013 ) ((attr store1 < 1.031 and attr store1 > 0.971 ) and (bondedto (attr store1 < 120.414722631 and attr store1 > 119.614722631 ) or bondedto (attr store1 < 72.672 and attr store1 > 71.872 ) or bondedto (attr store1 < 24.9292773688 and attr store1 > 24.1292773688 ))) 6 0.1 0.1 peak 585 volume 28.95414 ppm1 1.001 ppm2 3.063 ! ############### C13_CNnoesy_manual.586 folded + assi (attr store1 < 1.841 and attr store1 > 1.741 ) ((attr store1 < 1.03 and attr store1 > 0.97 ) and (bondedto (attr store1 < 120.398722631 and attr store1 > 119.598722631 ) or bondedto (attr store1 < 72.656 and attr store1 > 71.856 ) or bondedto (attr store1 < 24.9132773688 and attr store1 > 24.1132773688 ))) 6 0.1 0.1 peak 586 volume 277.47882 ppm1 1.000 ppm2 1.791 ! ############### C13_CNnoesy_manual.587 folded + assi (attr store1 < 1.418 and attr store1 > 1.318 ) ((attr store1 < 1.025 and attr store1 > 0.965 ) and (bondedto (attr store1 < 120.411722631 and attr store1 > 119.611722631 ) or bondedto (attr store1 < 72.669 and attr store1 > 71.869 ) or bondedto (attr store1 < 24.9262773688 and attr store1 > 24.1262773688 ))) 6 0.1 0.1 peak 587 volume 29.12688 ppm1 0.995 ppm2 1.368 ! ############### C13_CNnoesy_manual.588 folded + assi (attr store1 < 1.218 and attr store1 > 1.118 ) ((attr store1 < 1.029 and attr store1 > 0.969 ) and (bondedto (attr store1 < 120.415722631 and attr store1 > 119.615722631 ) or bondedto (attr store1 < 72.673 and attr store1 > 71.873 ) or bondedto (attr store1 < 24.9302773688 and attr store1 > 24.1302773688 ))) 6 0.1 0.1 peak 588 volume 163.27950 ppm1 0.999 ppm2 1.168 ! ############### C13_CNnoesy_manual.589 folded + assi (attr store1 < 1.051 and attr store1 > 0.951 ) ((attr store1 < 1.031 and attr store1 > 0.971 ) and (bondedto (attr store1 < 120.431722631 and attr store1 > 119.631722631 ) or bondedto (attr store1 < 72.689 and attr store1 > 71.889 ) or bondedto (attr store1 < 24.9462773688 and attr store1 > 24.1462773688 ))) 6 0.1 0.1 peak 589 volume 10967.11621 ppm1 1.001 ppm2 1.001 ! ############### C13_CNnoesy_manual.590 folded - assi (attr store1 < 2.093 and attr store1 > 1.993 ) ((attr store1 < 2.073 and attr store1 > 2.013 ) and (bondedto (attr store1 < 144.243083947 and attr store1 > 143.443083947 ) or bondedto (attr store1 < 48.7576386844 and attr store1 > 47.9576386844 ))) 6 0.1 0.1 peak 590 volume 33.31803 ppm1 2.043 ppm2 2.043 ! ############### C13_CNnoesy_manual.591 folded + assi (attr store1 < 1.163 and attr store1 > 1.063 ) ((attr store1 < 1.166 and attr store1 > 1.106 ) and (bondedto (attr store1 < 120.346722631 and attr store1 > 119.546722631 ) or bondedto (attr store1 < 72.604 and attr store1 > 71.804 ) or bondedto (attr store1 < 24.8612773688 and attr store1 > 24.0612773688 ))) 6 0.1 0.1 peak 591 volume 99.15747 ppm1 1.136 ppm2 1.113 ! ############### C13_CNnoesy_manual.592 folded + assi (attr store1 < 3.151 and attr store1 > 3.051 ) ((attr store1 < 1.087 and attr store1 > 1.027 ) and (bondedto (attr store1 < 120.296722631 and attr store1 > 119.496722631 ) or bondedto (attr store1 < 72.554 and attr store1 > 71.754 ) or bondedto (attr store1 < 24.8112773688 and attr store1 > 24.0112773688 ))) 6 0.1 0.1 peak 592 volume 14.94885 ppm1 1.057 ppm2 3.101 ! ############### C13_CNnoesy_manual.593 folded + assi (attr store1 < 2.952 and attr store1 > 2.852 ) ((attr store1 < 1.085 and attr store1 > 1.025 ) and (bondedto (attr store1 < 120.308722631 and attr store1 > 119.508722631 ) or bondedto (attr store1 < 72.566 and attr store1 > 71.766 ) or bondedto (attr store1 < 24.8232773688 and attr store1 > 24.0232773688 ))) 6 0.1 0.1 peak 593 volume 9.42294 ppm1 1.055 ppm2 2.902 ! ############### C13_CNnoesy_manual.594 folded + assi (attr store1 < 2.512 and attr store1 > 2.412 ) ((attr store1 < 1.084 and attr store1 > 1.024 ) and (bondedto (attr store1 < 120.290722631 and attr store1 > 119.490722631 ) or bondedto (attr store1 < 72.548 and attr store1 > 71.748 ) or bondedto (attr store1 < 24.8052773688 and attr store1 > 24.0052773688 ))) 6 0.1 0.1 peak 594 volume 46.55375 ppm1 1.054 ppm2 2.462 ! ############### C13_CNnoesy_manual.595 folded + assi (attr store1 < 8.01 and attr store1 > 7.91 ) ((attr store1 < 1.084 and attr store1 > 1.024 ) and (bondedto (attr store1 < 120.280722631 and attr store1 > 119.480722631 ) or bondedto (attr store1 < 72.538 and attr store1 > 71.738 ) or bondedto (attr store1 < 24.7952773688 and attr store1 > 23.9952773688 ))) 6 0.1 0.1 peak 595 volume 24.92816 ppm1 1.054 ppm2 7.960 ! ############### C13_CNnoesy_manual.596 folded + assi (attr store1 < 7.681 and attr store1 > 7.581 ) ((attr store1 < 1.083 and attr store1 > 1.023 ) and (bondedto (attr store1 < 120.271722631 and attr store1 > 119.471722631 ) or bondedto (attr store1 < 72.529 and attr store1 > 71.729 ) or bondedto (attr store1 < 24.7862773688 and attr store1 > 23.9862773688 ))) 6 0.1 0.1 peak 596 volume 10.27619 ppm1 1.053 ppm2 7.631 ! ############### C13_CNnoesy_manual.597 folded + assi (attr store1 < 6.561 and attr store1 > 6.461 ) ((attr store1 < 1.083 and attr store1 > 1.023 ) and (bondedto (attr store1 < 120.280722631 and attr store1 > 119.480722631 ) or bondedto (attr store1 < 72.538 and attr store1 > 71.738 ) or bondedto (attr store1 < 24.7952773688 and attr store1 > 23.9952773688 ))) 6 0.1 0.1 peak 597 volume 21.27470 ppm1 1.053 ppm2 6.511 ! ############### C13_CNnoesy_manual.598 folded + assi (attr store1 < 4.594 and attr store1 > 4.494 ) ((attr store1 < 1.083 and attr store1 > 1.023 ) and (bondedto (attr store1 < 120.288722631 and attr store1 > 119.488722631 ) or bondedto (attr store1 < 72.546 and attr store1 > 71.746 ) or bondedto (attr store1 < 24.8032773688 and attr store1 > 24.0032773688 ))) 6 0.1 0.1 peak 598 volume 86.55345 ppm1 1.053 ppm2 4.544 ! ############### C13_CNnoesy_manual.599 folded + assi (attr store1 < 1.758 and attr store1 > 1.658 ) ((attr store1 < 1.082 and attr store1 > 1.022 ) and (bondedto (attr store1 < 120.268722631 and attr store1 > 119.468722631 ) or bondedto (attr store1 < 72.526 and attr store1 > 71.726 ) or bondedto (attr store1 < 24.7832773688 and attr store1 > 23.9832773688 ))) 6 0.1 0.1 peak 599 volume 155.72188 ppm1 1.052 ppm2 1.708 ! ############### C13_CNnoesy_manual.600 folded + assi (attr store1 < 3.082 and attr store1 > 2.982 ) ((attr store1 < 7.238 and attr store1 > 7.178 ) and (bondedto (attr store1 < 120.162722631 and attr store1 > 119.362722631 ) or bondedto (attr store1 < 72.42 and attr store1 > 71.62 ) or bondedto (attr store1 < 24.6772773688 and attr store1 > 23.8772773688 ))) 6 0.1 0.1 peak 600 volume 10.28621 ppm1 7.208 ppm2 3.032 ! ############### C13_CNnoesy_manual.601 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 7.132 and attr store1 > 7.072 ) and (bondedto (attr store1 < 120.250722631 and attr store1 > 119.450722631 ) or bondedto (attr store1 < 72.508 and attr store1 > 71.708 ) or bondedto (attr store1 < 24.7652773688 and attr store1 > 23.9652773688 ))) 6 0.1 0.1 peak 601 volume 18.44110 ppm1 7.102 ppm2 4.838 ! ############### C13_CNnoesy_manual.602 folded + assi (attr store1 < 2.568 and attr store1 > 2.468 ) ((attr store1 < 2.551 and attr store1 > 2.491 ) and (bondedto (attr store1 < 120.248722631 and attr store1 > 119.448722631 ) or bondedto (attr store1 < 72.506 and attr store1 > 71.706 ) or bondedto (attr store1 < 24.7632773688 and attr store1 > 23.9632773688 ))) 6 0.1 0.1 peak 602 volume 18.66788 ppm1 2.521 ppm2 2.518 ! ############### C13_CNnoesy_manual.603 folded + assi (attr store1 < 2.258 and attr store1 > 2.158 ) ((attr store1 < 2.09 and attr store1 > 2.03 ) and (bondedto (attr store1 < 120.234722631 and attr store1 > 119.434722631 ) or bondedto (attr store1 < 72.492 and attr store1 > 71.692 ) or bondedto (attr store1 < 24.7492773688 and attr store1 > 23.9492773688 ))) 6 0.1 0.1 peak 603 volume 11.75160 ppm1 2.060 ppm2 2.208 ! ############### C13_CNnoesy_manual.604 folded + assi (attr store1 < 9.265 and attr store1 > 9.165 ) ((attr store1 < 1.088 and attr store1 > 1.028 ) and (bondedto (attr store1 < 120.174722631 and attr store1 > 119.374722631 ) or bondedto (attr store1 < 72.432 and attr store1 > 71.632 ) or bondedto (attr store1 < 24.6892773688 and attr store1 > 23.8892773688 ))) 6 0.1 0.1 peak 604 volume 6.00975 ppm1 1.058 ppm2 9.215 ! ############### C13_CNnoesy_manual.605 folded + assi (attr store1 < 8.717 and attr store1 > 8.617 ) ((attr store1 < 1.086 and attr store1 > 1.026 ) and (bondedto (attr store1 < 120.246722631 and attr store1 > 119.446722631 ) or bondedto (attr store1 < 72.504 and attr store1 > 71.704 ) or bondedto (attr store1 < 24.7612773688 and attr store1 > 23.9612773688 ))) 6 0.1 0.1 peak 605 volume 21.10480 ppm1 1.056 ppm2 8.667 ! ############### C13_CNnoesy_manual.606 folded + assi (attr store1 < 8.521 and attr store1 > 8.421 ) ((attr store1 < 1.086 and attr store1 > 1.026 ) and (bondedto (attr store1 < 120.170722631 and attr store1 > 119.370722631 ) or bondedto (attr store1 < 72.428 and attr store1 > 71.628 ) or bondedto (attr store1 < 24.6852773688 and attr store1 > 23.8852773688 ))) 6 0.1 0.1 peak 606 volume 14.46022 ppm1 1.056 ppm2 8.471 ! ############### C13_CNnoesy_manual.607 folded + assi (attr store1 < 8.224 and attr store1 > 8.124 ) ((attr store1 < 1.087 and attr store1 > 1.027 ) and (bondedto (attr store1 < 120.214722631 and attr store1 > 119.414722631 ) or bondedto (attr store1 < 72.472 and attr store1 > 71.672 ) or bondedto (attr store1 < 24.7292773688 and attr store1 > 23.9292773688 ))) 6 0.1 0.1 peak 607 volume 7.07814 ppm1 1.057 ppm2 8.174 ! ############### C13_CNnoesy_manual.608 folded + assi (attr store1 < 7.077 and attr store1 > 6.977 ) ((attr store1 < 1.088 and attr store1 > 1.028 ) and (bondedto (attr store1 < 120.169722631 and attr store1 > 119.369722631 ) or bondedto (attr store1 < 72.427 and attr store1 > 71.627 ) or bondedto (attr store1 < 24.6842773688 and attr store1 > 23.8842773688 ))) 6 0.1 0.1 peak 608 volume 28.97576 ppm1 1.058 ppm2 7.027 ! ############### C13_CNnoesy_manual.609 folded + assi (attr store1 < 4.255 and attr store1 > 4.155 ) ((attr store1 < 1.087 and attr store1 > 1.027 ) and (bondedto (attr store1 < 120.178722631 and attr store1 > 119.378722631 ) or bondedto (attr store1 < 72.436 and attr store1 > 71.636 ) or bondedto (attr store1 < 24.6932773688 and attr store1 > 23.8932773688 ))) 6 0.1 0.1 peak 609 volume 94.55423 ppm1 1.057 ppm2 4.205 ! ############### C13_CNnoesy_manual.610 folded + assi (attr store1 < 4.096 and attr store1 > 3.996 ) ((attr store1 < 1.087 and attr store1 > 1.027 ) and (bondedto (attr store1 < 120.175722631 and attr store1 > 119.375722631 ) or bondedto (attr store1 < 72.433 and attr store1 > 71.633 ) or bondedto (attr store1 < 24.6902773688 and attr store1 > 23.8902773688 ))) 6 0.1 0.1 peak 610 volume 17.00347 ppm1 1.057 ppm2 4.046 ! ############### C13_CNnoesy_manual.611 folded + assi (attr store1 < 1.915 and attr store1 > 1.815 ) ((attr store1 < 1.086 and attr store1 > 1.026 ) and (bondedto (attr store1 < 120.177722631 and attr store1 > 119.377722631 ) or bondedto (attr store1 < 72.435 and attr store1 > 71.635 ) or bondedto (attr store1 < 24.6922773688 and attr store1 > 23.8922773688 ))) 6 0.1 0.1 peak 611 volume 155.11850 ppm1 1.056 ppm2 1.865 ! ############### C13_CNnoesy_manual.612 folded + assi (attr store1 < 1.104 and attr store1 > 1.004 ) ((attr store1 < 1.086 and attr store1 > 1.026 ) and (bondedto (attr store1 < 120.233722631 and attr store1 > 119.433722631 ) or bondedto (attr store1 < 72.491 and attr store1 > 71.691 ) or bondedto (attr store1 < 24.7482773688 and attr store1 > 23.9482773688 ))) 6 0.1 0.1 peak 612 volume 8754.12891 ppm1 1.056 ppm2 1.054 ! ############### C13_CNnoesy_manual.613 folded + assi (attr store1 < 0.744 and attr store1 > 0.644 ) ((attr store1 < 1.084 and attr store1 > 1.024 ) and (bondedto (attr store1 < 120.170722631 and attr store1 > 119.370722631 ) or bondedto (attr store1 < 72.428 and attr store1 > 71.628 ) or bondedto (attr store1 < 24.6852773688 and attr store1 > 23.8852773688 ))) 6 0.1 0.1 peak 613 volume 39.63984 ppm1 1.054 ppm2 0.694 ! ############### C13_CNnoesy_manual.614 folded + assi (attr store1 < 4.874 and attr store1 > 4.774 ) ((attr store1 < 1.083 and attr store1 > 1.023 ) and (bondedto (attr store1 < 120.234722631 and attr store1 > 119.434722631 ) or bondedto (attr store1 < 72.492 and attr store1 > 71.692 ) or bondedto (attr store1 < 24.7492773688 and attr store1 > 23.9492773688 ))) 6 0.1 0.1 peak 614 volume 58.61692 ppm1 1.053 ppm2 4.824 ! ############### C13_CNnoesy_manual.615 folded + assi (attr store1 < 1.271 and attr store1 > 1.171 ) ((attr store1 < 1.083 and attr store1 > 1.023 ) and (bondedto (attr store1 < 120.244722631 and attr store1 > 119.444722631 ) or bondedto (attr store1 < 72.502 and attr store1 > 71.702 ) or bondedto (attr store1 < 24.7592773688 and attr store1 > 23.9592773688 ))) 6 0.1 0.1 peak 615 volume 135.64977 ppm1 1.053 ppm2 1.221 ! ############### C13_CNnoesy_manual.616 folded + assi (attr store1 < 0.838 and attr store1 > 0.738 ) ((attr store1 < 1.082 and attr store1 > 1.022 ) and (bondedto (attr store1 < 120.189722631 and attr store1 > 119.389722631 ) or bondedto (attr store1 < 72.447 and attr store1 > 71.647 ) or bondedto (attr store1 < 24.7042773688 and attr store1 > 23.9042773688 ))) 6 0.1 0.1 peak 616 volume 61.69028 ppm1 1.052 ppm2 0.788 ! ############### C13_CNnoesy_manual.617 folded + assi (attr store1 < 8.711 and attr store1 > 8.611 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.200722631 and attr store1 > 119.400722631 ) or bondedto (attr store1 < 72.458 and attr store1 > 71.658 ) or bondedto (attr store1 < 24.7152773688 and attr store1 > 23.9152773688 ))) 6 0.1 0.1 peak 617 volume 8.07873 ppm1 0.773 ppm2 8.661 ! ############### C13_CNnoesy_manual.618 folded + assi (attr store1 < 8.468 and attr store1 > 8.368 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.212722631 and attr store1 > 119.412722631 ) or bondedto (attr store1 < 72.47 and attr store1 > 71.67 ) or bondedto (attr store1 < 24.7272773688 and attr store1 > 23.9272773688 ))) 6 0.1 0.1 peak 618 volume 16.89778 ppm1 0.773 ppm2 8.418 ! ############### C13_CNnoesy_manual.619 folded + assi (attr store1 < 7.829 and attr store1 > 7.729 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.205722631 and attr store1 > 119.405722631 ) or bondedto (attr store1 < 72.463 and attr store1 > 71.663 ) or bondedto (attr store1 < 24.7202773688 and attr store1 > 23.9202773688 ))) 6 0.1 0.1 peak 619 volume 10.22534 ppm1 0.773 ppm2 7.779 ! ############### C13_CNnoesy_manual.620 folded + assi (attr store1 < 7.734 and attr store1 > 7.634 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.210722631 and attr store1 > 119.410722631 ) or bondedto (attr store1 < 72.468 and attr store1 > 71.668 ) or bondedto (attr store1 < 24.7252773688 and attr store1 > 23.9252773688 ))) 6 0.1 0.1 peak 620 volume 8.39141 ppm1 0.773 ppm2 7.684 ! ############### C13_CNnoesy_manual.621 folded + assi (attr store1 < 7.486 and attr store1 > 7.386 ) ((attr store1 < 0.804 and attr store1 > 0.744 ) and (bondedto (attr store1 < 120.206722631 and attr store1 > 119.406722631 ) or bondedto (attr store1 < 72.464 and attr store1 > 71.664 ) or bondedto (attr store1 < 24.7212773688 and attr store1 > 23.9212773688 ))) 6 0.1 0.1 peak 621 volume 10.52841 ppm1 0.774 ppm2 7.436 ! ############### C13_CNnoesy_manual.622 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 0.799 and attr store1 > 0.739 ) and (bondedto (attr store1 < 120.215722631 and attr store1 > 119.415722631 ) or bondedto (attr store1 < 72.473 and attr store1 > 71.673 ) or bondedto (attr store1 < 24.7302773688 and attr store1 > 23.9302773688 ))) 6 0.1 0.1 peak 622 volume 10.30311 ppm1 0.769 ppm2 4.839 ! ############### C13_CNnoesy_manual.623 folded + assi (attr store1 < 4.131 and attr store1 > 4.031 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.204722631 and attr store1 > 119.404722631 ) or bondedto (attr store1 < 72.462 and attr store1 > 71.662 ) or bondedto (attr store1 < 24.7192773688 and attr store1 > 23.9192773688 ))) 6 0.1 0.1 peak 623 volume 108.62269 ppm1 0.773 ppm2 4.081 ! ############### C13_CNnoesy_manual.624 folded + assi (attr store1 < 3.866 and attr store1 > 3.766 ) ((attr store1 < 0.804 and attr store1 > 0.744 ) and (bondedto (attr store1 < 120.214722631 and attr store1 > 119.414722631 ) or bondedto (attr store1 < 72.472 and attr store1 > 71.672 ) or bondedto (attr store1 < 24.7292773688 and attr store1 > 23.9292773688 ))) 6 0.1 0.1 peak 624 volume 9.49607 ppm1 0.774 ppm2 3.816 ! ############### C13_CNnoesy_manual.625 folded + assi (attr store1 < 3.045 and attr store1 > 2.945 ) ((attr store1 < 0.804 and attr store1 > 0.744 ) and (bondedto (attr store1 < 120.206722631 and attr store1 > 119.406722631 ) or bondedto (attr store1 < 72.464 and attr store1 > 71.664 ) or bondedto (attr store1 < 24.7212773688 and attr store1 > 23.9212773688 ))) 6 0.1 0.1 peak 625 volume 27.01228 ppm1 0.774 ppm2 2.995 ! ############### C13_CNnoesy_manual.626 folded + assi (attr store1 < 2.474 and attr store1 > 2.374 ) ((attr store1 < 0.804 and attr store1 > 0.744 ) and (bondedto (attr store1 < 120.203722631 and attr store1 > 119.403722631 ) or bondedto (attr store1 < 72.461 and attr store1 > 71.661 ) or bondedto (attr store1 < 24.7182773688 and attr store1 > 23.9182773688 ))) 6 0.1 0.1 peak 626 volume 13.28424 ppm1 0.774 ppm2 2.424 ! ############### C13_CNnoesy_manual.627 folded + assi (attr store1 < 2.046 and attr store1 > 1.946 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.211722631 and attr store1 > 119.411722631 ) or bondedto (attr store1 < 72.469 and attr store1 > 71.669 ) or bondedto (attr store1 < 24.7262773688 and attr store1 > 23.9262773688 ))) 6 0.1 0.1 peak 627 volume 42.73286 ppm1 0.773 ppm2 1.996 ! ############### C13_CNnoesy_manual.628 folded + assi (attr store1 < 1.851 and attr store1 > 1.751 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.202722631 and attr store1 > 119.402722631 ) or bondedto (attr store1 < 72.46 and attr store1 > 71.66 ) or bondedto (attr store1 < 24.7172773688 and attr store1 > 23.9172773688 ))) 6 0.1 0.1 peak 628 volume 94.07571 ppm1 0.773 ppm2 1.801 ! ############### C13_CNnoesy_manual.629 folded + assi (attr store1 < 1.603 and attr store1 > 1.503 ) ((attr store1 < 0.802 and attr store1 > 0.742 ) and (bondedto (attr store1 < 120.195722631 and attr store1 > 119.395722631 ) or bondedto (attr store1 < 72.453 and attr store1 > 71.653 ) or bondedto (attr store1 < 24.7102773688 and attr store1 > 23.9102773688 ))) 6 0.1 0.1 peak 629 volume 22.97649 ppm1 0.772 ppm2 1.553 ! ############### C13_CNnoesy_manual.630 folded + assi (attr store1 < 1.325 and attr store1 > 1.225 ) ((attr store1 < 0.802 and attr store1 > 0.742 ) and (bondedto (attr store1 < 120.207722631 and attr store1 > 119.407722631 ) or bondedto (attr store1 < 72.465 and attr store1 > 71.665 ) or bondedto (attr store1 < 24.7222773688 and attr store1 > 23.9222773688 ))) 6 0.1 0.1 peak 630 volume 63.48635 ppm1 0.772 ppm2 1.275 ! ############### C13_CNnoesy_manual.631 folded + assi (attr store1 < 0.823 and attr store1 > 0.723 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.204722631 and attr store1 > 119.404722631 ) or bondedto (attr store1 < 72.462 and attr store1 > 71.662 ) or bondedto (attr store1 < 24.7192773688 and attr store1 > 23.9192773688 ))) 6 0.1 0.1 peak 631 volume 3410.42749 ppm1 0.773 ppm2 0.773 ! ############### C13_CNnoesy_manual.632 folded + assi (attr store1 < 0.664 and attr store1 > 0.564 ) ((attr store1 < 0.802 and attr store1 > 0.742 ) and (bondedto (attr store1 < 120.209722631 and attr store1 > 119.409722631 ) or bondedto (attr store1 < 72.467 and attr store1 > 71.667 ) or bondedto (attr store1 < 24.7242773688 and attr store1 > 23.9242773688 ))) 6 0.1 0.1 peak 632 volume 64.64740 ppm1 0.772 ppm2 0.614 ! ############### C13_CNnoesy_manual.633 folded + assi (attr store1 < 0.141 and attr store1 > 0.041 ) ((attr store1 < 0.803 and attr store1 > 0.743 ) and (bondedto (attr store1 < 120.201722631 and attr store1 > 119.401722631 ) or bondedto (attr store1 < 72.459 and attr store1 > 71.659 ) or bondedto (attr store1 < 24.7162773688 and attr store1 > 23.9162773688 ))) 6 0.1 0.1 peak 633 volume 63.84485 ppm1 0.773 ppm2 0.091 ! ############### C13_CNnoesy_manual.634 folded - assi (attr store1 < 2.097 and attr store1 > 1.997 ) ((attr store1 < 2.462 and attr store1 > 2.402 ) and (bondedto (attr store1 < 144.070083947 and attr store1 > 143.270083947 ) or bondedto (attr store1 < 48.5846386844 and attr store1 > 47.7846386844 ))) 6 0.1 0.1 peak 634 volume 12.52579 ppm1 2.432 ppm2 2.047 ! ############### C13_CNnoesy_manual.635 folded - assi (attr store1 < 2.017 and attr store1 > 1.917 ) ((attr store1 < 2.006 and attr store1 > 1.946 ) and (bondedto (attr store1 < 144.109083947 and attr store1 > 143.309083947 ) or bondedto (attr store1 < 48.6236386844 and attr store1 > 47.8236386844 ))) 6 0.1 0.1 peak 635 volume 27.51483 ppm1 1.976 ppm2 1.967 ! ############### C13_CNnoesy_manual.636 folded + assi (attr store1 < 7.153 and attr store1 > 7.053 ) ((attr store1 < 7.133 and attr store1 > 7.073 ) and (bondedto (attr store1 < 120.124722631 and attr store1 > 119.324722631 ) or bondedto (attr store1 < 72.382 and attr store1 > 71.582 ) or bondedto (attr store1 < 24.6392773688 and attr store1 > 23.8392773688 ))) 6 0.1 0.1 peak 636 volume 1333.54089 ppm1 7.103 ppm2 7.103 ! ############### C13_CNnoesy_manual.637 folded + assi (attr store1 < 3.278 and attr store1 > 3.178 ) ((attr store1 < 7.133 and attr store1 > 7.073 ) and (bondedto (attr store1 < 120.152722631 and attr store1 > 119.352722631 ) or bondedto (attr store1 < 72.41 and attr store1 > 71.61 ) or bondedto (attr store1 < 24.6672773688 and attr store1 > 23.8672773688 ))) 6 0.1 0.1 peak 637 volume 13.42384 ppm1 7.103 ppm2 3.228 ! ############### C13_CNnoesy_manual.638 folded + assi (attr store1 < 9.263 and attr store1 > 9.163 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.093722631 and attr store1 > 119.293722631 ) or bondedto (attr store1 < 72.351 and attr store1 > 71.551 ) or bondedto (attr store1 < 24.6082773688 and attr store1 > 23.8082773688 ))) 6 0.1 0.1 peak 638 volume 65.34607 ppm1 1.401 ppm2 9.213 ! ############### C13_CNnoesy_manual.639 folded + assi (attr store1 < 8.718 and attr store1 > 8.618 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.086722631 and attr store1 > 119.286722631 ) or bondedto (attr store1 < 72.344 and attr store1 > 71.544 ) or bondedto (attr store1 < 24.6012773688 and attr store1 > 23.8012773688 ))) 6 0.1 0.1 peak 639 volume 30.61222 ppm1 1.401 ppm2 8.668 ! ############### C13_CNnoesy_manual.640 folded + assi (attr store1 < 8.465 and attr store1 > 8.365 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.071722631 and attr store1 > 119.271722631 ) or bondedto (attr store1 < 72.329 and attr store1 > 71.529 ) or bondedto (attr store1 < 24.5862773688 and attr store1 > 23.7862773688 ))) 6 0.1 0.1 peak 640 volume 10.10373 ppm1 1.400 ppm2 8.415 ! ############### C13_CNnoesy_manual.641 folded + assi (attr store1 < 8.221 and attr store1 > 8.121 ) ((attr store1 < 1.429 and attr store1 > 1.369 ) and (bondedto (attr store1 < 120.085722631 and attr store1 > 119.285722631 ) or bondedto (attr store1 < 72.343 and attr store1 > 71.543 ) or bondedto (attr store1 < 24.6002773688 and attr store1 > 23.8002773688 ))) 6 0.1 0.1 peak 641 volume 6.82398 ppm1 1.399 ppm2 8.171 ! ############### C13_CNnoesy_manual.642 folded + assi (attr store1 < 8.02 and attr store1 > 7.92 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.079722631 and attr store1 > 119.279722631 ) or bondedto (attr store1 < 72.337 and attr store1 > 71.537 ) or bondedto (attr store1 < 24.5942773688 and attr store1 > 23.7942773688 ))) 6 0.1 0.1 peak 642 volume 13.43313 ppm1 1.401 ppm2 7.970 ! ############### C13_CNnoesy_manual.643 folded + assi (attr store1 < 7.367 and attr store1 > 7.267 ) ((attr store1 < 1.432 and attr store1 > 1.372 ) and (bondedto (attr store1 < 120.087722631 and attr store1 > 119.287722631 ) or bondedto (attr store1 < 72.345 and attr store1 > 71.545 ) or bondedto (attr store1 < 24.6022773688 and attr store1 > 23.8022773688 ))) 6 0.1 0.1 peak 643 volume 10.90331 ppm1 1.402 ppm2 7.317 ! ############### C13_CNnoesy_manual.644 folded + assi (attr store1 < 6.562 and attr store1 > 6.462 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.084722631 and attr store1 > 119.284722631 ) or bondedto (attr store1 < 72.342 and attr store1 > 71.542 ) or bondedto (attr store1 < 24.5992773688 and attr store1 > 23.7992773688 ))) 6 0.1 0.1 peak 644 volume 27.82605 ppm1 1.401 ppm2 6.512 ! ############### C13_CNnoesy_manual.645 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 1.429 and attr store1 > 1.369 ) and (bondedto (attr store1 < 120.074722631 and attr store1 > 119.274722631 ) or bondedto (attr store1 < 72.332 and attr store1 > 71.532 ) or bondedto (attr store1 < 24.5892773688 and attr store1 > 23.7892773688 ))) 6 0.1 0.1 peak 645 volume 28.39637 ppm1 1.399 ppm2 4.839 ! ############### C13_CNnoesy_manual.646 folded + assi (attr store1 < 4.475 and attr store1 > 4.375 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.080722631 and attr store1 > 119.280722631 ) or bondedto (attr store1 < 72.338 and attr store1 > 71.538 ) or bondedto (attr store1 < 24.5952773688 and attr store1 > 23.7952773688 ))) 6 0.1 0.1 peak 646 volume 80.65634 ppm1 1.401 ppm2 4.425 ! ############### C13_CNnoesy_manual.647 folded + assi (attr store1 < 4.249 and attr store1 > 4.149 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.083722631 and attr store1 > 119.283722631 ) or bondedto (attr store1 < 72.341 and attr store1 > 71.541 ) or bondedto (attr store1 < 24.5982773688 and attr store1 > 23.7982773688 ))) 6 0.1 0.1 peak 647 volume 20.03272 ppm1 1.401 ppm2 4.199 ! ############### C13_CNnoesy_manual.648 folded + assi (attr store1 < 3.852 and attr store1 > 3.752 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.093722631 and attr store1 > 119.293722631 ) or bondedto (attr store1 < 72.351 and attr store1 > 71.551 ) or bondedto (attr store1 < 24.6082773688 and attr store1 > 23.8082773688 ))) 6 0.1 0.1 peak 648 volume 71.85748 ppm1 1.401 ppm2 3.802 ! ############### C13_CNnoesy_manual.649 folded + assi (attr store1 < 3.524 and attr store1 > 3.424 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.084722631 and attr store1 > 119.284722631 ) or bondedto (attr store1 < 72.342 and attr store1 > 71.542 ) or bondedto (attr store1 < 24.5992773688 and attr store1 > 23.7992773688 ))) 6 0.1 0.1 peak 649 volume 48.24097 ppm1 1.401 ppm2 3.474 ! ############### C13_CNnoesy_manual.650 folded + assi (attr store1 < 3.036 and attr store1 > 2.936 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.086722631 and attr store1 > 119.286722631 ) or bondedto (attr store1 < 72.344 and attr store1 > 71.544 ) or bondedto (attr store1 < 24.6012773688 and attr store1 > 23.8012773688 ))) 6 0.1 0.1 peak 650 volume 29.41710 ppm1 1.400 ppm2 2.986 ! ############### C13_CNnoesy_manual.651 folded + assi (attr store1 < 2.471 and attr store1 > 2.371 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.076722631 and attr store1 > 119.276722631 ) or bondedto (attr store1 < 72.334 and attr store1 > 71.534 ) or bondedto (attr store1 < 24.5912773688 and attr store1 > 23.7912773688 ))) 6 0.1 0.1 peak 651 volume 22.84046 ppm1 1.400 ppm2 2.421 ! ############### C13_CNnoesy_manual.652 folded + assi (attr store1 < 2.057 and attr store1 > 1.957 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.092722631 and attr store1 > 119.292722631 ) or bondedto (attr store1 < 72.35 and attr store1 > 71.55 ) or bondedto (attr store1 < 24.6072773688 and attr store1 > 23.8072773688 ))) 6 0.1 0.1 peak 652 volume 92.06064 ppm1 1.400 ppm2 2.007 ! ############### C13_CNnoesy_manual.653 folded + assi (attr store1 < 1.858 and attr store1 > 1.758 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.080722631 and attr store1 > 119.280722631 ) or bondedto (attr store1 < 72.338 and attr store1 > 71.538 ) or bondedto (attr store1 < 24.5952773688 and attr store1 > 23.7952773688 ))) 6 0.1 0.1 peak 653 volume 65.20393 ppm1 1.400 ppm2 1.808 ! ############### C13_CNnoesy_manual.654 folded + assi (attr store1 < 1.451 and attr store1 > 1.351 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 120.075722631 and attr store1 > 119.275722631 ) or bondedto (attr store1 < 72.333 and attr store1 > 71.533 ) or bondedto (attr store1 < 24.5902773688 and attr store1 > 23.7902773688 ))) 6 0.1 0.1 peak 654 volume 2162.81836 ppm1 1.401 ppm2 1.401 ! ############### C13_CNnoesy_manual.655 folded + assi (attr store1 < 1.305 and attr store1 > 1.205 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.080722631 and attr store1 > 119.280722631 ) or bondedto (attr store1 < 72.338 and attr store1 > 71.538 ) or bondedto (attr store1 < 24.5952773688 and attr store1 > 23.7952773688 ))) 6 0.1 0.1 peak 655 volume 85.27280 ppm1 1.400 ppm2 1.255 ! ############### C13_CNnoesy_manual.656 folded + assi (attr store1 < 1.085 and attr store1 > 0.985 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.072722631 and attr store1 > 119.272722631 ) or bondedto (attr store1 < 72.33 and attr store1 > 71.53 ) or bondedto (attr store1 < 24.5872773688 and attr store1 > 23.7872773688 ))) 6 0.1 0.1 peak 656 volume 67.43335 ppm1 1.400 ppm2 1.035 ! ############### C13_CNnoesy_manual.657 folded + assi (attr store1 < 0.849 and attr store1 > 0.749 ) ((attr store1 < 1.43 and attr store1 > 1.37 ) and (bondedto (attr store1 < 120.084722631 and attr store1 > 119.284722631 ) or bondedto (attr store1 < 72.342 and attr store1 > 71.542 ) or bondedto (attr store1 < 24.5992773688 and attr store1 > 23.7992773688 ))) 6 0.1 0.1 peak 657 volume 123.60558 ppm1 1.400 ppm2 0.799 ! ############### C13_CNnoesy_manual.658 folded + assi (attr store1 < 7.259 and attr store1 > 7.159 ) ((attr store1 < 7.239 and attr store1 > 7.179 ) and (bondedto (attr store1 < 120.023722631 and attr store1 > 119.223722631 ) or bondedto (attr store1 < 72.281 and attr store1 > 71.481 ) or bondedto (attr store1 < 24.5382773688 and attr store1 > 23.7382773688 ))) 6 0.1 0.1 peak 658 volume 344.31927 ppm1 7.209 ppm2 7.209 ! ############### C13_CNnoesy_manual.659 folded + assi (attr store1 < 4.582 and attr store1 > 4.482 ) ((attr store1 < 7.238 and attr store1 > 7.178 ) and (bondedto (attr store1 < 120.031722631 and attr store1 > 119.231722631 ) or bondedto (attr store1 < 72.289 and attr store1 > 71.489 ) or bondedto (attr store1 < 24.5462773688 and attr store1 > 23.7462773688 ))) 6 0.1 0.1 peak 659 volume 16.32764 ppm1 7.208 ppm2 4.532 ! ############### C13_CNnoesy_manual.660 folded + assi (attr store1 < 2.71 and attr store1 > 2.61 ) ((attr store1 < 7.238 and attr store1 > 7.178 ) and (bondedto (attr store1 < 120.051722631 and attr store1 > 119.251722631 ) or bondedto (attr store1 < 72.309 and attr store1 > 71.509 ) or bondedto (attr store1 < 24.5662773688 and attr store1 > 23.7662773688 ))) 6 0.1 0.1 peak 660 volume 14.39802 ppm1 7.208 ppm2 2.660 ! ############### C13_CNnoesy_manual.661 folded + assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 7.239 and attr store1 > 7.179 ) and (bondedto (attr store1 < 119.959722631 and attr store1 > 119.159722631 ) or bondedto (attr store1 < 72.217 and attr store1 > 71.417 ) or bondedto (attr store1 < 24.4742773688 and attr store1 > 23.6742773688 ))) 6 0.1 0.1 peak 661 volume 41.77888 ppm1 7.209 ppm2 4.840 ! ############### C13_CNnoesy_manual.662 folded + assi (attr store1 < 3.082 and attr store1 > 2.982 ) ((attr store1 < 7.237 and attr store1 > 7.177 ) and (bondedto (attr store1 < 119.913722631 and attr store1 > 119.113722631 ) or bondedto (attr store1 < 72.171 and attr store1 > 71.371 ) or bondedto (attr store1 < 24.4282773688 and attr store1 > 23.6282773688 ))) 6 0.1 0.1 peak 662 volume 10.42847 ppm1 7.207 ppm2 3.032 ! ############### C13_CNnoesy_manual.663 folded + assi (attr store1 < 3.101 and attr store1 > 3.001 ) ((attr store1 < 1.841 and attr store1 > 1.781 ) and (bondedto (attr store1 < 119.800722631 and attr store1 > 119.000722631 ) or bondedto (attr store1 < 72.058 and attr store1 > 71.258 ) or bondedto (attr store1 < 24.3152773688 and attr store1 > 23.5152773688 ))) 6 0.1 0.1 peak 663 volume 7.36616 ppm1 1.811 ppm2 3.051 ! ############### C13_CNnoesy_manual.664 folded - assi (attr store1 < 2.565 and attr store1 > 2.465 ) ((attr store1 < 2.546 and attr store1 > 2.486 ) and (bondedto (attr store1 < 143.690083947 and attr store1 > 142.890083947 ) or bondedto (attr store1 < 48.2046386844 and attr store1 > 47.4046386844 ))) 6 0.1 0.1 peak 664 volume 34.28764 ppm1 2.516 ppm2 2.515 ! ############### C13_CNnoesy_manual.665 folded - assi (attr store1 < 2.331 and attr store1 > 2.231 ) ((attr store1 < 2.307 and attr store1 > 2.247 ) and (bondedto (attr store1 < 143.703083947 and attr store1 > 142.903083947 ) or bondedto (attr store1 < 48.2176386844 and attr store1 > 47.4176386844 ))) 6 0.1 0.1 peak 665 volume 19.08246 ppm1 2.277 ppm2 2.281 ! ############### C13_CNnoesy_manual.666 folded + assi (attr store1 < 1.878 and attr store1 > 1.778 ) ((attr store1 < 2.204 and attr store1 > 2.144 ) and (bondedto (attr store1 < 119.751722631 and attr store1 > 118.951722631 ) or bondedto (attr store1 < 72.009 and attr store1 > 71.209 ) or bondedto (attr store1 < 24.2662773688 and attr store1 > 23.4662773688 ))) 6 0.1 0.1 peak 666 volume 7.07149 ppm1 2.174 ppm2 1.828 ! ############### C13_CNnoesy_manual.667 folded + assi (attr store1 < 1.633 and attr store1 > 1.533 ) ((attr store1 < 2.201 and attr store1 > 2.141 ) and (bondedto (attr store1 < 119.736722631 and attr store1 > 118.936722631 ) or bondedto (attr store1 < 71.994 and attr store1 > 71.194 ) or bondedto (attr store1 < 24.2512773688 and attr store1 > 23.4512773688 ))) 6 0.1 0.1 peak 667 volume 8.51211 ppm1 2.171 ppm2 1.583 ! ############### C13_CNnoesy_manual.668 folded + assi (attr store1 < 4.378 and attr store1 > 4.278 ) ((attr store1 < 1.835 and attr store1 > 1.775 ) and (bondedto (attr store1 < 119.778722631 and attr store1 > 118.978722631 ) or bondedto (attr store1 < 72.036 and attr store1 > 71.236 ) or bondedto (attr store1 < 24.2932773688 and attr store1 > 23.4932773688 ))) 6 0.1 0.1 peak 668 volume 9.27353 ppm1 1.805 ppm2 4.328 ! ############### C13_CNnoesy_manual.669 folded + assi (attr store1 < 2.225 and attr store1 > 2.125 ) ((attr store1 < 1.834 and attr store1 > 1.774 ) and (bondedto (attr store1 < 119.735722631 and attr store1 > 118.935722631 ) or bondedto (attr store1 < 71.993 and attr store1 > 71.193 ) or bondedto (attr store1 < 24.2502773688 and attr store1 > 23.4502773688 ))) 6 0.1 0.1 peak 669 volume 46.13137 ppm1 1.804 ppm2 2.175 ! ############### C13_CNnoesy_manual.670 folded + assi (attr store1 < 1.622 and attr store1 > 1.522 ) ((attr store1 < 1.826 and attr store1 > 1.766 ) and (bondedto (attr store1 < 119.743722631 and attr store1 > 118.943722631 ) or bondedto (attr store1 < 72.001 and attr store1 > 71.201 ) or bondedto (attr store1 < 24.2582773688 and attr store1 > 23.4582773688 ))) 6 0.1 0.1 peak 670 volume 115.90742 ppm1 1.796 ppm2 1.572 ! ############### C13_CNnoesy_manual.671 folded + assi (attr store1 < 4.381 and attr store1 > 4.281 ) ((attr store1 < 1.614 and attr store1 > 1.554 ) and (bondedto (attr store1 < 119.753722631 and attr store1 > 118.953722631 ) or bondedto (attr store1 < 72.011 and attr store1 > 71.211 ) or bondedto (attr store1 < 24.2682773688 and attr store1 > 23.4682773688 ))) 6 0.1 0.1 peak 671 volume 9.28786 ppm1 1.584 ppm2 4.331 ! ############### C13_CNnoesy_manual.672 folded + assi (attr store1 < 3.094 and attr store1 > 2.994 ) ((attr store1 < 1.608 and attr store1 > 1.548 ) and (bondedto (attr store1 < 119.760722631 and attr store1 > 118.960722631 ) or bondedto (attr store1 < 72.018 and attr store1 > 71.218 ) or bondedto (attr store1 < 24.2752773688 and attr store1 > 23.4752773688 ))) 6 0.1 0.1 peak 672 volume 9.05605 ppm1 1.578 ppm2 3.044 ! ############### C13_CNnoesy_manual.673 folded + assi (attr store1 < 2.224 and attr store1 > 2.124 ) ((attr store1 < 1.608 and attr store1 > 1.548 ) and (bondedto (attr store1 < 119.727722631 and attr store1 > 118.927722631 ) or bondedto (attr store1 < 71.985 and attr store1 > 71.185 ) or bondedto (attr store1 < 24.2422773688 and attr store1 > 23.4422773688 ))) 6 0.1 0.1 peak 673 volume 47.34542 ppm1 1.578 ppm2 2.174 ! ############### C13_CNnoesy_manual.674 folded + assi (attr store1 < 1.869 and attr store1 > 1.769 ) ((attr store1 < 1.607 and attr store1 > 1.547 ) and (bondedto (attr store1 < 119.721722631 and attr store1 > 118.921722631 ) or bondedto (attr store1 < 71.979 and attr store1 > 71.179 ) or bondedto (attr store1 < 24.2362773688 and attr store1 > 23.4362773688 ))) 6 0.1 0.1 peak 674 volume 148.39154 ppm1 1.577 ppm2 1.819 ! ############### C13_CNnoesy_manual.675 folded + assi (attr store1 < 4.48 and attr store1 > 4.38 ) ((attr store1 < 0.981 and attr store1 > 0.921 ) and (bondedto (attr store1 < 119.739722631 and attr store1 > 118.939722631 ) or bondedto (attr store1 < 71.997 and attr store1 > 71.197 ) or bondedto (attr store1 < 24.2542773688 and attr store1 > 23.4542773688 ))) 6 0.1 0.1 peak 675 volume 72.79810 ppm1 0.951 ppm2 4.430 ! ############### C13_CNnoesy_manual.676 folded + assi (attr store1 < 3.232 and attr store1 > 3.132 ) ((attr store1 < 0.983 and attr store1 > 0.923 ) and (bondedto (attr store1 < 119.734722631 and attr store1 > 118.934722631 ) or bondedto (attr store1 < 71.992 and attr store1 > 71.192 ) or bondedto (attr store1 < 24.2492773688 and attr store1 > 23.4492773688 ))) 6 0.1 0.1 peak 676 volume 7.94593 ppm1 0.953 ppm2 3.182 ! ############### C13_CNnoesy_manual.677 folded + assi (attr store1 < 2.391 and attr store1 > 2.291 ) ((attr store1 < 0.984 and attr store1 > 0.924 ) and (bondedto (attr store1 < 119.721722631 and attr store1 > 118.921722631 ) or bondedto (attr store1 < 71.979 and attr store1 > 71.179 ) or bondedto (attr store1 < 24.2362773688 and attr store1 > 23.4362773688 ))) 6 0.1 0.1 peak 677 volume 9.15820 ppm1 0.954 ppm2 2.341 ! ############### C13_CNnoesy_manual.678 folded + assi (attr store1 < 2.236 and attr store1 > 2.136 ) ((attr store1 < 0.98 and attr store1 > 0.92 ) and (bondedto (attr store1 < 119.747722631 and attr store1 > 118.947722631 ) or bondedto (attr store1 < 72.005 and attr store1 > 71.205 ) or bondedto (attr store1 < 24.2622773688 and attr store1 > 23.4622773688 ))) 6 0.1 0.1 peak 678 volume 12.12927 ppm1 0.950 ppm2 2.186 ! ############### C13_CNnoesy_manual.679 folded + assi (attr store1 < 1.002 and attr store1 > 0.902 ) ((attr store1 < 0.98 and attr store1 > 0.92 ) and (bondedto (attr store1 < 119.711722631 and attr store1 > 118.911722631 ) or bondedto (attr store1 < 71.969 and attr store1 > 71.169 ) or bondedto (attr store1 < 24.2262773688 and attr store1 > 23.4262773688 ))) 6 0.1 0.1 peak 679 volume 9684.95215 ppm1 0.950 ppm2 0.952 ! ############### C13_CNnoesy_manual.680 folded + assi (attr store1 < 1.959 and attr store1 > 1.859 ) ((attr store1 < 0.973 and attr store1 > 0.913 ) and (bondedto (attr store1 < 119.702722631 and attr store1 > 118.902722631 ) or bondedto (attr store1 < 71.96 and attr store1 > 71.16 ) or bondedto (attr store1 < 24.2172773688 and attr store1 > 23.4172773688 ))) 6 0.1 0.1 peak 680 volume 19.30049 ppm1 0.943 ppm2 1.909 ! ############### C13_CNnoesy_manual.681 folded + assi (attr store1 < 1.704 and attr store1 > 1.604 ) ((attr store1 < 0.975 and attr store1 > 0.915 ) and (bondedto (attr store1 < 119.722722631 and attr store1 > 118.922722631 ) or bondedto (attr store1 < 71.98 and attr store1 > 71.18 ) or bondedto (attr store1 < 24.2372773688 and attr store1 > 23.4372773688 ))) 6 0.1 0.1 peak 681 volume 80.31528 ppm1 0.945 ppm2 1.654 ! ############### C13_CNnoesy_manual.682 folded - assi (attr store1 < 1.721 and attr store1 > 1.621 ) ((attr store1 < 1.707 and attr store1 > 1.647 ) and (bondedto (attr store1 < 143.639083947 and attr store1 > 142.839083947 ) or bondedto (attr store1 < 48.1536386844 and attr store1 > 47.3536386844 ))) 6 0.1 0.1 peak 682 volume 99.87425 ppm1 1.677 ppm2 1.671 ! ############### C13_CNnoesy_manual.683 folded - assi (attr store1 < 1.156 and attr store1 > 1.056 ) ((attr store1 < 1.139 and attr store1 > 1.079 ) and (bondedto (attr store1 < 143.618083947 and attr store1 > 142.818083947 ) or bondedto (attr store1 < 48.1326386844 and attr store1 > 47.3326386844 ))) 6 0.1 0.1 peak 683 volume 105.08723 ppm1 1.109 ppm2 1.106 ! ############### C13_CNnoesy_manual.684 folded + assi (attr store1 < 2.09 and attr store1 > 1.99 ) ((attr store1 < 2.476 and attr store1 > 2.416 ) and (bondedto (attr store1 < 119.628722631 and attr store1 > 118.828722631 ) or bondedto (attr store1 < 71.886 and attr store1 > 71.086 ) or bondedto (attr store1 < 24.1432773688 and attr store1 > 23.3432773688 ))) 6 0.1 0.1 peak 684 volume 8.35500 ppm1 2.446 ppm2 2.040 ! ############### C13_CNnoesy_manual.685 folded + assi (attr store1 < 2.491 and attr store1 > 2.391 ) ((attr store1 < 2.071 and attr store1 > 2.011 ) and (bondedto (attr store1 < 119.643722631 and attr store1 > 118.843722631 ) or bondedto (attr store1 < 71.901 and attr store1 > 71.101 ) or bondedto (attr store1 < 24.1582773688 and attr store1 > 23.3582773688 ))) 6 0.1 0.1 peak 685 volume 8.27480 ppm1 2.041 ppm2 2.441 ! ############### C13_CNnoesy_manual.686 folded + assi (attr store1 < 1.875 and attr store1 > 1.775 ) ((attr store1 < 1.845 and attr store1 > 1.785 ) and (bondedto (attr store1 < 119.690722631 and attr store1 > 118.890722631 ) or bondedto (attr store1 < 71.948 and attr store1 > 71.148 ) or bondedto (attr store1 < 24.2052773688 and attr store1 > 23.4052773688 ))) 6 0.1 0.1 peak 686 volume 184.72424 ppm1 1.815 ppm2 1.825 ! ############### C13_CNnoesy_manual.687 folded + assi (attr store1 < 7.72 and attr store1 > 7.62 ) ((attr store1 < 1.833 and attr store1 > 1.773 ) and (bondedto (attr store1 < 119.686722631 and attr store1 > 118.886722631 ) or bondedto (attr store1 < 71.944 and attr store1 > 71.144 ) or bondedto (attr store1 < 24.2012773688 and attr store1 > 23.4012773688 ))) 6 0.1 0.1 peak 687 volume 7.75158 ppm1 1.803 ppm2 7.670 ! ############### C13_CNnoesy_manual.688 folded + assi (attr store1 < 7.723 and attr store1 > 7.623 ) ((attr store1 < 1.604 and attr store1 > 1.544 ) and (bondedto (attr store1 < 119.678722631 and attr store1 > 118.878722631 ) or bondedto (attr store1 < 71.936 and attr store1 > 71.136 ) or bondedto (attr store1 < 24.1932773688 and attr store1 > 23.3932773688 ))) 6 0.1 0.1 peak 688 volume 6.53991 ppm1 1.574 ppm2 7.673 ! ############### C13_CNnoesy_manual.689 folded + assi (attr store1 < 1.288 and attr store1 > 1.188 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 119.668722631 and attr store1 > 118.868722631 ) or bondedto (attr store1 < 71.926 and attr store1 > 71.126 ) or bondedto (attr store1 < 24.1832773688 and attr store1 > 23.3832773688 ))) 6 0.1 0.1 peak 689 volume 194.32202 ppm1 1.241 ppm2 1.238 ! ############### C13_CNnoesy_manual.690 folded + assi (attr store1 < 0.964 and attr store1 > 0.864 ) ((attr store1 < 0.942 and attr store1 > 0.882 ) and (bondedto (attr store1 < 119.627722631 and attr store1 > 118.827722631 ) or bondedto (attr store1 < 71.885 and attr store1 > 71.085 ) or bondedto (attr store1 < 24.1422773688 and attr store1 > 23.3422773688 ))) 6 0.1 0.1 peak 690 volume 10776.78223 ppm1 0.912 ppm2 0.914 ! ############### C13_CNnoesy_manual.691 folded - assi (attr store1 < 2.189 and attr store1 > 2.089 ) ((attr store1 < 2.167 and attr store1 > 2.107 ) and (bondedto (attr store1 < 143.498083947 and attr store1 > 142.698083947 ) or bondedto (attr store1 < 48.0126386844 and attr store1 > 47.2126386844 ))) 6 0.1 0.1 peak 691 volume 39.64755 ppm1 2.137 ppm2 2.139 ! ############### C13_CNnoesy_manual.692 folded + assi (attr store1 < 8.155 and attr store1 > 8.055 ) ((attr store1 < 6.887 and attr store1 > 6.827 ) and (bondedto (attr store1 < 119.563722631 and attr store1 > 118.763722631 ) or bondedto (attr store1 < 71.821 and attr store1 > 71.021 ) or bondedto (attr store1 < 24.0782773688 and attr store1 > 23.2782773688 ))) 6 0.1 0.1 peak 692 volume 14.27833 ppm1 6.857 ppm2 8.105 ! ############### C13_CNnoesy_manual.693 folded + assi (attr store1 < 6.908 and attr store1 > 6.808 ) ((attr store1 < 6.888 and attr store1 > 6.828 ) and (bondedto (attr store1 < 119.545722631 and attr store1 > 118.745722631 ) or bondedto (attr store1 < 71.803 and attr store1 > 71.003 ) or bondedto (attr store1 < 24.0602773688 and attr store1 > 23.2602773688 ))) 6 0.1 0.1 peak 693 volume 1345.76550 ppm1 6.858 ppm2 6.858 ! ############### C13_CNnoesy_manual.694 folded + assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 6.887 and attr store1 > 6.827 ) and (bondedto (attr store1 < 119.551722631 and attr store1 > 118.751722631 ) or bondedto (attr store1 < 71.809 and attr store1 > 71.009 ) or bondedto (attr store1 < 24.0662773688 and attr store1 > 23.2662773688 ))) 6 0.1 0.1 peak 694 volume 38.40551 ppm1 6.857 ppm2 4.840 ! ############### C13_CNnoesy_manual.695 folded + assi (attr store1 < 4.139 and attr store1 > 4.039 ) ((attr store1 < 6.888 and attr store1 > 6.828 ) and (bondedto (attr store1 < 119.519722631 and attr store1 > 118.719722631 ) or bondedto (attr store1 < 71.777 and attr store1 > 70.977 ) or bondedto (attr store1 < 24.0342773688 and attr store1 > 23.2342773688 ))) 6 0.1 0.1 peak 695 volume 27.33865 ppm1 6.858 ppm2 4.089 ! ############### C13_CNnoesy_manual.696 folded + assi (attr store1 < 3.096 and attr store1 > 2.996 ) ((attr store1 < 6.888 and attr store1 > 6.828 ) and (bondedto (attr store1 < 119.516722631 and attr store1 > 118.716722631 ) or bondedto (attr store1 < 71.774 and attr store1 > 70.974 ) or bondedto (attr store1 < 24.0312773688 and attr store1 > 23.2312773688 ))) 6 0.1 0.1 peak 696 volume 7.14972 ppm1 6.858 ppm2 3.046 ! ############### C13_CNnoesy_manual.697 folded + assi (attr store1 < 2.833 and attr store1 > 2.733 ) ((attr store1 < 6.888 and attr store1 > 6.828 ) and (bondedto (attr store1 < 119.530722631 and attr store1 > 118.730722631 ) or bondedto (attr store1 < 71.788 and attr store1 > 70.988 ) or bondedto (attr store1 < 24.0452773688 and attr store1 > 23.2452773688 ))) 6 0.1 0.1 peak 697 volume 25.78050 ppm1 6.858 ppm2 2.783 ! ############### C13_CNnoesy_manual.698 folded + assi (attr store1 < 2.502 and attr store1 > 2.402 ) ((attr store1 < 6.886 and attr store1 > 6.826 ) and (bondedto (attr store1 < 119.521722631 and attr store1 > 118.721722631 ) or bondedto (attr store1 < 71.779 and attr store1 > 70.979 ) or bondedto (attr store1 < 24.0362773688 and attr store1 > 23.2362773688 ))) 6 0.1 0.1 peak 698 volume 7.51102 ppm1 6.856 ppm2 2.452 ! ############### C13_CNnoesy_manual.699 folded + assi (attr store1 < 2.027 and attr store1 > 1.927 ) ((attr store1 < 6.886 and attr store1 > 6.826 ) and (bondedto (attr store1 < 119.554722631 and attr store1 > 118.754722631 ) or bondedto (attr store1 < 71.812 and attr store1 > 71.012 ) or bondedto (attr store1 < 24.0692773688 and attr store1 > 23.2692773688 ))) 6 0.1 0.1 peak 699 volume 6.97213 ppm1 6.856 ppm2 1.977 ! ############### C13_CNnoesy_manual.700 folded + assi (attr store1 < 1.416 and attr store1 > 1.316 ) ((attr store1 < 6.887 and attr store1 > 6.827 ) and (bondedto (attr store1 < 119.554722631 and attr store1 > 118.754722631 ) or bondedto (attr store1 < 71.812 and attr store1 > 71.012 ) or bondedto (attr store1 < 24.0692773688 and attr store1 > 23.2692773688 ))) 6 0.1 0.1 peak 700 volume 44.86909 ppm1 6.857 ppm2 1.366 ! ############### C13_CNnoesy_manual.701 folded + assi (attr store1 < 0.795 and attr store1 > 0.695 ) ((attr store1 < 0.931 and attr store1 > 0.871 ) and (bondedto (attr store1 < 119.574722631 and attr store1 > 118.774722631 ) or bondedto (attr store1 < 71.832 and attr store1 > 71.032 ) or bondedto (attr store1 < 24.0892773688 and attr store1 > 23.2892773688 ))) 6 0.1 0.1 peak 701 volume 205.23470 ppm1 0.901 ppm2 0.745 ! ############### C13_CNnoesy_manual.702 folded + assi (attr store1 < 9.629 and attr store1 > 9.529 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.538722631 and attr store1 > 118.738722631 ) or bondedto (attr store1 < 71.796 and attr store1 > 70.996 ) or bondedto (attr store1 < 24.0532773688 and attr store1 > 23.2532773688 ))) 6 0.1 0.1 peak 702 volume 47.61663 ppm1 0.894 ppm2 9.579 ! ############### C13_CNnoesy_manual.703 folded + assi (attr store1 < 9.296 and attr store1 > 9.196 ) ((attr store1 < 0.922 and attr store1 > 0.862 ) and (bondedto (attr store1 < 119.547722631 and attr store1 > 118.747722631 ) or bondedto (attr store1 < 71.805 and attr store1 > 71.005 ) or bondedto (attr store1 < 24.0622773688 and attr store1 > 23.2622773688 ))) 6 0.1 0.1 peak 703 volume 12.55586 ppm1 0.892 ppm2 9.246 ! ############### C13_CNnoesy_manual.704 folded + assi (attr store1 < 8.212 and attr store1 > 8.112 ) ((attr store1 < 0.922 and attr store1 > 0.862 ) and (bondedto (attr store1 < 119.513722631 and attr store1 > 118.713722631 ) or bondedto (attr store1 < 71.771 and attr store1 > 70.971 ) or bondedto (attr store1 < 24.0282773688 and attr store1 > 23.2282773688 ))) 6 0.1 0.1 peak 704 volume 8.29960 ppm1 0.892 ppm2 8.162 ! ############### C13_CNnoesy_manual.705 folded + assi (attr store1 < 7.728 and attr store1 > 7.628 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.534722631 and attr store1 > 118.734722631 ) or bondedto (attr store1 < 71.792 and attr store1 > 70.992 ) or bondedto (attr store1 < 24.0492773688 and attr store1 > 23.2492773688 ))) 6 0.1 0.1 peak 705 volume 40.76429 ppm1 0.894 ppm2 7.678 ! ############### C13_CNnoesy_manual.706 folded + assi (attr store1 < 7.468 and attr store1 > 7.368 ) ((attr store1 < 0.923 and attr store1 > 0.863 ) and (bondedto (attr store1 < 119.535722631 and attr store1 > 118.735722631 ) or bondedto (attr store1 < 71.793 and attr store1 > 70.993 ) or bondedto (attr store1 < 24.0502773688 and attr store1 > 23.2502773688 ))) 6 0.1 0.1 peak 706 volume 29.61684 ppm1 0.893 ppm2 7.418 ! ############### C13_CNnoesy_manual.707 folded + assi (attr store1 < 7.373 and attr store1 > 7.273 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.523722631 and attr store1 > 118.723722631 ) or bondedto (attr store1 < 71.781 and attr store1 > 70.981 ) or bondedto (attr store1 < 24.0382773688 and attr store1 > 23.2382773688 ))) 6 0.1 0.1 peak 707 volume 30.95081 ppm1 0.894 ppm2 7.323 ! ############### C13_CNnoesy_manual.708 folded + assi (attr store1 < 4.695 and attr store1 > 4.595 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.568722631 and attr store1 > 118.768722631 ) or bondedto (attr store1 < 71.826 and attr store1 > 71.026 ) or bondedto (attr store1 < 24.0832773688 and attr store1 > 23.2832773688 ))) 6 0.1 0.1 peak 708 volume 14.89401 ppm1 0.894 ppm2 4.645 ! ############### C13_CNnoesy_manual.709 folded + assi (attr store1 < 4.241 and attr store1 > 4.141 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.537722631 and attr store1 > 118.737722631 ) or bondedto (attr store1 < 71.795 and attr store1 > 70.995 ) or bondedto (attr store1 < 24.0522773688 and attr store1 > 23.2522773688 ))) 6 0.1 0.1 peak 709 volume 70.15011 ppm1 0.894 ppm2 4.191 ! ############### C13_CNnoesy_manual.710 folded + assi (attr store1 < 3.871 and attr store1 > 3.771 ) ((attr store1 < 0.923 and attr store1 > 0.863 ) and (bondedto (attr store1 < 119.545722631 and attr store1 > 118.745722631 ) or bondedto (attr store1 < 71.803 and attr store1 > 71.003 ) or bondedto (attr store1 < 24.0602773688 and attr store1 > 23.2602773688 ))) 6 0.1 0.1 peak 710 volume 22.15362 ppm1 0.893 ppm2 3.821 ! ############### C13_CNnoesy_manual.711 folded + assi (attr store1 < 3.067 and attr store1 > 2.967 ) ((attr store1 < 0.926 and attr store1 > 0.866 ) and (bondedto (attr store1 < 119.562722631 and attr store1 > 118.762722631 ) or bondedto (attr store1 < 71.82 and attr store1 > 71.02 ) or bondedto (attr store1 < 24.0772773688 and attr store1 > 23.2772773688 ))) 6 0.1 0.1 peak 711 volume 9.71133 ppm1 0.896 ppm2 3.017 ! ############### C13_CNnoesy_manual.712 folded + assi (attr store1 < 2.453 and attr store1 > 2.353 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.546722631 and attr store1 > 118.746722631 ) or bondedto (attr store1 < 71.804 and attr store1 > 71.004 ) or bondedto (attr store1 < 24.0612773688 and attr store1 > 23.2612773688 ))) 6 0.1 0.1 peak 712 volume 6.87811 ppm1 0.894 ppm2 2.403 ! ############### C13_CNnoesy_manual.713 folded + assi (attr store1 < 2.294 and attr store1 > 2.194 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.531722631 and attr store1 > 118.731722631 ) or bondedto (attr store1 < 71.789 and attr store1 > 70.989 ) or bondedto (attr store1 < 24.0462773688 and attr store1 > 23.2462773688 ))) 6 0.1 0.1 peak 713 volume 19.01352 ppm1 0.894 ppm2 2.244 ! ############### C13_CNnoesy_manual.714 folded + assi (attr store1 < 1.938 and attr store1 > 1.838 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.538722631 and attr store1 > 118.738722631 ) or bondedto (attr store1 < 71.796 and attr store1 > 70.996 ) or bondedto (attr store1 < 24.0532773688 and attr store1 > 23.2532773688 ))) 6 0.1 0.1 peak 714 volume 99.05761 ppm1 0.894 ppm2 1.888 ! ############### C13_CNnoesy_manual.715 folded + assi (attr store1 < 0.14 and attr store1 > 0.04 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 119.558722631 and attr store1 > 118.758722631 ) or bondedto (attr store1 < 71.816 and attr store1 > 71.016 ) or bondedto (attr store1 < 24.0732773688 and attr store1 > 23.2732773688 ))) 6 0.1 0.1 peak 715 volume 88.60828 ppm1 0.894 ppm2 0.090 ! ############### C13_CNnoesy_manual.716 folded + assi (attr store1 < 2.619 and attr store1 > 2.519 ) ((attr store1 < 6.89 and attr store1 > 6.83 ) and (bondedto (attr store1 < 119.494722631 and attr store1 > 118.694722631 ) or bondedto (attr store1 < 71.752 and attr store1 > 70.952 ) or bondedto (attr store1 < 24.0092773688 and attr store1 > 23.2092773688 ))) 6 0.1 0.1 peak 716 volume 5.57416 ppm1 6.860 ppm2 2.569 ! ############### C13_CNnoesy_manual.717 folded + assi (attr store1 < 2.361 and attr store1 > 2.261 ) ((attr store1 < 6.887 and attr store1 > 6.827 ) and (bondedto (attr store1 < 119.505722631 and attr store1 > 118.705722631 ) or bondedto (attr store1 < 71.763 and attr store1 > 70.963 ) or bondedto (attr store1 < 24.0202773688 and attr store1 > 23.2202773688 ))) 6 0.1 0.1 peak 717 volume 17.72918 ppm1 6.857 ppm2 2.311 ! ############### C13_CNnoesy_manual.718 folded + assi (attr store1 < 3.517 and attr store1 > 3.417 ) ((attr store1 < 3.496 and attr store1 > 3.436 ) and (bondedto (attr store1 < 119.369722631 and attr store1 > 118.569722631 ) or bondedto (attr store1 < 71.627 and attr store1 > 70.827 ) or bondedto (attr store1 < 23.8842773688 and attr store1 > 23.0842773688 ))) 6 0.1 0.1 peak 718 volume 10.26824 ppm1 3.466 ppm2 3.467 ! ############### C13_CNnoesy_manual.719 folded + assi (attr store1 < 3.404 and attr store1 > 3.304 ) ((attr store1 < 3.384 and attr store1 > 3.324 ) and (bondedto (attr store1 < 119.379722631 and attr store1 > 118.579722631 ) or bondedto (attr store1 < 71.637 and attr store1 > 70.837 ) or bondedto (attr store1 < 23.8942773688 and attr store1 > 23.0942773688 ))) 6 0.1 0.1 peak 719 volume 6.85805 ppm1 3.354 ppm2 3.354 ! ############### C13_CNnoesy_manual.720 folded + assi (attr store1 < 3.32 and attr store1 > 3.22 ) ((attr store1 < 3.303 and attr store1 > 3.243 ) and (bondedto (attr store1 < 119.375722631 and attr store1 > 118.575722631 ) or bondedto (attr store1 < 71.633 and attr store1 > 70.833 ) or bondedto (attr store1 < 23.8902773688 and attr store1 > 23.0902773688 ))) 6 0.1 0.1 peak 720 volume 29.88363 ppm1 3.273 ppm2 3.270 ! ############### C13_CNnoesy_manual.721 folded + assi (attr store1 < 3.174 and attr store1 > 3.074 ) ((attr store1 < 3.145 and attr store1 > 3.085 ) and (bondedto (attr store1 < 119.339722631 and attr store1 > 118.539722631 ) or bondedto (attr store1 < 71.597 and attr store1 > 70.797 ) or bondedto (attr store1 < 23.8542773688 and attr store1 > 23.0542773688 ))) 6 0.1 0.1 peak 721 volume 28.12656 ppm1 3.115 ppm2 3.124 ! ############### C13_CNnoesy_manual.722 folded + assi (attr store1 < 3.084 and attr store1 > 2.984 ) ((attr store1 < 3.073 and attr store1 > 3.013 ) and (bondedto (attr store1 < 119.350722631 and attr store1 > 118.550722631 ) or bondedto (attr store1 < 71.608 and attr store1 > 70.808 ) or bondedto (attr store1 < 23.8652773688 and attr store1 > 23.0652773688 ))) 6 0.1 0.1 peak 722 volume 22.57079 ppm1 3.043 ppm2 3.034 ! ############### C13_CNnoesy_manual.723 folded + assi (attr store1 < 2.27 and attr store1 > 2.17 ) ((attr store1 < 2.246 and attr store1 > 2.186 ) and (bondedto (attr store1 < 119.345722631 and attr store1 > 118.545722631 ) or bondedto (attr store1 < 71.603 and attr store1 > 70.803 ) or bondedto (attr store1 < 23.8602773688 and attr store1 > 23.0602773688 ))) 6 0.1 0.1 peak 723 volume 26.05066 ppm1 2.216 ppm2 2.220 ! ############### C13_CNnoesy_manual.724 folded + assi (attr store1 < 1.817 and attr store1 > 1.717 ) ((attr store1 < 1.797 and attr store1 > 1.737 ) and (bondedto (attr store1 < 119.327722631 and attr store1 > 118.527722631 ) or bondedto (attr store1 < 71.585 and attr store1 > 70.785 ) or bondedto (attr store1 < 23.8422773688 and attr store1 > 23.0422773688 ))) 6 0.1 0.1 peak 724 volume 125.56681 ppm1 1.767 ppm2 1.767 ! ############### C13_CNnoesy_manual.725 folded - assi (attr store1 < 8.004 and attr store1 > 7.904 ) ((attr store1 < 4.015 and attr store1 > 3.955 ) and (bondedto (attr store1 < 143.214083947 and attr store1 > 142.414083947 ) or bondedto (attr store1 < 47.7286386844 and attr store1 > 46.9286386844 ))) 6 0.1 0.1 peak 725 volume 10.80843 ppm1 3.985 ppm2 7.954 ! ############### C13_CNnoesy_manual.726 folded - assi (attr store1 < 8.312 and attr store1 > 8.212 ) ((attr store1 < 4.015 and attr store1 > 3.955 ) and (bondedto (attr store1 < 143.204083947 and attr store1 > 142.404083947 ) or bondedto (attr store1 < 47.7186386844 and attr store1 > 46.9186386844 ))) 6 0.1 0.1 peak 726 volume 10.96415 ppm1 3.985 ppm2 8.262 ! ############### C13_CNnoesy_manual.727 folded - assi (attr store1 < 4.894 and attr store1 > 4.794 ) ((attr store1 < 4.006 and attr store1 > 3.946 ) and (bondedto (attr store1 < 143.247083947 and attr store1 > 142.447083947 ) or bondedto (attr store1 < 47.7616386844 and attr store1 > 46.9616386844 ))) 6 0.1 0.1 peak 727 volume 11.5377 ppm1 3.976 ppm2 4.844 ! ############### C13_CNnoesy_manual.728 folded - assi (attr store1 < 4.019 and attr store1 > 3.919 ) ((attr store1 < 4.01 and attr store1 > 3.95 ) and (bondedto (attr store1 < 143.220083947 and attr store1 > 142.420083947 ) or bondedto (attr store1 < 47.7346386844 and attr store1 > 46.9346386844 ))) 6 0.1 0.1 peak 728 volume 156.56958 ppm1 3.980 ppm2 3.969 ! ############### C13_CNnoesy_manual.729 folded - assi (attr store1 < 3.923 and attr store1 > 3.823 ) ((attr store1 < 4.009 and attr store1 > 3.949 ) and (bondedto (attr store1 < 143.208083947 and attr store1 > 142.408083947 ) or bondedto (attr store1 < 47.7226386844 and attr store1 > 46.9226386844 ))) 6 0.1 0.1 peak 729 volume 175.67253 ppm1 3.979 ppm2 3.873 ! ############### C13_CNnoesy_manual.730 folded - assi (attr store1 < 2.072 and attr store1 > 1.972 ) ((attr store1 < 4.006 and attr store1 > 3.946 ) and (bondedto (attr store1 < 143.212083947 and attr store1 > 142.412083947 ) or bondedto (attr store1 < 47.7266386844 and attr store1 > 46.9266386844 ))) 6 0.1 0.1 peak 730 volume 12.15584 ppm1 3.976 ppm2 2.022 ! ############### C13_CNnoesy_manual.731 folded - assi (attr store1 < 1.843 and attr store1 > 1.743 ) ((attr store1 < 4.009 and attr store1 > 3.949 ) and (bondedto (attr store1 < 143.247083947 and attr store1 > 142.447083947 ) or bondedto (attr store1 < 47.7616386844 and attr store1 > 46.9616386844 ))) 6 0.1 0.1 peak 731 volume 9.88052 ppm1 3.979 ppm2 1.793 ! ############### C13_CNnoesy_manual.732 folded - assi (attr store1 < 8.005 and attr store1 > 7.905 ) ((attr store1 < 3.898 and attr store1 > 3.838 ) and (bondedto (attr store1 < 143.246083947 and attr store1 > 142.446083947 ) or bondedto (attr store1 < 47.7606386844 and attr store1 > 46.9606386844 ))) 6 0.1 0.1 peak 732 volume 13.2797 ppm1 3.868 ppm2 7.955 ! ############### C13_CNnoesy_manual.733 folded - assi (attr store1 < 4.882 and attr store1 > 4.782 ) ((attr store1 < 3.898 and attr store1 > 3.838 ) and (bondedto (attr store1 < 143.215083947 and attr store1 > 142.415083947 ) or bondedto (attr store1 < 47.7296386844 and attr store1 > 46.9296386844 ))) 6 0.1 0.1 peak 733 volume 13.45399 ppm1 3.868 ppm2 4.832 ! ############### C13_CNnoesy_manual.734 folded - assi (attr store1 < 1.843 and attr store1 > 1.743 ) ((attr store1 < 3.899 and attr store1 > 3.839 ) and (bondedto (attr store1 < 143.242083947 and attr store1 > 142.442083947 ) or bondedto (attr store1 < 47.7566386844 and attr store1 > 46.9566386844 ))) 6 0.1 0.1 peak 734 volume 13.03065 ppm1 3.869 ppm2 1.793 ! ############### C13_CNnoesy_manual.735 folded - assi (attr store1 < 8.312 and attr store1 > 8.212 ) ((attr store1 < 3.893 and attr store1 > 3.833 ) and (bondedto (attr store1 < 143.256083947 and attr store1 > 142.456083947 ) or bondedto (attr store1 < 47.7706386844 and attr store1 > 46.9706386844 ))) 6 0.1 0.1 peak 735 volume 13.52433 ppm1 3.863 ppm2 8.262 ! ############### C13_CNnoesy_manual.736 folded - assi (attr store1 < 4.006 and attr store1 > 3.906 ) ((attr store1 < 3.894 and attr store1 > 3.834 ) and (bondedto (attr store1 < 143.203083947 and attr store1 > 142.403083947 ) or bondedto (attr store1 < 47.7176386844 and attr store1 > 46.9176386844 ))) 6 0.1 0.1 peak 736 volume 183.12617 ppm1 3.864 ppm2 3.956 ! ############### C13_CNnoesy_manual.737 folded - assi (attr store1 < 3.929 and attr store1 > 3.829 ) ((attr store1 < 3.893 and attr store1 > 3.833 ) and (bondedto (attr store1 < 143.202083947 and attr store1 > 142.402083947 ) or bondedto (attr store1 < 47.7166386844 and attr store1 > 46.9166386844 ))) 6 0.1 0.1 peak 737 volume 178.73083 ppm1 3.863 ppm2 3.879 ! ############### C13_CNnoesy_manual.738 folded - assi (attr store1 < 2.074 and attr store1 > 1.974 ) ((attr store1 < 3.897 and attr store1 > 3.837 ) and (bondedto (attr store1 < 143.223083947 and attr store1 > 142.423083947 ) or bondedto (attr store1 < 47.7376386844 and attr store1 > 46.9376386844 ))) 6 0.1 0.1 peak 738 volume 14.11594 ppm1 3.867 ppm2 2.024 ! ############### C13_CNnoesy_manual.739 folded + assi (attr store1 < 8.013 and attr store1 > 7.913 ) ((attr store1 < 7.993 and attr store1 > 7.933 ) and (bondedto (attr store1 < 119.261722631 and attr store1 > 118.461722631 ) or bondedto (attr store1 < 71.519 and attr store1 > 70.719 ) or bondedto (attr store1 < 23.7762773688 and attr store1 > 22.9762773688 ))) 6 0.1 0.1 peak 739 volume 30.57608 ppm1 7.963 ppm2 7.963 ! ############### C13_CNnoesy_manual.740 folded + assi (attr store1 < 2.112 and attr store1 > 2.012 ) ((attr store1 < 2.245 and attr store1 > 2.185 ) and (bondedto (attr store1 < 119.289722631 and attr store1 > 118.489722631 ) or bondedto (attr store1 < 71.547 and attr store1 > 70.747 ) or bondedto (attr store1 < 23.8042773688 and attr store1 > 23.0042773688 ))) 6 0.1 0.1 peak 740 volume 13.97634 ppm1 2.215 ppm2 2.062 ! ############### C13_CNnoesy_manual.741 folded + assi (attr store1 < 2.104 and attr store1 > 2.004 ) ((attr store1 < 2.094 and attr store1 > 2.034 ) and (bondedto (attr store1 < 119.310722631 and attr store1 > 118.510722631 ) or bondedto (attr store1 < 71.568 and attr store1 > 70.768 ) or bondedto (attr store1 < 23.8252773688 and attr store1 > 23.0252773688 ))) 6 0.1 0.1 peak 741 volume 23.27862 ppm1 2.064 ppm2 2.054 ! ############### C13_CNnoesy_manual.742 folded + assi (attr store1 < 2.264 and attr store1 > 2.164 ) ((attr store1 < 2.083 and attr store1 > 2.023 ) and (bondedto (attr store1 < 119.265722631 and attr store1 > 118.465722631 ) or bondedto (attr store1 < 71.523 and attr store1 > 70.723 ) or bondedto (attr store1 < 23.7802773688 and attr store1 > 22.9802773688 ))) 6 0.1 0.1 peak 742 volume 13.30564 ppm1 2.053 ppm2 2.214 ! ############### C13_CNnoesy_manual.743 folded + assi (attr store1 < 1.108 and attr store1 > 1.008 ) ((attr store1 < 1.077 and attr store1 > 1.017 ) and (bondedto (attr store1 < 119.292722631 and attr store1 > 118.492722631 ) or bondedto (attr store1 < 71.55 and attr store1 > 70.75 ) or bondedto (attr store1 < 23.8072773688 and attr store1 > 23.0072773688 ))) 6 0.1 0.1 peak 743 volume 378.70505 ppm1 1.047 ppm2 1.058 ! ############### C13_CNnoesy_manual.744 folded - assi (attr store1 < 7.372 and attr store1 > 7.272 ) ((attr store1 < 7.352 and attr store1 > 7.292 ) and (bondedto (attr store1 < 143.113083947 and attr store1 > 142.313083947 ) or bondedto (attr store1 < 47.6276386844 and attr store1 > 46.8276386844 ))) 6 0.1 0.1 peak 744 volume 19.87815 ppm1 7.322 ppm2 7.322 ! ############### C13_CNnoesy_manual.745 folded - assi (attr store1 < 7.313 and attr store1 > 7.213 ) ((attr store1 < 7.327 and attr store1 > 7.267 ) and (bondedto (attr store1 < 143.194083947 and attr store1 > 142.394083947 ) or bondedto (attr store1 < 47.7086386844 and attr store1 > 46.9086386844 ))) 6 0.1 0.1 peak 745 volume 19.35939 ppm1 7.297 ppm2 7.263 ! ############### C13_CNnoesy_manual.746 folded + assi (attr store1 < 4.044 and attr store1 > 3.944 ) ((attr store1 < 6.774 and attr store1 > 6.714 ) and (bondedto (attr store1 < 119.155722631 and attr store1 > 118.355722631 ) or bondedto (attr store1 < 71.413 and attr store1 > 70.613 ) or bondedto (attr store1 < 23.6702773688 and attr store1 > 22.8702773688 ))) 6 0.1 0.1 peak 746 volume 6.63157 ppm1 6.744 ppm2 3.994 ! ############### C13_CNnoesy_manual.747 folded + assi (attr store1 < 1.31 and attr store1 > 1.21 ) ((attr store1 < 1.076 and attr store1 > 1.016 ) and (bondedto (attr store1 < 119.167722631 and attr store1 > 118.367722631 ) or bondedto (attr store1 < 71.425 and attr store1 > 70.625 ) or bondedto (attr store1 < 23.6822773688 and attr store1 > 22.8822773688 ))) 6 0.1 0.1 peak 747 volume 8.58623 ppm1 1.046 ppm2 1.260 ! ############### C13_CNnoesy_manual.748 folded + assi (attr store1 < 1.265 and attr store1 > 1.165 ) ((attr store1 < 1.073 and attr store1 > 1.013 ) and (bondedto (attr store1 < 119.225722631 and attr store1 > 118.425722631 ) or bondedto (attr store1 < 71.483 and attr store1 > 70.683 ) or bondedto (attr store1 < 23.7402773688 and attr store1 > 22.9402773688 ))) 6 0.1 0.1 peak 748 volume 8.53304 ppm1 1.043 ppm2 1.215 ! ############### C13_CNnoesy_manual.749 folded - assi (attr store1 < 1.516 and attr store1 > 1.416 ) ((attr store1 < 1.498 and attr store1 > 1.438 ) and (bondedto (attr store1 < 143.091083947 and attr store1 > 142.291083947 ) or bondedto (attr store1 < 47.6056386844 and attr store1 > 46.8056386844 ))) 6 0.1 0.1 peak 749 volume 97.61768 ppm1 1.468 ppm2 1.466 ! ############### C13_CNnoesy_manual.750 folded + assi (attr store1 < 7.307 and attr store1 > 7.207 ) ((attr store1 < 6.774 and attr store1 > 6.714 ) and (bondedto (attr store1 < 119.135722631 and attr store1 > 118.335722631 ) or bondedto (attr store1 < 71.393 and attr store1 > 70.593 ) or bondedto (attr store1 < 23.6502773688 and attr store1 > 22.8502773688 ))) 6 0.1 0.1 peak 750 volume 224.73357 ppm1 6.744 ppm2 7.257 ! ############### C13_CNnoesy_manual.751 folded + assi (attr store1 < 6.791 and attr store1 > 6.691 ) ((attr store1 < 6.77 and attr store1 > 6.71 ) and (bondedto (attr store1 < 119.094722631 and attr store1 > 118.294722631 ) or bondedto (attr store1 < 71.352 and attr store1 > 70.552 ) or bondedto (attr store1 < 23.6092773688 and attr store1 > 22.8092773688 ))) 6 0.1 0.1 peak 751 volume 2010.06555 ppm1 6.740 ppm2 6.741 ! ############### C13_CNnoesy_manual.752 folded + assi (attr store1 < 4.248 and attr store1 > 4.148 ) ((attr store1 < 6.774 and attr store1 > 6.714 ) and (bondedto (attr store1 < 119.123722631 and attr store1 > 118.323722631 ) or bondedto (attr store1 < 71.381 and attr store1 > 70.581 ) or bondedto (attr store1 < 23.6382773688 and attr store1 > 22.8382773688 ))) 6 0.1 0.1 peak 752 volume 15.63293 ppm1 6.744 ppm2 4.198 ! ############### C13_CNnoesy_manual.753 folded + assi (attr store1 < 2.22 and attr store1 > 2.12 ) ((attr store1 < 6.772 and attr store1 > 6.712 ) and (bondedto (attr store1 < 119.119722631 and attr store1 > 118.319722631 ) or bondedto (attr store1 < 71.377 and attr store1 > 70.577 ) or bondedto (attr store1 < 23.6342773688 and attr store1 > 22.8342773688 ))) 6 0.1 0.1 peak 753 volume 10.42360 ppm1 6.742 ppm2 2.170 ! ############### C13_CNnoesy_manual.754 folded + assi (attr store1 < 1.847 and attr store1 > 1.747 ) ((attr store1 < 6.774 and attr store1 > 6.714 ) and (bondedto (attr store1 < 119.107722631 and attr store1 > 118.307722631 ) or bondedto (attr store1 < 71.365 and attr store1 > 70.565 ) or bondedto (attr store1 < 23.6222773688 and attr store1 > 22.8222773688 ))) 6 0.1 0.1 peak 754 volume 31.81900 ppm1 6.744 ppm2 1.797 ! ############### C13_CNnoesy_manual.755 folded + assi (attr store1 < 1.624 and attr store1 > 1.524 ) ((attr store1 < 6.773 and attr store1 > 6.713 ) and (bondedto (attr store1 < 119.095722631 and attr store1 > 118.295722631 ) or bondedto (attr store1 < 71.353 and attr store1 > 70.553 ) or bondedto (attr store1 < 23.6102773688 and attr store1 > 22.8102773688 ))) 6 0.1 0.1 peak 755 volume 19.98839 ppm1 6.743 ppm2 1.574 ! ############### C13_CNnoesy_manual.756 folded + assi (attr store1 < 1.39 and attr store1 > 1.29 ) ((attr store1 < 6.773 and attr store1 > 6.713 ) and (bondedto (attr store1 < 119.097722631 and attr store1 > 118.297722631 ) or bondedto (attr store1 < 71.355 and attr store1 > 70.555 ) or bondedto (attr store1 < 23.6122773688 and attr store1 > 22.8122773688 ))) 6 0.1 0.1 peak 756 volume 20.92082 ppm1 6.743 ppm2 1.340 ! ############### C13_CNnoesy_manual.757 folded + assi (attr store1 < 1.227 and attr store1 > 1.127 ) ((attr store1 < 6.771 and attr store1 > 6.711 ) and (bondedto (attr store1 < 119.089722631 and attr store1 > 118.289722631 ) or bondedto (attr store1 < 71.347 and attr store1 > 70.547 ) or bondedto (attr store1 < 23.6042773688 and attr store1 > 22.8042773688 ))) 6 0.1 0.1 peak 757 volume 27.89151 ppm1 6.741 ppm2 1.177 ! ############### C13_CNnoesy_manual.758 folded + assi (attr store1 < 1.057 and attr store1 > 0.957 ) ((attr store1 < 6.774 and attr store1 > 6.714 ) and (bondedto (attr store1 < 119.099722631 and attr store1 > 118.299722631 ) or bondedto (attr store1 < 71.357 and attr store1 > 70.557 ) or bondedto (attr store1 < 23.6142773688 and attr store1 > 22.8142773688 ))) 6 0.1 0.1 peak 758 volume 51.67035 ppm1 6.744 ppm2 1.007 ! ############### C13_CNnoesy_manual.759 folded + assi (attr store1 < 0.919 and attr store1 > 0.819 ) ((attr store1 < 6.772 and attr store1 > 6.712 ) and (bondedto (attr store1 < 119.107722631 and attr store1 > 118.307722631 ) or bondedto (attr store1 < 71.365 and attr store1 > 70.565 ) or bondedto (attr store1 < 23.6222773688 and attr store1 > 22.8222773688 ))) 6 0.1 0.1 peak 759 volume 65.64412 ppm1 6.742 ppm2 0.869 ! ############### C13_CNnoesy_manual.760 folded + assi (attr store1 < 2.852 and attr store1 > 2.752 ) ((attr store1 < 2.831 and attr store1 > 2.771 ) and (bondedto (attr store1 < 119.081722631 and attr store1 > 118.281722631 ) or bondedto (attr store1 < 71.339 and attr store1 > 70.539 ) or bondedto (attr store1 < 23.5962773688 and attr store1 > 22.7962773688 ))) 6 0.1 0.1 peak 760 volume 34.90036 ppm1 2.801 ppm2 2.802 ! ############### C13_CNnoesy_manual.761 folded + assi (attr store1 < 2.512 and attr store1 > 2.412 ) ((attr store1 < 2.49 and attr store1 > 2.43 ) and (bondedto (attr store1 < 119.049722631 and attr store1 > 118.249722631 ) or bondedto (attr store1 < 71.307 and attr store1 > 70.507 ) or bondedto (attr store1 < 23.5642773688 and attr store1 > 22.7642773688 ))) 6 0.1 0.1 peak 761 volume 51.86704 ppm1 2.460 ppm2 2.462 ! ############### C13_CNnoesy_manual.762 folded + assi (attr store1 < 2.334 and attr store1 > 2.234 ) ((attr store1 < 1.075 and attr store1 > 1.015 ) and (bondedto (attr store1 < 119.128722631 and attr store1 > 118.328722631 ) or bondedto (attr store1 < 71.386 and attr store1 > 70.586 ) or bondedto (attr store1 < 23.6432773688 and attr store1 > 22.8432773688 ))) 6 0.1 0.1 peak 762 volume 7.57566 ppm1 1.045 ppm2 2.284 ! ############### C13_CNnoesy_manual.763 folded + assi (attr store1 < 7.322 and attr store1 > 7.222 ) ((attr store1 < 0.89 and attr store1 > 0.83 ) and (bondedto (attr store1 < 119.060722631 and attr store1 > 118.260722631 ) or bondedto (attr store1 < 71.318 and attr store1 > 70.518 ) or bondedto (attr store1 < 23.5752773688 and attr store1 > 22.7752773688 ))) 6 0.1 0.1 peak 763 volume 38.89101 ppm1 0.860 ppm2 7.272 ! ############### C13_CNnoesy_manual.764 folded + assi (attr store1 < 6.792 and attr store1 > 6.692 ) ((attr store1 < 0.891 and attr store1 > 0.831 ) and (bondedto (attr store1 < 119.044722631 and attr store1 > 118.244722631 ) or bondedto (attr store1 < 71.302 and attr store1 > 70.502 ) or bondedto (attr store1 < 23.5592773688 and attr store1 > 22.7592773688 ))) 6 0.1 0.1 peak 764 volume 46.01721 ppm1 0.861 ppm2 6.742 ! ############### C13_CNnoesy_manual.765 folded + assi (attr store1 < 1.981 and attr store1 > 1.881 ) ((attr store1 < 0.888 and attr store1 > 0.828 ) and (bondedto (attr store1 < 119.100722631 and attr store1 > 118.300722631 ) or bondedto (attr store1 < 71.358 and attr store1 > 70.558 ) or bondedto (attr store1 < 23.6152773688 and attr store1 > 22.8152773688 ))) 6 0.1 0.1 peak 765 volume 117.21786 ppm1 0.858 ppm2 1.931 ! ############### C13_CNnoesy_manual.766 folded + assi (attr store1 < 8.757 and attr store1 > 8.657 ) ((attr store1 < 0.885 and attr store1 > 0.825 ) and (bondedto (attr store1 < 119.073722631 and attr store1 > 118.273722631 ) or bondedto (attr store1 < 71.331 and attr store1 > 70.531 ) or bondedto (attr store1 < 23.5882773688 and attr store1 > 22.7882773688 ))) 6 0.1 0.1 peak 766 volume 7.62368 ppm1 0.855 ppm2 8.707 ! ############### C13_CNnoesy_manual.767 folded + assi (attr store1 < 8.237 and attr store1 > 8.137 ) ((attr store1 < 0.888 and attr store1 > 0.828 ) and (bondedto (attr store1 < 119.090722631 and attr store1 > 118.290722631 ) or bondedto (attr store1 < 71.348 and attr store1 > 70.548 ) or bondedto (attr store1 < 23.6052773688 and attr store1 > 22.8052773688 ))) 6 0.1 0.1 peak 767 volume 19.38089 ppm1 0.858 ppm2 8.187 ! ############### C13_CNnoesy_manual.768 folded + assi (attr store1 < 4.244 and attr store1 > 4.144 ) ((attr store1 < 0.888 and attr store1 > 0.828 ) and (bondedto (attr store1 < 119.088722631 and attr store1 > 118.288722631 ) or bondedto (attr store1 < 71.346 and attr store1 > 70.546 ) or bondedto (attr store1 < 23.6032773688 and attr store1 > 22.8032773688 ))) 6 0.1 0.1 peak 768 volume 107.84724 ppm1 0.858 ppm2 4.194 ! ############### C13_CNnoesy_manual.769 folded + assi (attr store1 < 3.566 and attr store1 > 3.466 ) ((attr store1 < 0.885 and attr store1 > 0.825 ) and (bondedto (attr store1 < 119.090722631 and attr store1 > 118.290722631 ) or bondedto (attr store1 < 71.348 and attr store1 > 70.548 ) or bondedto (attr store1 < 23.6052773688 and attr store1 > 22.8052773688 ))) 6 0.1 0.1 peak 769 volume 7.62597 ppm1 0.855 ppm2 3.516 ! ############### C13_CNnoesy_manual.770 folded + assi (attr store1 < 1.568 and attr store1 > 1.468 ) ((attr store1 < 0.888 and attr store1 > 0.828 ) and (bondedto (attr store1 < 119.084722631 and attr store1 > 118.284722631 ) or bondedto (attr store1 < 71.342 and attr store1 > 70.542 ) or bondedto (attr store1 < 23.5992773688 and attr store1 > 22.7992773688 ))) 6 0.1 0.1 peak 770 volume 70.86375 ppm1 0.858 ppm2 1.518 ! ############### C13_CNnoesy_manual.771 folded - assi (attr store1 < 2.196 and attr store1 > 2.096 ) ((attr store1 < 2.17 and attr store1 > 2.11 ) and (bondedto (attr store1 < 142.990083947 and attr store1 > 142.190083947 ) or bondedto (attr store1 < 47.5046386844 and attr store1 > 46.7046386844 ))) 6 0.1 0.1 peak 771 volume 68.23432 ppm1 2.140 ppm2 2.146 ! ############### C13_CNnoesy_manual.772 folded + assi (attr store1 < 8.283 and attr store1 > 8.183 ) ((attr store1 < 6.768 and attr store1 > 6.708 ) and (bondedto (attr store1 < 119.038722631 and attr store1 > 118.238722631 ) or bondedto (attr store1 < 71.296 and attr store1 > 70.496 ) or bondedto (attr store1 < 23.5532773688 and attr store1 > 22.7532773688 ))) 6 0.1 0.1 peak 772 volume 6.03024 ppm1 6.738 ppm2 8.233 ! ############### C13_CNnoesy_manual.773 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 6.761 and attr store1 > 6.701 ) and (bondedto (attr store1 < 118.959722631 and attr store1 > 118.159722631 ) or bondedto (attr store1 < 71.217 and attr store1 > 70.417 ) or bondedto (attr store1 < 23.4742773688 and attr store1 > 22.6742773688 ))) 6 0.1 0.1 peak 773 volume 52.50529 ppm1 6.731 ppm2 4.839 ! ############### C13_CNnoesy_manual.774 folded + assi (attr store1 < 1.067 and attr store1 > 0.967 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 118.875722631 and attr store1 > 118.075722631 ) or bondedto (attr store1 < 71.133 and attr store1 > 70.333 ) or bondedto (attr store1 < 23.3902773688 and attr store1 > 22.5902773688 ))) 6 0.1 0.1 peak 774 volume 39.09553 ppm1 7.029 ppm2 1.017 ! ############### C13_CNnoesy_manual.775 folded + assi (attr store1 < 7.184 and attr store1 > 7.084 ) ((attr store1 < 0.908 and attr store1 > 0.848 ) and (bondedto (attr store1 < 118.888722631 and attr store1 > 118.088722631 ) or bondedto (attr store1 < 71.146 and attr store1 > 70.346 ) or bondedto (attr store1 < 23.4032773688 and attr store1 > 22.6032773688 ))) 6 0.1 0.1 peak 775 volume 10.36518 ppm1 0.878 ppm2 7.134 ! ############### C13_CNnoesy_manual.776 folded + assi (attr store1 < 7.099 and attr store1 > 6.999 ) ((attr store1 < 0.908 and attr store1 > 0.848 ) and (bondedto (attr store1 < 118.876722631 and attr store1 > 118.076722631 ) or bondedto (attr store1 < 71.134 and attr store1 > 70.334 ) or bondedto (attr store1 < 23.3912773688 and attr store1 > 22.5912773688 ))) 6 0.1 0.1 peak 776 volume 11.03006 ppm1 0.878 ppm2 7.049 ! ############### C13_CNnoesy_manual.777 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 0.907 and attr store1 > 0.847 ) and (bondedto (attr store1 < 118.889722631 and attr store1 > 118.089722631 ) or bondedto (attr store1 < 71.147 and attr store1 > 70.347 ) or bondedto (attr store1 < 23.4042773688 and attr store1 > 22.6042773688 ))) 6 0.1 0.1 peak 777 volume 24.77496 ppm1 0.877 ppm2 4.838 ! ############### C13_CNnoesy_manual.778 folded + assi (attr store1 < 3.145 and attr store1 > 3.045 ) ((attr store1 < 0.912 and attr store1 > 0.852 ) and (bondedto (attr store1 < 118.874722631 and attr store1 > 118.074722631 ) or bondedto (attr store1 < 71.132 and attr store1 > 70.332 ) or bondedto (attr store1 < 23.3892773688 and attr store1 > 22.5892773688 ))) 6 0.1 0.1 peak 778 volume 8.39246 ppm1 0.882 ppm2 3.095 ! ############### C13_CNnoesy_manual.779 folded + assi (attr store1 < 1.407 and attr store1 > 1.307 ) ((attr store1 < 0.904 and attr store1 > 0.844 ) and (bondedto (attr store1 < 118.927722631 and attr store1 > 118.127722631 ) or bondedto (attr store1 < 71.185 and attr store1 > 70.385 ) or bondedto (attr store1 < 23.4422773688 and attr store1 > 22.6422773688 ))) 6 0.1 0.1 peak 779 volume 40.56927 ppm1 0.874 ppm2 1.357 ! ############### C13_CNnoesy_manual.780 folded + assi (attr store1 < 1.226 and attr store1 > 1.126 ) ((attr store1 < 0.909 and attr store1 > 0.849 ) and (bondedto (attr store1 < 118.881722631 and attr store1 > 118.081722631 ) or bondedto (attr store1 < 71.139 and attr store1 > 70.339 ) or bondedto (attr store1 < 23.3962773688 and attr store1 > 22.5962773688 ))) 6 0.1 0.1 peak 780 volume 85.20602 ppm1 0.879 ppm2 1.176 ! ############### C13_CNnoesy_manual.781 folded + assi (attr store1 < 1.074 and attr store1 > 0.974 ) ((attr store1 < 0.908 and attr store1 > 0.848 ) and (bondedto (attr store1 < 118.894722631 and attr store1 > 118.094722631 ) or bondedto (attr store1 < 71.152 and attr store1 > 70.352 ) or bondedto (attr store1 < 23.4092773688 and attr store1 > 22.6092773688 ))) 6 0.1 0.1 peak 781 volume 282.00815 ppm1 0.878 ppm2 1.024 ! ############### C13_CNnoesy_manual.782 folded + assi (attr store1 < 0.928 and attr store1 > 0.828 ) ((attr store1 < 0.908 and attr store1 > 0.848 ) and (bondedto (attr store1 < 118.897722631 and attr store1 > 118.097722631 ) or bondedto (attr store1 < 71.155 and attr store1 > 70.355 ) or bondedto (attr store1 < 23.4122773688 and attr store1 > 22.6122773688 ))) 6 0.1 0.1 peak 782 volume 5437.82715 ppm1 0.878 ppm2 0.878 ! ############### C13_CNnoesy_manual.783 folded + assi (attr store1 < 0.662 and attr store1 > 0.562 ) ((attr store1 < 0.904 and attr store1 > 0.844 ) and (bondedto (attr store1 < 118.921722631 and attr store1 > 118.121722631 ) or bondedto (attr store1 < 71.179 and attr store1 > 70.379 ) or bondedto (attr store1 < 23.4362773688 and attr store1 > 22.6362773688 ))) 6 0.1 0.1 peak 783 volume 25.65162 ppm1 0.874 ppm2 0.612 ! ############### C13_CNnoesy_manual.784 folded + assi (attr store1 < 0.564 and attr store1 > 0.464 ) ((attr store1 < 0.906 and attr store1 > 0.846 ) and (bondedto (attr store1 < 118.884722631 and attr store1 > 118.084722631 ) or bondedto (attr store1 < 71.142 and attr store1 > 70.342 ) or bondedto (attr store1 < 23.3992773688 and attr store1 > 22.5992773688 ))) 6 0.1 0.1 peak 784 volume 12.10605 ppm1 0.876 ppm2 0.514 ! ############### C13_CNnoesy_manual.785 folded - assi (attr store1 < 1.412 and attr store1 > 1.312 ) ((attr store1 < 1.382 and attr store1 > 1.322 ) and (bondedto (attr store1 < 142.759083947 and attr store1 > 141.959083947 ) or bondedto (attr store1 < 47.2736386844 and attr store1 > 46.4736386844 ))) 6 0.1 0.1 peak 785 volume 107.02044 ppm1 1.352 ppm2 1.362 ! ############### C13_CNnoesy_manual.786 folded + assi (attr store1 < 6.763 and attr store1 > 6.663 ) ((attr store1 < 7.068 and attr store1 > 7.008 ) and (bondedto (attr store1 < 118.854722631 and attr store1 > 118.054722631 ) or bondedto (attr store1 < 71.112 and attr store1 > 70.312 ) or bondedto (attr store1 < 23.3692773688 and attr store1 > 22.5692773688 ))) 6 0.1 0.1 peak 786 volume 27.33846 ppm1 7.038 ppm2 6.713 ! ############### C13_CNnoesy_manual.787 folded + assi (attr store1 < 7.246 and attr store1 > 7.146 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 118.783722631 and attr store1 > 117.983722631 ) or bondedto (attr store1 < 71.041 and attr store1 > 70.241 ) or bondedto (attr store1 < 23.2982773688 and attr store1 > 22.4982773688 ))) 6 0.1 0.1 peak 787 volume 8.44982 ppm1 7.029 ppm2 7.196 ! ############### C13_CNnoesy_manual.788 folded + assi (attr store1 < 0.69 and attr store1 > 0.59 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 118.783722631 and attr store1 > 117.983722631 ) or bondedto (attr store1 < 71.041 and attr store1 > 70.241 ) or bondedto (attr store1 < 23.2982773688 and attr store1 > 22.4982773688 ))) 6 0.1 0.1 peak 788 volume 5.99891 ppm1 7.029 ppm2 0.640 ! ############### C13_CNnoesy_manual.789 folded + assi (attr store1 < 7.088 and attr store1 > 6.988 ) ((attr store1 < 6.743 and attr store1 > 6.683 ) and (bondedto (attr store1 < 118.815722631 and attr store1 > 118.015722631 ) or bondedto (attr store1 < 71.073 and attr store1 > 70.273 ) or bondedto (attr store1 < 23.3302773688 and attr store1 > 22.5302773688 ))) 6 0.1 0.1 peak 789 volume 232.18361 ppm1 6.713 ppm2 7.038 ! ############### C13_CNnoesy_manual.790 folded + assi (attr store1 < 4.535 and attr store1 > 4.435 ) ((attr store1 < 6.745 and attr store1 > 6.685 ) and (bondedto (attr store1 < 118.817722631 and attr store1 > 118.017722631 ) or bondedto (attr store1 < 71.075 and attr store1 > 70.275 ) or bondedto (attr store1 < 23.3322773688 and attr store1 > 22.5322773688 ))) 6 0.1 0.1 peak 790 volume 8.05396 ppm1 6.715 ppm2 4.485 ! ############### C13_CNnoesy_manual.791 folded + assi (attr store1 < 2.852 and attr store1 > 2.752 ) ((attr store1 < 6.745 and attr store1 > 6.685 ) and (bondedto (attr store1 < 118.832722631 and attr store1 > 118.032722631 ) or bondedto (attr store1 < 71.09 and attr store1 > 70.29 ) or bondedto (attr store1 < 23.3472773688 and attr store1 > 22.5472773688 ))) 6 0.1 0.1 peak 791 volume 22.15602 ppm1 6.715 ppm2 2.802 ! ############### C13_CNnoesy_manual.792 folded + assi (attr store1 < 6.776 and attr store1 > 6.676 ) ((attr store1 < 6.59 and attr store1 > 6.53 ) and (bondedto (attr store1 < 118.818722631 and attr store1 > 118.018722631 ) or bondedto (attr store1 < 71.076 and attr store1 > 70.276 ) or bondedto (attr store1 < 23.3332773688 and attr store1 > 22.5332773688 ))) 6 0.1 0.1 peak 792 volume 27.47367 ppm1 6.560 ppm2 6.726 ! ############### C13_CNnoesy_manual.793 folded + assi (attr store1 < 8.596 and attr store1 > 8.496 ) ((attr store1 < 0.909 and attr store1 > 0.849 ) and (bondedto (attr store1 < 118.855722631 and attr store1 > 118.055722631 ) or bondedto (attr store1 < 71.113 and attr store1 > 70.313 ) or bondedto (attr store1 < 23.3702773688 and attr store1 > 22.5702773688 ))) 6 0.1 0.1 peak 793 volume 8.58467 ppm1 0.879 ppm2 8.546 ! ############### C13_CNnoesy_manual.794 folded + assi (attr store1 < 7.736 and attr store1 > 7.636 ) ((attr store1 < 0.91 and attr store1 > 0.85 ) and (bondedto (attr store1 < 118.838722631 and attr store1 > 118.038722631 ) or bondedto (attr store1 < 71.096 and attr store1 > 70.296 ) or bondedto (attr store1 < 23.3532773688 and attr store1 > 22.5532773688 ))) 6 0.1 0.1 peak 794 volume 7.16373 ppm1 0.880 ppm2 7.686 ! ############### C13_CNnoesy_manual.795 folded + assi (attr store1 < 3.999 and attr store1 > 3.899 ) ((attr store1 < 0.91 and attr store1 > 0.85 ) and (bondedto (attr store1 < 118.855722631 and attr store1 > 118.055722631 ) or bondedto (attr store1 < 71.113 and attr store1 > 70.313 ) or bondedto (attr store1 < 23.3702773688 and attr store1 > 22.5702773688 ))) 6 0.1 0.1 peak 795 volume 127.53117 ppm1 0.880 ppm2 3.949 ! ############### C13_CNnoesy_manual.796 folded - assi (attr store1 < 1.841 and attr store1 > 1.741 ) ((attr store1 < 1.823 and attr store1 > 1.763 ) and (bondedto (attr store1 < 142.635083947 and attr store1 > 141.835083947 ) or bondedto (attr store1 < 47.1496386844 and attr store1 > 46.3496386844 ))) 6 0.1 0.1 peak 796 volume 126.82693 ppm1 1.793 ppm2 1.791 ! ############### C13_CNnoesy_manual.797 folded + assi (attr store1 < 7.198 and attr store1 > 7.098 ) ((attr store1 < 6.906 and attr store1 > 6.846 ) and (bondedto (attr store1 < 118.759722631 and attr store1 > 117.959722631 ) or bondedto (attr store1 < 71.017 and attr store1 > 70.217 ) or bondedto (attr store1 < 23.2742773688 and attr store1 > 22.4742773688 ))) 6 0.1 0.1 peak 797 volume 29.99663 ppm1 6.876 ppm2 7.148 ! ############### C13_CNnoesy_manual.798 folded - assi (attr store1 < 8.012 and attr store1 > 7.912 ) ((attr store1 < 7.99 and attr store1 > 7.93 ) and (bondedto (attr store1 < 142.627083947 and attr store1 > 141.827083947 ) or bondedto (attr store1 < 47.1416386844 and attr store1 > 46.3416386844 ))) 6 0.1 0.1 peak 798 volume 15.89713 ppm1 7.960 ppm2 7.962 ! ############### C13_CNnoesy_manual.799 folded - assi (attr store1 < 1.629 and attr store1 > 1.529 ) ((attr store1 < 1.61 and attr store1 > 1.55 ) and (bondedto (attr store1 < 142.577083947 and attr store1 > 141.777083947 ) or bondedto (attr store1 < 47.0916386844 and attr store1 > 46.2916386844 ))) 6 0.1 0.1 peak 799 volume 84.55762 ppm1 1.580 ppm2 1.579 ! ############### C13_CNnoesy_manual.800 folded - assi (attr store1 < 0.8 and attr store1 > 0.7 ) ((attr store1 < 0.781 and attr store1 > 0.721 ) and (bondedto (attr store1 < 142.548083947 and attr store1 > 141.748083947 ) or bondedto (attr store1 < 47.0626386844 and attr store1 > 46.2626386844 ))) 6 0.1 0.1 peak 800 volume 84.30951 ppm1 0.751 ppm2 0.750 ! ############### C13_CNnoesy_manual.801 folded + assi (attr store1 < 7.079 and attr store1 > 6.979 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 118.638722631 and attr store1 > 117.838722631 ) or bondedto (attr store1 < 70.896 and attr store1 > 70.096 ) or bondedto (attr store1 < 23.1532773688 and attr store1 > 22.3532773688 ))) 6 0.1 0.1 peak 801 volume 553.39166 ppm1 7.029 ppm2 7.029 ! ############### C13_CNnoesy_manual.802 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 118.663722631 and attr store1 > 117.863722631 ) or bondedto (attr store1 < 70.921 and attr store1 > 70.121 ) or bondedto (attr store1 < 23.1782773688 and attr store1 > 22.3782773688 ))) 6 0.1 0.1 peak 802 volume 27.63078 ppm1 7.029 ppm2 4.838 ! ############### C13_CNnoesy_manual.803 folded + assi (attr store1 < 3.254 and attr store1 > 3.154 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 118.638722631 and attr store1 > 117.838722631 ) or bondedto (attr store1 < 70.896 and attr store1 > 70.096 ) or bondedto (attr store1 < 23.1532773688 and attr store1 > 22.3532773688 ))) 6 0.1 0.1 peak 803 volume 26.59936 ppm1 7.029 ppm2 3.204 ! ############### C13_CNnoesy_manual.804 folded + assi (attr store1 < 6.944 and attr store1 > 6.844 ) ((attr store1 < 6.925 and attr store1 > 6.865 ) and (bondedto (attr store1 < 118.603722631 and attr store1 > 117.803722631 ) or bondedto (attr store1 < 70.861 and attr store1 > 70.061 ) or bondedto (attr store1 < 23.1182773688 and attr store1 > 22.3182773688 ))) 6 0.1 0.1 peak 804 volume 236.01636 ppm1 6.895 ppm2 6.894 ! ############### C13_CNnoesy_manual.805 folded + assi (attr store1 < 1.392 and attr store1 > 1.292 ) ((attr store1 < 6.59 and attr store1 > 6.53 ) and (bondedto (attr store1 < 118.579722631 and attr store1 > 117.779722631 ) or bondedto (attr store1 < 70.837 and attr store1 > 70.037 ) or bondedto (attr store1 < 23.0942773688 and attr store1 > 22.2942773688 ))) 6 0.1 0.1 peak 805 volume 6.46956 ppm1 6.560 ppm2 1.342 ! ############### C13_CNnoesy_manual.806 folded + assi (attr store1 < 4.048 and attr store1 > 3.948 ) ((attr store1 < 3.955 and attr store1 > 3.895 ) and (bondedto (attr store1 < 118.650722631 and attr store1 > 117.850722631 ) or bondedto (attr store1 < 70.908 and attr store1 > 70.108 ) or bondedto (attr store1 < 23.1652773688 and attr store1 > 22.3652773688 ))) 6 0.1 0.1 peak 806 volume 10.06484 ppm1 3.925 ppm2 3.998 ! ############### C13_CNnoesy_manual.807 folded - assi (attr store1 < 1.66 and attr store1 > 1.56 ) ((attr store1 < 1.636 and attr store1 > 1.576 ) and (bondedto (attr store1 < 142.493083947 and attr store1 > 141.693083947 ) or bondedto (attr store1 < 47.0076386844 and attr store1 > 46.2076386844 ))) 6 0.1 0.1 peak 807 volume 65.44382 ppm1 1.606 ppm2 1.610 ! ############### C13_CNnoesy_manual.808 folded + assi (attr store1 < 1.073 and attr store1 > 0.973 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 118.565722631 and attr store1 > 117.765722631 ) or bondedto (attr store1 < 70.823 and attr store1 > 70.023 ) or bondedto (attr store1 < 23.0802773688 and attr store1 > 22.2802773688 ))) 6 0.1 0.1 peak 808 volume 38.25964 ppm1 7.029 ppm2 1.023 ! ############### C13_CNnoesy_manual.809 folded + assi (attr store1 < 6.609 and attr store1 > 6.509 ) ((attr store1 < 6.588 and attr store1 > 6.528 ) and (bondedto (attr store1 < 118.549722631 and attr store1 > 117.749722631 ) or bondedto (attr store1 < 70.807 and attr store1 > 70.007 ) or bondedto (attr store1 < 23.0642773688 and attr store1 > 22.2642773688 ))) 6 0.1 0.1 peak 809 volume 508.82751 ppm1 6.558 ppm2 6.559 ! ############### C13_CNnoesy_manual.810 folded + assi (attr store1 < 2.566 and attr store1 > 2.466 ) ((attr store1 < 2.545 and attr store1 > 2.485 ) and (bondedto (attr store1 < 118.563722631 and attr store1 > 117.763722631 ) or bondedto (attr store1 < 70.821 and attr store1 > 70.021 ) or bondedto (attr store1 < 23.0782773688 and attr store1 > 22.2782773688 ))) 6 0.1 0.1 peak 810 volume 29.94252 ppm1 2.515 ppm2 2.516 ! ############### C13_CNnoesy_manual.811 folded + assi (attr store1 < 2.187 and attr store1 > 2.087 ) ((attr store1 < 2.172 and attr store1 > 2.112 ) and (bondedto (attr store1 < 118.562722631 and attr store1 > 117.762722631 ) or bondedto (attr store1 < 70.82 and attr store1 > 70.02 ) or bondedto (attr store1 < 23.0772773688 and attr store1 > 22.2772773688 ))) 6 0.1 0.1 peak 811 volume 53.05672 ppm1 2.142 ppm2 2.137 ! ############### C13_CNnoesy_manual.812 folded - assi (attr store1 < 2.076 and attr store1 > 1.976 ) ((attr store1 < 2.079 and attr store1 > 2.019 ) and (bondedto (attr store1 < 142.372083947 and attr store1 > 141.572083947 ) or bondedto (attr store1 < 46.8866386844 and attr store1 > 46.0866386844 ))) 6 0.1 0.1 peak 812 volume 15.16325 ppm1 2.049 ppm2 2.026 ! ############### C13_CNnoesy_manual.813 folded + assi (attr store1 < 7.358 and attr store1 > 7.258 ) ((attr store1 < 7.335 and attr store1 > 7.275 ) and (bondedto (attr store1 < 118.416722631 and attr store1 > 117.616722631 ) or bondedto (attr store1 < 70.674 and attr store1 > 69.874 ) or bondedto (attr store1 < 22.9312773688 and attr store1 > 22.1312773688 ))) 6 0.1 0.1 peak 813 volume 21.69498 ppm1 7.305 ppm2 7.308 ! ############### C13_CNnoesy_manual.814 folded + assi (attr store1 < 6.444 and attr store1 > 6.344 ) ((attr store1 < 6.587 and attr store1 > 6.527 ) and (bondedto (attr store1 < 118.396722631 and attr store1 > 117.596722631 ) or bondedto (attr store1 < 70.654 and attr store1 > 69.854 ) or bondedto (attr store1 < 22.9112773688 and attr store1 > 22.1112773688 ))) 6 0.1 0.1 peak 814 volume 8.98538 ppm1 6.557 ppm2 6.394 ! ############### C13_CNnoesy_manual.815 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 6.589 and attr store1 > 6.529 ) and (bondedto (attr store1 < 118.479722631 and attr store1 > 117.679722631 ) or bondedto (attr store1 < 70.737 and attr store1 > 69.937 ) or bondedto (attr store1 < 22.9942773688 and attr store1 > 22.1942773688 ))) 6 0.1 0.1 peak 815 volume 20.27087 ppm1 6.559 ppm2 4.839 ! ############### C13_CNnoesy_manual.816 folded + assi (attr store1 < 3.339 and attr store1 > 3.239 ) ((attr store1 < 6.588 and attr store1 > 6.528 ) and (bondedto (attr store1 < 118.452722631 and attr store1 > 117.652722631 ) or bondedto (attr store1 < 70.71 and attr store1 > 69.91 ) or bondedto (attr store1 < 22.9672773688 and attr store1 > 22.1672773688 ))) 6 0.1 0.1 peak 816 volume 7.46583 ppm1 6.558 ppm2 3.289 ! ############### C13_CNnoesy_manual.817 folded + assi (attr store1 < 3.065 and attr store1 > 2.965 ) ((attr store1 < 6.59 and attr store1 > 6.53 ) and (bondedto (attr store1 < 118.449722631 and attr store1 > 117.649722631 ) or bondedto (attr store1 < 70.707 and attr store1 > 69.907 ) or bondedto (attr store1 < 22.9642773688 and attr store1 > 22.1642773688 ))) 6 0.1 0.1 peak 817 volume 6.49664 ppm1 6.560 ppm2 3.015 ! ############### C13_CNnoesy_manual.818 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 3.908 and attr store1 > 3.848 ) and (bondedto (attr store1 < 118.406722631 and attr store1 > 117.606722631 ) or bondedto (attr store1 < 70.664 and attr store1 > 69.864 ) or bondedto (attr store1 < 22.9212773688 and attr store1 > 22.1212773688 ))) 6 0.1 0.1 peak 818 volume 55.62876 ppm1 3.878 ppm2 4.839 ! ############### C13_CNnoesy_manual.819 folded + assi (attr store1 < 4.21 and attr store1 > 4.11 ) ((attr store1 < 3.908 and attr store1 > 3.848 ) and (bondedto (attr store1 < 118.397722631 and attr store1 > 117.597722631 ) or bondedto (attr store1 < 70.655 and attr store1 > 69.855 ) or bondedto (attr store1 < 22.9122773688 and attr store1 > 22.1122773688 ))) 6 0.1 0.1 peak 819 volume 66.60471 ppm1 3.878 ppm2 4.160 ! ############### C13_CNnoesy_manual.820 folded + assi (attr store1 < 3.928 and attr store1 > 3.828 ) ((attr store1 < 3.908 and attr store1 > 3.848 ) and (bondedto (attr store1 < 118.396722631 and attr store1 > 117.596722631 ) or bondedto (attr store1 < 70.654 and attr store1 > 69.854 ) or bondedto (attr store1 < 22.9112773688 and attr store1 > 22.1112773688 ))) 6 0.1 0.1 peak 820 volume 835.72449 ppm1 3.878 ppm2 3.878 ! ############### C13_CNnoesy_manual.821 folded + assi (attr store1 < 3.761 and attr store1 > 3.661 ) ((attr store1 < 3.91 and attr store1 > 3.85 ) and (bondedto (attr store1 < 118.414722631 and attr store1 > 117.614722631 ) or bondedto (attr store1 < 70.672 and attr store1 > 69.872 ) or bondedto (attr store1 < 22.9292773688 and attr store1 > 22.1292773688 ))) 6 0.1 0.1 peak 821 volume 9.64878 ppm1 3.880 ppm2 3.711 ! ############### C13_CNnoesy_manual.822 folded + assi (attr store1 < 0.915 and attr store1 > 0.815 ) ((attr store1 < 3.909 and attr store1 > 3.849 ) and (bondedto (attr store1 < 118.412722631 and attr store1 > 117.612722631 ) or bondedto (attr store1 < 70.67 and attr store1 > 69.87 ) or bondedto (attr store1 < 22.9272773688 and attr store1 > 22.1272773688 ))) 6 0.1 0.1 peak 822 volume 84.08301 ppm1 3.879 ppm2 0.865 ! ############### C13_CNnoesy_manual.823 folded + assi (attr store1 < 8.765 and attr store1 > 8.665 ) ((attr store1 < 1.272 and attr store1 > 1.212 ) and (bondedto (attr store1 < 118.437722631 and attr store1 > 117.637722631 ) or bondedto (attr store1 < 70.695 and attr store1 > 69.895 ) or bondedto (attr store1 < 22.9522773688 and attr store1 > 22.1522773688 ))) 6 0.1 0.1 peak 823 volume 10.88170 ppm1 1.242 ppm2 8.715 ! ############### C13_CNnoesy_manual.824 folded + assi (attr store1 < 7.853 and attr store1 > 7.753 ) ((attr store1 < 1.269 and attr store1 > 1.209 ) and (bondedto (attr store1 < 118.440722631 and attr store1 > 117.640722631 ) or bondedto (attr store1 < 70.698 and attr store1 > 69.898 ) or bondedto (attr store1 < 22.9552773688 and attr store1 > 22.1552773688 ))) 6 0.1 0.1 peak 824 volume 5.97508 ppm1 1.239 ppm2 7.803 ! ############### C13_CNnoesy_manual.825 folded + assi (attr store1 < 3.932 and attr store1 > 3.832 ) ((attr store1 < 0.895 and attr store1 > 0.835 ) and (bondedto (attr store1 < 118.455722631 and attr store1 > 117.655722631 ) or bondedto (attr store1 < 70.713 and attr store1 > 69.913 ) or bondedto (attr store1 < 22.9702773688 and attr store1 > 22.1702773688 ))) 6 0.1 0.1 peak 825 volume 70.14655 ppm1 0.865 ppm2 3.882 ! ############### C13_CNnoesy_manual.826 folded + assi (attr store1 < 1.036 and attr store1 > 0.936 ) ((attr store1 < 1.349 and attr store1 > 1.289 ) and (bondedto (attr store1 < 118.381722631 and attr store1 > 117.581722631 ) or bondedto (attr store1 < 70.639 and attr store1 > 69.839 ) or bondedto (attr store1 < 22.8962773688 and attr store1 > 22.0962773688 ))) 6 0.1 0.1 peak 826 volume 9.58206 ppm1 1.319 ppm2 0.986 ! ############### C13_CNnoesy_manual.827 folded + assi (attr store1 < 7.361 and attr store1 > 7.261 ) ((attr store1 < 1.272 and attr store1 > 1.212 ) and (bondedto (attr store1 < 118.390722631 and attr store1 > 117.590722631 ) or bondedto (attr store1 < 70.648 and attr store1 > 69.848 ) or bondedto (attr store1 < 22.9052773688 and attr store1 > 22.1052773688 ))) 6 0.1 0.1 peak 827 volume 21.65304 ppm1 1.242 ppm2 7.311 ! ############### C13_CNnoesy_manual.828 folded + assi (attr store1 < 7.173 and attr store1 > 7.073 ) ((attr store1 < 1.273 and attr store1 > 1.213 ) and (bondedto (attr store1 < 118.385722631 and attr store1 > 117.585722631 ) or bondedto (attr store1 < 70.643 and attr store1 > 69.843 ) or bondedto (attr store1 < 22.9002773688 and attr store1 > 22.1002773688 ))) 6 0.1 0.1 peak 828 volume 107.36692 ppm1 1.243 ppm2 7.123 ! ############### C13_CNnoesy_manual.829 folded + assi (attr store1 < 4.354 and attr store1 > 4.254 ) ((attr store1 < 1.273 and attr store1 > 1.213 ) and (bondedto (attr store1 < 118.365722631 and attr store1 > 117.565722631 ) or bondedto (attr store1 < 70.623 and attr store1 > 69.823 ) or bondedto (attr store1 < 22.8802773688 and attr store1 > 22.0802773688 ))) 6 0.1 0.1 peak 829 volume 53.58554 ppm1 1.243 ppm2 4.304 ! ############### C13_CNnoesy_manual.830 folded + assi (attr store1 < 4.044 and attr store1 > 3.944 ) ((attr store1 < 1.272 and attr store1 > 1.212 ) and (bondedto (attr store1 < 118.361722631 and attr store1 > 117.561722631 ) or bondedto (attr store1 < 70.619 and attr store1 > 69.819 ) or bondedto (attr store1 < 22.8762773688 and attr store1 > 22.0762773688 ))) 6 0.1 0.1 peak 830 volume 7.42532 ppm1 1.242 ppm2 3.994 ! ############### C13_CNnoesy_manual.831 folded + assi (attr store1 < 3.781 and attr store1 > 3.681 ) ((attr store1 < 1.273 and attr store1 > 1.213 ) and (bondedto (attr store1 < 118.382722631 and attr store1 > 117.582722631 ) or bondedto (attr store1 < 70.64 and attr store1 > 69.84 ) or bondedto (attr store1 < 22.8972773688 and attr store1 > 22.0972773688 ))) 6 0.1 0.1 peak 831 volume 125.94015 ppm1 1.243 ppm2 3.731 ! ############### C13_CNnoesy_manual.832 folded + assi (attr store1 < 2.319 and attr store1 > 2.219 ) ((attr store1 < 1.273 and attr store1 > 1.213 ) and (bondedto (attr store1 < 118.381722631 and attr store1 > 117.581722631 ) or bondedto (attr store1 < 70.639 and attr store1 > 69.839 ) or bondedto (attr store1 < 22.8962773688 and attr store1 > 22.0962773688 ))) 6 0.1 0.1 peak 832 volume 169.53529 ppm1 1.243 ppm2 2.269 ! ############### C13_CNnoesy_manual.833 folded + assi (attr store1 < 2.038 and attr store1 > 1.938 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 118.357722631 and attr store1 > 117.557722631 ) or bondedto (attr store1 < 70.615 and attr store1 > 69.815 ) or bondedto (attr store1 < 22.8722773688 and attr store1 > 22.0722773688 ))) 6 0.1 0.1 peak 833 volume 19.75310 ppm1 1.241 ppm2 1.988 ! ############### C13_CNnoesy_manual.834 folded + assi (attr store1 < 1.832 and attr store1 > 1.732 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 118.371722631 and attr store1 > 117.571722631 ) or bondedto (attr store1 < 70.629 and attr store1 > 69.829 ) or bondedto (attr store1 < 22.8862773688 and attr store1 > 22.0862773688 ))) 6 0.1 0.1 peak 834 volume 30.55139 ppm1 1.241 ppm2 1.782 ! ############### C13_CNnoesy_manual.835 folded + assi (attr store1 < 1.664 and attr store1 > 1.564 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 118.348722631 and attr store1 > 117.548722631 ) or bondedto (attr store1 < 70.606 and attr store1 > 69.806 ) or bondedto (attr store1 < 22.8632773688 and attr store1 > 22.0632773688 ))) 6 0.1 0.1 peak 835 volume 20.81217 ppm1 1.241 ppm2 1.614 ! ############### C13_CNnoesy_manual.836 folded + assi (attr store1 < 1.565 and attr store1 > 1.465 ) ((attr store1 < 1.268 and attr store1 > 1.208 ) and (bondedto (attr store1 < 118.355722631 and attr store1 > 117.555722631 ) or bondedto (attr store1 < 70.613 and attr store1 > 69.813 ) or bondedto (attr store1 < 22.8702773688 and attr store1 > 22.0702773688 ))) 6 0.1 0.1 peak 836 volume 25.47045 ppm1 1.238 ppm2 1.515 ! ############### C13_CNnoesy_manual.837 folded + assi (attr store1 < 1.458 and attr store1 > 1.358 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 118.375722631 and attr store1 > 117.575722631 ) or bondedto (attr store1 < 70.633 and attr store1 > 69.833 ) or bondedto (attr store1 < 22.8902773688 and attr store1 > 22.0902773688 ))) 6 0.1 0.1 peak 837 volume 74.50362 ppm1 1.241 ppm2 1.408 ! ############### C13_CNnoesy_manual.838 folded + assi (attr store1 < 1.293 and attr store1 > 1.193 ) ((attr store1 < 1.273 and attr store1 > 1.213 ) and (bondedto (attr store1 < 118.389722631 and attr store1 > 117.589722631 ) or bondedto (attr store1 < 70.647 and attr store1 > 69.847 ) or bondedto (attr store1 < 22.9042773688 and attr store1 > 22.1042773688 ))) 6 0.1 0.1 peak 838 volume 4754.94531 ppm1 1.243 ppm2 1.243 ! ############### C13_CNnoesy_manual.839 folded + assi (attr store1 < 1.105 and attr store1 > 1.005 ) ((attr store1 < 1.272 and attr store1 > 1.212 ) and (bondedto (attr store1 < 118.382722631 and attr store1 > 117.582722631 ) or bondedto (attr store1 < 70.64 and attr store1 > 69.84 ) or bondedto (attr store1 < 22.8972773688 and attr store1 > 22.0972773688 ))) 6 0.1 0.1 peak 839 volume 326.20392 ppm1 1.242 ppm2 1.055 ! ############### C13_CNnoesy_manual.840 folded + assi (attr store1 < 8.364 and attr store1 > 8.264 ) ((attr store1 < 1.164 and attr store1 > 1.104 ) and (bondedto (attr store1 < 118.227722631 and attr store1 > 117.427722631 ) or bondedto (attr store1 < 70.485 and attr store1 > 69.685 ) or bondedto (attr store1 < 22.7422773688 and attr store1 > 21.9422773688 ))) 6 0.1 0.1 peak 840 volume 42.71856 ppm1 1.134 ppm2 8.314 ! ############### C13_CNnoesy_manual.841 folded + assi (attr store1 < 7.851 and attr store1 > 7.751 ) ((attr store1 < 1.163 and attr store1 > 1.103 ) and (bondedto (attr store1 < 118.246722631 and attr store1 > 117.446722631 ) or bondedto (attr store1 < 70.504 and attr store1 > 69.704 ) or bondedto (attr store1 < 22.7612773688 and attr store1 > 21.9612773688 ))) 6 0.1 0.1 peak 841 volume 12.10717 ppm1 1.133 ppm2 7.801 ! ############### C13_CNnoesy_manual.842 folded + assi (attr store1 < 4.035 and attr store1 > 3.935 ) ((attr store1 < 1.164 and attr store1 > 1.104 ) and (bondedto (attr store1 < 118.212722631 and attr store1 > 117.412722631 ) or bondedto (attr store1 < 70.47 and attr store1 > 69.67 ) or bondedto (attr store1 < 22.7272773688 and attr store1 > 21.9272773688 ))) 6 0.1 0.1 peak 842 volume 84.58778 ppm1 1.134 ppm2 3.985 ! ############### C13_CNnoesy_manual.843 folded + assi (attr store1 < 2.348 and attr store1 > 2.248 ) ((attr store1 < 1.163 and attr store1 > 1.103 ) and (bondedto (attr store1 < 118.207722631 and attr store1 > 117.407722631 ) or bondedto (attr store1 < 70.465 and attr store1 > 69.665 ) or bondedto (attr store1 < 22.7222773688 and attr store1 > 21.9222773688 ))) 6 0.1 0.1 peak 843 volume 106.04691 ppm1 1.133 ppm2 2.298 ! ############### C13_CNnoesy_manual.844 folded + assi (attr store1 < 1.346 and attr store1 > 1.246 ) ((attr store1 < 1.163 and attr store1 > 1.103 ) and (bondedto (attr store1 < 118.253722631 and attr store1 > 117.453722631 ) or bondedto (attr store1 < 70.511 and attr store1 > 69.711 ) or bondedto (attr store1 < 22.7682773688 and attr store1 > 21.9682773688 ))) 6 0.1 0.1 peak 844 volume 89.44647 ppm1 1.133 ppm2 1.296 ! ############### C13_CNnoesy_manual.845 folded + assi (attr store1 < 1.183 and attr store1 > 1.083 ) ((attr store1 < 1.164 and attr store1 > 1.104 ) and (bondedto (attr store1 < 118.220722631 and attr store1 > 117.420722631 ) or bondedto (attr store1 < 70.478 and attr store1 > 69.678 ) or bondedto (attr store1 < 22.7352773688 and attr store1 > 21.9352773688 ))) 6 0.1 0.1 peak 845 volume 4544.28125 ppm1 1.134 ppm2 1.133 ! ############### C13_CNnoesy_manual.846 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 1.16 and attr store1 > 1.1 ) and (bondedto (attr store1 < 118.225722631 and attr store1 > 117.425722631 ) or bondedto (attr store1 < 70.483 and attr store1 > 69.683 ) or bondedto (attr store1 < 22.7402773688 and attr store1 > 21.9402773688 ))) 6 0.1 0.1 peak 846 volume 28.17389 ppm1 1.130 ppm2 4.838 ! ############### C13_CNnoesy_manual.847 folded + assi (attr store1 < 0.818 and attr store1 > 0.718 ) ((attr store1 < 1.158 and attr store1 > 1.098 ) and (bondedto (attr store1 < 118.237722631 and attr store1 > 117.437722631 ) or bondedto (attr store1 < 70.495 and attr store1 > 69.695 ) or bondedto (attr store1 < 22.7522773688 and attr store1 > 21.9522773688 ))) 6 0.1 0.1 peak 847 volume 9.21159 ppm1 1.128 ppm2 0.768 ! ############### C13_CNnoesy_manual.848 folded - assi (attr store1 < 1.083 and attr store1 > 0.983 ) ((attr store1 < 1.076 and attr store1 > 1.016 ) and (bondedto (attr store1 < 142.159083947 and attr store1 > 141.359083947 ) or bondedto (attr store1 < 46.6736386844 and attr store1 > 45.8736386844 ))) 6 0.1 0.1 peak 848 volume 214.49812 ppm1 1.046 ppm2 1.033 ! ############### C13_CNnoesy_manual.849 folded - assi (attr store1 < 1.054 and attr store1 > 0.954 ) ((attr store1 < 1.036 and attr store1 > 0.976 ) and (bondedto (attr store1 < 142.092083947 and attr store1 > 141.292083947 ) or bondedto (attr store1 < 46.6066386844 and attr store1 > 45.8066386844 ))) 6 0.1 0.1 peak 849 volume 230.36963 ppm1 1.006 ppm2 1.004 ! ############### C13_CNnoesy_manual.850 folded + assi (attr store1 < 1.513 and attr store1 > 1.413 ) ((attr store1 < 1.503 and attr store1 > 1.443 ) and (bondedto (attr store1 < 118.114722631 and attr store1 > 117.314722631 ) or bondedto (attr store1 < 70.372 and attr store1 > 69.572 ) or bondedto (attr store1 < 22.6292773688 and attr store1 > 21.8292773688 ))) 6 0.1 0.1 peak 850 volume 60.35529 ppm1 1.473 ppm2 1.463 ! ############### C13_CNnoesy_manual.851 folded + assi (attr store1 < 4.416 and attr store1 > 4.316 ) ((attr store1 < 1.166 and attr store1 > 1.106 ) and (bondedto (attr store1 < 118.175722631 and attr store1 > 117.375722631 ) or bondedto (attr store1 < 70.433 and attr store1 > 69.633 ) or bondedto (attr store1 < 22.6902773688 and attr store1 > 21.8902773688 ))) 6 0.1 0.1 peak 851 volume 6.71162 ppm1 1.136 ppm2 4.366 ! ############### C13_CNnoesy_manual.852 folded + assi (attr store1 < 4.208 and attr store1 > 4.108 ) ((attr store1 < 1.164 and attr store1 > 1.104 ) and (bondedto (attr store1 < 118.203722631 and attr store1 > 117.403722631 ) or bondedto (attr store1 < 70.461 and attr store1 > 69.661 ) or bondedto (attr store1 < 22.7182773688 and attr store1 > 21.9182773688 ))) 6 0.1 0.1 peak 852 volume 48.09390 ppm1 1.134 ppm2 4.158 ! ############### C13_CNnoesy_manual.853 folded + assi (attr store1 < 3.864 and attr store1 > 3.764 ) ((attr store1 < 1.166 and attr store1 > 1.106 ) and (bondedto (attr store1 < 118.150722631 and attr store1 > 117.350722631 ) or bondedto (attr store1 < 70.408 and attr store1 > 69.608 ) or bondedto (attr store1 < 22.6652773688 and attr store1 > 21.8652773688 ))) 6 0.1 0.1 peak 853 volume 6.03948 ppm1 1.136 ppm2 3.814 ! ############### C13_CNnoesy_manual.854 folded + assi (attr store1 < 3.089 and attr store1 > 2.989 ) ((attr store1 < 1.168 and attr store1 > 1.108 ) and (bondedto (attr store1 < 118.164722631 and attr store1 > 117.364722631 ) or bondedto (attr store1 < 70.422 and attr store1 > 69.622 ) or bondedto (attr store1 < 22.6792773688 and attr store1 > 21.8792773688 ))) 6 0.1 0.1 peak 854 volume 12.48027 ppm1 1.138 ppm2 3.039 ! ############### C13_CNnoesy_manual.855 folded + assi (attr store1 < 2.661 and attr store1 > 2.561 ) ((attr store1 < 1.167 and attr store1 > 1.107 ) and (bondedto (attr store1 < 118.166722631 and attr store1 > 117.366722631 ) or bondedto (attr store1 < 70.424 and attr store1 > 69.624 ) or bondedto (attr store1 < 22.6812773688 and attr store1 > 21.8812773688 ))) 6 0.1 0.1 peak 855 volume 14.45540 ppm1 1.137 ppm2 2.611 ! ############### C13_CNnoesy_manual.856 folded + assi (attr store1 < 2.036 and attr store1 > 1.936 ) ((attr store1 < 1.168 and attr store1 > 1.108 ) and (bondedto (attr store1 < 118.147722631 and attr store1 > 117.347722631 ) or bondedto (attr store1 < 70.405 and attr store1 > 69.605 ) or bondedto (attr store1 < 22.6622773688 and attr store1 > 21.8622773688 ))) 6 0.1 0.1 peak 856 volume 7.50861 ppm1 1.138 ppm2 1.986 ! ############### C13_CNnoesy_manual.857 folded + assi (attr store1 < 1.758 and attr store1 > 1.658 ) ((attr store1 < 1.165 and attr store1 > 1.105 ) and (bondedto (attr store1 < 118.157722631 and attr store1 > 117.357722631 ) or bondedto (attr store1 < 70.415 and attr store1 > 69.615 ) or bondedto (attr store1 < 22.6722773688 and attr store1 > 21.8722773688 ))) 6 0.1 0.1 peak 857 volume 18.45456 ppm1 1.135 ppm2 1.708 ! ############### C13_CNnoesy_manual.858 folded + assi (attr store1 < 1.656 and attr store1 > 1.556 ) ((attr store1 < 1.164 and attr store1 > 1.104 ) and (bondedto (attr store1 < 118.164722631 and attr store1 > 117.364722631 ) or bondedto (attr store1 < 70.422 and attr store1 > 69.622 ) or bondedto (attr store1 < 22.6792773688 and attr store1 > 21.8792773688 ))) 6 0.1 0.1 peak 858 volume 18.41683 ppm1 1.134 ppm2 1.606 ! ############### C13_CNnoesy_manual.859 folded + assi (attr store1 < 1.575 and attr store1 > 1.475 ) ((attr store1 < 1.164 and attr store1 > 1.104 ) and (bondedto (attr store1 < 118.173722631 and attr store1 > 117.373722631 ) or bondedto (attr store1 < 70.431 and attr store1 > 69.631 ) or bondedto (attr store1 < 22.6882773688 and attr store1 > 21.8882773688 ))) 6 0.1 0.1 peak 859 volume 16.94568 ppm1 1.134 ppm2 1.525 ! ############### C13_CNnoesy_manual.860 folded + assi (attr store1 < 1.448 and attr store1 > 1.348 ) ((attr store1 < 1.163 and attr store1 > 1.103 ) and (bondedto (attr store1 < 118.177722631 and attr store1 > 117.377722631 ) or bondedto (attr store1 < 70.435 and attr store1 > 69.635 ) or bondedto (attr store1 < 22.6922773688 and attr store1 > 21.8922773688 ))) 6 0.1 0.1 peak 860 volume 29.50492 ppm1 1.133 ppm2 1.398 ! ############### C13_CNnoesy_manual.861 folded + assi (attr store1 < 0.912 and attr store1 > 0.812 ) ((attr store1 < 1.163 and attr store1 > 1.103 ) and (bondedto (attr store1 < 118.174722631 and attr store1 > 117.374722631 ) or bondedto (attr store1 < 70.432 and attr store1 > 69.632 ) or bondedto (attr store1 < 22.6892773688 and attr store1 > 21.8892773688 ))) 6 0.1 0.1 peak 861 volume 23.07947 ppm1 1.133 ppm2 0.862 ! ############### C13_CNnoesy_manual.862 folded + assi (attr store1 < 8.228 and attr store1 > 8.128 ) ((attr store1 < 8.206 and attr store1 > 8.146 ) and (bondedto (attr store1 < 118.075722631 and attr store1 > 117.275722631 ) or bondedto (attr store1 < 70.333 and attr store1 > 69.533 ) or bondedto (attr store1 < 22.5902773688 and attr store1 > 21.7902773688 ))) 6 0.1 0.1 peak 862 volume 9.70032 ppm1 8.176 ppm2 8.178 ! ############### C13_CNnoesy_manual.863 folded + assi (attr store1 < 4.339 and attr store1 > 4.239 ) ((attr store1 < 4.321 and attr store1 > 4.261 ) and (bondedto (attr store1 < 118.041722631 and attr store1 > 117.241722631 ) or bondedto (attr store1 < 70.299 and attr store1 > 69.499 ) or bondedto (attr store1 < 22.5562773688 and attr store1 > 21.7562773688 ))) 6 0.1 0.1 peak 863 volume 184.99338 ppm1 4.291 ppm2 4.289 ! ############### C13_CNnoesy_manual.864 folded + assi (attr store1 < 4.299 and attr store1 > 4.199 ) ((attr store1 < 4.278 and attr store1 > 4.218 ) and (bondedto (attr store1 < 118.081722631 and attr store1 > 117.281722631 ) or bondedto (attr store1 < 70.339 and attr store1 > 69.539 ) or bondedto (attr store1 < 22.5962773688 and attr store1 > 21.7962773688 ))) 6 0.1 0.1 peak 864 volume 185.47496 ppm1 4.248 ppm2 4.249 ! ############### C13_CNnoesy_manual.865 folded + assi (attr store1 < 3.124 and attr store1 > 3.024 ) ((attr store1 < 3.103 and attr store1 > 3.043 ) and (bondedto (attr store1 < 118.072722631 and attr store1 > 117.272722631 ) or bondedto (attr store1 < 70.33 and attr store1 > 69.53 ) or bondedto (attr store1 < 22.5872773688 and attr store1 > 21.7872773688 ))) 6 0.1 0.1 peak 865 volume 65.60118 ppm1 3.073 ppm2 3.074 ! ############### C13_CNnoesy_manual.866 folded + assi (attr store1 < 3.091 and attr store1 > 2.991 ) ((attr store1 < 3.063 and attr store1 > 3.003 ) and (bondedto (attr store1 < 118.030722631 and attr store1 > 117.230722631 ) or bondedto (attr store1 < 70.288 and attr store1 > 69.488 ) or bondedto (attr store1 < 22.5452773688 and attr store1 > 21.7452773688 ))) 6 0.1 0.1 peak 866 volume 30.08564 ppm1 3.033 ppm2 3.041 ! ############### C13_CNnoesy_manual.867 folded + assi (attr store1 < 3.012 and attr store1 > 2.912 ) ((attr store1 < 3.003 and attr store1 > 2.943 ) and (bondedto (attr store1 < 118.060722631 and attr store1 > 117.260722631 ) or bondedto (attr store1 < 70.318 and attr store1 > 69.518 ) or bondedto (attr store1 < 22.5752773688 and attr store1 > 21.7752773688 ))) 6 0.1 0.1 peak 867 volume 6.26697 ppm1 2.973 ppm2 2.962 ! ############### C13_CNnoesy_manual.868 folded + assi (attr store1 < 1.812 and attr store1 > 1.712 ) ((attr store1 < 1.792 and attr store1 > 1.732 ) and (bondedto (attr store1 < 118.056722631 and attr store1 > 117.256722631 ) or bondedto (attr store1 < 70.314 and attr store1 > 69.514 ) or bondedto (attr store1 < 22.5712773688 and attr store1 > 21.7712773688 ))) 6 0.1 0.1 peak 868 volume 77.00488 ppm1 1.762 ppm2 1.762 ! ############### C13_CNnoesy_manual.869 folded - assi (attr store1 < 3.207 and attr store1 > 3.107 ) ((attr store1 < 4.133 and attr store1 > 4.073 ) and (bondedto (attr store1 < 141.902083947 and attr store1 > 141.102083947 ) or bondedto (attr store1 < 46.4166386844 and attr store1 > 45.6166386844 ))) 6 0.1 0.1 peak 869 volume 6.24219 ppm1 4.103 ppm2 3.157 ! ############### C13_CNnoesy_manual.870 folded - assi (attr store1 < 3.328 and attr store1 > 3.228 ) ((attr store1 < 3.308 and attr store1 > 3.248 ) and (bondedto (attr store1 < 141.948083947 and attr store1 > 141.148083947 ) or bondedto (attr store1 < 46.4626386844 and attr store1 > 45.6626386844 ))) 6 0.1 0.1 peak 870 volume 35.83109 ppm1 3.278 ppm2 3.278 ! ############### C13_CNnoesy_manual.871 folded - assi (attr store1 < 2.434 and attr store1 > 2.334 ) ((attr store1 < 2.421 and attr store1 > 2.361 ) and (bondedto (attr store1 < 141.896083947 and attr store1 > 141.096083947 ) or bondedto (attr store1 < 46.4106386844 and attr store1 > 45.6106386844 ))) 6 0.1 0.1 peak 871 volume 6.10146 ppm1 2.391 ppm2 2.384 ! ############### C13_CNnoesy_manual.872 folded - assi (attr store1 < 2.392 and attr store1 > 2.292 ) ((attr store1 < 2.374 and attr store1 > 2.314 ) and (bondedto (attr store1 < 141.897083947 and attr store1 > 141.097083947 ) or bondedto (attr store1 < 46.4116386844 and attr store1 > 45.6116386844 ))) 6 0.1 0.1 peak 872 volume 6.64805 ppm1 2.344 ppm2 2.342 ! ############### C13_CNnoesy_manual.873 folded - assi (attr store1 < 2.248 and attr store1 > 2.148 ) ((attr store1 < 2.211 and attr store1 > 2.151 ) and (bondedto (attr store1 < 141.982083947 and attr store1 > 141.182083947 ) or bondedto (attr store1 < 46.4966386844 and attr store1 > 45.6966386844 ))) 6 0.1 0.1 peak 873 volume 17.16414 ppm1 2.181 ppm2 2.198 ! ############### C13_CNnoesy_manual.874 folded - assi (attr store1 < 2.157 and attr store1 > 2.057 ) ((attr store1 < 2.144 and attr store1 > 2.084 ) and (bondedto (attr store1 < 141.979083947 and attr store1 > 141.179083947 ) or bondedto (attr store1 < 46.4936386844 and attr store1 > 45.6936386844 ))) 6 0.1 0.1 peak 874 volume 7.40925 ppm1 2.114 ppm2 2.107 ! ############### C13_CNnoesy_manual.875 folded - assi (attr store1 < 1.713 and attr store1 > 1.613 ) ((attr store1 < 1.7 and attr store1 > 1.64 ) and (bondedto (attr store1 < 141.909083947 and attr store1 > 141.109083947 ) or bondedto (attr store1 < 46.4236386844 and attr store1 > 45.6236386844 ))) 6 0.1 0.1 peak 875 volume 31.21439 ppm1 1.670 ppm2 1.663 ! ############### C13_CNnoesy_manual.876 folded - assi (attr store1 < 0.801 and attr store1 > 0.701 ) ((attr store1 < 0.783 and attr store1 > 0.723 ) and (bondedto (attr store1 < 141.932083947 and attr store1 > 141.132083947 ) or bondedto (attr store1 < 46.4466386844 and attr store1 > 45.6466386844 ))) 6 0.1 0.1 peak 876 volume 110.02758 ppm1 0.753 ppm2 0.751 ! ############### C13_CNnoesy_manual.877 folded + assi (attr store1 < 7.154 and attr store1 > 7.054 ) ((attr store1 < 7.128 and attr store1 > 7.068 ) and (bondedto (attr store1 < 117.971722631 and attr store1 > 117.171722631 ) or bondedto (attr store1 < 70.229 and attr store1 > 69.429 ) or bondedto (attr store1 < 22.4862773688 and attr store1 > 21.6862773688 ))) 6 0.1 0.1 peak 877 volume 20.30068 ppm1 7.098 ppm2 7.104 ! ############### C13_CNnoesy_manual.878 folded + assi (attr store1 < 4.351 and attr store1 > 4.251 ) ((attr store1 < 1.321 and attr store1 > 1.261 ) and (bondedto (attr store1 < 117.929722631 and attr store1 > 117.129722631 ) or bondedto (attr store1 < 70.187 and attr store1 > 69.387 ) or bondedto (attr store1 < 22.4442773688 and attr store1 > 21.6442773688 ))) 6 0.1 0.1 peak 878 volume 15.75189 ppm1 1.291 ppm2 4.301 ! ############### C13_CNnoesy_manual.879 folded + assi (attr store1 < 9.629 and attr store1 > 9.529 ) ((attr store1 < 0.919 and attr store1 > 0.859 ) and (bondedto (attr store1 < 117.958722631 and attr store1 > 117.158722631 ) or bondedto (attr store1 < 70.216 and attr store1 > 69.416 ) or bondedto (attr store1 < 22.4732773688 and attr store1 > 21.6732773688 ))) 6 0.1 0.1 peak 879 volume 12.68597 ppm1 0.889 ppm2 9.579 ! ############### C13_CNnoesy_manual.880 folded + assi (attr store1 < 8.204 and attr store1 > 8.104 ) ((attr store1 < 0.919 and attr store1 > 0.859 ) and (bondedto (attr store1 < 117.926722631 and attr store1 > 117.126722631 ) or bondedto (attr store1 < 70.184 and attr store1 > 69.384 ) or bondedto (attr store1 < 22.4412773688 and attr store1 > 21.6412773688 ))) 6 0.1 0.1 peak 880 volume 19.42936 ppm1 0.889 ppm2 8.154 ! ############### C13_CNnoesy_manual.881 folded + assi (attr store1 < 7.679 and attr store1 > 7.579 ) ((attr store1 < 0.919 and attr store1 > 0.859 ) and (bondedto (attr store1 < 117.930722631 and attr store1 > 117.130722631 ) or bondedto (attr store1 < 70.188 and attr store1 > 69.388 ) or bondedto (attr store1 < 22.4452773688 and attr store1 > 21.6452773688 ))) 6 0.1 0.1 peak 881 volume 34.15829 ppm1 0.889 ppm2 7.629 ! ############### C13_CNnoesy_manual.882 folded + assi (attr store1 < 7.386 and attr store1 > 7.286 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.947722631 and attr store1 > 117.147722631 ) or bondedto (attr store1 < 70.205 and attr store1 > 69.405 ) or bondedto (attr store1 < 22.4622773688 and attr store1 > 21.6622773688 ))) 6 0.1 0.1 peak 882 volume 7.55074 ppm1 0.888 ppm2 7.336 ! ############### C13_CNnoesy_manual.883 folded + assi (attr store1 < 4.236 and attr store1 > 4.136 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.929722631 and attr store1 > 117.129722631 ) or bondedto (attr store1 < 70.187 and attr store1 > 69.387 ) or bondedto (attr store1 < 22.4442773688 and attr store1 > 21.6442773688 ))) 6 0.1 0.1 peak 883 volume 51.81711 ppm1 0.888 ppm2 4.186 ! ############### C13_CNnoesy_manual.884 folded + assi (attr store1 < 1.431 and attr store1 > 1.331 ) ((attr store1 < 0.917 and attr store1 > 0.857 ) and (bondedto (attr store1 < 117.933722631 and attr store1 > 117.133722631 ) or bondedto (attr store1 < 70.191 and attr store1 > 69.391 ) or bondedto (attr store1 < 22.4482773688 and attr store1 > 21.6482773688 ))) 6 0.1 0.1 peak 884 volume 87.22990 ppm1 0.887 ppm2 1.381 ! ############### C13_CNnoesy_manual.885 folded + assi (attr store1 < 1.109 and attr store1 > 1.009 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.937722631 and attr store1 > 117.137722631 ) or bondedto (attr store1 < 70.195 and attr store1 > 69.395 ) or bondedto (attr store1 < 22.4522773688 and attr store1 > 21.6522773688 ))) 6 0.1 0.1 peak 885 volume 71.98665 ppm1 0.888 ppm2 1.059 ! ############### C13_CNnoesy_manual.886 folded + assi (attr store1 < 0.938 and attr store1 > 0.838 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.927722631 and attr store1 > 117.127722631 ) or bondedto (attr store1 < 70.185 and attr store1 > 69.385 ) or bondedto (attr store1 < 22.4422773688 and attr store1 > 21.6422773688 ))) 6 0.1 0.1 peak 886 volume 3025.15527 ppm1 0.888 ppm2 0.888 ! ############### C13_CNnoesy_manual.887 folded + assi (attr store1 < 0.777 and attr store1 > 0.677 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.924722631 and attr store1 > 117.124722631 ) or bondedto (attr store1 < 70.182 and attr store1 > 69.382 ) or bondedto (attr store1 < 22.4392773688 and attr store1 > 21.6392773688 ))) 6 0.1 0.1 peak 887 volume 94.51231 ppm1 0.888 ppm2 0.727 ! ############### C13_CNnoesy_manual.888 folded + assi (attr store1 < 0.672 and attr store1 > 0.572 ) ((attr store1 < 0.914 and attr store1 > 0.854 ) and (bondedto (attr store1 < 117.937722631 and attr store1 > 117.137722631 ) or bondedto (attr store1 < 70.195 and attr store1 > 69.395 ) or bondedto (attr store1 < 22.4522773688 and attr store1 > 21.6522773688 ))) 6 0.1 0.1 peak 888 volume 19.26196 ppm1 0.884 ppm2 0.622 ! ############### C13_CNnoesy_manual.889 folded - assi (attr store1 < 4.598 and attr store1 > 4.498 ) ((attr store1 < 4.134 and attr store1 > 4.074 ) and (bondedto (attr store1 < 141.828083947 and attr store1 > 141.028083947 ) or bondedto (attr store1 < 46.3426386844 and attr store1 > 45.5426386844 ))) 6 0.1 0.1 peak 889 volume 7.01334 ppm1 4.104 ppm2 4.548 ! ############### C13_CNnoesy_manual.890 folded - assi (attr store1 < 8.28 and attr store1 > 8.18 ) ((attr store1 < 4.128 and attr store1 > 4.068 ) and (bondedto (attr store1 < 141.878083947 and attr store1 > 141.078083947 ) or bondedto (attr store1 < 46.3926386844 and attr store1 > 45.5926386844 ))) 6 0.1 0.1 peak 890 volume 11.66348 ppm1 4.098 ppm2 8.230 ! ############### C13_CNnoesy_manual.891 folded - assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 4.128 and attr store1 > 4.068 ) and (bondedto (attr store1 < 141.887083947 and attr store1 > 141.087083947 ) or bondedto (attr store1 < 46.4016386844 and attr store1 > 45.6016386844 ))) 6 0.1 0.1 peak 891 volume 55.26963 ppm1 4.098 ppm2 4.837 ! ############### C13_CNnoesy_manual.892 folded - assi (attr store1 < 4.149 and attr store1 > 4.049 ) ((attr store1 < 4.129 and attr store1 > 4.069 ) and (bondedto (attr store1 < 141.886083947 and attr store1 > 141.086083947 ) or bondedto (attr store1 < 46.4006386844 and attr store1 > 45.6006386844 ))) 6 0.1 0.1 peak 892 volume 1138.01392 ppm1 4.099 ppm2 4.099 ! ############### C13_CNnoesy_manual.893 folded - assi (attr store1 < 1.08 and attr store1 > 0.98 ) ((attr store1 < 4.125 and attr store1 > 4.065 ) and (bondedto (attr store1 < 141.863083947 and attr store1 > 141.063083947 ) or bondedto (attr store1 < 46.3776386844 and attr store1 > 45.5776386844 ))) 6 0.1 0.1 peak 893 volume 8.59727 ppm1 4.095 ppm2 1.030 ! ############### C13_CNnoesy_manual.894 folded - assi (attr store1 < 3.404 and attr store1 > 3.304 ) ((attr store1 < 3.391 and attr store1 > 3.331 ) and (bondedto (attr store1 < 141.878083947 and attr store1 > 141.078083947 ) or bondedto (attr store1 < 46.3926386844 and attr store1 > 45.5926386844 ))) 6 0.1 0.1 peak 894 volume 15.78974 ppm1 3.361 ppm2 3.354 ! ############### C13_CNnoesy_manual.895 folded - assi (attr store1 < 3.2 and attr store1 > 3.1 ) ((attr store1 < 3.179 and attr store1 > 3.119 ) and (bondedto (attr store1 < 141.799083947 and attr store1 > 140.999083947 ) or bondedto (attr store1 < 46.3136386844 and attr store1 > 45.5136386844 ))) 6 0.1 0.1 peak 895 volume 7.24127 ppm1 3.149 ppm2 3.150 ! ############### C13_CNnoesy_manual.896 folded - assi (attr store1 < 1.431 and attr store1 > 1.331 ) ((attr store1 < 1.409 and attr store1 > 1.349 ) and (bondedto (attr store1 < 141.817083947 and attr store1 > 141.017083947 ) or bondedto (attr store1 < 46.3316386844 and attr store1 > 45.5316386844 ))) 6 0.1 0.1 peak 896 volume 74.58338 ppm1 1.379 ppm2 1.381 ! ############### C13_CNnoesy_manual.897 folded + assi (attr store1 < 7.511 and attr store1 > 7.411 ) ((attr store1 < 7.489 and attr store1 > 7.429 ) and (bondedto (attr store1 < 117.885722631 and attr store1 > 117.085722631 ) or bondedto (attr store1 < 70.143 and attr store1 > 69.343 ) or bondedto (attr store1 < 22.4002773688 and attr store1 > 21.6002773688 ))) 6 0.1 0.1 peak 897 volume 7.84313 ppm1 7.459 ppm2 7.461 ! ############### C13_CNnoesy_manual.898 folded + assi (attr store1 < 1.332 and attr store1 > 1.232 ) ((attr store1 < 4.326 and attr store1 > 4.266 ) and (bondedto (attr store1 < 117.865722631 and attr store1 > 117.065722631 ) or bondedto (attr store1 < 70.123 and attr store1 > 69.323 ) or bondedto (attr store1 < 22.3802773688 and attr store1 > 21.5802773688 ))) 6 0.1 0.1 peak 898 volume 12.55010 ppm1 4.296 ppm2 1.282 ! ############### C13_CNnoesy_manual.899 folded + assi (attr store1 < 2.943 and attr store1 > 2.843 ) ((attr store1 < 2.931 and attr store1 > 2.871 ) and (bondedto (attr store1 < 117.918722631 and attr store1 > 117.118722631 ) or bondedto (attr store1 < 70.176 and attr store1 > 69.376 ) or bondedto (attr store1 < 22.4332773688 and attr store1 > 21.6332773688 ))) 6 0.1 0.1 peak 899 volume 20.85646 ppm1 2.901 ppm2 2.893 ! ############### C13_CNnoesy_manual.900 folded + assi (attr store1 < 2.509 and attr store1 > 2.409 ) ((attr store1 < 2.489 and attr store1 > 2.429 ) and (bondedto (attr store1 < 117.853722631 and attr store1 > 117.053722631 ) or bondedto (attr store1 < 70.111 and attr store1 > 69.311 ) or bondedto (attr store1 < 22.3682773688 and attr store1 > 21.5682773688 ))) 6 0.1 0.1 peak 900 volume 50.44624 ppm1 2.459 ppm2 2.459 ! ############### C13_CNnoesy_manual.901 folded + assi (attr store1 < 9.301 and attr store1 > 9.201 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.915722631 and attr store1 > 117.115722631 ) or bondedto (attr store1 < 70.173 and attr store1 > 69.373 ) or bondedto (attr store1 < 22.4302773688 and attr store1 > 21.6302773688 ))) 6 0.1 0.1 peak 901 volume 22.89679 ppm1 0.888 ppm2 9.251 ! ############### C13_CNnoesy_manual.902 folded + assi (attr store1 < 7.851 and attr store1 > 7.751 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.913722631 and attr store1 > 117.113722631 ) or bondedto (attr store1 < 70.171 and attr store1 > 69.371 ) or bondedto (attr store1 < 22.4282773688 and attr store1 > 21.6282773688 ))) 6 0.1 0.1 peak 902 volume 9.64209 ppm1 0.888 ppm2 7.801 ! ############### C13_CNnoesy_manual.903 folded + assi (attr store1 < 4.872 and attr store1 > 4.772 ) ((attr store1 < 0.915 and attr store1 > 0.855 ) and (bondedto (attr store1 < 117.901722631 and attr store1 > 117.101722631 ) or bondedto (attr store1 < 70.159 and attr store1 > 69.359 ) or bondedto (attr store1 < 22.4162773688 and attr store1 > 21.6162773688 ))) 6 0.1 0.1 peak 903 volume 21.92843 ppm1 0.885 ppm2 4.822 ! ############### C13_CNnoesy_manual.904 folded + assi (attr store1 < 4.635 and attr store1 > 4.535 ) ((attr store1 < 0.919 and attr store1 > 0.859 ) and (bondedto (attr store1 < 117.879722631 and attr store1 > 117.079722631 ) or bondedto (attr store1 < 70.137 and attr store1 > 69.337 ) or bondedto (attr store1 < 22.3942773688 and attr store1 > 21.5942773688 ))) 6 0.1 0.1 peak 904 volume 5.75798 ppm1 0.889 ppm2 4.585 ! ############### C13_CNnoesy_manual.905 folded + assi (attr store1 < 3.865 and attr store1 > 3.765 ) ((attr store1 < 0.919 and attr store1 > 0.859 ) and (bondedto (attr store1 < 117.909722631 and attr store1 > 117.109722631 ) or bondedto (attr store1 < 70.167 and attr store1 > 69.367 ) or bondedto (attr store1 < 22.4242773688 and attr store1 > 21.6242773688 ))) 6 0.1 0.1 peak 905 volume 33.66860 ppm1 0.889 ppm2 3.815 ! ############### C13_CNnoesy_manual.906 folded + assi (attr store1 < 2.302 and attr store1 > 2.202 ) ((attr store1 < 0.919 and attr store1 > 0.859 ) and (bondedto (attr store1 < 117.902722631 and attr store1 > 117.102722631 ) or bondedto (attr store1 < 70.16 and attr store1 > 69.36 ) or bondedto (attr store1 < 22.4172773688 and attr store1 > 21.6172773688 ))) 6 0.1 0.1 peak 906 volume 34.07030 ppm1 0.889 ppm2 2.252 ! ############### C13_CNnoesy_manual.907 folded + assi (attr store1 < 1.942 and attr store1 > 1.842 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.916722631 and attr store1 > 117.116722631 ) or bondedto (attr store1 < 70.174 and attr store1 > 69.374 ) or bondedto (attr store1 < 22.4312773688 and attr store1 > 21.6312773688 ))) 6 0.1 0.1 peak 907 volume 90.31248 ppm1 0.888 ppm2 1.892 ! ############### C13_CNnoesy_manual.908 folded + assi (attr store1 < 0.145 and attr store1 > 0.045 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 117.905722631 and attr store1 > 117.105722631 ) or bondedto (attr store1 < 70.163 and attr store1 > 69.363 ) or bondedto (attr store1 < 22.4202773688 and attr store1 > 21.6202773688 ))) 6 0.1 0.1 peak 908 volume 27.93967 ppm1 0.888 ppm2 0.095 ! ############### C13_CNnoesy_manual.909 folded - assi (attr store1 < 2.108 and attr store1 > 2.008 ) ((attr store1 < 2.46 and attr store1 > 2.4 ) and (bondedto (attr store1 < 141.683083947 and attr store1 > 140.883083947 ) or bondedto (attr store1 < 46.1976386844 and attr store1 > 45.3976386844 ))) 6 0.1 0.1 peak 909 volume 9.79242 ppm1 2.430 ppm2 2.058 ! ############### C13_CNnoesy_manual.910 folded - assi (attr store1 < 2.483 and attr store1 > 2.383 ) ((attr store1 < 2.071 and attr store1 > 2.011 ) and (bondedto (attr store1 < 141.693083947 and attr store1 > 140.893083947 ) or bondedto (attr store1 < 46.2076386844 and attr store1 > 45.4076386844 ))) 6 0.1 0.1 peak 910 volume 7.51392 ppm1 2.041 ppm2 2.433 ! ############### C13_CNnoesy_manual.911 folded + assi (attr store1 < 7.73 and attr store1 > 7.63 ) ((attr store1 < 7.708 and attr store1 > 7.648 ) and (bondedto (attr store1 < 117.659722631 and attr store1 > 116.859722631 ) or bondedto (attr store1 < 69.917 and attr store1 > 69.117 ) or bondedto (attr store1 < 22.1742773688 and attr store1 > 21.3742773688 ))) 6 0.1 0.1 peak 911 volume 7.66421 ppm1 7.678 ppm2 7.680 ! ############### C13_CNnoesy_manual.912 folded - assi (attr store1 < 4.385 and attr store1 > 4.285 ) ((attr store1 < 7.982 and attr store1 > 7.922 ) and (bondedto (attr store1 < 141.516083947 and attr store1 > 140.716083947 ) or bondedto (attr store1 < 46.0306386844 and attr store1 > 45.2306386844 ))) 6 0.1 0.1 peak 912 volume 7.13773 ppm1 7.952 ppm2 4.335 ! ############### C13_CNnoesy_manual.913 folded - assi (attr store1 < 3.963 and attr store1 > 3.863 ) ((attr store1 < 7.983 and attr store1 > 7.923 ) and (bondedto (attr store1 < 141.553083947 and attr store1 > 140.753083947 ) or bondedto (attr store1 < 46.0676386844 and attr store1 > 45.2676386844 ))) 6 0.1 0.1 peak 913 volume 5.81669 ppm1 7.953 ppm2 3.913 ! ############### C13_CNnoesy_manual.914 folded - assi (attr store1 < 4.091 and attr store1 > 3.991 ) ((attr store1 < 4.073 and attr store1 > 4.013 ) and (bondedto (attr store1 < 141.563083947 and attr store1 > 140.763083947 ) or bondedto (attr store1 < 46.0776386844 and attr store1 > 45.2776386844 ))) 6 0.1 0.1 peak 914 volume 410.7233 ppm1 4.043 ppm2 4.041 ! ############### C13_CNnoesy_manual.915 folded - assi (attr store1 < 3.988 and attr store1 > 3.888 ) ((attr store1 < 4.019 and attr store1 > 3.959 ) and (bondedto (attr store1 < 141.555083947 and attr store1 > 140.755083947 ) or bondedto (attr store1 < 46.0696386844 and attr store1 > 45.2696386844 ))) 6 0.1 0.1 peak 915 volume 37.72119 ppm1 3.989 ppm2 3.938 ! ############### C13_CNnoesy_manual.916 folded - assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 3.95 and attr store1 > 3.89 ) and (bondedto (attr store1 < 141.522083947 and attr store1 > 140.722083947 ) or bondedto (attr store1 < 46.0366386844 and attr store1 > 45.2366386844 ))) 6 0.1 0.1 peak 916 volume 26.89776 ppm1 3.920 ppm2 4.838 ! ############### C13_CNnoesy_manual.917 folded - assi (attr store1 < 3.969 and attr store1 > 3.869 ) ((attr store1 < 3.947 and attr store1 > 3.887 ) and (bondedto (attr store1 < 141.526083947 and attr store1 > 140.726083947 ) or bondedto (attr store1 < 46.0406386844 and attr store1 > 45.2406386844 ))) 6 0.1 0.1 peak 917 volume 275.7782 ppm1 3.917 ppm2 3.919 ! ############### C13_CNnoesy_manual.918 folded - assi (attr store1 < 3.147 and attr store1 > 3.047 ) ((attr store1 < 3.137 and attr store1 > 3.077 ) and (bondedto (attr store1 < 141.521083947 and attr store1 > 140.721083947 ) or bondedto (attr store1 < 46.0356386844 and attr store1 > 45.2356386844 ))) 6 0.1 0.1 peak 918 volume 6.08345 ppm1 3.107 ppm2 3.097 ! ############### C13_CNnoesy_manual.919 folded + assi (attr store1 < 4.603 and attr store1 > 4.503 ) ((attr store1 < 4.583 and attr store1 > 4.523 ) and (bondedto (attr store1 < 117.594722631 and attr store1 > 116.794722631 ) or bondedto (attr store1 < 69.852 and attr store1 > 69.052 ) or bondedto (attr store1 < 22.1092773688 and attr store1 > 21.3092773688 ))) 6 0.1 0.1 peak 919 volume 69.54041 ppm1 4.553 ppm2 4.553 ! ############### C13_CNnoesy_manual.920 folded + assi (attr store1 < 1.29 and attr store1 > 1.19 ) ((attr store1 < 4.582 and attr store1 > 4.522 ) and (bondedto (attr store1 < 117.573722631 and attr store1 > 116.773722631 ) or bondedto (attr store1 < 69.831 and attr store1 > 69.031 ) or bondedto (attr store1 < 22.0882773688 and attr store1 > 21.2882773688 ))) 6 0.1 0.1 peak 920 volume 48.31535 ppm1 4.552 ppm2 1.240 ! ############### C13_CNnoesy_manual.921 folded + assi (attr store1 < 2.566 and attr store1 > 2.466 ) ((attr store1 < 2.546 and attr store1 > 2.486 ) and (bondedto (attr store1 < 117.643722631 and attr store1 > 116.843722631 ) or bondedto (attr store1 < 69.901 and attr store1 > 69.101 ) or bondedto (attr store1 < 22.1582773688 and attr store1 > 21.3582773688 ))) 6 0.1 0.1 peak 921 volume 63.06827 ppm1 2.516 ppm2 2.516 ! ############### C13_CNnoesy_manual.922 folded + assi (attr store1 < 2.183 and attr store1 > 2.083 ) ((attr store1 < 2.17 and attr store1 > 2.11 ) and (bondedto (attr store1 < 117.560722631 and attr store1 > 116.760722631 ) or bondedto (attr store1 < 69.818 and attr store1 > 69.018 ) or bondedto (attr store1 < 22.0752773688 and attr store1 > 21.2752773688 ))) 6 0.1 0.1 peak 922 volume 44.42424 ppm1 2.140 ppm2 2.133 ! ############### C13_CNnoesy_manual.923 folded + assi (attr store1 < 2.103 and attr store1 > 2.003 ) ((attr store1 < 2.089 and attr store1 > 2.029 ) and (bondedto (attr store1 < 117.612722631 and attr store1 > 116.812722631 ) or bondedto (attr store1 < 69.87 and attr store1 > 69.07 ) or bondedto (attr store1 < 22.1272773688 and attr store1 > 21.3272773688 ))) 6 0.1 0.1 peak 923 volume 30.10628 ppm1 2.059 ppm2 2.053 ! ############### C13_CNnoesy_manual.924 folded + assi (attr store1 < 1.947 and attr store1 > 1.847 ) ((attr store1 < 1.925 and attr store1 > 1.865 ) and (bondedto (attr store1 < 117.566722631 and attr store1 > 116.766722631 ) or bondedto (attr store1 < 69.824 and attr store1 > 69.024 ) or bondedto (attr store1 < 22.0812773688 and attr store1 > 21.2812773688 ))) 6 0.1 0.1 peak 924 volume 49.18706 ppm1 1.895 ppm2 1.897 ! ############### C13_CNnoesy_manual.925 folded + assi (attr store1 < 4.857 and attr store1 > 4.757 ) ((attr store1 < 1.27 and attr store1 > 1.21 ) and (bondedto (attr store1 < 117.576722631 and attr store1 > 116.776722631 ) or bondedto (attr store1 < 69.834 and attr store1 > 69.034 ) or bondedto (attr store1 < 22.0912773688 and attr store1 > 21.2912773688 ))) 6 0.1 0.1 peak 925 volume 155.07904 ppm1 1.240 ppm2 4.807 ! ############### C13_CNnoesy_manual.926 folded + assi (attr store1 < 4.601 and attr store1 > 4.501 ) ((attr store1 < 1.27 and attr store1 > 1.21 ) and (bondedto (attr store1 < 117.573722631 and attr store1 > 116.773722631 ) or bondedto (attr store1 < 69.831 and attr store1 > 69.031 ) or bondedto (attr store1 < 22.0882773688 and attr store1 > 21.2882773688 ))) 6 0.1 0.1 peak 926 volume 158.27412 ppm1 1.240 ppm2 4.551 ! ############### C13_CNnoesy_manual.927 folded + assi (attr store1 < 4.249 and attr store1 > 4.149 ) ((attr store1 < 1.269 and attr store1 > 1.209 ) and (bondedto (attr store1 < 117.588722631 and attr store1 > 116.788722631 ) or bondedto (attr store1 < 69.846 and attr store1 > 69.046 ) or bondedto (attr store1 < 22.1032773688 and attr store1 > 21.3032773688 ))) 6 0.1 0.1 peak 927 volume 20.07816 ppm1 1.239 ppm2 4.199 ! ############### C13_CNnoesy_manual.928 folded + assi (attr store1 < 3.731 and attr store1 > 3.631 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 117.612722631 and attr store1 > 116.812722631 ) or bondedto (attr store1 < 69.87 and attr store1 > 69.07 ) or bondedto (attr store1 < 22.1272773688 and attr store1 > 21.3272773688 ))) 6 0.1 0.1 peak 928 volume 5.99435 ppm1 1.241 ppm2 3.681 ! ############### C13_CNnoesy_manual.929 folded + assi (attr store1 < 2.565 and attr store1 > 2.465 ) ((attr store1 < 1.27 and attr store1 > 1.21 ) and (bondedto (attr store1 < 117.588722631 and attr store1 > 116.788722631 ) or bondedto (attr store1 < 69.846 and attr store1 > 69.046 ) or bondedto (attr store1 < 22.1032773688 and attr store1 > 21.3032773688 ))) 6 0.1 0.1 peak 929 volume 13.33610 ppm1 1.240 ppm2 2.515 ! ############### C13_CNnoesy_manual.930 folded + assi (attr store1 < 2.31 and attr store1 > 2.21 ) ((attr store1 < 1.268 and attr store1 > 1.208 ) and (bondedto (attr store1 < 117.552722631 and attr store1 > 116.752722631 ) or bondedto (attr store1 < 69.81 and attr store1 > 69.01 ) or bondedto (attr store1 < 22.0672773688 and attr store1 > 21.2672773688 ))) 6 0.1 0.1 peak 930 volume 19.92795 ppm1 1.238 ppm2 2.260 ! ############### C13_CNnoesy_manual.931 folded + assi (attr store1 < 1.971 and attr store1 > 1.871 ) ((attr store1 < 1.269 and attr store1 > 1.209 ) and (bondedto (attr store1 < 117.560722631 and attr store1 > 116.760722631 ) or bondedto (attr store1 < 69.818 and attr store1 > 69.018 ) or bondedto (attr store1 < 22.0752773688 and attr store1 > 21.2752773688 ))) 6 0.1 0.1 peak 931 volume 38.50828 ppm1 1.239 ppm2 1.921 ! ############### C13_CNnoesy_manual.932 folded + assi (attr store1 < 1.456 and attr store1 > 1.356 ) ((attr store1 < 1.266 and attr store1 > 1.206 ) and (bondedto (attr store1 < 117.596722631 and attr store1 > 116.796722631 ) or bondedto (attr store1 < 69.854 and attr store1 > 69.054 ) or bondedto (attr store1 < 22.1112773688 and attr store1 > 21.3112773688 ))) 6 0.1 0.1 peak 932 volume 64.45455 ppm1 1.236 ppm2 1.406 ! ############### C13_CNnoesy_manual.933 folded + assi (attr store1 < 1.289 and attr store1 > 1.189 ) ((attr store1 < 1.27 and attr store1 > 1.21 ) and (bondedto (attr store1 < 117.564722631 and attr store1 > 116.764722631 ) or bondedto (attr store1 < 69.822 and attr store1 > 69.022 ) or bondedto (attr store1 < 22.0792773688 and attr store1 > 21.2792773688 ))) 6 0.1 0.1 peak 933 volume 4507.80078 ppm1 1.240 ppm2 1.239 ! ############### C13_CNnoesy_manual.934 folded + assi (attr store1 < 1.12 and attr store1 > 1.02 ) ((attr store1 < 1.267 and attr store1 > 1.207 ) and (bondedto (attr store1 < 117.582722631 and attr store1 > 116.782722631 ) or bondedto (attr store1 < 69.84 and attr store1 > 69.04 ) or bondedto (attr store1 < 22.0972773688 and attr store1 > 21.2972773688 ))) 6 0.1 0.1 peak 934 volume 82.10493 ppm1 1.237 ppm2 1.070 ! ############### C13_CNnoesy_manual.935 folded + assi (attr store1 < 1.026 and attr store1 > 0.926 ) ((attr store1 < 1.266 and attr store1 > 1.206 ) and (bondedto (attr store1 < 117.588722631 and attr store1 > 116.788722631 ) or bondedto (attr store1 < 69.846 and attr store1 > 69.046 ) or bondedto (attr store1 < 22.1032773688 and attr store1 > 21.3032773688 ))) 6 0.1 0.1 peak 935 volume 46.32359 ppm1 1.236 ppm2 0.976 ! ############### C13_CNnoesy_manual.936 folded + assi (attr store1 < 0.939 and attr store1 > 0.839 ) ((attr store1 < 1.266 and attr store1 > 1.206 ) and (bondedto (attr store1 < 117.580722631 and attr store1 > 116.780722631 ) or bondedto (attr store1 < 69.838 and attr store1 > 69.038 ) or bondedto (attr store1 < 22.0952773688 and attr store1 > 21.2952773688 ))) 6 0.1 0.1 peak 936 volume 31.54849 ppm1 1.236 ppm2 0.889 ! ############### C13_CNnoesy_manual.937 folded + assi (attr store1 < 1.774 and attr store1 > 1.674 ) ((attr store1 < 1.263 and attr store1 > 1.203 ) and (bondedto (attr store1 < 117.594722631 and attr store1 > 116.794722631 ) or bondedto (attr store1 < 69.852 and attr store1 > 69.052 ) or bondedto (attr store1 < 22.1092773688 and attr store1 > 21.3092773688 ))) 6 0.1 0.1 peak 937 volume 9.68882 ppm1 1.233 ppm2 1.724 ! ############### C13_CNnoesy_manual.938 folded + assi (attr store1 < 1.554 and attr store1 > 1.454 ) ((attr store1 < 1.263 and attr store1 > 1.203 ) and (bondedto (attr store1 < 117.590722631 and attr store1 > 116.790722631 ) or bondedto (attr store1 < 69.848 and attr store1 > 69.048 ) or bondedto (attr store1 < 22.1052773688 and attr store1 > 21.3052773688 ))) 6 0.1 0.1 peak 938 volume 21.81241 ppm1 1.233 ppm2 1.504 ! ############### C13_CNnoesy_manual.939 folded + assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 0.885 and attr store1 > 0.825 ) and (bondedto (attr store1 < 117.574722631 and attr store1 > 116.774722631 ) or bondedto (attr store1 < 69.832 and attr store1 > 69.032 ) or bondedto (attr store1 < 22.0892773688 and attr store1 > 21.2892773688 ))) 6 0.1 0.1 peak 939 volume 7.62454 ppm1 0.855 ppm2 4.837 ! ############### C13_CNnoesy_manual.940 folded - assi (attr store1 < 8.006 and attr store1 > 7.906 ) ((attr store1 < 7.98 and attr store1 > 7.92 ) and (bondedto (attr store1 < 141.466083947 and attr store1 > 140.666083947 ) or bondedto (attr store1 < 45.9806386844 and attr store1 > 45.1806386844 ))) 6 0.1 0.1 peak 940 volume 6.36714 ppm1 7.950 ppm2 7.956 ! ############### C13_CNnoesy_manual.941 folded - assi (attr store1 < 8.003 and attr store1 > 7.903 ) ((attr store1 < 4.37 and attr store1 > 4.31 ) and (bondedto (attr store1 < 141.511083947 and attr store1 > 140.711083947 ) or bondedto (attr store1 < 46.0256386844 and attr store1 > 45.2256386844 ))) 6 0.1 0.1 peak 941 volume 11.75919 ppm1 4.340 ppm2 7.953 ! ############### C13_CNnoesy_manual.942 folded - assi (attr store1 < 4.389 and attr store1 > 4.289 ) ((attr store1 < 4.371 and attr store1 > 4.311 ) and (bondedto (attr store1 < 141.501083947 and attr store1 > 140.701083947 ) or bondedto (attr store1 < 46.0156386844 and attr store1 > 45.2156386844 ))) 6 0.1 0.1 peak 942 volume 225.2529 ppm1 4.341 ppm2 4.339 ! ############### C13_CNnoesy_manual.943 folded - assi (attr store1 < 3.965 and attr store1 > 3.865 ) ((attr store1 < 4.368 and attr store1 > 4.308 ) and (bondedto (attr store1 < 141.491083947 and attr store1 > 140.691083947 ) or bondedto (attr store1 < 46.0056386844 and attr store1 > 45.2056386844 ))) 6 0.1 0.1 peak 943 volume 189.06331 ppm1 4.338 ppm2 3.915 ! ############### C13_CNnoesy_manual.944 folded - assi (attr store1 < 4.892 and attr store1 > 4.792 ) ((attr store1 < 4.366 and attr store1 > 4.306 ) and (bondedto (attr store1 < 141.489083947 and attr store1 > 140.689083947 ) or bondedto (attr store1 < 46.0036386844 and attr store1 > 45.2036386844 ))) 6 0.1 0.1 peak 944 volume 18.05645 ppm1 4.336 ppm2 4.842 ! ############### C13_CNnoesy_manual.945 folded - assi (attr store1 < 8.007 and attr store1 > 7.907 ) ((attr store1 < 3.946 and attr store1 > 3.886 ) and (bondedto (attr store1 < 141.497083947 and attr store1 > 140.697083947 ) or bondedto (attr store1 < 46.0116386844 and attr store1 > 45.2116386844 ))) 6 0.1 0.1 peak 945 volume 14.41718 ppm1 3.916 ppm2 7.957 ! ############### C13_CNnoesy_manual.946 folded - assi (attr store1 < 4.389 and attr store1 > 4.289 ) ((attr store1 < 3.945 and attr store1 > 3.885 ) and (bondedto (attr store1 < 141.491083947 and attr store1 > 140.691083947 ) or bondedto (attr store1 < 46.0056386844 and attr store1 > 45.2056386844 ))) 6 0.1 0.1 peak 946 volume 220.23871 ppm1 3.915 ppm2 4.339 ! ############### C13_CNnoesy_manual.947 folded - assi (attr store1 < 0.999 and attr store1 > 0.899 ) ((attr store1 < 0.984 and attr store1 > 0.924 ) and (bondedto (attr store1 < 141.496083947 and attr store1 > 140.696083947 ) or bondedto (attr store1 < 46.0106386844 and attr store1 > 45.2106386844 ))) 6 0.1 0.1 peak 947 volume 137.72714 ppm1 0.954 ppm2 0.949 ! ############### C13_CNnoesy_manual.948 folded + assi (attr store1 < 1.949 and attr store1 > 1.849 ) ((attr store1 < 1.947 and attr store1 > 1.887 ) and (bondedto (attr store1 < 117.540722631 and attr store1 > 116.740722631 ) or bondedto (attr store1 < 69.798 and attr store1 > 68.998 ) or bondedto (attr store1 < 22.0552773688 and attr store1 > 21.2552773688 ))) 6 0.1 0.1 peak 948 volume 39.62135 ppm1 1.917 ppm2 1.899 ! ############### C13_CNnoesy_manual.949 folded + assi (attr store1 < 1.875 and attr store1 > 1.775 ) ((attr store1 < 1.86 and attr store1 > 1.8 ) and (bondedto (attr store1 < 117.482722631 and attr store1 > 116.682722631 ) or bondedto (attr store1 < 69.74 and attr store1 > 68.94 ) or bondedto (attr store1 < 21.9972773688 and attr store1 > 21.1972773688 ))) 6 0.1 0.1 peak 949 volume 64.33932 ppm1 1.830 ppm2 1.825 ! ############### C13_CNnoesy_manual.950 folded + assi (attr store1 < 9.299 and attr store1 > 9.199 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 117.548722631 and attr store1 > 116.748722631 ) or bondedto (attr store1 < 69.806 and attr store1 > 69.006 ) or bondedto (attr store1 < 22.0632773688 and attr store1 > 21.2632773688 ))) 6 0.1 0.1 peak 950 volume 27.56433 ppm1 1.241 ppm2 9.249 ! ############### C13_CNnoesy_manual.951 folded + assi (attr store1 < 7.678 and attr store1 > 7.578 ) ((attr store1 < 1.271 and attr store1 > 1.211 ) and (bondedto (attr store1 < 117.536722631 and attr store1 > 116.736722631 ) or bondedto (attr store1 < 69.794 and attr store1 > 68.994 ) or bondedto (attr store1 < 22.0512773688 and attr store1 > 21.2512773688 ))) 6 0.1 0.1 peak 951 volume 9.06217 ppm1 1.241 ppm2 7.628 ! ############### C13_CNnoesy_manual.952 folded + assi (attr store1 < 1.816 and attr store1 > 1.716 ) ((attr store1 < 1.791 and attr store1 > 1.731 ) and (bondedto (attr store1 < 117.450722631 and attr store1 > 116.650722631 ) or bondedto (attr store1 < 69.708 and attr store1 > 68.908 ) or bondedto (attr store1 < 21.9652773688 and attr store1 > 21.1652773688 ))) 6 0.1 0.1 peak 952 volume 85.50950 ppm1 1.761 ppm2 1.766 ! ############### C13_CNnoesy_manual.953 folded + assi (attr store1 < 1.724 and attr store1 > 1.624 ) ((attr store1 < 1.702 and attr store1 > 1.642 ) and (bondedto (attr store1 < 117.388722631 and attr store1 > 116.588722631 ) or bondedto (attr store1 < 69.646 and attr store1 > 68.846 ) or bondedto (attr store1 < 21.9032773688 and attr store1 > 21.1032773688 ))) 6 0.1 0.1 peak 953 volume 106.36807 ppm1 1.672 ppm2 1.674 ! ############### C13_CNnoesy_manual.954 folded + assi (attr store1 < 1.609 and attr store1 > 1.509 ) ((attr store1 < 1.587 and attr store1 > 1.527 ) and (bondedto (attr store1 < 117.435722631 and attr store1 > 116.635722631 ) or bondedto (attr store1 < 69.693 and attr store1 > 68.893 ) or bondedto (attr store1 < 21.9502773688 and attr store1 > 21.1502773688 ))) 6 0.1 0.1 peak 954 volume 303.55777 ppm1 1.557 ppm2 1.559 ! ############### C13_CNnoesy_manual.955 folded + assi (attr store1 < 2.639 and attr store1 > 2.539 ) ((attr store1 < 2.639 and attr store1 > 2.579 ) and (bondedto (attr store1 < 117.341722631 and attr store1 > 116.541722631 ) or bondedto (attr store1 < 69.599 and attr store1 > 68.799 ) or bondedto (attr store1 < 21.8562773688 and attr store1 > 21.0562773688 ))) 6 0.1 0.1 peak 955 volume 7.91126 ppm1 2.609 ppm2 2.589 ! ############### C13_CNnoesy_manual.956 folded + assi (attr store1 < 2.092 and attr store1 > 1.992 ) ((attr store1 < 2.468 and attr store1 > 2.408 ) and (bondedto (attr store1 < 117.281722631 and attr store1 > 116.481722631 ) or bondedto (attr store1 < 69.539 and attr store1 > 68.739 ) or bondedto (attr store1 < 21.7962773688 and attr store1 > 20.9962773688 ))) 6 0.1 0.1 peak 956 volume 12.22433 ppm1 2.438 ppm2 2.042 ! ############### C13_CNnoesy_manual.957 folded + assi (attr store1 < 2.489 and attr store1 > 2.389 ) ((attr store1 < 2.075 and attr store1 > 2.015 ) and (bondedto (attr store1 < 117.281722631 and attr store1 > 116.481722631 ) or bondedto (attr store1 < 69.539 and attr store1 > 68.739 ) or bondedto (attr store1 < 21.7962773688 and attr store1 > 20.9962773688 ))) 6 0.1 0.1 peak 957 volume 12.90694 ppm1 2.045 ppm2 2.439 ! ############### C13_CNnoesy_manual.958 folded + assi (attr store1 < 8.354 and attr store1 > 8.254 ) ((attr store1 < 1.077 and attr store1 > 1.017 ) and (bondedto (attr store1 < 117.271722631 and attr store1 > 116.471722631 ) or bondedto (attr store1 < 69.529 and attr store1 > 68.729 ) or bondedto (attr store1 < 21.7862773688 and attr store1 > 20.9862773688 ))) 6 0.1 0.1 peak 958 volume 18.91795 ppm1 1.047 ppm2 8.304 ! ############### C13_CNnoesy_manual.959 folded + assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 1.064 and attr store1 > 1.004 ) and (bondedto (attr store1 < 117.272722631 and attr store1 > 116.472722631 ) or bondedto (attr store1 < 69.53 and attr store1 > 68.73 ) or bondedto (attr store1 < 21.7872773688 and attr store1 > 20.9872773688 ))) 6 0.1 0.1 peak 959 volume 40.23386 ppm1 1.034 ppm2 4.837 ! ############### C13_CNnoesy_manual.960 folded + assi (attr store1 < 1.51 and attr store1 > 1.41 ) ((attr store1 < 1.499 and attr store1 > 1.439 ) and (bondedto (attr store1 < 117.242722631 and attr store1 > 116.442722631 ) or bondedto (attr store1 < 69.5 and attr store1 > 68.7 ) or bondedto (attr store1 < 21.7572773688 and attr store1 > 20.9572773688 ))) 6 0.1 0.1 peak 960 volume 118.19517 ppm1 1.469 ppm2 1.460 ! ############### C13_CNnoesy_manual.961 folded + assi (attr store1 < 7.852 and attr store1 > 7.752 ) ((attr store1 < 1.075 and attr store1 > 1.015 ) and (bondedto (attr store1 < 117.271722631 and attr store1 > 116.471722631 ) or bondedto (attr store1 < 69.529 and attr store1 > 68.729 ) or bondedto (attr store1 < 21.7862773688 and attr store1 > 20.9862773688 ))) 6 0.1 0.1 peak 961 volume 15.08558 ppm1 1.045 ppm2 7.802 ! ############### C13_CNnoesy_manual.962 folded + assi (attr store1 < 7.358 and attr store1 > 7.258 ) ((attr store1 < 1.071 and attr store1 > 1.011 ) and (bondedto (attr store1 < 117.233722631 and attr store1 > 116.433722631 ) or bondedto (attr store1 < 69.491 and attr store1 > 68.691 ) or bondedto (attr store1 < 21.7482773688 and attr store1 > 20.9482773688 ))) 6 0.1 0.1 peak 962 volume 22.12979 ppm1 1.041 ppm2 7.308 ! ############### C13_CNnoesy_manual.963 folded + assi (attr store1 < 7.174 and attr store1 > 7.074 ) ((attr store1 < 1.072 and attr store1 > 1.012 ) and (bondedto (attr store1 < 117.233722631 and attr store1 > 116.433722631 ) or bondedto (attr store1 < 69.491 and attr store1 > 68.691 ) or bondedto (attr store1 < 21.7482773688 and attr store1 > 20.9482773688 ))) 6 0.1 0.1 peak 963 volume 26.47558 ppm1 1.042 ppm2 7.124 ! ############### C13_CNnoesy_manual.964 folded + assi (attr store1 < 4.4 and attr store1 > 4.3 ) ((attr store1 < 1.073 and attr store1 > 1.013 ) and (bondedto (attr store1 < 117.254722631 and attr store1 > 116.454722631 ) or bondedto (attr store1 < 69.512 and attr store1 > 68.712 ) or bondedto (attr store1 < 21.7692773688 and attr store1 > 20.9692773688 ))) 6 0.1 0.1 peak 964 volume 22.37624 ppm1 1.043 ppm2 4.350 ! ############### C13_CNnoesy_manual.965 folded + assi (attr store1 < 4.211 and attr store1 > 4.111 ) ((attr store1 < 1.076 and attr store1 > 1.016 ) and (bondedto (attr store1 < 117.260722631 and attr store1 > 116.460722631 ) or bondedto (attr store1 < 69.518 and attr store1 > 68.718 ) or bondedto (attr store1 < 21.7752773688 and attr store1 > 20.9752773688 ))) 6 0.1 0.1 peak 965 volume 40.66938 ppm1 1.046 ppm2 4.161 ! ############### C13_CNnoesy_manual.966 folded + assi (attr store1 < 4.03 and attr store1 > 3.93 ) ((attr store1 < 1.076 and attr store1 > 1.016 ) and (bondedto (attr store1 < 117.252722631 and attr store1 > 116.452722631 ) or bondedto (attr store1 < 69.51 and attr store1 > 68.71 ) or bondedto (attr store1 < 21.7672773688 and attr store1 > 20.9672773688 ))) 6 0.1 0.1 peak 966 volume 93.29816 ppm1 1.046 ppm2 3.980 ! ############### C13_CNnoesy_manual.967 folded + assi (attr store1 < 3.785 and attr store1 > 3.685 ) ((attr store1 < 1.072 and attr store1 > 1.012 ) and (bondedto (attr store1 < 117.220722631 and attr store1 > 116.420722631 ) or bondedto (attr store1 < 69.478 and attr store1 > 68.678 ) or bondedto (attr store1 < 21.7352773688 and attr store1 > 20.9352773688 ))) 6 0.1 0.1 peak 967 volume 89.80166 ppm1 1.042 ppm2 3.735 ! ############### C13_CNnoesy_manual.968 folded + assi (attr store1 < 3.097 and attr store1 > 2.997 ) ((attr store1 < 1.078 and attr store1 > 1.018 ) and (bondedto (attr store1 < 117.256722631 and attr store1 > 116.456722631 ) or bondedto (attr store1 < 69.514 and attr store1 > 68.714 ) or bondedto (attr store1 < 21.7712773688 and attr store1 > 20.9712773688 ))) 6 0.1 0.1 peak 968 volume 9.12600 ppm1 1.048 ppm2 3.047 ! ############### C13_CNnoesy_manual.969 folded + assi (attr store1 < 2.653 and attr store1 > 2.553 ) ((attr store1 < 1.076 and attr store1 > 1.016 ) and (bondedto (attr store1 < 117.258722631 and attr store1 > 116.458722631 ) or bondedto (attr store1 < 69.516 and attr store1 > 68.716 ) or bondedto (attr store1 < 21.7732773688 and attr store1 > 20.9732773688 ))) 6 0.1 0.1 peak 969 volume 18.99169 ppm1 1.046 ppm2 2.603 ! ############### C13_CNnoesy_manual.970 folded + assi (attr store1 < 2.331 and attr store1 > 2.231 ) ((attr store1 < 1.074 and attr store1 > 1.014 ) and (bondedto (attr store1 < 117.238722631 and attr store1 > 116.438722631 ) or bondedto (attr store1 < 69.496 and attr store1 > 68.696 ) or bondedto (attr store1 < 21.7532773688 and attr store1 > 20.9532773688 ))) 6 0.1 0.1 peak 970 volume 264.79996 ppm1 1.044 ppm2 2.281 ! ############### C13_CNnoesy_manual.971 folded + assi (attr store1 < 1.657 and attr store1 > 1.557 ) ((attr store1 < 1.071 and attr store1 > 1.011 ) and (bondedto (attr store1 < 117.256722631 and attr store1 > 116.456722631 ) or bondedto (attr store1 < 69.514 and attr store1 > 68.714 ) or bondedto (attr store1 < 21.7712773688 and attr store1 > 20.9712773688 ))) 6 0.1 0.1 peak 971 volume 30.80600 ppm1 1.041 ppm2 1.607 ! ############### C13_CNnoesy_manual.972 folded + assi (attr store1 < 1.267 and attr store1 > 1.167 ) ((attr store1 < 1.073 and attr store1 > 1.013 ) and (bondedto (attr store1 < 117.238722631 and attr store1 > 116.438722631 ) or bondedto (attr store1 < 69.496 and attr store1 > 68.696 ) or bondedto (attr store1 < 21.7532773688 and attr store1 > 20.9532773688 ))) 6 0.1 0.1 peak 972 volume 385.15451 ppm1 1.043 ppm2 1.217 ! ############### C13_CNnoesy_manual.973 folded + assi (attr store1 < 1.096 and attr store1 > 0.996 ) ((attr store1 < 1.075 and attr store1 > 1.015 ) and (bondedto (attr store1 < 117.245722631 and attr store1 > 116.445722631 ) or bondedto (attr store1 < 69.503 and attr store1 > 68.703 ) or bondedto (attr store1 < 21.7602773688 and attr store1 > 20.9602773688 ))) 6 0.1 0.1 peak 973 volume 9606.72754 ppm1 1.045 ppm2 1.046 ! ############### C13_CNnoesy_manual.974 folded + assi (attr store1 < 0.928 and attr store1 > 0.828 ) ((attr store1 < 1.074 and attr store1 > 1.014 ) and (bondedto (attr store1 < 117.241722631 and attr store1 > 116.441722631 ) or bondedto (attr store1 < 69.499 and attr store1 > 68.699 ) or bondedto (attr store1 < 21.7562773688 and attr store1 > 20.9562773688 ))) 6 0.1 0.1 peak 974 volume 192.79268 ppm1 1.044 ppm2 0.878 ! ############### C13_CNnoesy_manual.975 folded + assi (attr store1 < 2.033 and attr store1 > 1.933 ) ((attr store1 < 1.07 and attr store1 > 1.01 ) and (bondedto (attr store1 < 117.248722631 and attr store1 > 116.448722631 ) or bondedto (attr store1 < 69.506 and attr store1 > 68.706 ) or bondedto (attr store1 < 21.7632773688 and attr store1 > 20.9632773688 ))) 6 0.1 0.1 peak 975 volume 21.64935 ppm1 1.040 ppm2 1.983 ! ############### C13_CNnoesy_manual.976 folded + assi (attr store1 < 1.824 and attr store1 > 1.724 ) ((attr store1 < 1.07 and attr store1 > 1.01 ) and (bondedto (attr store1 < 117.236722631 and attr store1 > 116.436722631 ) or bondedto (attr store1 < 69.494 and attr store1 > 68.694 ) or bondedto (attr store1 < 21.7512773688 and attr store1 > 20.9512773688 ))) 6 0.1 0.1 peak 976 volume 39.23233 ppm1 1.040 ppm2 1.774 ! ############### C13_CNnoesy_manual.977 folded + assi (attr store1 < 1.59 and attr store1 > 1.49 ) ((attr store1 < 1.069 and attr store1 > 1.009 ) and (bondedto (attr store1 < 117.246722631 and attr store1 > 116.446722631 ) or bondedto (attr store1 < 69.504 and attr store1 > 68.704 ) or bondedto (attr store1 < 21.7612773688 and attr store1 > 20.9612773688 ))) 6 0.1 0.1 peak 977 volume 28.65534 ppm1 1.039 ppm2 1.540 ! ############### C13_CNnoesy_manual.978 folded + assi (attr store1 < 1.44 and attr store1 > 1.34 ) ((attr store1 < 1.07 and attr store1 > 1.01 ) and (bondedto (attr store1 < 117.240722631 and attr store1 > 116.440722631 ) or bondedto (attr store1 < 69.498 and attr store1 > 68.698 ) or bondedto (attr store1 < 21.7552773688 and attr store1 > 20.9552773688 ))) 6 0.1 0.1 peak 978 volume 48.79880 ppm1 1.040 ppm2 1.390 ! ############### C13_CNnoesy_manual.979 folded + assi (attr store1 < 0.828 and attr store1 > 0.728 ) ((attr store1 < 1.07 and attr store1 > 1.01 ) and (bondedto (attr store1 < 117.246722631 and attr store1 > 116.446722631 ) or bondedto (attr store1 < 69.504 and attr store1 > 68.704 ) or bondedto (attr store1 < 21.7612773688 and attr store1 > 20.9612773688 ))) 6 0.1 0.1 peak 979 volume 50.75618 ppm1 1.040 ppm2 0.778 ! ############### C13_CNnoesy_manual.980 folded + assi (attr store1 < 0.724 and attr store1 > 0.624 ) ((attr store1 < 1.068 and attr store1 > 1.008 ) and (bondedto (attr store1 < 117.270722631 and attr store1 > 116.470722631 ) or bondedto (attr store1 < 69.528 and attr store1 > 68.728 ) or bondedto (attr store1 < 21.7852773688 and attr store1 > 20.9852773688 ))) 6 0.1 0.1 peak 980 volume 24.11963 ppm1 1.038 ppm2 0.674 ! ############### C13_CNnoesy_manual.981 folded - assi (attr store1 < 4.134 and attr store1 > 4.034 ) ((attr store1 < 4.128 and attr store1 > 4.068 ) and (bondedto (attr store1 < 141.143083947 and attr store1 > 140.343083947 ) or bondedto (attr store1 < 45.6576386844 and attr store1 > 44.8576386844 ))) 6 0.1 0.1 peak 981 volume 61.68475 ppm1 4.098 ppm2 4.084 ! ############### C13_CNnoesy_manual.982 folded - assi (attr store1 < 1.083 and attr store1 > 0.983 ) ((attr store1 < 1.349 and attr store1 > 1.289 ) and (bondedto (attr store1 < 141.102083947 and attr store1 > 140.302083947 ) or bondedto (attr store1 < 45.6166386844 and attr store1 > 44.8166386844 ))) 6 0.1 0.1 peak 982 volume 17.53673 ppm1 1.319 ppm2 1.033 ! ############### C13_CNnoesy_manual.983 folded + assi (attr store1 < 7.365 and attr store1 > 7.265 ) ((attr store1 < 0.852 and attr store1 > 0.792 ) and (bondedto (attr store1 < 117.122722631 and attr store1 > 116.322722631 ) or bondedto (attr store1 < 69.38 and attr store1 > 68.58 ) or bondedto (attr store1 < 21.6372773688 and attr store1 > 20.8372773688 ))) 6 0.1 0.1 peak 983 volume 11.03789 ppm1 0.822 ppm2 7.315 ! ############### C13_CNnoesy_manual.984 folded + assi (attr store1 < 3.068 and attr store1 > 2.968 ) ((attr store1 < 0.852 and attr store1 > 0.792 ) and (bondedto (attr store1 < 117.143722631 and attr store1 > 116.343722631 ) or bondedto (attr store1 < 69.401 and attr store1 > 68.601 ) or bondedto (attr store1 < 21.6582773688 and attr store1 > 20.8582773688 ))) 6 0.1 0.1 peak 984 volume 10.34765 ppm1 0.822 ppm2 3.018 ! ############### C13_CNnoesy_manual.985 folded + assi (attr store1 < 1.772 and attr store1 > 1.672 ) ((attr store1 < 0.852 and attr store1 > 0.792 ) and (bondedto (attr store1 < 117.136722631 and attr store1 > 116.336722631 ) or bondedto (attr store1 < 69.394 and attr store1 > 68.594 ) or bondedto (attr store1 < 21.6512773688 and attr store1 > 20.8512773688 ))) 6 0.1 0.1 peak 985 volume 27.40844 ppm1 0.822 ppm2 1.722 ! ############### C13_CNnoesy_manual.986 folded + assi (attr store1 < 1.501 and attr store1 > 1.401 ) ((attr store1 < 0.851 and attr store1 > 0.791 ) and (bondedto (attr store1 < 117.095722631 and attr store1 > 116.295722631 ) or bondedto (attr store1 < 69.353 and attr store1 > 68.553 ) or bondedto (attr store1 < 21.6102773688 and attr store1 > 20.8102773688 ))) 6 0.1 0.1 peak 986 volume 13.17395 ppm1 0.821 ppm2 1.451 ! ############### C13_CNnoesy_manual.987 folded + assi (attr store1 < 1.374 and attr store1 > 1.274 ) ((attr store1 < 0.858 and attr store1 > 0.798 ) and (bondedto (attr store1 < 117.114722631 and attr store1 > 116.314722631 ) or bondedto (attr store1 < 69.372 and attr store1 > 68.572 ) or bondedto (attr store1 < 21.6292773688 and attr store1 > 20.8292773688 ))) 6 0.1 0.1 peak 987 volume 16.36213 ppm1 0.828 ppm2 1.324 ! ############### C13_CNnoesy_manual.988 folded + assi (attr store1 < 0.353 and attr store1 > 0.253 ) ((attr store1 < 0.851 and attr store1 > 0.791 ) and (bondedto (attr store1 < 117.102722631 and attr store1 > 116.302722631 ) or bondedto (attr store1 < 69.36 and attr store1 > 68.56 ) or bondedto (attr store1 < 21.6172773688 and attr store1 > 20.8172773688 ))) 6 0.1 0.1 peak 988 volume 88.82580 ppm1 0.821 ppm2 0.303 ! ############### C13_CNnoesy_manual.989 folded + assi (attr store1 < 7.376 and attr store1 > 7.276 ) ((attr store1 < 0.33 and attr store1 > 0.27 ) and (bondedto (attr store1 < 117.095722631 and attr store1 > 116.295722631 ) or bondedto (attr store1 < 69.353 and attr store1 > 68.553 ) or bondedto (attr store1 < 21.6102773688 and attr store1 > 20.8102773688 ))) 6 0.1 0.1 peak 989 volume 10.20551 ppm1 0.300 ppm2 7.326 ! ############### C13_CNnoesy_manual.990 folded + assi (attr store1 < 6.811 and attr store1 > 6.711 ) ((attr store1 < 0.332 and attr store1 > 0.272 ) and (bondedto (attr store1 < 117.146722631 and attr store1 > 116.346722631 ) or bondedto (attr store1 < 69.404 and attr store1 > 68.604 ) or bondedto (attr store1 < 21.6612773688 and attr store1 > 20.8612773688 ))) 6 0.1 0.1 peak 990 volume 9.79809 ppm1 0.302 ppm2 6.761 ! ############### C13_CNnoesy_manual.991 folded + assi (attr store1 < 4.892 and attr store1 > 4.792 ) ((attr store1 < 0.333 and attr store1 > 0.273 ) and (bondedto (attr store1 < 117.087722631 and attr store1 > 116.287722631 ) or bondedto (attr store1 < 69.345 and attr store1 > 68.545 ) or bondedto (attr store1 < 21.6022773688 and attr store1 > 20.8022773688 ))) 6 0.1 0.1 peak 991 volume 6.36573 ppm1 0.303 ppm2 4.842 ! ############### C13_CNnoesy_manual.992 folded + assi (attr store1 < 3.073 and attr store1 > 2.973 ) ((attr store1 < 0.333 and attr store1 > 0.273 ) and (bondedto (attr store1 < 117.148722631 and attr store1 > 116.348722631 ) or bondedto (attr store1 < 69.406 and attr store1 > 68.606 ) or bondedto (attr store1 < 21.6632773688 and attr store1 > 20.8632773688 ))) 6 0.1 0.1 peak 992 volume 8.64213 ppm1 0.303 ppm2 3.023 ! ############### C13_CNnoesy_manual.993 folded + assi (attr store1 < 1.779 and attr store1 > 1.679 ) ((attr store1 < 0.33 and attr store1 > 0.27 ) and (bondedto (attr store1 < 117.116722631 and attr store1 > 116.316722631 ) or bondedto (attr store1 < 69.374 and attr store1 > 68.574 ) or bondedto (attr store1 < 21.6312773688 and attr store1 > 20.8312773688 ))) 6 0.1 0.1 peak 993 volume 26.93119 ppm1 0.300 ppm2 1.729 ! ############### C13_CNnoesy_manual.994 folded + assi (attr store1 < 1.507 and attr store1 > 1.407 ) ((attr store1 < 0.331 and attr store1 > 0.271 ) and (bondedto (attr store1 < 117.105722631 and attr store1 > 116.305722631 ) or bondedto (attr store1 < 69.363 and attr store1 > 68.563 ) or bondedto (attr store1 < 21.6202773688 and attr store1 > 20.8202773688 ))) 6 0.1 0.1 peak 994 volume 15.50009 ppm1 0.301 ppm2 1.457 ! ############### C13_CNnoesy_manual.995 folded + assi (attr store1 < 1.379 and attr store1 > 1.279 ) ((attr store1 < 0.33 and attr store1 > 0.27 ) and (bondedto (attr store1 < 117.114722631 and attr store1 > 116.314722631 ) or bondedto (attr store1 < 69.372 and attr store1 > 68.572 ) or bondedto (attr store1 < 21.6292773688 and attr store1 > 20.8292773688 ))) 6 0.1 0.1 peak 995 volume 15.92096 ppm1 0.300 ppm2 1.329 ! ############### C13_CNnoesy_manual.996 folded + assi (attr store1 < 0.873 and attr store1 > 0.773 ) ((attr store1 < 0.332 and attr store1 > 0.272 ) and (bondedto (attr store1 < 117.095722631 and attr store1 > 116.295722631 ) or bondedto (attr store1 < 69.353 and attr store1 > 68.553 ) or bondedto (attr store1 < 21.6102773688 and attr store1 > 20.8102773688 ))) 6 0.1 0.1 peak 996 volume 81.69998 ppm1 0.302 ppm2 0.823 ! ############### C13_CNnoesy_manual.997 folded + assi (attr store1 < 0.352 and attr store1 > 0.252 ) ((attr store1 < 0.332 and attr store1 > 0.272 ) and (bondedto (attr store1 < 117.113722631 and attr store1 > 116.313722631 ) or bondedto (attr store1 < 69.371 and attr store1 > 68.571 ) or bondedto (attr store1 < 21.6282773688 and attr store1 > 20.8282773688 ))) 6 0.1 0.1 peak 997 volume 110.91553 ppm1 0.302 ppm2 0.302 ! ############### C13_CNnoesy_manual.998 folded - assi (attr store1 < 0.809 and attr store1 > 0.709 ) ((attr store1 < 4.311 and attr store1 > 4.251 ) and (bondedto (attr store1 < 140.970083947 and attr store1 > 140.170083947 ) or bondedto (attr store1 < 45.4846386844 and attr store1 > 44.6846386844 ))) 6 0.1 0.1 peak 998 volume 7.55376 ppm1 4.281 ppm2 0.759 ! ############### C13_CNnoesy_manual.999 folded + assi (attr store1 < 8.239 and attr store1 > 8.139 ) ((attr store1 < 8.226 and attr store1 > 8.166 ) and (bondedto (attr store1 < 117.072722631 and attr store1 > 116.272722631 ) or bondedto (attr store1 < 69.33 and attr store1 > 68.53 ) or bondedto (attr store1 < 21.5872773688 and attr store1 > 20.7872773688 ))) 6 0.1 0.1 peak 999 volume 6.61253 ppm1 8.196 ppm2 8.189 ! ############### C13_CNnoesy_manual.1000 folded + assi (attr store1 < 8.226 and attr store1 > 8.126 ) ((attr store1 < 8.201 and attr store1 > 8.141 ) and (bondedto (attr store1 < 117.041722631 and attr store1 > 116.241722631 ) or bondedto (attr store1 < 69.299 and attr store1 > 68.499 ) or bondedto (attr store1 < 21.5562773688 and attr store1 > 20.7562773688 ))) 6 0.1 0.1 peak 1000 volume 8.18019 ppm1 8.171 ppm2 8.176 ! ############### C13_CNnoesy_manual.1001 folded + assi (attr store1 < 2.983 and attr store1 > 2.883 ) ((attr store1 < 2.932 and attr store1 > 2.872 ) and (bondedto (attr store1 < 117.031722631 and attr store1 > 116.231722631 ) or bondedto (attr store1 < 69.289 and attr store1 > 68.489 ) or bondedto (attr store1 < 21.5462773688 and attr store1 > 20.7462773688 ))) 6 0.1 0.1 peak 1001 volume 12.70063 ppm1 2.902 ppm2 2.933 ! ############### C13_CNnoesy_manual.1002 folded + assi (attr store1 < 1.086 and attr store1 > 0.986 ) ((attr store1 < 0.894 and attr store1 > 0.834 ) and (bondedto (attr store1 < 117.029722631 and attr store1 > 116.229722631 ) or bondedto (attr store1 < 69.287 and attr store1 > 68.487 ) or bondedto (attr store1 < 21.5442773688 and attr store1 > 20.7442773688 ))) 6 0.1 0.1 peak 1002 volume 95.31699 ppm1 0.864 ppm2 1.036 ! ############### C13_CNnoesy_manual.1003 folded - assi (attr store1 < 4.323 and attr store1 > 4.223 ) ((attr store1 < 8.631 and attr store1 > 8.571 ) and (bondedto (attr store1 < 140.915083947 and attr store1 > 140.115083947 ) or bondedto (attr store1 < 45.4296386844 and attr store1 > 44.6296386844 ))) 6 0.1 0.1 peak 1003 volume 8.41199 ppm1 8.601 ppm2 4.273 ! ############### C13_CNnoesy_manual.1004 folded - assi (attr store1 < 3.684 and attr store1 > 3.584 ) ((attr store1 < 8.631 and attr store1 > 8.571 ) and (bondedto (attr store1 < 140.923083947 and attr store1 > 140.123083947 ) or bondedto (attr store1 < 45.4376386844 and attr store1 > 44.6376386844 ))) 6 0.1 0.1 peak 1004 volume 5.75736 ppm1 8.601 ppm2 3.634 ! ############### C13_CNnoesy_manual.1005 folded - assi (attr store1 < 2.088 and attr store1 > 1.988 ) ((attr store1 < 4.32 and attr store1 > 4.26 ) and (bondedto (attr store1 < 140.928083947 and attr store1 > 140.128083947 ) or bondedto (attr store1 < 45.4426386844 and attr store1 > 44.6426386844 ))) 6 0.1 0.1 peak 1005 volume 5.84973 ppm1 4.290 ppm2 2.038 ! ############### C13_CNnoesy_manual.1006 folded - assi (attr store1 < 8.649 and attr store1 > 8.549 ) ((attr store1 < 4.307 and attr store1 > 4.247 ) and (bondedto (attr store1 < 140.910083947 and attr store1 > 140.110083947 ) or bondedto (attr store1 < 45.4246386844 and attr store1 > 44.6246386844 ))) 6 0.1 0.1 peak 1006 volume 7.13147 ppm1 4.277 ppm2 8.599 ! ############### C13_CNnoesy_manual.1007 folded - assi (attr store1 < 7.748 and attr store1 > 7.648 ) ((attr store1 < 4.31 and attr store1 > 4.25 ) and (bondedto (attr store1 < 140.956083947 and attr store1 > 140.156083947 ) or bondedto (attr store1 < 45.4706386844 and attr store1 > 44.6706386844 ))) 6 0.1 0.1 peak 1007 volume 13.50823 ppm1 4.280 ppm2 7.698 ! ############### C13_CNnoesy_manual.1008 folded - assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 4.31 and attr store1 > 4.25 ) and (bondedto (attr store1 < 140.943083947 and attr store1 > 140.143083947 ) or bondedto (attr store1 < 45.4576386844 and attr store1 > 44.6576386844 ))) 6 0.1 0.1 peak 1008 volume 16.02768 ppm1 4.280 ppm2 4.840 ! ############### C13_CNnoesy_manual.1009 folded - assi (attr store1 < 4.325 and attr store1 > 4.225 ) ((attr store1 < 4.307 and attr store1 > 4.247 ) and (bondedto (attr store1 < 140.916083947 and attr store1 > 140.116083947 ) or bondedto (attr store1 < 45.4306386844 and attr store1 > 44.6306386844 ))) 6 0.1 0.1 peak 1009 volume 302.7269 ppm1 4.277 ppm2 4.275 ! ############### C13_CNnoesy_manual.1010 folded - assi (attr store1 < 3.68 and attr store1 > 3.58 ) ((attr store1 < 4.307 and attr store1 > 4.247 ) and (bondedto (attr store1 < 140.905083947 and attr store1 > 140.105083947 ) or bondedto (attr store1 < 45.4196386844 and attr store1 > 44.6196386844 ))) 6 0.1 0.1 peak 1010 volume 238.70091 ppm1 4.277 ppm2 3.630 ! ############### C13_CNnoesy_manual.1011 folded - assi (attr store1 < 1.623 and attr store1 > 1.523 ) ((attr store1 < 4.306 and attr store1 > 4.246 ) and (bondedto (attr store1 < 140.901083947 and attr store1 > 140.101083947 ) or bondedto (attr store1 < 45.4156386844 and attr store1 > 44.6156386844 ))) 6 0.1 0.1 peak 1011 volume 15.8576 ppm1 4.276 ppm2 1.573 ! ############### C13_CNnoesy_manual.1012 folded - assi (attr store1 < 8.647 and attr store1 > 8.547 ) ((attr store1 < 3.663 and attr store1 > 3.603 ) and (bondedto (attr store1 < 140.905083947 and attr store1 > 140.105083947 ) or bondedto (attr store1 < 45.4196386844 and attr store1 > 44.6196386844 ))) 6 0.1 0.1 peak 1012 volume 7.6409 ppm1 3.633 ppm2 8.597 ! ############### C13_CNnoesy_manual.1013 folded - assi (attr store1 < 1.614 and attr store1 > 1.514 ) ((attr store1 < 3.663 and attr store1 > 3.603 ) and (bondedto (attr store1 < 140.928083947 and attr store1 > 140.128083947 ) or bondedto (attr store1 < 45.4426386844 and attr store1 > 44.6426386844 ))) 6 0.1 0.1 peak 1013 volume 10.93045 ppm1 3.633 ppm2 1.564 ! ############### C13_CNnoesy_manual.1014 folded - assi (attr store1 < 7.754 and attr store1 > 7.654 ) ((attr store1 < 3.661 and attr store1 > 3.601 ) and (bondedto (attr store1 < 140.901083947 and attr store1 > 140.101083947 ) or bondedto (attr store1 < 45.4156386844 and attr store1 > 44.6156386844 ))) 6 0.1 0.1 peak 1014 volume 11.49442 ppm1 3.631 ppm2 7.704 ! ############### C13_CNnoesy_manual.1015 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 3.657 and attr store1 > 3.597 ) and (bondedto (attr store1 < 140.918083947 and attr store1 > 140.118083947 ) or bondedto (attr store1 < 45.4326386844 and attr store1 > 44.6326386844 ))) 6 0.1 0.1 peak 1015 volume 25.11015 ppm1 3.627 ppm2 4.839 ! ############### C13_CNnoesy_manual.1016 folded - assi (attr store1 < 4.328 and attr store1 > 4.228 ) ((attr store1 < 3.66 and attr store1 > 3.6 ) and (bondedto (attr store1 < 140.904083947 and attr store1 > 140.104083947 ) or bondedto (attr store1 < 45.4186386844 and attr store1 > 44.6186386844 ))) 6 0.1 0.1 peak 1016 volume 246.93413 ppm1 3.630 ppm2 4.278 ! ############### C13_CNnoesy_manual.1017 folded - assi (attr store1 < 3.68 and attr store1 > 3.58 ) ((attr store1 < 3.66 and attr store1 > 3.6 ) and (bondedto (attr store1 < 140.901083947 and attr store1 > 140.101083947 ) or bondedto (attr store1 < 45.4156386844 and attr store1 > 44.6156386844 ))) 6 0.1 0.1 peak 1017 volume 288.26611 ppm1 3.630 ppm2 3.630 ! ############### C13_CNnoesy_manual.1018 folded - assi (attr store1 < 0.789 and attr store1 > 0.689 ) ((attr store1 < 3.649 and attr store1 > 3.589 ) and (bondedto (attr store1 < 140.890083947 and attr store1 > 140.090083947 ) or bondedto (attr store1 < 45.4046386844 and attr store1 > 44.6046386844 ))) 6 0.1 0.1 peak 1018 volume 6.08 ppm1 3.619 ppm2 0.739 ! ############### C13_CNnoesy_manual.1019 folded - assi (attr store1 < 2.864 and attr store1 > 2.764 ) ((attr store1 < 2.848 and attr store1 > 2.788 ) and (bondedto (attr store1 < 140.887083947 and attr store1 > 140.087083947 ) or bondedto (attr store1 < 45.4016386844 and attr store1 > 44.6016386844 ))) 6 0.1 0.1 peak 1019 volume 68.95245 ppm1 2.818 ppm2 2.814 ! ############### C13_CNnoesy_manual.1020 folded + assi (attr store1 < 7.896 and attr store1 > 7.796 ) ((attr store1 < 0.896 and attr store1 > 0.836 ) and (bondedto (attr store1 < 116.912722631 and attr store1 > 116.112722631 ) or bondedto (attr store1 < 69.17 and attr store1 > 68.37 ) or bondedto (attr store1 < 21.4272773688 and attr store1 > 20.6272773688 ))) 6 0.1 0.1 peak 1020 volume 16.88375 ppm1 0.866 ppm2 7.846 ! ############### C13_CNnoesy_manual.1021 folded + assi (attr store1 < 7.265 and attr store1 > 7.165 ) ((attr store1 < 0.896 and attr store1 > 0.836 ) and (bondedto (attr store1 < 116.927722631 and attr store1 > 116.127722631 ) or bondedto (attr store1 < 69.185 and attr store1 > 68.385 ) or bondedto (attr store1 < 21.4422773688 and attr store1 > 20.6422773688 ))) 6 0.1 0.1 peak 1021 volume 6.40302 ppm1 0.866 ppm2 7.215 ! ############### C13_CNnoesy_manual.1022 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 0.893 and attr store1 > 0.833 ) and (bondedto (attr store1 < 116.933722631 and attr store1 > 116.133722631 ) or bondedto (attr store1 < 69.191 and attr store1 > 68.391 ) or bondedto (attr store1 < 21.4482773688 and attr store1 > 20.6482773688 ))) 6 0.1 0.1 peak 1022 volume 62.36773 ppm1 0.863 ppm2 4.839 ! ############### C13_CNnoesy_manual.1023 folded + assi (attr store1 < 4.214 and attr store1 > 4.114 ) ((attr store1 < 0.894 and attr store1 > 0.834 ) and (bondedto (attr store1 < 116.951722631 and attr store1 > 116.151722631 ) or bondedto (attr store1 < 69.209 and attr store1 > 68.409 ) or bondedto (attr store1 < 21.4662773688 and attr store1 > 20.6662773688 ))) 6 0.1 0.1 peak 1023 volume 46.19568 ppm1 0.864 ppm2 4.164 ! ############### C13_CNnoesy_manual.1024 folded + assi (attr store1 < 3.929 and attr store1 > 3.829 ) ((attr store1 < 0.894 and attr store1 > 0.834 ) and (bondedto (attr store1 < 116.916722631 and attr store1 > 116.116722631 ) or bondedto (attr store1 < 69.174 and attr store1 > 68.374 ) or bondedto (attr store1 < 21.4312773688 and attr store1 > 20.6312773688 ))) 6 0.1 0.1 peak 1024 volume 93.39642 ppm1 0.864 ppm2 3.879 ! ############### C13_CNnoesy_manual.1025 folded + assi (attr store1 < 1.185 and attr store1 > 1.085 ) ((attr store1 < 0.891 and attr store1 > 0.831 ) and (bondedto (attr store1 < 116.967722631 and attr store1 > 116.167722631 ) or bondedto (attr store1 < 69.225 and attr store1 > 68.425 ) or bondedto (attr store1 < 21.4822773688 and attr store1 > 20.6822773688 ))) 6 0.1 0.1 peak 1025 volume 30.78896 ppm1 0.861 ppm2 1.135 ! ############### C13_CNnoesy_manual.1026 folded + assi (attr store1 < 0.915 and attr store1 > 0.815 ) ((attr store1 < 0.895 and attr store1 > 0.835 ) and (bondedto (attr store1 < 116.920722631 and attr store1 > 116.120722631 ) or bondedto (attr store1 < 69.178 and attr store1 > 68.378 ) or bondedto (attr store1 < 21.4352773688 and attr store1 > 20.6352773688 ))) 6 0.1 0.1 peak 1026 volume 4813.88721 ppm1 0.865 ppm2 0.865 ! ############### C13_CNnoesy_manual.1027 folded + assi (attr store1 < 0.744 and attr store1 > 0.644 ) ((attr store1 < 0.893 and attr store1 > 0.833 ) and (bondedto (attr store1 < 116.924722631 and attr store1 > 116.124722631 ) or bondedto (attr store1 < 69.182 and attr store1 > 68.382 ) or bondedto (attr store1 < 21.4392773688 and attr store1 > 20.6392773688 ))) 6 0.1 0.1 peak 1027 volume 66.81905 ppm1 0.863 ppm2 0.694 ! ############### C13_CNnoesy_manual.1028 folded + assi (attr store1 < 0.643 and attr store1 > 0.543 ) ((attr store1 < 0.889 and attr store1 > 0.829 ) and (bondedto (attr store1 < 116.924722631 and attr store1 > 116.124722631 ) or bondedto (attr store1 < 69.182 and attr store1 > 68.382 ) or bondedto (attr store1 < 21.4392773688 and attr store1 > 20.6392773688 ))) 6 0.1 0.1 peak 1028 volume 19.96437 ppm1 0.859 ppm2 0.593 ! ############### C13_CNnoesy_manual.1029 folded + assi (attr store1 < 1.284 and attr store1 > 1.184 ) ((attr store1 < 0.886 and attr store1 > 0.826 ) and (bondedto (attr store1 < 116.976722631 and attr store1 > 116.176722631 ) or bondedto (attr store1 < 69.234 and attr store1 > 68.434 ) or bondedto (attr store1 < 21.4912773688 and attr store1 > 20.6912773688 ))) 6 0.1 0.1 peak 1029 volume 20.04290 ppm1 0.856 ppm2 1.234 ! ############### C13_CNnoesy_manual.1030 folded + assi (attr store1 < 0.541 and attr store1 > 0.441 ) ((attr store1 < 0.884 and attr store1 > 0.824 ) and (bondedto (attr store1 < 116.903722631 and attr store1 > 116.103722631 ) or bondedto (attr store1 < 69.161 and attr store1 > 68.361 ) or bondedto (attr store1 < 21.4182773688 and attr store1 > 20.6182773688 ))) 6 0.1 0.1 peak 1030 volume 11.84902 ppm1 0.854 ppm2 0.491 ! ############### C13_CNnoesy_manual.1031 folded - assi (attr store1 < 7.355 and attr store1 > 7.255 ) ((attr store1 < 7.616 and attr store1 > 7.556 ) and (bondedto (attr store1 < 140.832083947 and attr store1 > 140.032083947 ) or bondedto (attr store1 < 45.3466386844 and attr store1 > 44.5466386844 ))) 6 0.1 0.1 peak 1031 volume 5.72461 ppm1 7.586 ppm2 7.305 ! ############### C13_CNnoesy_manual.1032 folded - assi (attr store1 < 2.486 and attr store1 > 2.386 ) ((attr store1 < 2.455 and attr store1 > 2.395 ) and (bondedto (attr store1 < 140.782083947 and attr store1 > 139.982083947 ) or bondedto (attr store1 < 45.2966386844 and attr store1 > 44.4966386844 ))) 6 0.1 0.1 peak 1032 volume 9.1311 ppm1 2.425 ppm2 2.436 ! ############### C13_CNnoesy_manual.1033 folded - assi (attr store1 < 2.196 and attr store1 > 2.096 ) ((attr store1 < 2.173 and attr store1 > 2.113 ) and (bondedto (attr store1 < 140.779083947 and attr store1 > 139.979083947 ) or bondedto (attr store1 < 45.2936386844 and attr store1 > 44.4936386844 ))) 6 0.1 0.1 peak 1033 volume 50.95552 ppm1 2.143 ppm2 2.146 ! ############### C13_CNnoesy_manual.1034 folded - assi (attr store1 < 2.07 and attr store1 > 1.97 ) ((attr store1 < 2.102 and attr store1 > 2.042 ) and (bondedto (attr store1 < 140.792083947 and attr store1 > 139.992083947 ) or bondedto (attr store1 < 45.3066386844 and attr store1 > 44.5066386844 ))) 6 0.1 0.1 peak 1034 volume 6.81552 ppm1 2.072 ppm2 2.020 ! ############### C13_CNnoesy_manual.1035 folded - assi (attr store1 < 1.909 and attr store1 > 1.809 ) ((attr store1 < 1.908 and attr store1 > 1.848 ) and (bondedto (attr store1 < 140.795083947 and attr store1 > 139.995083947 ) or bondedto (attr store1 < 45.3096386844 and attr store1 > 44.5096386844 ))) 6 0.1 0.1 peak 1035 volume 13.23333 ppm1 1.878 ppm2 1.859 ! ############### C13_CNnoesy_manual.1036 folded - assi (attr store1 < 1.608 and attr store1 > 1.508 ) ((attr store1 < 1.594 and attr store1 > 1.534 ) and (bondedto (attr store1 < 140.775083947 and attr store1 > 139.975083947 ) or bondedto (attr store1 < 45.2896386844 and attr store1 > 44.4896386844 ))) 6 0.1 0.1 peak 1036 volume 292.90927 ppm1 1.564 ppm2 1.558 ! ############### C13_CNnoesy_manual.1037 folded - assi (attr store1 < 0.14 and attr store1 > 0.04 ) ((attr store1 < 0.123 and attr store1 > 0.063 ) and (bondedto (attr store1 < 140.845083947 and attr store1 > 140.045083947 ) or bondedto (attr store1 < 45.3596386844 and attr store1 > 44.5596386844 ))) 6 0.1 0.1 peak 1037 volume 16.95426 ppm1 0.093 ppm2 0.090 ! ############### C13_CNnoesy_manual.1038 folded + assi (attr store1 < 8.013 and attr store1 > 7.913 ) ((attr store1 < 7.993 and attr store1 > 7.933 ) and (bondedto (attr store1 < 116.892722631 and attr store1 > 116.092722631 ) or bondedto (attr store1 < 69.15 and attr store1 > 68.35 ) or bondedto (attr store1 < 21.4072773688 and attr store1 > 20.6072773688 ))) 6 0.1 0.1 peak 1038 volume 37.44094 ppm1 7.963 ppm2 7.963 ! ############### C13_CNnoesy_manual.1039 folded + assi (attr store1 < 4.552 and attr store1 > 4.452 ) ((attr store1 < 0.894 and attr store1 > 0.834 ) and (bondedto (attr store1 < 116.893722631 and attr store1 > 116.093722631 ) or bondedto (attr store1 < 69.151 and attr store1 > 68.351 ) or bondedto (attr store1 < 21.4082773688 and attr store1 > 20.6082773688 ))) 6 0.1 0.1 peak 1039 volume 17.41663 ppm1 0.864 ppm2 4.502 ! ############### C13_CNnoesy_manual.1040 folded - assi (attr store1 < 7.65 and attr store1 > 7.55 ) ((attr store1 < 7.622 and attr store1 > 7.562 ) and (bondedto (attr store1 < 140.759083947 and attr store1 > 139.959083947 ) or bondedto (attr store1 < 45.2736386844 and attr store1 > 44.4736386844 ))) 6 0.1 0.1 peak 1040 volume 25.29864 ppm1 7.592 ppm2 7.600 ! ############### C13_CNnoesy_manual.1041 folded + assi (attr store1 < 7.309 and attr store1 > 7.209 ) ((attr store1 < 6.773 and attr store1 > 6.713 ) and (bondedto (attr store1 < 116.685722631 and attr store1 > 115.885722631 ) or bondedto (attr store1 < 68.943 and attr store1 > 68.143 ) or bondedto (attr store1 < 21.2002773688 and attr store1 > 20.4002773688 ))) 6 0.1 0.1 peak 1041 volume 7.89374 ppm1 6.743 ppm2 7.259 ! ############### C13_CNnoesy_manual.1042 folded + assi (attr store1 < 6.766 and attr store1 > 6.666 ) ((attr store1 < 6.749 and attr store1 > 6.689 ) and (bondedto (attr store1 < 116.635722631 and attr store1 > 115.835722631 ) or bondedto (attr store1 < 68.893 and attr store1 > 68.093 ) or bondedto (attr store1 < 21.1502773688 and attr store1 > 20.3502773688 ))) 6 0.1 0.1 peak 1042 volume 81.79267 ppm1 6.719 ppm2 6.716 ! ############### C13_CNnoesy_manual.1043 folded + assi (attr store1 < 4.545 and attr store1 > 4.445 ) ((attr store1 < 1.497 and attr store1 > 1.437 ) and (bondedto (attr store1 < 116.698722631 and attr store1 > 115.898722631 ) or bondedto (attr store1 < 68.956 and attr store1 > 68.156 ) or bondedto (attr store1 < 21.2132773688 and attr store1 > 20.4132773688 ))) 6 0.1 0.1 peak 1043 volume 7.11569 ppm1 1.467 ppm2 4.495 ! ############### C13_CNnoesy_manual.1044 folded + assi (attr store1 < 4.885 and attr store1 > 4.785 ) ((attr store1 < 1.05 and attr store1 > 0.99 ) and (bondedto (attr store1 < 116.644722631 and attr store1 > 115.844722631 ) or bondedto (attr store1 < 68.902 and attr store1 > 68.102 ) or bondedto (attr store1 < 21.1592773688 and attr store1 > 20.3592773688 ))) 6 0.1 0.1 peak 1044 volume 8.85778 ppm1 1.020 ppm2 4.835 ! ############### C13_CNnoesy_manual.1045 folded + assi (attr store1 < 7.901 and attr store1 > 7.801 ) ((attr store1 < 7.893 and attr store1 > 7.833 ) and (bondedto (attr store1 < 116.540722631 and attr store1 > 115.740722631 ) or bondedto (attr store1 < 68.798 and attr store1 > 67.998 ) or bondedto (attr store1 < 21.0552773688 and attr store1 > 20.2552773688 ))) 6 0.1 0.1 peak 1045 volume 14.30244 ppm1 7.863 ppm2 7.851 ! ############### C13_CNnoesy_manual.1046 folded + assi (attr store1 < 7.085 and attr store1 > 6.985 ) ((attr store1 < 6.741 and attr store1 > 6.681 ) and (bondedto (attr store1 < 116.587722631 and attr store1 > 115.787722631 ) or bondedto (attr store1 < 68.845 and attr store1 > 68.045 ) or bondedto (attr store1 < 21.1022773688 and attr store1 > 20.3022773688 ))) 6 0.1 0.1 peak 1046 volume 12.49742 ppm1 6.711 ppm2 7.035 ! ############### C13_CNnoesy_manual.1047 folded + assi (attr store1 < 6.608 and attr store1 > 6.508 ) ((attr store1 < 6.587 and attr store1 > 6.527 ) and (bondedto (attr store1 < 116.586722631 and attr store1 > 115.786722631 ) or bondedto (attr store1 < 68.844 and attr store1 > 68.044 ) or bondedto (attr store1 < 21.1012773688 and attr store1 > 20.3012773688 ))) 6 0.1 0.1 peak 1047 volume 26.32358 ppm1 6.557 ppm2 6.558 ! ############### C13_CNnoesy_manual.1048 folded + assi (attr store1 < 1.522 and attr store1 > 1.422 ) ((attr store1 < 1.501 and attr store1 > 1.441 ) and (bondedto (attr store1 < 116.575722631 and attr store1 > 115.775722631 ) or bondedto (attr store1 < 68.833 and attr store1 > 68.033 ) or bondedto (attr store1 < 21.0902773688 and attr store1 > 20.2902773688 ))) 6 0.1 0.1 peak 1048 volume 248.35355 ppm1 1.471 ppm2 1.472 ! ############### C13_CNnoesy_manual.1049 folded - assi (attr store1 < 0.798 and attr store1 > 0.698 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 140.478083947 and attr store1 > 139.678083947 ) or bondedto (attr store1 < 44.9926386844 and attr store1 > 44.1926386844 ))) 6 0.1 0.1 peak 1049 volume 55.16959 ppm1 0.749 ppm2 0.748 ! ############### C13_CNnoesy_manual.1050 folded + assi (attr store1 < 7.897 and attr store1 > 7.797 ) ((attr store1 < 7.866 and attr store1 > 7.806 ) and (bondedto (attr store1 < 116.513722631 and attr store1 > 115.713722631 ) or bondedto (attr store1 < 68.771 and attr store1 > 67.971 ) or bondedto (attr store1 < 21.0282773688 and attr store1 > 20.2282773688 ))) 6 0.1 0.1 peak 1050 volume 13.59270 ppm1 7.836 ppm2 7.847 ! ############### C13_CNnoesy_manual.1051 folded + assi (attr store1 < 7.351 and attr store1 > 7.251 ) ((attr store1 < 7.336 and attr store1 > 7.276 ) and (bondedto (attr store1 < 116.483722631 and attr store1 > 115.683722631 ) or bondedto (attr store1 < 68.741 and attr store1 > 67.941 ) or bondedto (attr store1 < 20.9982773688 and attr store1 > 20.1982773688 ))) 6 0.1 0.1 peak 1051 volume 12.95948 ppm1 7.306 ppm2 7.301 ! ############### C13_CNnoesy_manual.1052 folded + assi (attr store1 < 7.08 and attr store1 > 6.98 ) ((attr store1 < 7.059 and attr store1 > 6.999 ) and (bondedto (attr store1 < 116.509722631 and attr store1 > 115.709722631 ) or bondedto (attr store1 < 68.767 and attr store1 > 67.967 ) or bondedto (attr store1 < 21.0242773688 and attr store1 > 20.2242773688 ))) 6 0.1 0.1 peak 1052 volume 31.24801 ppm1 7.029 ppm2 7.030 ! ############### C13_CNnoesy_manual.1053 folded + assi (attr store1 < 2.873 and attr store1 > 2.773 ) ((attr store1 < 2.845 and attr store1 > 2.785 ) and (bondedto (attr store1 < 116.489722631 and attr store1 > 115.689722631 ) or bondedto (attr store1 < 68.747 and attr store1 > 67.947 ) or bondedto (attr store1 < 21.0042773688 and attr store1 > 20.2042773688 ))) 6 0.1 0.1 peak 1053 volume 42.67570 ppm1 2.815 ppm2 2.823 ! ############### C13_CNnoesy_manual.1054 folded + assi (attr store1 < 2.635 and attr store1 > 2.535 ) ((attr store1 < 2.625 and attr store1 > 2.565 ) and (bondedto (attr store1 < 116.505722631 and attr store1 > 115.705722631 ) or bondedto (attr store1 < 68.763 and attr store1 > 67.963 ) or bondedto (attr store1 < 21.0202773688 and attr store1 > 20.2202773688 ))) 6 0.1 0.1 peak 1054 volume 7.36853 ppm1 2.595 ppm2 2.585 ! ############### C13_CNnoesy_manual.1055 folded + assi (attr store1 < 1.162 and attr store1 > 1.062 ) ((attr store1 < 1.139 and attr store1 > 1.079 ) and (bondedto (attr store1 < 116.434722631 and attr store1 > 115.634722631 ) or bondedto (attr store1 < 68.692 and attr store1 > 67.892 ) or bondedto (attr store1 < 20.9492773688 and attr store1 > 20.1492773688 ))) 6 0.1 0.1 peak 1055 volume 99.97382 ppm1 1.109 ppm2 1.112 ! ############### C13_CNnoesy_manual.1056 folded + assi (attr store1 < 0.136 and attr store1 > 0.036 ) ((attr store1 < 0.119 and attr store1 > 0.059 ) and (bondedto (attr store1 < 116.441722631 and attr store1 > 115.641722631 ) or bondedto (attr store1 < 68.699 and attr store1 > 67.899 ) or bondedto (attr store1 < 20.9562773688 and attr store1 > 20.1562773688 ))) 6 0.1 0.1 peak 1056 volume 12.47865 ppm1 0.089 ppm2 0.086 ! ############### C13_CNnoesy_manual.1057 folded - assi (attr store1 < 2.957 and attr store1 > 2.857 ) ((attr store1 < 2.937 and attr store1 > 2.877 ) and (bondedto (attr store1 < 140.392083947 and attr store1 > 139.592083947 ) or bondedto (attr store1 < 44.9066386844 and attr store1 > 44.1066386844 ))) 6 0.1 0.1 peak 1057 volume 29.90945 ppm1 2.907 ppm2 2.907 ! ############### C13_CNnoesy_manual.1058 folded - assi (attr store1 < 2.532 and attr store1 > 2.432 ) ((attr store1 < 2.512 and attr store1 > 2.452 ) and (bondedto (attr store1 < 140.355083947 and attr store1 > 139.555083947 ) or bondedto (attr store1 < 44.8696386844 and attr store1 > 44.0696386844 ))) 6 0.1 0.1 peak 1058 volume 8.41607 ppm1 2.482 ppm2 2.482 ! ############### C13_CNnoesy_manual.1059 folded - assi (attr store1 < 1.326 and attr store1 > 1.226 ) ((attr store1 < 1.31 and attr store1 > 1.25 ) and (bondedto (attr store1 < 140.390083947 and attr store1 > 139.590083947 ) or bondedto (attr store1 < 44.9046386844 and attr store1 > 44.1046386844 ))) 6 0.1 0.1 peak 1059 volume 44.13292 ppm1 1.280 ppm2 1.276 ! ############### C13_CNnoesy_manual.1060 folded + assi (attr store1 < 2.036 and attr store1 > 1.936 ) ((attr store1 < 2.019 and attr store1 > 1.959 ) and (bondedto (attr store1 < 116.350722631 and attr store1 > 115.550722631 ) or bondedto (attr store1 < 68.608 and attr store1 > 67.808 ) or bondedto (attr store1 < 20.8652773688 and attr store1 > 20.0652773688 ))) 6 0.1 0.1 peak 1060 volume 20.40257 ppm1 1.989 ppm2 1.986 ! ############### C13_CNnoesy_manual.1061 folded + assi (attr store1 < 1.95 and attr store1 > 1.85 ) ((attr store1 < 1.947 and attr store1 > 1.887 ) and (bondedto (attr store1 < 116.401722631 and attr store1 > 115.601722631 ) or bondedto (attr store1 < 68.659 and attr store1 > 67.859 ) or bondedto (attr store1 < 20.9162773688 and attr store1 > 20.1162773688 ))) 6 0.1 0.1 peak 1061 volume 28.14288 ppm1 1.917 ppm2 1.900 ! ############### C13_CNnoesy_manual.1062 folded - assi (attr store1 < 4.381 and attr store1 > 4.281 ) ((attr store1 < 8.033 and attr store1 > 7.973 ) and (bondedto (attr store1 < 140.242083947 and attr store1 > 139.442083947 ) or bondedto (attr store1 < 44.7566386844 and attr store1 > 43.9566386844 ))) 6 0.1 0.1 peak 1062 volume 8.15354 ppm1 8.003 ppm2 4.331 ! ############### C13_CNnoesy_manual.1063 folded - assi (attr store1 < 4.131 and attr store1 > 4.031 ) ((attr store1 < 8.033 and attr store1 > 7.973 ) and (bondedto (attr store1 < 140.213083947 and attr store1 > 139.413083947 ) or bondedto (attr store1 < 44.7276386844 and attr store1 > 43.9276386844 ))) 6 0.1 0.1 peak 1063 volume 9.04068 ppm1 8.003 ppm2 4.081 ! ############### C13_CNnoesy_manual.1064 folded - assi (attr store1 < 2.021 and attr store1 > 1.921 ) ((attr store1 < 4.351 and attr store1 > 4.291 ) and (bondedto (attr store1 < 140.227083947 and attr store1 > 139.427083947 ) or bondedto (attr store1 < 44.7416386844 and attr store1 > 43.9416386844 ))) 6 0.1 0.1 peak 1064 volume 6.11638 ppm1 4.321 ppm2 1.971 ! ############### C13_CNnoesy_manual.1065 folded - assi (attr store1 < 0.834 and attr store1 > 0.734 ) ((attr store1 < 4.34 and attr store1 > 4.28 ) and (bondedto (attr store1 < 140.293083947 and attr store1 > 139.493083947 ) or bondedto (attr store1 < 44.8076386844 and attr store1 > 44.0076386844 ))) 6 0.1 0.1 peak 1065 volume 5.5302 ppm1 4.310 ppm2 0.784 ! ############### C13_CNnoesy_manual.1066 folded - assi (attr store1 < 8.054 and attr store1 > 7.954 ) ((attr store1 < 4.112 and attr store1 > 4.052 ) and (bondedto (attr store1 < 140.219083947 and attr store1 > 139.419083947 ) or bondedto (attr store1 < 44.7336386844 and attr store1 > 43.9336386844 ))) 6 0.1 0.1 peak 1066 volume 32.84691 ppm1 4.082 ppm2 8.004 ! ############### C13_CNnoesy_manual.1067 folded - assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 4.11 and attr store1 > 4.05 ) and (bondedto (attr store1 < 140.213083947 and attr store1 > 139.413083947 ) or bondedto (attr store1 < 44.7276386844 and attr store1 > 43.9276386844 ))) 6 0.1 0.1 peak 1067 volume 17.94914 ppm1 4.080 ppm2 4.838 ! ############### C13_CNnoesy_manual.1068 folded - assi (attr store1 < 4.131 and attr store1 > 4.031 ) ((attr store1 < 4.104 and attr store1 > 4.044 ) and (bondedto (attr store1 < 140.260083947 and attr store1 > 139.460083947 ) or bondedto (attr store1 < 44.7746386844 and attr store1 > 43.9746386844 ))) 6 0.1 0.1 peak 1068 volume 197.02097 ppm1 4.074 ppm2 4.081 ! ############### C13_CNnoesy_manual.1069 folded - assi (attr store1 < 0.97 and attr store1 > 0.87 ) ((attr store1 < 0.943 and attr store1 > 0.883 ) and (bondedto (attr store1 < 140.280083947 and attr store1 > 139.480083947 ) or bondedto (attr store1 < 44.7946386844 and attr store1 > 43.9946386844 ))) 6 0.1 0.1 peak 1069 volume 216.0349 ppm1 0.913 ppm2 0.920 ! ############### C13_CNnoesy_manual.1070 folded + assi (attr store1 < 7.621 and attr store1 > 7.521 ) ((attr store1 < 7.608 and attr store1 > 7.548 ) and (bondedto (attr store1 < 116.310722631 and attr store1 > 115.510722631 ) or bondedto (attr store1 < 68.568 and attr store1 > 67.768 ) or bondedto (attr store1 < 20.8252773688 and attr store1 > 20.0252773688 ))) 6 0.1 0.1 peak 1070 volume 17.24645 ppm1 7.578 ppm2 7.571 ! ############### C13_CNnoesy_manual.1071 folded + assi (attr store1 < 7.614 and attr store1 > 7.514 ) ((attr store1 < 7.578 and attr store1 > 7.518 ) and (bondedto (attr store1 < 116.313722631 and attr store1 > 115.513722631 ) or bondedto (attr store1 < 68.571 and attr store1 > 67.771 ) or bondedto (attr store1 < 20.8282773688 and attr store1 > 20.0282773688 ))) 6 0.1 0.1 peak 1071 volume 12.00572 ppm1 7.548 ppm2 7.564 ! ############### C13_CNnoesy_manual.1072 folded + assi (attr store1 < 7.226 and attr store1 > 7.126 ) ((attr store1 < 7.199 and attr store1 > 7.139 ) and (bondedto (attr store1 < 116.324722631 and attr store1 > 115.524722631 ) or bondedto (attr store1 < 68.582 and attr store1 > 67.782 ) or bondedto (attr store1 < 20.8392773688 and attr store1 > 20.0392773688 ))) 6 0.1 0.1 peak 1072 volume 5.66038 ppm1 7.169 ppm2 7.176 ! ############### C13_CNnoesy_manual.1073 folded + assi (attr store1 < 7.181 and attr store1 > 7.081 ) ((attr store1 < 7.19 and attr store1 > 7.13 ) and (bondedto (attr store1 < 116.334722631 and attr store1 > 115.534722631 ) or bondedto (attr store1 < 68.592 and attr store1 > 67.792 ) or bondedto (attr store1 < 20.8492773688 and attr store1 > 20.0492773688 ))) 6 0.1 0.1 peak 1073 volume 6.45758 ppm1 7.160 ppm2 7.131 ! ############### C13_CNnoesy_manual.1074 folded + assi (attr store1 < 1.95 and attr store1 > 1.85 ) ((attr store1 < 1.925 and attr store1 > 1.865 ) and (bondedto (attr store1 < 116.292722631 and attr store1 > 115.492722631 ) or bondedto (attr store1 < 68.55 and attr store1 > 67.75 ) or bondedto (attr store1 < 20.8072773688 and attr store1 > 20.0072773688 ))) 6 0.1 0.1 peak 1074 volume 41.76026 ppm1 1.895 ppm2 1.900 ! ############### C13_CNnoesy_manual.1075 folded + assi (attr store1 < 1.726 and attr store1 > 1.626 ) ((attr store1 < 1.703 and attr store1 > 1.643 ) and (bondedto (attr store1 < 116.333722631 and attr store1 > 115.533722631 ) or bondedto (attr store1 < 68.591 and attr store1 > 67.791 ) or bondedto (attr store1 < 20.8482773688 and attr store1 > 20.0482773688 ))) 6 0.1 0.1 peak 1075 volume 142.43289 ppm1 1.673 ppm2 1.676 ! ############### C13_CNnoesy_manual.1076 folded - assi (attr store1 < 4.372 and attr store1 > 4.272 ) ((attr store1 < 4.356 and attr store1 > 4.296 ) and (bondedto (attr store1 < 140.199083947 and attr store1 > 139.399083947 ) or bondedto (attr store1 < 44.7136386844 and attr store1 > 43.9136386844 ))) 6 0.1 0.1 peak 1076 volume 193.27818 ppm1 4.326 ppm2 4.322 ! ############### C13_CNnoesy_manual.1077 folded - assi (attr store1 < 8.498 and attr store1 > 8.398 ) ((attr store1 < 4.345 and attr store1 > 4.285 ) and (bondedto (attr store1 < 140.195083947 and attr store1 > 139.395083947 ) or bondedto (attr store1 < 44.7096386844 and attr store1 > 43.9096386844 ))) 6 0.1 0.1 peak 1077 volume 6.19511 ppm1 4.315 ppm2 8.448 ! ############### C13_CNnoesy_manual.1078 folded - assi (attr store1 < 8.051 and attr store1 > 7.951 ) ((attr store1 < 4.349 and attr store1 > 4.289 ) and (bondedto (attr store1 < 140.207083947 and attr store1 > 139.407083947 ) or bondedto (attr store1 < 44.7216386844 and attr store1 > 43.9216386844 ))) 6 0.1 0.1 peak 1078 volume 30.97436 ppm1 4.319 ppm2 8.001 ! ############### C13_CNnoesy_manual.1079 folded - assi (attr store1 < 4.885 and attr store1 > 4.785 ) ((attr store1 < 4.351 and attr store1 > 4.291 ) and (bondedto (attr store1 < 140.198083947 and attr store1 > 139.398083947 ) or bondedto (attr store1 < 44.7126386844 and attr store1 > 43.9126386844 ))) 6 0.1 0.1 peak 1079 volume 21.35628 ppm1 4.321 ppm2 4.835 ! ############### C13_CNnoesy_manual.1080 folded - assi (attr store1 < 4.13 and attr store1 > 4.03 ) ((attr store1 < 4.352 and attr store1 > 4.292 ) and (bondedto (attr store1 < 140.208083947 and attr store1 > 139.408083947 ) or bondedto (attr store1 < 44.7226386844 and attr store1 > 43.9226386844 ))) 6 0.1 0.1 peak 1080 volume 180.45523 ppm1 4.322 ppm2 4.080 ! ############### C13_CNnoesy_manual.1081 folded - assi (attr store1 < 4.372 and attr store1 > 4.272 ) ((attr store1 < 4.11 and attr store1 > 4.05 ) and (bondedto (attr store1 < 140.206083947 and attr store1 > 139.406083947 ) or bondedto (attr store1 < 44.7206386844 and attr store1 > 43.9206386844 ))) 6 0.1 0.1 peak 1081 volume 173.41759 ppm1 4.080 ppm2 4.322 ! ############### C13_CNnoesy_manual.1082 folded - assi (attr store1 < 0.808 and attr store1 > 0.708 ) ((attr store1 < 4.113 and attr store1 > 4.053 ) and (bondedto (attr store1 < 140.190083947 and attr store1 > 139.390083947 ) or bondedto (attr store1 < 44.7046386844 and attr store1 > 43.9046386844 ))) 6 0.1 0.1 peak 1082 volume 5.89752 ppm1 4.083 ppm2 0.758 ! ############### C13_CNnoesy_manual.1083 folded - assi (attr store1 < 8.492 and attr store1 > 8.392 ) ((attr store1 < 4.104 and attr store1 > 4.044 ) and (bondedto (attr store1 < 140.186083947 and attr store1 > 139.386083947 ) or bondedto (attr store1 < 44.7006386844 and attr store1 > 43.9006386844 ))) 6 0.1 0.1 peak 1083 volume 6.10769 ppm1 4.074 ppm2 8.442 ! ############### C13_CNnoesy_manual.1084 folded - assi (attr store1 < 0.948 and attr store1 > 0.848 ) ((attr store1 < 0.924 and attr store1 > 0.864 ) and (bondedto (attr store1 < 140.201083947 and attr store1 > 139.401083947 ) or bondedto (attr store1 < 44.7156386844 and attr store1 > 43.9156386844 ))) 6 0.1 0.1 peak 1084 volume 214.02171 ppm1 0.894 ppm2 0.898 ! ############### C13_CNnoesy_manual.1085 folded + assi (attr store1 < 7.404 and attr store1 > 7.304 ) ((attr store1 < 7.407 and attr store1 > 7.347 ) and (bondedto (attr store1 < 116.203722631 and attr store1 > 115.403722631 ) or bondedto (attr store1 < 68.461 and attr store1 > 67.661 ) or bondedto (attr store1 < 20.7182773688 and attr store1 > 19.9182773688 ))) 6 0.1 0.1 peak 1085 volume 7.46611 ppm1 7.377 ppm2 7.354 ! ############### C13_CNnoesy_manual.1086 folded + assi (attr store1 < 3.238 and attr store1 > 3.138 ) ((attr store1 < 3.238 and attr store1 > 3.178 ) and (bondedto (attr store1 < 116.217722631 and attr store1 > 115.417722631 ) or bondedto (attr store1 < 68.475 and attr store1 > 67.675 ) or bondedto (attr store1 < 20.7322773688 and attr store1 > 19.9322773688 ))) 6 0.1 0.1 peak 1086 volume 11.58677 ppm1 3.208 ppm2 3.188 ! ############### C13_CNnoesy_manual.1087 folded + assi (attr store1 < 2.153 and attr store1 > 2.053 ) ((attr store1 < 2.161 and attr store1 > 2.101 ) and (bondedto (attr store1 < 116.157722631 and attr store1 > 115.357722631 ) or bondedto (attr store1 < 68.415 and attr store1 > 67.615 ) or bondedto (attr store1 < 20.6722773688 and attr store1 > 19.8722773688 ))) 6 0.1 0.1 peak 1087 volume 23.15232 ppm1 2.131 ppm2 2.103 ! ############### C13_CNnoesy_manual.1088 folded + assi (attr store1 < 2.014 and attr store1 > 1.914 ) ((attr store1 < 1.99 and attr store1 > 1.93 ) and (bondedto (attr store1 < 116.213722631 and attr store1 > 115.413722631 ) or bondedto (attr store1 < 68.471 and attr store1 > 67.671 ) or bondedto (attr store1 < 20.7282773688 and attr store1 > 19.9282773688 ))) 6 0.1 0.1 peak 1088 volume 21.61386 ppm1 1.960 ppm2 1.964 ! ############### C13_CNnoesy_manual.1089 folded + assi (attr store1 < 1.275 and attr store1 > 1.175 ) ((attr store1 < 1.25 and attr store1 > 1.19 ) and (bondedto (attr store1 < 116.197722631 and attr store1 > 115.397722631 ) or bondedto (attr store1 < 68.455 and attr store1 > 67.655 ) or bondedto (attr store1 < 20.7122773688 and attr store1 > 19.9122773688 ))) 6 0.1 0.1 peak 1089 volume 20.21452 ppm1 1.220 ppm2 1.225 ! ############### C13_CNnoesy_manual.1090 folded - assi (attr store1 < 3.399 and attr store1 > 3.299 ) ((attr store1 < 3.382 and attr store1 > 3.322 ) and (bondedto (attr store1 < 140.030083947 and attr store1 > 139.230083947 ) or bondedto (attr store1 < 44.5446386844 and attr store1 > 43.7446386844 ))) 6 0.1 0.1 peak 1090 volume 34.38954 ppm1 3.352 ppm2 3.349 ! ############### C13_CNnoesy_manual.1091 folded - assi (attr store1 < 1.518 and attr store1 > 1.418 ) ((attr store1 < 1.504 and attr store1 > 1.444 ) and (bondedto (attr store1 < 140.043083947 and attr store1 > 139.243083947 ) or bondedto (attr store1 < 44.5576386844 and attr store1 > 43.7576386844 ))) 6 0.1 0.1 peak 1091 volume 223.59488 ppm1 1.474 ppm2 1.468 ! ############### C13_CNnoesy_manual.1092 folded + assi (attr store1 < 3.83 and attr store1 > 3.73 ) ((attr store1 < 3.956 and attr store1 > 3.896 ) and (bondedto (attr store1 < 116.123722631 and attr store1 > 115.323722631 ) or bondedto (attr store1 < 68.381 and attr store1 > 67.581 ) or bondedto (attr store1 < 20.6382773688 and attr store1 > 19.8382773688 ))) 6 0.1 0.1 peak 1092 volume 15.22793 ppm1 3.926 ppm2 3.780 ! ############### C13_CNnoesy_manual.1093 folded + assi (attr store1 < 3.213 and attr store1 > 3.113 ) ((attr store1 < 3.213 and attr store1 > 3.153 ) and (bondedto (attr store1 < 116.115722631 and attr store1 > 115.315722631 ) or bondedto (attr store1 < 68.373 and attr store1 > 67.573 ) or bondedto (attr store1 < 20.6302773688 and attr store1 > 19.8302773688 ))) 6 0.1 0.1 peak 1093 volume 10.39340 ppm1 3.183 ppm2 3.163 ! ############### C13_CNnoesy_manual.1094 folded + assi (attr store1 < 3.136 and attr store1 > 3.036 ) ((attr store1 < 3.119 and attr store1 > 3.059 ) and (bondedto (attr store1 < 116.087722631 and attr store1 > 115.287722631 ) or bondedto (attr store1 < 68.345 and attr store1 > 67.545 ) or bondedto (attr store1 < 20.6022773688 and attr store1 > 19.8022773688 ))) 6 0.1 0.1 peak 1094 volume 98.55454 ppm1 3.089 ppm2 3.086 ! ############### C13_CNnoesy_manual.1095 folded + assi (attr store1 < 3.036 and attr store1 > 2.936 ) ((attr store1 < 3.045 and attr store1 > 2.985 ) and (bondedto (attr store1 < 116.091722631 and attr store1 > 115.291722631 ) or bondedto (attr store1 < 68.349 and attr store1 > 67.549 ) or bondedto (attr store1 < 20.6062773688 and attr store1 > 19.8062773688 ))) 6 0.1 0.1 peak 1095 volume 16.13260 ppm1 3.015 ppm2 2.986 ! ############### C13_CNnoesy_manual.1096 folded + assi (attr store1 < 2.496 and attr store1 > 2.396 ) ((attr store1 < 2.478 and attr store1 > 2.418 ) and (bondedto (attr store1 < 116.109722631 and attr store1 > 115.309722631 ) or bondedto (attr store1 < 68.367 and attr store1 > 67.567 ) or bondedto (attr store1 < 20.6242773688 and attr store1 > 19.8242773688 ))) 6 0.1 0.1 peak 1096 volume 39.60451 ppm1 2.448 ppm2 2.446 ! ############### C13_CNnoesy_manual.1097 folded + assi (attr store1 < 2.308 and attr store1 > 2.208 ) ((attr store1 < 2.286 and attr store1 > 2.226 ) and (bondedto (attr store1 < 116.066722631 and attr store1 > 115.266722631 ) or bondedto (attr store1 < 68.324 and attr store1 > 67.524 ) or bondedto (attr store1 < 20.5812773688 and attr store1 > 19.7812773688 ))) 6 0.1 0.1 peak 1097 volume 8.25655 ppm1 2.256 ppm2 2.258 ! ############### C13_CNnoesy_manual.1098 folded + assi (attr store1 < 2.104 and attr store1 > 2.004 ) ((attr store1 < 2.089 and attr store1 > 2.029 ) and (bondedto (attr store1 < 116.138722631 and attr store1 > 115.338722631 ) or bondedto (attr store1 < 68.396 and attr store1 > 67.596 ) or bondedto (attr store1 < 20.6532773688 and attr store1 > 19.8532773688 ))) 6 0.1 0.1 peak 1098 volume 33.93976 ppm1 2.059 ppm2 2.054 ! ############### C13_CNnoesy_manual.1099 folded + assi (attr store1 < 4.305 and attr store1 > 4.205 ) ((attr store1 < 1.695 and attr store1 > 1.635 ) and (bondedto (attr store1 < 116.125722631 and attr store1 > 115.325722631 ) or bondedto (attr store1 < 68.383 and attr store1 > 67.583 ) or bondedto (attr store1 < 20.6402773688 and attr store1 > 19.8402773688 ))) 6 0.1 0.1 peak 1099 volume 12.02125 ppm1 1.665 ppm2 4.255 ! ############### C13_CNnoesy_manual.1100 folded + assi (attr store1 < 1.608 and attr store1 > 1.508 ) ((attr store1 < 1.588 and attr store1 > 1.528 ) and (bondedto (attr store1 < 116.063722631 and attr store1 > 115.263722631 ) or bondedto (attr store1 < 68.321 and attr store1 > 67.521 ) or bondedto (attr store1 < 20.5782773688 and attr store1 > 19.7782773688 ))) 6 0.1 0.1 peak 1100 volume 14259.01465 ppm1 1.558 ppm2 1.558 ! ############### C13_CNnoesy_manual.1101 folded - assi (attr store1 < 3.839 and attr store1 > 3.739 ) ((attr store1 < 3.794 and attr store1 > 3.734 ) and (bondedto (attr store1 < 139.991083947 and attr store1 > 139.191083947 ) or bondedto (attr store1 < 44.5056386844 and attr store1 > 43.7056386844 ))) 6 0.1 0.1 peak 1101 volume 5.96654 ppm1 3.764 ppm2 3.789 ! ############### C13_CNnoesy_manual.1102 folded - assi (attr store1 < 3.895 and attr store1 > 3.795 ) ((attr store1 < 3.784 and attr store1 > 3.724 ) and (bondedto (attr store1 < 139.972083947 and attr store1 > 139.172083947 ) or bondedto (attr store1 < 44.4866386844 and attr store1 > 43.6866386844 ))) 6 0.1 0.1 peak 1102 volume 6.54219 ppm1 3.754 ppm2 3.845 ! ############### C13_CNnoesy_manual.1103 folded - assi (attr store1 < 4.163 and attr store1 > 4.063 ) ((attr store1 < 1.587 and attr store1 > 1.527 ) and (bondedto (attr store1 < 139.953083947 and attr store1 > 139.153083947 ) or bondedto (attr store1 < 44.4676386844 and attr store1 > 43.6676386844 ))) 6 0.1 0.1 peak 1103 volume 51.32137 ppm1 1.557 ppm2 4.113 ! ############### C13_CNnoesy_manual.1104 folded + assi (attr store1 < 3.013 and attr store1 > 2.913 ) ((attr store1 < 3.004 and attr store1 > 2.944 ) and (bondedto (attr store1 < 116.031722631 and attr store1 > 115.231722631 ) or bondedto (attr store1 < 68.289 and attr store1 > 67.489 ) or bondedto (attr store1 < 20.5462773688 and attr store1 > 19.7462773688 ))) 6 0.1 0.1 peak 1104 volume 15.67686 ppm1 2.974 ppm2 2.963 ! ############### C13_CNnoesy_manual.1105 folded + assi (attr store1 < 2.965 and attr store1 > 2.865 ) ((attr store1 < 2.835 and attr store1 > 2.775 ) and (bondedto (attr store1 < 116.022722631 and attr store1 > 115.222722631 ) or bondedto (attr store1 < 68.28 and attr store1 > 67.48 ) or bondedto (attr store1 < 20.5372773688 and attr store1 > 19.7372773688 ))) 6 0.1 0.1 peak 1105 volume 6.81904 ppm1 2.805 ppm2 2.915 ! ############### C13_CNnoesy_manual.1106 folded + assi (attr store1 < 1.107 and attr store1 > 1.007 ) ((attr store1 < 1.077 and attr store1 > 1.017 ) and (bondedto (attr store1 < 116.039722631 and attr store1 > 115.239722631 ) or bondedto (attr store1 < 68.297 and attr store1 > 67.497 ) or bondedto (attr store1 < 20.5542773688 and attr store1 > 19.7542773688 ))) 6 0.1 0.1 peak 1106 volume 202.25571 ppm1 1.047 ppm2 1.057 ! ############### C13_CNnoesy_manual.1107 folded - assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 1.595 and attr store1 > 1.535 ) and (bondedto (attr store1 < 139.928083947 and attr store1 > 139.128083947 ) or bondedto (attr store1 < 44.4426386844 and attr store1 > 43.6426386844 ))) 6 0.1 0.1 peak 1107 volume 14.93527 ppm1 1.565 ppm2 4.840 ! ############### C13_CNnoesy_manual.1108 folded + assi (attr store1 < 8.015 and attr store1 > 7.915 ) ((attr store1 < 7.995 and attr store1 > 7.935 ) and (bondedto (attr store1 < 115.892722631 and attr store1 > 115.092722631 ) or bondedto (attr store1 < 68.15 and attr store1 > 67.35 ) or bondedto (attr store1 < 20.4072773688 and attr store1 > 19.6072773688 ))) 6 0.1 0.1 peak 1108 volume 32.10508 ppm1 7.965 ppm2 7.965 ! ############### C13_CNnoesy_manual.1109 folded + assi (attr store1 < 2.962 and attr store1 > 2.862 ) ((attr store1 < 2.943 and attr store1 > 2.883 ) and (bondedto (attr store1 < 115.921722631 and attr store1 > 115.121722631 ) or bondedto (attr store1 < 68.179 and attr store1 > 67.379 ) or bondedto (attr store1 < 20.4362773688 and attr store1 > 19.6362773688 ))) 6 0.1 0.1 peak 1109 volume 34.06947 ppm1 2.913 ppm2 2.912 ! ############### C13_CNnoesy_manual.1110 folded + assi (attr store1 < 2.56 and attr store1 > 2.46 ) ((attr store1 < 2.538 and attr store1 > 2.478 ) and (bondedto (attr store1 < 115.907722631 and attr store1 > 115.107722631 ) or bondedto (attr store1 < 68.165 and attr store1 > 67.365 ) or bondedto (attr store1 < 20.4222773688 and attr store1 > 19.6222773688 ))) 6 0.1 0.1 peak 1110 volume 26.55826 ppm1 2.508 ppm2 2.510 ! ############### C13_CNnoesy_manual.1111 folded + assi (attr store1 < 2.271 and attr store1 > 2.171 ) ((attr store1 < 2.25 and attr store1 > 2.19 ) and (bondedto (attr store1 < 115.939722631 and attr store1 > 115.139722631 ) or bondedto (attr store1 < 68.197 and attr store1 > 67.397 ) or bondedto (attr store1 < 20.4542773688 and attr store1 > 19.6542773688 ))) 6 0.1 0.1 peak 1111 volume 7.57472 ppm1 2.220 ppm2 2.221 ! ############### C13_CNnoesy_manual.1112 folded - assi (attr store1 < 5.523 and attr store1 > 5.423 ) ((attr store1 < 8.357 and attr store1 > 8.297 ) and (bondedto (attr store1 < 139.764083947 and attr store1 > 138.964083947 ) or bondedto (attr store1 < 44.2786386844 and attr store1 > 43.4786386844 ))) 6 0.1 0.1 peak 1112 volume 5.91359 ppm1 8.327 ppm2 5.473 ! ############### C13_CNnoesy_manual.1113 folded - assi (attr store1 < 5.52 and attr store1 > 5.42 ) ((attr store1 < 8.186 and attr store1 > 8.126 ) and (bondedto (attr store1 < 139.748083947 and attr store1 > 138.948083947 ) or bondedto (attr store1 < 44.2626386844 and attr store1 > 43.4626386844 ))) 6 0.1 0.1 peak 1113 volume 13.03193 ppm1 8.156 ppm2 5.470 ! ############### C13_CNnoesy_manual.1114 folded - assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 8.185 and attr store1 > 8.125 ) and (bondedto (attr store1 < 139.753083947 and attr store1 > 138.953083947 ) or bondedto (attr store1 < 44.2676386844 and attr store1 > 43.4676386844 ))) 6 0.1 0.1 peak 1114 volume 11.87662 ppm1 8.155 ppm2 4.838 ! ############### C13_CNnoesy_manual.1115 folded - assi (attr store1 < 5.514 and attr store1 > 5.414 ) ((attr store1 < 8.061 and attr store1 > 8.001 ) and (bondedto (attr store1 < 139.779083947 and attr store1 > 138.979083947 ) or bondedto (attr store1 < 44.2936386844 and attr store1 > 43.4936386844 ))) 6 0.1 0.1 peak 1115 volume 7.05664 ppm1 8.031 ppm2 5.464 ! ############### C13_CNnoesy_manual.1116 folded - assi (attr store1 < 7.507 and attr store1 > 7.407 ) ((attr store1 < 7.487 and attr store1 > 7.427 ) and (bondedto (attr store1 < 139.837083947 and attr store1 > 139.037083947 ) or bondedto (attr store1 < 44.3516386844 and attr store1 > 43.5516386844 ))) 6 0.1 0.1 peak 1116 volume 26.57292 ppm1 7.457 ppm2 7.457 ! ############### C13_CNnoesy_manual.1117 folded + assi (attr store1 < 1.821 and attr store1 > 1.721 ) ((attr store1 < 1.795 and attr store1 > 1.735 ) and (bondedto (attr store1 < 115.870722631 and attr store1 > 115.070722631 ) or bondedto (attr store1 < 68.128 and attr store1 > 67.328 ) or bondedto (attr store1 < 20.3852773688 and attr store1 > 19.5852773688 ))) 6 0.1 0.1 peak 1117 volume 165.00438 ppm1 1.765 ppm2 1.771 ! ############### C13_CNnoesy_manual.1118 folded + assi (attr store1 < 0.8 and attr store1 > 0.7 ) ((attr store1 < 0.78 and attr store1 > 0.72 ) and (bondedto (attr store1 < 115.809722631 and attr store1 > 115.009722631 ) or bondedto (attr store1 < 68.067 and attr store1 > 67.267 ) or bondedto (attr store1 < 20.3242773688 and attr store1 > 19.5242773688 ))) 6 0.1 0.1 peak 1118 volume 145.30435 ppm1 0.750 ppm2 0.750 ! ############### C13_CNnoesy_manual.1119 folded - assi (attr store1 < 8.229 and attr store1 > 8.129 ) ((attr store1 < 8.237 and attr store1 > 8.177 ) and (bondedto (attr store1 < 139.738083947 and attr store1 > 138.938083947 ) or bondedto (attr store1 < 44.2526386844 and attr store1 > 43.4526386844 ))) 6 0.1 0.1 peak 1119 volume 167.52641 ppm1 8.207 ppm2 8.179 ! ############### C13_CNnoesy_manual.1120 folded - assi (attr store1 < 5.518 and attr store1 > 5.418 ) ((attr store1 < 8.235 and attr store1 > 8.175 ) and (bondedto (attr store1 < 139.733083947 and attr store1 > 138.933083947 ) or bondedto (attr store1 < 44.2476386844 and attr store1 > 43.4476386844 ))) 6 0.1 0.1 peak 1120 volume 13.51322 ppm1 8.205 ppm2 5.468 ! ############### C13_CNnoesy_manual.1121 folded - assi (attr store1 < 4.886 and attr store1 > 4.786 ) ((attr store1 < 8.234 and attr store1 > 8.174 ) and (bondedto (attr store1 < 139.739083947 and attr store1 > 138.939083947 ) or bondedto (attr store1 < 44.2536386844 and attr store1 > 43.4536386844 ))) 6 0.1 0.1 peak 1121 volume 11.61415 ppm1 8.204 ppm2 4.836 ! ############### C13_CNnoesy_manual.1122 folded - assi (attr store1 < 8.23 and attr store1 > 8.13 ) ((attr store1 < 8.183 and attr store1 > 8.123 ) and (bondedto (attr store1 < 139.728083947 and attr store1 > 138.928083947 ) or bondedto (attr store1 < 44.2426386844 and attr store1 > 43.4426386844 ))) 6 0.1 0.1 peak 1122 volume 159.30241 ppm1 8.153 ppm2 8.180 ! ############### C13_CNnoesy_manual.1123 folded - assi (attr store1 < 5.52 and attr store1 > 5.42 ) ((attr store1 < 8.039 and attr store1 > 7.979 ) and (bondedto (attr store1 < 139.729083947 and attr store1 > 138.929083947 ) or bondedto (attr store1 < 44.2436386844 and attr store1 > 43.4436386844 ))) 6 0.1 0.1 peak 1123 volume 5.917 ppm1 8.009 ppm2 5.470 ! ############### C13_CNnoesy_manual.1124 folded - assi (attr store1 < 6.905 and attr store1 > 6.805 ) ((attr store1 < 6.883 and attr store1 > 6.823 ) and (bondedto (attr store1 < 139.659083947 and attr store1 > 138.859083947 ) or bondedto (attr store1 < 44.1736386844 and attr store1 > 43.3736386844 ))) 6 0.1 0.1 peak 1124 volume 12.24408 ppm1 6.853 ppm2 6.855 ! ############### C13_CNnoesy_manual.1125 folded - assi (attr store1 < 1.184 and attr store1 > 1.084 ) ((attr store1 < 1.168 and attr store1 > 1.108 ) and (bondedto (attr store1 < 139.719083947 and attr store1 > 138.919083947 ) or bondedto (attr store1 < 44.2336386844 and attr store1 > 43.4336386844 ))) 6 0.1 0.1 peak 1125 volume 52.72651 ppm1 1.138 ppm2 1.134 ! ############### C13_CNnoesy_manual.1126 folded - assi (attr store1 < 0.144 and attr store1 > 0.044 ) ((attr store1 < 0.129 and attr store1 > 0.069 ) and (bondedto (attr store1 < 139.710083947 and attr store1 > 138.910083947 ) or bondedto (attr store1 < 44.2246386844 and attr store1 > 43.4246386844 ))) 6 0.1 0.1 peak 1126 volume 12.64317 ppm1 0.099 ppm2 0.094 ! ############### C13_CNnoesy_manual.1127 folded + assi (attr store1 < 9.269 and attr store1 > 9.169 ) ((attr store1 < 4.459 and attr store1 > 4.399 ) and (bondedto (attr store1 < 115.690722631 and attr store1 > 114.890722631 ) or bondedto (attr store1 < 67.948 and attr store1 > 67.148 ) or bondedto (attr store1 < 20.2052773688 and attr store1 > 19.4052773688 ))) 6 0.1 0.1 peak 1127 volume 7.53517 ppm1 4.429 ppm2 9.219 ! ############### C13_CNnoesy_manual.1128 folded + assi (attr store1 < 1.45 and attr store1 > 1.35 ) ((attr store1 < 4.453 and attr store1 > 4.393 ) and (bondedto (attr store1 < 115.687722631 and attr store1 > 114.887722631 ) or bondedto (attr store1 < 67.945 and attr store1 > 67.145 ) or bondedto (attr store1 < 20.2022773688 and attr store1 > 19.4022773688 ))) 6 0.1 0.1 peak 1128 volume 47.76947 ppm1 4.423 ppm2 1.400 ! ############### C13_CNnoesy_manual.1129 folded + assi (attr store1 < 6.574 and attr store1 > 6.474 ) ((attr store1 < 4.443 and attr store1 > 4.383 ) and (bondedto (attr store1 < 115.731722631 and attr store1 > 114.931722631 ) or bondedto (attr store1 < 67.989 and attr store1 > 67.189 ) or bondedto (attr store1 < 20.2462773688 and attr store1 > 19.4462773688 ))) 6 0.1 0.1 peak 1129 volume 6.45042 ppm1 4.413 ppm2 6.524 ! ############### C13_CNnoesy_manual.1130 folded + assi (attr store1 < 9.263 and attr store1 > 9.163 ) ((attr store1 < 3.833 and attr store1 > 3.773 ) and (bondedto (attr store1 < 115.724722631 and attr store1 > 114.924722631 ) or bondedto (attr store1 < 67.982 and attr store1 > 67.182 ) or bondedto (attr store1 < 20.2392773688 and attr store1 > 19.4392773688 ))) 6 0.1 0.1 peak 1130 volume 12.01599 ppm1 3.803 ppm2 9.213 ! ############### C13_CNnoesy_manual.1131 folded + assi (attr store1 < 8.748 and attr store1 > 8.648 ) ((attr store1 < 3.833 and attr store1 > 3.773 ) and (bondedto (attr store1 < 115.718722631 and attr store1 > 114.918722631 ) or bondedto (attr store1 < 67.976 and attr store1 > 67.176 ) or bondedto (attr store1 < 20.2332773688 and attr store1 > 19.4332773688 ))) 6 0.1 0.1 peak 1131 volume 11.25888 ppm1 3.803 ppm2 8.698 ! ############### C13_CNnoesy_manual.1132 folded + assi (attr store1 < 1.451 and attr store1 > 1.351 ) ((attr store1 < 3.838 and attr store1 > 3.778 ) and (bondedto (attr store1 < 115.720722631 and attr store1 > 114.920722631 ) or bondedto (attr store1 < 67.978 and attr store1 > 67.178 ) or bondedto (attr store1 < 20.2352773688 and attr store1 > 19.4352773688 ))) 6 0.1 0.1 peak 1132 volume 56.57043 ppm1 3.808 ppm2 1.401 ! ############### C13_CNnoesy_manual.1133 folded + assi (attr store1 < 8.241 and attr store1 > 8.141 ) ((attr store1 < 3.832 and attr store1 > 3.772 ) and (bondedto (attr store1 < 115.721722631 and attr store1 > 114.921722631 ) or bondedto (attr store1 < 67.979 and attr store1 > 67.179 ) or bondedto (attr store1 < 20.2362773688 and attr store1 > 19.4362773688 ))) 6 0.1 0.1 peak 1133 volume 11.36892 ppm1 3.802 ppm2 8.191 ! ############### C13_CNnoesy_manual.1134 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 3.83 and attr store1 > 3.77 ) and (bondedto (attr store1 < 115.719722631 and attr store1 > 114.919722631 ) or bondedto (attr store1 < 67.977 and attr store1 > 67.177 ) or bondedto (attr store1 < 20.2342773688 and attr store1 > 19.4342773688 ))) 6 0.1 0.1 peak 1134 volume 17.14190 ppm1 3.800 ppm2 4.839 ! ############### C13_CNnoesy_manual.1135 folded + assi (attr store1 < 4.474 and attr store1 > 4.374 ) ((attr store1 < 3.832 and attr store1 > 3.772 ) and (bondedto (attr store1 < 115.699722631 and attr store1 > 114.899722631 ) or bondedto (attr store1 < 67.957 and attr store1 > 67.157 ) or bondedto (attr store1 < 20.2142773688 and attr store1 > 19.4142773688 ))) 6 0.1 0.1 peak 1135 volume 89.71845 ppm1 3.802 ppm2 4.424 ! ############### C13_CNnoesy_manual.1136 folded + assi (attr store1 < 3.849 and attr store1 > 3.749 ) ((attr store1 < 3.831 and attr store1 > 3.771 ) and (bondedto (attr store1 < 115.687722631 and attr store1 > 114.887722631 ) or bondedto (attr store1 < 67.945 and attr store1 > 67.145 ) or bondedto (attr store1 < 20.2022773688 and attr store1 > 19.4022773688 ))) 6 0.1 0.1 peak 1136 volume 186.15315 ppm1 3.801 ppm2 3.799 ! ############### C13_CNnoesy_manual.1137 folded + assi (attr store1 < 2.078 and attr store1 > 1.978 ) ((attr store1 < 3.832 and attr store1 > 3.772 ) and (bondedto (attr store1 < 115.712722631 and attr store1 > 114.912722631 ) or bondedto (attr store1 < 67.97 and attr store1 > 67.17 ) or bondedto (attr store1 < 20.2272773688 and attr store1 > 19.4272773688 ))) 6 0.1 0.1 peak 1137 volume 29.40153 ppm1 3.802 ppm2 2.028 ! ############### C13_CNnoesy_manual.1138 folded + assi (attr store1 < 1.083 and attr store1 > 0.983 ) ((attr store1 < 3.831 and attr store1 > 3.771 ) and (bondedto (attr store1 < 115.712722631 and attr store1 > 114.912722631 ) or bondedto (attr store1 < 67.97 and attr store1 > 67.17 ) or bondedto (attr store1 < 20.2272773688 and attr store1 > 19.4272773688 ))) 6 0.1 0.1 peak 1138 volume 22.34082 ppm1 3.801 ppm2 1.033 ! ############### C13_CNnoesy_manual.1139 folded + assi (attr store1 < 0.928 and attr store1 > 0.828 ) ((attr store1 < 3.831 and attr store1 > 3.771 ) and (bondedto (attr store1 < 115.718722631 and attr store1 > 114.918722631 ) or bondedto (attr store1 < 67.976 and attr store1 > 67.176 ) or bondedto (attr store1 < 20.2332773688 and attr store1 > 19.4332773688 ))) 6 0.1 0.1 peak 1139 volume 34.26818 ppm1 3.801 ppm2 0.878 ! ############### C13_CNnoesy_manual.1140 folded + assi (attr store1 < 2.264 and attr store1 > 2.164 ) ((attr store1 < 2.247 and attr store1 > 2.187 ) and (bondedto (attr store1 < 115.695722631 and attr store1 > 114.895722631 ) or bondedto (attr store1 < 67.953 and attr store1 > 67.153 ) or bondedto (attr store1 < 20.2102773688 and attr store1 > 19.4102773688 ))) 6 0.1 0.1 peak 1140 volume 7.70848 ppm1 2.217 ppm2 2.214 ! ############### C13_CNnoesy_manual.1141 folded + assi (attr store1 < 2.109 and attr store1 > 2.009 ) ((attr store1 < 2.252 and attr store1 > 2.192 ) and (bondedto (attr store1 < 115.724722631 and attr store1 > 114.924722631 ) or bondedto (attr store1 < 67.982 and attr store1 > 67.182 ) or bondedto (attr store1 < 20.2392773688 and attr store1 > 19.4392773688 ))) 6 0.1 0.1 peak 1141 volume 14.87169 ppm1 2.222 ppm2 2.059 ! ############### C13_CNnoesy_manual.1142 folded + assi (attr store1 < 2.261 and attr store1 > 2.161 ) ((attr store1 < 2.087 and attr store1 > 2.027 ) and (bondedto (attr store1 < 115.708722631 and attr store1 > 114.908722631 ) or bondedto (attr store1 < 67.966 and attr store1 > 67.166 ) or bondedto (attr store1 < 20.2232773688 and attr store1 > 19.4232773688 ))) 6 0.1 0.1 peak 1142 volume 16.65528 ppm1 2.057 ppm2 2.211 ! ############### C13_CNnoesy_manual.1143 folded + assi (attr store1 < 2.629 and attr store1 > 2.529 ) ((attr store1 < 1.394 and attr store1 > 1.334 ) and (bondedto (attr store1 < 115.698722631 and attr store1 > 114.898722631 ) or bondedto (attr store1 < 67.956 and attr store1 > 67.156 ) or bondedto (attr store1 < 20.2132773688 and attr store1 > 19.4132773688 ))) 6 0.1 0.1 peak 1143 volume 7.85382 ppm1 1.364 ppm2 2.579 ! ############### C13_CNnoesy_manual.1144 folded + assi (attr store1 < 2.348 and attr store1 > 2.248 ) ((attr store1 < 1.392 and attr store1 > 1.332 ) and (bondedto (attr store1 < 115.708722631 and attr store1 > 114.908722631 ) or bondedto (attr store1 < 67.966 and attr store1 > 67.166 ) or bondedto (attr store1 < 20.2232773688 and attr store1 > 19.4232773688 ))) 6 0.1 0.1 peak 1144 volume 7.77390 ppm1 1.362 ppm2 2.298 ! ############### C13_CNnoesy_manual.1145 folded + assi (attr store1 < 2.011 and attr store1 > 1.911 ) ((attr store1 < 1.391 and attr store1 > 1.331 ) and (bondedto (attr store1 < 115.690722631 and attr store1 > 114.890722631 ) or bondedto (attr store1 < 67.948 and attr store1 > 67.148 ) or bondedto (attr store1 < 20.2052773688 and attr store1 > 19.4052773688 ))) 6 0.1 0.1 peak 1145 volume 17.47747 ppm1 1.361 ppm2 1.961 ! ############### C13_CNnoesy_manual.1146 folded + assi (attr store1 < 1.886 and attr store1 > 1.786 ) ((attr store1 < 1.392 and attr store1 > 1.332 ) and (bondedto (attr store1 < 115.705722631 and attr store1 > 114.905722631 ) or bondedto (attr store1 < 67.963 and attr store1 > 67.163 ) or bondedto (attr store1 < 20.2202773688 and attr store1 > 19.4202773688 ))) 6 0.1 0.1 peak 1146 volume 9.94006 ppm1 1.362 ppm2 1.836 ! ############### C13_CNnoesy_manual.1147 folded + assi (attr store1 < 1.806 and attr store1 > 1.706 ) ((attr store1 < 1.389 and attr store1 > 1.329 ) and (bondedto (attr store1 < 115.696722631 and attr store1 > 114.896722631 ) or bondedto (attr store1 < 67.954 and attr store1 > 67.154 ) or bondedto (attr store1 < 20.2112773688 and attr store1 > 19.4112773688 ))) 6 0.1 0.1 peak 1147 volume 10.38861 ppm1 1.359 ppm2 1.756 ! ############### C13_CNnoesy_manual.1148 folded + assi (attr store1 < 8.744 and attr store1 > 8.644 ) ((attr store1 < 4.452 and attr store1 > 4.392 ) and (bondedto (attr store1 < 115.657722631 and attr store1 > 114.857722631 ) or bondedto (attr store1 < 67.915 and attr store1 > 67.115 ) or bondedto (attr store1 < 20.1722773688 and attr store1 > 19.3722773688 ))) 6 0.1 0.1 peak 1148 volume 9.65414 ppm1 4.422 ppm2 8.694 ! ############### C13_CNnoesy_manual.1149 folded + assi (attr store1 < 8.23 and attr store1 > 8.13 ) ((attr store1 < 4.453 and attr store1 > 4.393 ) and (bondedto (attr store1 < 115.654722631 and attr store1 > 114.854722631 ) or bondedto (attr store1 < 67.912 and attr store1 > 67.112 ) or bondedto (attr store1 < 20.1692773688 and attr store1 > 19.3692773688 ))) 6 0.1 0.1 peak 1149 volume 5.87487 ppm1 4.423 ppm2 8.180 ! ############### C13_CNnoesy_manual.1150 folded + assi (attr store1 < 4.469 and attr store1 > 4.369 ) ((attr store1 < 4.451 and attr store1 > 4.391 ) and (bondedto (attr store1 < 115.665722631 and attr store1 > 114.865722631 ) or bondedto (attr store1 < 67.923 and attr store1 > 67.123 ) or bondedto (attr store1 < 20.1802773688 and attr store1 > 19.3802773688 ))) 6 0.1 0.1 peak 1150 volume 198.11345 ppm1 4.421 ppm2 4.419 ! ############### C13_CNnoesy_manual.1151 folded + assi (attr store1 < 3.852 and attr store1 > 3.752 ) ((attr store1 < 4.453 and attr store1 > 4.393 ) and (bondedto (attr store1 < 115.685722631 and attr store1 > 114.885722631 ) or bondedto (attr store1 < 67.943 and attr store1 > 67.143 ) or bondedto (attr store1 < 20.2002773688 and attr store1 > 19.4002773688 ))) 6 0.1 0.1 peak 1151 volume 107.67916 ppm1 4.423 ppm2 3.802 ! ############### C13_CNnoesy_manual.1152 folded + assi (attr store1 < 2.071 and attr store1 > 1.971 ) ((attr store1 < 4.453 and attr store1 > 4.393 ) and (bondedto (attr store1 < 115.666722631 and attr store1 > 114.866722631 ) or bondedto (attr store1 < 67.924 and attr store1 > 67.124 ) or bondedto (attr store1 < 20.1812773688 and attr store1 > 19.3812773688 ))) 6 0.1 0.1 peak 1152 volume 18.86640 ppm1 4.423 ppm2 2.021 ! ############### C13_CNnoesy_manual.1153 folded + assi (attr store1 < 1.083 and attr store1 > 0.983 ) ((attr store1 < 4.453 and attr store1 > 4.393 ) and (bondedto (attr store1 < 115.670722631 and attr store1 > 114.870722631 ) or bondedto (attr store1 < 67.928 and attr store1 > 67.128 ) or bondedto (attr store1 < 20.1852773688 and attr store1 > 19.3852773688 ))) 6 0.1 0.1 peak 1153 volume 31.11616 ppm1 4.423 ppm2 1.033 ! ############### C13_CNnoesy_manual.1154 folded + assi (attr store1 < 0.945 and attr store1 > 0.845 ) ((attr store1 < 4.452 and attr store1 > 4.392 ) and (bondedto (attr store1 < 115.651722631 and attr store1 > 114.851722631 ) or bondedto (attr store1 < 67.909 and attr store1 > 67.109 ) or bondedto (attr store1 < 20.1662773688 and attr store1 > 19.3662773688 ))) 6 0.1 0.1 peak 1154 volume 27.88779 ppm1 4.422 ppm2 0.895 ! ############### C13_CNnoesy_manual.1155 folded + assi (attr store1 < 4.43 and attr store1 > 4.33 ) ((attr store1 < 4.412 and attr store1 > 4.352 ) and (bondedto (attr store1 < 115.599722631 and attr store1 > 114.799722631 ) or bondedto (attr store1 < 67.857 and attr store1 > 67.057 ) or bondedto (attr store1 < 20.1142773688 and attr store1 > 19.3142773688 ))) 6 0.1 0.1 peak 1155 volume 199.50610 ppm1 4.382 ppm2 4.380 ! ############### C13_CNnoesy_manual.1156 folded + assi (attr store1 < 7.674 and attr store1 > 7.574 ) ((attr store1 < 4.4 and attr store1 > 4.34 ) and (bondedto (attr store1 < 115.611722631 and attr store1 > 114.811722631 ) or bondedto (attr store1 < 67.869 and attr store1 > 67.069 ) or bondedto (attr store1 < 20.1262773688 and attr store1 > 19.3262773688 ))) 6 0.1 0.1 peak 1156 volume 5.65038 ppm1 4.370 ppm2 7.624 ! ############### C13_CNnoesy_manual.1157 folded + assi (attr store1 < 4.403 and attr store1 > 4.303 ) ((attr store1 < 4.335 and attr store1 > 4.275 ) and (bondedto (attr store1 < 115.624722631 and attr store1 > 114.824722631 ) or bondedto (attr store1 < 67.882 and attr store1 > 67.082 ) or bondedto (attr store1 < 20.1392773688 and attr store1 > 19.3392773688 ))) 6 0.1 0.1 peak 1157 volume 10.52679 ppm1 4.305 ppm2 4.353 ! ############### C13_CNnoesy_manual.1158 folded + assi (attr store1 < 7.677 and attr store1 > 7.577 ) ((attr store1 < 4.094 and attr store1 > 4.034 ) and (bondedto (attr store1 < 115.597722631 and attr store1 > 114.797722631 ) or bondedto (attr store1 < 67.855 and attr store1 > 67.055 ) or bondedto (attr store1 < 20.1122773688 and attr store1 > 19.3122773688 ))) 6 0.1 0.1 peak 1158 volume 7.30023 ppm1 4.064 ppm2 7.627 ! ############### C13_CNnoesy_manual.1159 folded + assi (attr store1 < 4.123 and attr store1 > 4.023 ) ((attr store1 < 4.097 and attr store1 > 4.037 ) and (bondedto (attr store1 < 115.599722631 and attr store1 > 114.799722631 ) or bondedto (attr store1 < 67.857 and attr store1 > 67.057 ) or bondedto (attr store1 < 20.1142773688 and attr store1 > 19.3142773688 ))) 6 0.1 0.1 peak 1159 volume 177.63062 ppm1 4.067 ppm2 4.073 ! ############### C13_CNnoesy_manual.1160 folded + assi (attr store1 < 3.313 and attr store1 > 3.213 ) ((attr store1 < 3.508 and attr store1 > 3.448 ) and (bondedto (attr store1 < 115.648722631 and attr store1 > 114.848722631 ) or bondedto (attr store1 < 67.906 and attr store1 > 67.106 ) or bondedto (attr store1 < 20.1632773688 and attr store1 > 19.3632773688 ))) 6 0.1 0.1 peak 1160 volume 6.61239 ppm1 3.478 ppm2 3.263 ! ############### C13_CNnoesy_manual.1161 folded + assi (attr store1 < 4.154 and attr store1 > 4.054 ) ((attr store1 < 1.615 and attr store1 > 1.555 ) and (bondedto (attr store1 < 115.652722631 and attr store1 > 114.852722631 ) or bondedto (attr store1 < 67.91 and attr store1 > 67.11 ) or bondedto (attr store1 < 20.1672773688 and attr store1 > 19.3672773688 ))) 6 0.1 0.1 peak 1161 volume 15.44321 ppm1 1.585 ppm2 4.104 ! ############### C13_CNnoesy_manual.1162 folded + assi (attr store1 < 4.062 and attr store1 > 3.962 ) ((attr store1 < 1.599 and attr store1 > 1.539 ) and (bondedto (attr store1 < 115.653722631 and attr store1 > 114.853722631 ) or bondedto (attr store1 < 67.911 and attr store1 > 67.111 ) or bondedto (attr store1 < 20.1682773688 and attr store1 > 19.3682773688 ))) 6 0.1 0.1 peak 1162 volume 5.92862 ppm1 1.569 ppm2 4.012 ! ############### C13_CNnoesy_manual.1163 folded + assi (attr store1 < 4.469 and attr store1 > 4.369 ) ((attr store1 < 1.431 and attr store1 > 1.371 ) and (bondedto (attr store1 < 115.625722631 and attr store1 > 114.825722631 ) or bondedto (attr store1 < 67.883 and attr store1 > 67.083 ) or bondedto (attr store1 < 20.1402773688 and attr store1 > 19.3402773688 ))) 6 0.1 0.1 peak 1163 volume 11.97851 ppm1 1.401 ppm2 4.419 ! ############### C13_CNnoesy_manual.1164 folded + assi (attr store1 < 8.71 and attr store1 > 8.61 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.641722631 and attr store1 > 114.841722631 ) or bondedto (attr store1 < 67.899 and attr store1 > 67.099 ) or bondedto (attr store1 < 20.1562773688 and attr store1 > 19.3562773688 ))) 6 0.1 0.1 peak 1164 volume 72.80090 ppm1 1.365 ppm2 8.660 ! ############### C13_CNnoesy_manual.1165 folded + assi (attr store1 < 8.47 and attr store1 > 8.37 ) ((attr store1 < 1.393 and attr store1 > 1.333 ) and (bondedto (attr store1 < 115.625722631 and attr store1 > 114.825722631 ) or bondedto (attr store1 < 67.883 and attr store1 > 67.083 ) or bondedto (attr store1 < 20.1402773688 and attr store1 > 19.3402773688 ))) 6 0.1 0.1 peak 1165 volume 6.04597 ppm1 1.363 ppm2 8.420 ! ############### C13_CNnoesy_manual.1166 folded + assi (attr store1 < 8.163 and attr store1 > 8.063 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.638722631 and attr store1 > 114.838722631 ) or bondedto (attr store1 < 67.896 and attr store1 > 67.096 ) or bondedto (attr store1 < 20.1532773688 and attr store1 > 19.3532773688 ))) 6 0.1 0.1 peak 1166 volume 41.53337 ppm1 1.365 ppm2 8.113 ! ############### C13_CNnoesy_manual.1167 folded + assi (attr store1 < 7.897 and attr store1 > 7.797 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.641722631 and attr store1 > 114.841722631 ) or bondedto (attr store1 < 67.899 and attr store1 > 67.099 ) or bondedto (attr store1 < 20.1562773688 and attr store1 > 19.3562773688 ))) 6 0.1 0.1 peak 1167 volume 13.91848 ppm1 1.365 ppm2 7.847 ! ############### C13_CNnoesy_manual.1168 folded + assi (attr store1 < 7.733 and attr store1 > 7.633 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.666722631 and attr store1 > 114.866722631 ) or bondedto (attr store1 < 67.924 and attr store1 > 67.124 ) or bondedto (attr store1 < 20.1812773688 and attr store1 > 19.3812773688 ))) 6 0.1 0.1 peak 1168 volume 9.02610 ppm1 1.365 ppm2 7.683 ! ############### C13_CNnoesy_manual.1169 folded + assi (attr store1 < 7.02 and attr store1 > 6.92 ) ((attr store1 < 1.393 and attr store1 > 1.333 ) and (bondedto (attr store1 < 115.639722631 and attr store1 > 114.839722631 ) or bondedto (attr store1 < 67.897 and attr store1 > 67.097 ) or bondedto (attr store1 < 20.1542773688 and attr store1 > 19.3542773688 ))) 6 0.1 0.1 peak 1169 volume 24.15549 ppm1 1.363 ppm2 6.970 ! ############### C13_CNnoesy_manual.1170 folded + assi (attr store1 < 6.91 and attr store1 > 6.81 ) ((attr store1 < 1.394 and attr store1 > 1.334 ) and (bondedto (attr store1 < 115.643722631 and attr store1 > 114.843722631 ) or bondedto (attr store1 < 67.901 and attr store1 > 67.101 ) or bondedto (attr store1 < 20.1582773688 and attr store1 > 19.3582773688 ))) 6 0.1 0.1 peak 1170 volume 34.41581 ppm1 1.364 ppm2 6.860 ! ############### C13_CNnoesy_manual.1171 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 1.391 and attr store1 > 1.331 ) and (bondedto (attr store1 < 115.627722631 and attr store1 > 114.827722631 ) or bondedto (attr store1 < 67.885 and attr store1 > 67.085 ) or bondedto (attr store1 < 20.1422773688 and attr store1 > 19.3422773688 ))) 6 0.1 0.1 peak 1171 volume 20.04712 ppm1 1.361 ppm2 4.839 ! ############### C13_CNnoesy_manual.1172 folded + assi (attr store1 < 4.14 and attr store1 > 4.04 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.644722631 and attr store1 > 114.844722631 ) or bondedto (attr store1 < 67.902 and attr store1 > 67.102 ) or bondedto (attr store1 < 20.1592773688 and attr store1 > 19.3592773688 ))) 6 0.1 0.1 peak 1172 volume 61.38330 ppm1 1.365 ppm2 4.090 ! ############### C13_CNnoesy_manual.1173 folded + assi (attr store1 < 3.884 and attr store1 > 3.784 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.632722631 and attr store1 > 114.832722631 ) or bondedto (attr store1 < 67.89 and attr store1 > 67.09 ) or bondedto (attr store1 < 20.1472773688 and attr store1 > 19.3472773688 ))) 6 0.1 0.1 peak 1173 volume 89.41508 ppm1 1.365 ppm2 3.834 ! ############### C13_CNnoesy_manual.1174 folded + assi (attr store1 < 2.8 and attr store1 > 2.7 ) ((attr store1 < 1.392 and attr store1 > 1.332 ) and (bondedto (attr store1 < 115.685722631 and attr store1 > 114.885722631 ) or bondedto (attr store1 < 67.943 and attr store1 > 67.143 ) or bondedto (attr store1 < 20.2002773688 and attr store1 > 19.4002773688 ))) 6 0.1 0.1 peak 1174 volume 7.61547 ppm1 1.362 ppm2 2.750 ! ############### C13_CNnoesy_manual.1175 folded + assi (attr store1 < 2.175 and attr store1 > 2.075 ) ((attr store1 < 1.391 and attr store1 > 1.331 ) and (bondedto (attr store1 < 115.622722631 and attr store1 > 114.822722631 ) or bondedto (attr store1 < 67.88 and attr store1 > 67.08 ) or bondedto (attr store1 < 20.1372773688 and attr store1 > 19.3372773688 ))) 6 0.1 0.1 peak 1175 volume 12.47471 ppm1 1.361 ppm2 2.125 ! ############### C13_CNnoesy_manual.1176 folded + assi (attr store1 < 1.415 and attr store1 > 1.315 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.643722631 and attr store1 > 114.843722631 ) or bondedto (attr store1 < 67.901 and attr store1 > 67.101 ) or bondedto (attr store1 < 20.1582773688 and attr store1 > 19.3582773688 ))) 6 0.1 0.1 peak 1176 volume 2090.29688 ppm1 1.365 ppm2 1.365 ! ############### C13_CNnoesy_manual.1177 folded + assi (attr store1 < 1.162 and attr store1 > 1.062 ) ((attr store1 < 1.388 and attr store1 > 1.328 ) and (bondedto (attr store1 < 115.630722631 and attr store1 > 114.830722631 ) or bondedto (attr store1 < 67.888 and attr store1 > 67.088 ) or bondedto (attr store1 < 20.1452773688 and attr store1 > 19.3452773688 ))) 6 0.1 0.1 peak 1177 volume 18.78167 ppm1 1.358 ppm2 1.112 ! ############### C13_CNnoesy_manual.1178 folded + assi (attr store1 < 0.818 and attr store1 > 0.718 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 115.636722631 and attr store1 > 114.836722631 ) or bondedto (attr store1 < 67.894 and attr store1 > 67.094 ) or bondedto (attr store1 < 20.1512773688 and attr store1 > 19.3512773688 ))) 6 0.1 0.1 peak 1178 volume 73.64352 ppm1 1.365 ppm2 0.768 ! ############### C13_CNnoesy_manual.1179 folded - assi (attr store1 < 4.885 and attr store1 > 4.785 ) ((attr store1 < 1.689 and attr store1 > 1.629 ) and (bondedto (attr store1 < 139.467083947 and attr store1 > 138.667083947 ) or bondedto (attr store1 < 43.9816386844 and attr store1 > 43.1816386844 ))) 6 0.1 0.1 peak 1179 volume 13.87916 ppm1 1.659 ppm2 4.835 ! ############### C13_CNnoesy_manual.1180 folded + assi (attr store1 < 9.043 and attr store1 > 8.943 ) ((attr store1 < 4.409 and attr store1 > 4.349 ) and (bondedto (attr store1 < 115.543722631 and attr store1 > 114.743722631 ) or bondedto (attr store1 < 67.801 and attr store1 > 67.001 ) or bondedto (attr store1 < 20.0582773688 and attr store1 > 19.2582773688 ))) 6 0.1 0.1 peak 1180 volume 6.36208 ppm1 4.379 ppm2 8.993 ! ############### C13_CNnoesy_manual.1181 folded + assi (attr store1 < 5.038 and attr store1 > 4.938 ) ((attr store1 < 4.406 and attr store1 > 4.346 ) and (bondedto (attr store1 < 115.571722631 and attr store1 > 114.771722631 ) or bondedto (attr store1 < 67.829 and attr store1 > 67.029 ) or bondedto (attr store1 < 20.0862773688 and attr store1 > 19.2862773688 ))) 6 0.1 0.1 peak 1181 volume 41.32034 ppm1 4.376 ppm2 4.988 ! ############### C13_CNnoesy_manual.1182 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 4.409 and attr store1 > 4.349 ) and (bondedto (attr store1 < 115.585722631 and attr store1 > 114.785722631 ) or bondedto (attr store1 < 67.843 and attr store1 > 67.043 ) or bondedto (attr store1 < 20.1002773688 and attr store1 > 19.3002773688 ))) 6 0.1 0.1 peak 1182 volume 51.41856 ppm1 4.379 ppm2 4.839 ! ############### C13_CNnoesy_manual.1183 folded + assi (attr store1 < 4.114 and attr store1 > 4.014 ) ((attr store1 < 4.406 and attr store1 > 4.346 ) and (bondedto (attr store1 < 115.570722631 and attr store1 > 114.770722631 ) or bondedto (attr store1 < 67.828 and attr store1 > 67.028 ) or bondedto (attr store1 < 20.0852773688 and attr store1 > 19.2852773688 ))) 6 0.1 0.1 peak 1183 volume 136.80202 ppm1 4.376 ppm2 4.064 ! ############### C13_CNnoesy_manual.1184 folded + assi (attr store1 < 5.039 and attr store1 > 4.939 ) ((attr store1 < 4.094 and attr store1 > 4.034 ) and (bondedto (attr store1 < 115.572722631 and attr store1 > 114.772722631 ) or bondedto (attr store1 < 67.83 and attr store1 > 67.03 ) or bondedto (attr store1 < 20.0872773688 and attr store1 > 19.2872773688 ))) 6 0.1 0.1 peak 1184 volume 41.61477 ppm1 4.064 ppm2 4.989 ! ############### C13_CNnoesy_manual.1185 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 4.093 and attr store1 > 4.033 ) and (bondedto (attr store1 < 115.582722631 and attr store1 > 114.782722631 ) or bondedto (attr store1 < 67.84 and attr store1 > 67.04 ) or bondedto (attr store1 < 20.0972773688 and attr store1 > 19.2972773688 ))) 6 0.1 0.1 peak 1185 volume 47.66912 ppm1 4.063 ppm2 4.839 ! ############### C13_CNnoesy_manual.1186 folded + assi (attr store1 < 4.425 and attr store1 > 4.325 ) ((attr store1 < 4.094 and attr store1 > 4.034 ) and (bondedto (attr store1 < 115.556722631 and attr store1 > 114.756722631 ) or bondedto (attr store1 < 67.814 and attr store1 > 67.014 ) or bondedto (attr store1 < 20.0712773688 and attr store1 > 19.2712773688 ))) 6 0.1 0.1 peak 1186 volume 133.08542 ppm1 4.064 ppm2 4.375 ! ############### C13_CNnoesy_manual.1187 folded + assi (attr store1 < 1.636 and attr store1 > 1.536 ) ((attr store1 < 1.803 and attr store1 > 1.743 ) and (bondedto (attr store1 < 115.526722631 and attr store1 > 114.726722631 ) or bondedto (attr store1 < 67.784 and attr store1 > 66.984 ) or bondedto (attr store1 < 20.0412773688 and attr store1 > 19.2412773688 ))) 6 0.1 0.1 peak 1187 volume 11.10436 ppm1 1.773 ppm2 1.586 ! ############### C13_CNnoesy_manual.1188 folded + assi (attr store1 < 9.262 and attr store1 > 9.162 ) ((attr store1 < 0.935 and attr store1 > 0.875 ) and (bondedto (attr store1 < 115.584722631 and attr store1 > 114.784722631 ) or bondedto (attr store1 < 67.842 and attr store1 > 67.042 ) or bondedto (attr store1 < 20.0992773688 and attr store1 > 19.2992773688 ))) 6 0.1 0.1 peak 1188 volume 14.60803 ppm1 0.905 ppm2 9.212 ! ############### C13_CNnoesy_manual.1189 folded + assi (attr store1 < 8.494 and attr store1 > 8.394 ) ((attr store1 < 0.939 and attr store1 > 0.879 ) and (bondedto (attr store1 < 115.544722631 and attr store1 > 114.744722631 ) or bondedto (attr store1 < 67.802 and attr store1 > 67.002 ) or bondedto (attr store1 < 20.0592773688 and attr store1 > 19.2592773688 ))) 6 0.1 0.1 peak 1189 volume 7.49682 ppm1 0.909 ppm2 8.444 ! ############### C13_CNnoesy_manual.1190 folded + assi (attr store1 < 8.234 and attr store1 > 8.134 ) ((attr store1 < 0.936 and attr store1 > 0.876 ) and (bondedto (attr store1 < 115.544722631 and attr store1 > 114.744722631 ) or bondedto (attr store1 < 67.802 and attr store1 > 67.002 ) or bondedto (attr store1 < 20.0592773688 and attr store1 > 19.2592773688 ))) 6 0.1 0.1 peak 1190 volume 12.45879 ppm1 0.906 ppm2 8.184 ! ############### C13_CNnoesy_manual.1191 folded + assi (attr store1 < 7.365 and attr store1 > 7.265 ) ((attr store1 < 0.936 and attr store1 > 0.876 ) and (bondedto (attr store1 < 115.563722631 and attr store1 > 114.763722631 ) or bondedto (attr store1 < 67.821 and attr store1 > 67.021 ) or bondedto (attr store1 < 20.0782773688 and attr store1 > 19.2782773688 ))) 6 0.1 0.1 peak 1191 volume 14.43938 ppm1 0.906 ppm2 7.315 ! ############### C13_CNnoesy_manual.1192 folded + assi (attr store1 < 7.063 and attr store1 > 6.963 ) ((attr store1 < 0.936 and attr store1 > 0.876 ) and (bondedto (attr store1 < 115.551722631 and attr store1 > 114.751722631 ) or bondedto (attr store1 < 67.809 and attr store1 > 67.009 ) or bondedto (attr store1 < 20.0662773688 and attr store1 > 19.2662773688 ))) 6 0.1 0.1 peak 1192 volume 5.89711 ppm1 0.906 ppm2 7.013 ! ############### C13_CNnoesy_manual.1193 folded + assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 0.932 and attr store1 > 0.872 ) and (bondedto (attr store1 < 115.577722631 and attr store1 > 114.777722631 ) or bondedto (attr store1 < 67.835 and attr store1 > 67.035 ) or bondedto (attr store1 < 20.0922773688 and attr store1 > 19.2922773688 ))) 6 0.1 0.1 peak 1193 volume 7.19549 ppm1 0.902 ppm2 4.840 ! ############### C13_CNnoesy_manual.1194 folded + assi (attr store1 < 4.142 and attr store1 > 4.042 ) ((attr store1 < 0.936 and attr store1 > 0.876 ) and (bondedto (attr store1 < 115.544722631 and attr store1 > 114.744722631 ) or bondedto (attr store1 < 67.802 and attr store1 > 67.002 ) or bondedto (attr store1 < 20.0592773688 and attr store1 > 19.2592773688 ))) 6 0.1 0.1 peak 1194 volume 73.09327 ppm1 0.906 ppm2 4.092 ! ############### C13_CNnoesy_manual.1195 folded + assi (attr store1 < 3.857 and attr store1 > 3.757 ) ((attr store1 < 0.937 and attr store1 > 0.877 ) and (bondedto (attr store1 < 115.552722631 and attr store1 > 114.752722631 ) or bondedto (attr store1 < 67.81 and attr store1 > 67.01 ) or bondedto (attr store1 < 20.0672773688 and attr store1 > 19.2672773688 ))) 6 0.1 0.1 peak 1195 volume 15.70266 ppm1 0.907 ppm2 3.807 ! ############### C13_CNnoesy_manual.1196 folded + assi (attr store1 < 3.579 and attr store1 > 3.479 ) ((attr store1 < 0.936 and attr store1 > 0.876 ) and (bondedto (attr store1 < 115.561722631 and attr store1 > 114.761722631 ) or bondedto (attr store1 < 67.819 and attr store1 > 67.019 ) or bondedto (attr store1 < 20.0762773688 and attr store1 > 19.2762773688 ))) 6 0.1 0.1 peak 1196 volume 24.01874 ppm1 0.906 ppm2 3.529 ! ############### C13_CNnoesy_manual.1197 folded + assi (attr store1 < 3.039 and attr store1 > 2.939 ) ((attr store1 < 0.937 and attr store1 > 0.877 ) and (bondedto (attr store1 < 115.553722631 and attr store1 > 114.753722631 ) or bondedto (attr store1 < 67.811 and attr store1 > 67.011 ) or bondedto (attr store1 < 20.0682773688 and attr store1 > 19.2682773688 ))) 6 0.1 0.1 peak 1197 volume 7.22540 ppm1 0.907 ppm2 2.989 ! ############### C13_CNnoesy_manual.1198 folded + assi (attr store1 < 2.218 and attr store1 > 2.118 ) ((attr store1 < 0.937 and attr store1 > 0.877 ) and (bondedto (attr store1 < 115.550722631 and attr store1 > 114.750722631 ) or bondedto (attr store1 < 67.808 and attr store1 > 67.008 ) or bondedto (attr store1 < 20.0652773688 and attr store1 > 19.2652773688 ))) 6 0.1 0.1 peak 1198 volume 22.45439 ppm1 0.907 ppm2 2.168 ! ############### C13_CNnoesy_manual.1199 folded + assi (attr store1 < 1.972 and attr store1 > 1.872 ) ((attr store1 < 0.936 and attr store1 > 0.876 ) and (bondedto (attr store1 < 115.558722631 and attr store1 > 114.758722631 ) or bondedto (attr store1 < 67.816 and attr store1 > 67.016 ) or bondedto (attr store1 < 20.0732773688 and attr store1 > 19.2732773688 ))) 6 0.1 0.1 peak 1199 volume 76.27686 ppm1 0.906 ppm2 1.922 ! ############### C13_CNnoesy_manual.1200 folded + assi (attr store1 < 1.451 and attr store1 > 1.351 ) ((attr store1 < 0.935 and attr store1 > 0.875 ) and (bondedto (attr store1 < 115.547722631 and attr store1 > 114.747722631 ) or bondedto (attr store1 < 67.805 and attr store1 > 67.005 ) or bondedto (attr store1 < 20.0622773688 and attr store1 > 19.2622773688 ))) 6 0.1 0.1 peak 1200 volume 29.21629 ppm1 0.905 ppm2 1.401 ! ############### C13_CNnoesy_manual.1201 folded + assi (attr store1 < 1.324 and attr store1 > 1.224 ) ((attr store1 < 0.933 and attr store1 > 0.873 ) and (bondedto (attr store1 < 115.541722631 and attr store1 > 114.741722631 ) or bondedto (attr store1 < 67.799 and attr store1 > 66.999 ) or bondedto (attr store1 < 20.0562773688 and attr store1 > 19.2562773688 ))) 6 0.1 0.1 peak 1201 volume 16.16541 ppm1 0.903 ppm2 1.274 ! ############### C13_CNnoesy_manual.1202 folded + assi (attr store1 < 0.955 and attr store1 > 0.855 ) ((attr store1 < 0.936 and attr store1 > 0.876 ) and (bondedto (attr store1 < 115.561722631 and attr store1 > 114.761722631 ) or bondedto (attr store1 < 67.819 and attr store1 > 67.019 ) or bondedto (attr store1 < 20.0762773688 and attr store1 > 19.2762773688 ))) 6 0.1 0.1 peak 1202 volume 2694.15869 ppm1 0.906 ppm2 0.905 ! ############### C13_CNnoesy_manual.1203 folded + assi (attr store1 < 0.699 and attr store1 > 0.599 ) ((attr store1 < 0.935 and attr store1 > 0.875 ) and (bondedto (attr store1 < 115.559722631 and attr store1 > 114.759722631 ) or bondedto (attr store1 < 67.817 and attr store1 > 67.017 ) or bondedto (attr store1 < 20.0742773688 and attr store1 > 19.2742773688 ))) 6 0.1 0.1 peak 1203 volume 76.26036 ppm1 0.905 ppm2 0.649 ! ############### C13_CNnoesy_manual.1204 folded + assi (attr store1 < 0.489 and attr store1 > 0.389 ) ((attr store1 < 0.934 and attr store1 > 0.874 ) and (bondedto (attr store1 < 115.534722631 and attr store1 > 114.734722631 ) or bondedto (attr store1 < 67.792 and attr store1 > 66.992 ) or bondedto (attr store1 < 20.0492773688 and attr store1 > 19.2492773688 ))) 6 0.1 0.1 peak 1204 volume 6.36476 ppm1 0.904 ppm2 0.439 ! ############### C13_CNnoesy_manual.1205 folded - assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 8.048 and attr store1 > 7.988 ) and (bondedto (attr store1 < 139.436083947 and attr store1 > 138.636083947 ) or bondedto (attr store1 < 43.9506386844 and attr store1 > 43.1506386844 ))) 6 0.1 0.1 peak 1205 volume 7.51301 ppm1 8.018 ppm2 4.838 ! ############### C13_CNnoesy_manual.1206 folded - assi (attr store1 < 7.359 and attr store1 > 7.259 ) ((attr store1 < 7.338 and attr store1 > 7.278 ) and (bondedto (attr store1 < 139.455083947 and attr store1 > 138.655083947 ) or bondedto (attr store1 < 43.9696386844 and attr store1 > 43.1696386844 ))) 6 0.1 0.1 peak 1206 volume 10.89446 ppm1 7.308 ppm2 7.309 ! ############### C13_CNnoesy_manual.1207 folded - assi (attr store1 < 4.436 and attr store1 > 4.336 ) ((attr store1 < 3.312 and attr store1 > 3.252 ) and (bondedto (attr store1 < 139.444083947 and attr store1 > 138.644083947 ) or bondedto (attr store1 < 43.9586386844 and attr store1 > 43.1586386844 ))) 6 0.1 0.1 peak 1207 volume 11.57967 ppm1 3.282 ppm2 4.386 ! ############### C13_CNnoesy_manual.1208 folded - assi (attr store1 < 1.944 and attr store1 > 1.844 ) ((attr store1 < 3.312 and attr store1 > 3.252 ) and (bondedto (attr store1 < 139.442083947 and attr store1 > 138.642083947 ) or bondedto (attr store1 < 43.9566386844 and attr store1 > 43.1566386844 ))) 6 0.1 0.1 peak 1208 volume 49.46127 ppm1 3.282 ppm2 1.894 ! ############### C13_CNnoesy_manual.1209 folded - assi (attr store1 < 1.758 and attr store1 > 1.658 ) ((attr store1 < 3.312 and attr store1 > 3.252 ) and (bondedto (attr store1 < 139.441083947 and attr store1 > 138.641083947 ) or bondedto (attr store1 < 43.9556386844 and attr store1 > 43.1556386844 ))) 6 0.1 0.1 peak 1209 volume 96.70187 ppm1 3.282 ppm2 1.708 ! ############### C13_CNnoesy_manual.1210 folded - assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 3.308 and attr store1 > 3.248 ) and (bondedto (attr store1 < 139.431083947 and attr store1 > 138.631083947 ) or bondedto (attr store1 < 43.9456386844 and attr store1 > 43.1456386844 ))) 6 0.1 0.1 peak 1210 volume 42.07948 ppm1 3.278 ppm2 4.838 ! ############### C13_CNnoesy_manual.1211 folded - assi (attr store1 < 3.329 and attr store1 > 3.229 ) ((attr store1 < 3.311 and attr store1 > 3.251 ) and (bondedto (attr store1 < 139.464083947 and attr store1 > 138.664083947 ) or bondedto (attr store1 < 43.9786386844 and attr store1 > 43.1786386844 ))) 6 0.1 0.1 peak 1211 volume 4863.30176 ppm1 3.281 ppm2 3.279 ! ############### C13_CNnoesy_manual.1212 folded - assi (attr store1 < 2.201 and attr store1 > 2.101 ) ((attr store1 < 2.177 and attr store1 > 2.117 ) and (bondedto (attr store1 < 139.390083947 and attr store1 > 138.590083947 ) or bondedto (attr store1 < 43.9046386844 and attr store1 > 43.1046386844 ))) 6 0.1 0.1 peak 1212 volume 25.61325 ppm1 2.147 ppm2 2.151 ! ############### C13_CNnoesy_manual.1213 folded - assi (attr store1 < 3.333 and attr store1 > 3.233 ) ((attr store1 < 1.74 and attr store1 > 1.68 ) and (bondedto (attr store1 < 139.442083947 and attr store1 > 138.642083947 ) or bondedto (attr store1 < 43.9566386844 and attr store1 > 43.1566386844 ))) 6 0.1 0.1 peak 1213 volume 66.77079 ppm1 1.710 ppm2 3.283 ! ############### C13_CNnoesy_manual.1214 folded - assi (attr store1 < 8.053 and attr store1 > 7.953 ) ((attr store1 < 1.692 and attr store1 > 1.632 ) and (bondedto (attr store1 < 139.395083947 and attr store1 > 138.595083947 ) or bondedto (attr store1 < 43.9096386844 and attr store1 > 43.1096386844 ))) 6 0.1 0.1 peak 1214 volume 27.85466 ppm1 1.662 ppm2 8.003 ! ############### C13_CNnoesy_manual.1215 folded - assi (attr store1 < 1.711 and attr store1 > 1.611 ) ((attr store1 < 1.692 and attr store1 > 1.632 ) and (bondedto (attr store1 < 139.391083947 and attr store1 > 138.591083947 ) or bondedto (attr store1 < 43.9056386844 and attr store1 > 43.1056386844 ))) 6 0.1 0.1 peak 1215 volume 3543.05737 ppm1 1.662 ppm2 1.661 ! ############### C13_CNnoesy_manual.1216 folded - assi (attr store1 < 1.003 and attr store1 > 0.903 ) ((attr store1 < 1.691 and attr store1 > 1.631 ) and (bondedto (attr store1 < 139.410083947 and attr store1 > 138.610083947 ) or bondedto (attr store1 < 43.9246386844 and attr store1 > 43.1246386844 ))) 6 0.1 0.1 peak 1216 volume 44.00104 ppm1 1.661 ppm2 0.953 ! ############### C13_CNnoesy_manual.1217 folded - assi (attr store1 < 4.323 and attr store1 > 4.223 ) ((attr store1 < 1.68 and attr store1 > 1.62 ) and (bondedto (attr store1 < 139.372083947 and attr store1 > 138.572083947 ) or bondedto (attr store1 < 43.8866386844 and attr store1 > 43.0866386844 ))) 6 0.1 0.1 peak 1217 volume 14.62801 ppm1 1.650 ppm2 4.273 ! ############### C13_CNnoesy_manual.1218 folded + assi (attr store1 < 4.722 and attr store1 > 4.622 ) ((attr store1 < 1.496 and attr store1 > 1.436 ) and (bondedto (attr store1 < 115.470722631 and attr store1 > 114.670722631 ) or bondedto (attr store1 < 67.728 and attr store1 > 66.928 ) or bondedto (attr store1 < 19.9852773688 and attr store1 > 19.1852773688 ))) 6 0.1 0.1 peak 1218 volume 5.64408 ppm1 1.466 ppm2 4.672 ! ############### C13_CNnoesy_manual.1219 folded + assi (attr store1 < 4.522 and attr store1 > 4.422 ) ((attr store1 < 1.5 and attr store1 > 1.44 ) and (bondedto (attr store1 < 115.419722631 and attr store1 > 114.619722631 ) or bondedto (attr store1 < 67.677 and attr store1 > 66.877 ) or bondedto (attr store1 < 19.9342773688 and attr store1 > 19.1342773688 ))) 6 0.1 0.1 peak 1219 volume 111.78709 ppm1 1.470 ppm2 4.472 ! ############### C13_CNnoesy_manual.1220 folded + assi (attr store1 < 4.181 and attr store1 > 4.081 ) ((attr store1 < 1.498 and attr store1 > 1.438 ) and (bondedto (attr store1 < 115.413722631 and attr store1 > 114.613722631 ) or bondedto (attr store1 < 67.671 and attr store1 > 66.871 ) or bondedto (attr store1 < 19.9282773688 and attr store1 > 19.1282773688 ))) 6 0.1 0.1 peak 1220 volume 8.39926 ppm1 1.468 ppm2 4.131 ! ############### C13_CNnoesy_manual.1221 folded - assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 7.887 and attr store1 > 7.827 ) and (bondedto (attr store1 < 139.294083947 and attr store1 > 138.494083947 ) or bondedto (attr store1 < 43.8086386844 and attr store1 > 43.0086386844 ))) 6 0.1 0.1 peak 1221 volume 18.38858 ppm1 7.857 ppm2 4.837 ! ############### C13_CNnoesy_manual.1222 folded - assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 7.86 and attr store1 > 7.8 ) and (bondedto (attr store1 < 139.294083947 and attr store1 > 138.494083947 ) or bondedto (attr store1 < 43.8086386844 and attr store1 > 43.0086386844 ))) 6 0.1 0.1 peak 1222 volume 18.66944 ppm1 7.830 ppm2 4.840 ! ############### C13_CNnoesy_manual.1223 folded - assi (attr store1 < 4.063 and attr store1 > 3.963 ) ((attr store1 < 2.821 and attr store1 > 2.761 ) and (bondedto (attr store1 < 139.295083947 and attr store1 > 138.495083947 ) or bondedto (attr store1 < 43.8096386844 and attr store1 > 43.0096386844 ))) 6 0.1 0.1 peak 1223 volume 11.94255 ppm1 2.791 ppm2 4.013 ! ############### C13_CNnoesy_manual.1224 folded - assi (attr store1 < 1.886 and attr store1 > 1.786 ) ((attr store1 < 1.692 and attr store1 > 1.632 ) and (bondedto (attr store1 < 139.316083947 and attr store1 > 138.516083947 ) or bondedto (attr store1 < 43.8306386844 and attr store1 > 43.0306386844 ))) 6 0.1 0.1 peak 1224 volume 38.83051 ppm1 1.662 ppm2 1.836 ! ############### C13_CNnoesy_manual.1225 folded - assi (attr store1 < 1.539 and attr store1 > 1.439 ) ((attr store1 < 1.69 and attr store1 > 1.63 ) and (bondedto (attr store1 < 139.336083947 and attr store1 > 138.536083947 ) or bondedto (attr store1 < 43.8506386844 and attr store1 > 43.0506386844 ))) 6 0.1 0.1 peak 1225 volume 47.10315 ppm1 1.660 ppm2 1.489 ! ############### C13_CNnoesy_manual.1226 folded - assi (attr store1 < 2.841 and attr store1 > 2.741 ) ((attr store1 < 1.215 and attr store1 > 1.155 ) and (bondedto (attr store1 < 139.281083947 and attr store1 > 138.481083947 ) or bondedto (attr store1 < 43.7956386844 and attr store1 > 42.9956386844 ))) 6 0.1 0.1 peak 1226 volume 14.50719 ppm1 1.185 ppm2 2.791 ! ############### C13_CNnoesy_manual.1227 folded + assi (attr store1 < 8.425 and attr store1 > 8.325 ) ((attr store1 < 1.502 and attr store1 > 1.442 ) and (bondedto (attr store1 < 115.367722631 and attr store1 > 114.567722631 ) or bondedto (attr store1 < 67.625 and attr store1 > 66.825 ) or bondedto (attr store1 < 19.8822773688 and attr store1 > 19.0822773688 ))) 6 0.1 0.1 peak 1227 volume 6.40354 ppm1 1.472 ppm2 8.375 ! ############### C13_CNnoesy_manual.1228 folded + assi (attr store1 < 1.523 and attr store1 > 1.423 ) ((attr store1 < 1.502 and attr store1 > 1.442 ) and (bondedto (attr store1 < 115.406722631 and attr store1 > 114.606722631 ) or bondedto (attr store1 < 67.664 and attr store1 > 66.864 ) or bondedto (attr store1 < 19.9212773688 and attr store1 > 19.1212773688 ))) 6 0.1 0.1 peak 1228 volume 8723.61230 ppm1 1.472 ppm2 1.473 ! ############### C13_CNnoesy_manual.1229 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 1.499 and attr store1 > 1.439 ) and (bondedto (attr store1 < 115.395722631 and attr store1 > 114.595722631 ) or bondedto (attr store1 < 67.653 and attr store1 > 66.853 ) or bondedto (attr store1 < 19.9102773688 and attr store1 > 19.1102773688 ))) 6 0.1 0.1 peak 1229 volume 62.13544 ppm1 1.469 ppm2 4.839 ! ############### C13_CNnoesy_manual.1230 folded - assi (attr store1 < 0.923 and attr store1 > 0.823 ) ((attr store1 < 7.888 and attr store1 > 7.828 ) and (bondedto (attr store1 < 139.261083947 and attr store1 > 138.461083947 ) or bondedto (attr store1 < 43.7756386844 and attr store1 > 42.9756386844 ))) 6 0.1 0.1 peak 1230 volume 7.95614 ppm1 7.858 ppm2 0.873 ! ############### C13_CNnoesy_manual.1231 folded - assi (attr store1 < 0.914 and attr store1 > 0.814 ) ((attr store1 < 7.866 and attr store1 > 7.806 ) and (bondedto (attr store1 < 139.264083947 and attr store1 > 138.464083947 ) or bondedto (attr store1 < 43.7786386844 and attr store1 > 42.9786386844 ))) 6 0.1 0.1 peak 1231 volume 8.09653 ppm1 7.836 ppm2 0.864 ! ############### C13_CNnoesy_manual.1232 folded - assi (attr store1 < 7.084 and attr store1 > 6.984 ) ((attr store1 < 2.822 and attr store1 > 2.762 ) and (bondedto (attr store1 < 139.245083947 and attr store1 > 138.445083947 ) or bondedto (attr store1 < 43.7596386844 and attr store1 > 42.9596386844 ))) 6 0.1 0.1 peak 1232 volume 7.46275 ppm1 2.792 ppm2 7.034 ! ############### C13_CNnoesy_manual.1233 folded - assi (attr store1 < 6.773 and attr store1 > 6.673 ) ((attr store1 < 2.819 and attr store1 > 2.759 ) and (bondedto (attr store1 < 139.269083947 and attr store1 > 138.469083947 ) or bondedto (attr store1 < 43.7836386844 and attr store1 > 42.9836386844 ))) 6 0.1 0.1 peak 1233 volume 17.60909 ppm1 2.789 ppm2 6.723 ! ############### C13_CNnoesy_manual.1234 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 2.82 and attr store1 > 2.76 ) and (bondedto (attr store1 < 139.278083947 and attr store1 > 138.478083947 ) or bondedto (attr store1 < 43.7926386844 and attr store1 > 42.9926386844 ))) 6 0.1 0.1 peak 1234 volume 45.1589 ppm1 2.790 ppm2 4.839 ! ############### C13_CNnoesy_manual.1235 folded - assi (attr store1 < 2.84 and attr store1 > 2.74 ) ((attr store1 < 2.819 and attr store1 > 2.759 ) and (bondedto (attr store1 < 139.266083947 and attr store1 > 138.466083947 ) or bondedto (attr store1 < 43.7806386844 and attr store1 > 42.9806386844 ))) 6 0.1 0.1 peak 1235 volume 1158.27478 ppm1 2.789 ppm2 2.790 ! ############### C13_CNnoesy_manual.1236 folded - assi (attr store1 < 1.72 and attr store1 > 1.62 ) ((attr store1 < 2.82 and attr store1 > 2.76 ) and (bondedto (attr store1 < 139.269083947 and attr store1 > 138.469083947 ) or bondedto (attr store1 < 43.7836386844 and attr store1 > 42.9836386844 ))) 6 0.1 0.1 peak 1236 volume 35.94118 ppm1 2.790 ppm2 1.670 ! ############### C13_CNnoesy_manual.1237 folded - assi (attr store1 < 1.464 and attr store1 > 1.364 ) ((attr store1 < 2.821 and attr store1 > 2.761 ) and (bondedto (attr store1 < 139.268083947 and attr store1 > 138.468083947 ) or bondedto (attr store1 < 43.7826386844 and attr store1 > 42.9826386844 ))) 6 0.1 0.1 peak 1237 volume 28.85736 ppm1 2.791 ppm2 1.414 ! ############### C13_CNnoesy_manual.1238 folded - assi (attr store1 < 1.217 and attr store1 > 1.117 ) ((attr store1 < 2.821 and attr store1 > 2.761 ) and (bondedto (attr store1 < 139.261083947 and attr store1 > 138.461083947 ) or bondedto (attr store1 < 43.7756386844 and attr store1 > 42.9756386844 ))) 6 0.1 0.1 peak 1238 volume 62.97831 ppm1 2.791 ppm2 1.167 ! ############### C13_CNnoesy_manual.1239 folded - assi (attr store1 < 2.84 and attr store1 > 2.74 ) ((attr store1 < 1.702 and attr store1 > 1.642 ) and (bondedto (attr store1 < 139.265083947 and attr store1 > 138.465083947 ) or bondedto (attr store1 < 43.7796386844 and attr store1 > 42.9796386844 ))) 6 0.1 0.1 peak 1239 volume 18.42452 ppm1 1.672 ppm2 2.790 ! ############### C13_CNnoesy_manual.1240 folded - assi (attr store1 < 1.082 and attr store1 > 0.982 ) ((attr store1 < 1.073 and attr store1 > 1.013 ) and (bondedto (attr store1 < 139.207083947 and attr store1 > 138.407083947 ) or bondedto (attr store1 < 43.7216386844 and attr store1 > 42.9216386844 ))) 6 0.1 0.1 peak 1240 volume 251.71957 ppm1 1.043 ppm2 1.032 ! ############### C13_CNnoesy_manual.1241 folded - assi (attr store1 < 4.352 and attr store1 > 4.252 ) ((attr store1 < 3.379 and attr store1 > 3.319 ) and (bondedto (attr store1 < 139.144083947 and attr store1 > 138.344083947 ) or bondedto (attr store1 < 43.6586386844 and attr store1 > 42.8586386844 ))) 6 0.1 0.1 peak 1241 volume 23.04045 ppm1 3.349 ppm2 4.302 ! ############### C13_CNnoesy_manual.1242 folded - assi (attr store1 < 3.403 and attr store1 > 3.303 ) ((attr store1 < 3.383 and attr store1 > 3.323 ) and (bondedto (attr store1 < 139.135083947 and attr store1 > 138.335083947 ) or bondedto (attr store1 < 43.6496386844 and attr store1 > 42.8496386844 ))) 6 0.1 0.1 peak 1242 volume 1882.12769 ppm1 3.353 ppm2 3.353 ! ############### C13_CNnoesy_manual.1243 folded - assi (attr store1 < 1.875 and attr store1 > 1.775 ) ((attr store1 < 3.379 and attr store1 > 3.319 ) and (bondedto (attr store1 < 139.138083947 and attr store1 > 138.338083947 ) or bondedto (attr store1 < 43.6526386844 and attr store1 > 42.8526386844 ))) 6 0.1 0.1 peak 1243 volume 64.87701 ppm1 3.349 ppm2 1.825 ! ############### C13_CNnoesy_manual.1244 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 3.37 and attr store1 > 3.31 ) and (bondedto (attr store1 < 139.157083947 and attr store1 > 138.357083947 ) or bondedto (attr store1 < 43.6716386844 and attr store1 > 42.8716386844 ))) 6 0.1 0.1 peak 1244 volume 30.57738 ppm1 3.340 ppm2 4.839 ! ############### C13_CNnoesy_manual.1245 folded - assi (attr store1 < 3.045 and attr store1 > 2.945 ) ((attr store1 < 2.038 and attr store1 > 1.978 ) and (bondedto (attr store1 < 138.749083947 and attr store1 > 137.949083947 ) or bondedto (attr store1 < 43.2636386844 and attr store1 > 42.4636386844 ))) 6 0.1 0.1 peak 1245 volume 6.94387 ppm1 2.008 ppm2 2.995 ! ############### C13_CNnoesy_manual.1246 folded - assi (attr store1 < 1.323 and attr store1 > 1.223 ) ((attr store1 < 2.037 and attr store1 > 1.977 ) and (bondedto (attr store1 < 138.742083947 and attr store1 > 137.942083947 ) or bondedto (attr store1 < 43.2566386844 and attr store1 > 42.4566386844 ))) 6 0.1 0.1 peak 1246 volume 104.46986 ppm1 2.007 ppm2 1.273 ! ############### C13_CNnoesy_manual.1247 folded - assi (attr store1 < 7.685 and attr store1 > 7.585 ) ((attr store1 < 1.912 and attr store1 > 1.852 ) and (bondedto (attr store1 < 138.755083947 and attr store1 > 137.955083947 ) or bondedto (attr store1 < 43.2696386844 and attr store1 > 42.4696386844 ))) 6 0.1 0.1 peak 1247 volume 23.95117 ppm1 1.882 ppm2 7.635 ! ############### C13_CNnoesy_manual.1248 folded - assi (attr store1 < 4.599 and attr store1 > 4.499 ) ((attr store1 < 1.912 and attr store1 > 1.852 ) and (bondedto (attr store1 < 138.744083947 and attr store1 > 137.944083947 ) or bondedto (attr store1 < 43.2586386844 and attr store1 > 42.4586386844 ))) 6 0.1 0.1 peak 1248 volume 23.87968 ppm1 1.882 ppm2 4.549 ! ############### C13_CNnoesy_manual.1249 folded - assi (attr store1 < 1.754 and attr store1 > 1.654 ) ((attr store1 < 1.912 and attr store1 > 1.852 ) and (bondedto (attr store1 < 138.756083947 and attr store1 > 137.956083947 ) or bondedto (attr store1 < 43.2706386844 and attr store1 > 42.4706386844 ))) 6 0.1 0.1 peak 1249 volume 228.00269 ppm1 1.882 ppm2 1.704 ! ############### C13_CNnoesy_manual.1250 folded - assi (attr store1 < 7.683 and attr store1 > 7.583 ) ((attr store1 < 1.728 and attr store1 > 1.668 ) and (bondedto (attr store1 < 138.775083947 and attr store1 > 137.975083947 ) or bondedto (attr store1 < 43.2896386844 and attr store1 > 42.4896386844 ))) 6 0.1 0.1 peak 1250 volume 25.60084 ppm1 1.698 ppm2 7.633 ! ############### C13_CNnoesy_manual.1251 folded - assi (attr store1 < 4.593 and attr store1 > 4.493 ) ((attr store1 < 1.729 and attr store1 > 1.669 ) and (bondedto (attr store1 < 138.740083947 and attr store1 > 137.940083947 ) or bondedto (attr store1 < 43.2546386844 and attr store1 > 42.4546386844 ))) 6 0.1 0.1 peak 1251 volume 31.71129 ppm1 1.699 ppm2 4.543 ! ############### C13_CNnoesy_manual.1252 folded - assi (attr store1 < 1.93 and attr store1 > 1.83 ) ((attr store1 < 1.729 and attr store1 > 1.669 ) and (bondedto (attr store1 < 138.736083947 and attr store1 > 137.936083947 ) or bondedto (attr store1 < 43.2506386844 and attr store1 > 42.4506386844 ))) 6 0.1 0.1 peak 1252 volume 167.19829 ppm1 1.699 ppm2 1.880 ! ############### C13_CNnoesy_manual.1253 folded - assi (attr store1 < 1.322 and attr store1 > 1.222 ) ((attr store1 < 1.306 and attr store1 > 1.246 ) and (bondedto (attr store1 < 138.761083947 and attr store1 > 137.961083947 ) or bondedto (attr store1 < 43.2756386844 and attr store1 > 42.4756386844 ))) 6 0.1 0.1 peak 1253 volume 137.92612 ppm1 1.276 ppm2 1.272 ! ############### C13_CNnoesy_manual.1254 folded - assi (attr store1 < 8.705 and attr store1 > 8.605 ) ((attr store1 < 1.301 and attr store1 > 1.241 ) and (bondedto (attr store1 < 138.794083947 and attr store1 > 137.994083947 ) or bondedto (attr store1 < 43.3086386844 and attr store1 > 42.5086386844 ))) 6 0.1 0.1 peak 1254 volume 9.17352 ppm1 1.271 ppm2 8.655 ! ############### C13_CNnoesy_manual.1255 folded - assi (attr store1 < 8.463 and attr store1 > 8.363 ) ((attr store1 < 1.3 and attr store1 > 1.24 ) and (bondedto (attr store1 < 138.765083947 and attr store1 > 137.965083947 ) or bondedto (attr store1 < 43.2796386844 and attr store1 > 42.4796386844 ))) 6 0.1 0.1 peak 1255 volume 17.76391 ppm1 1.270 ppm2 8.413 ! ############### C13_CNnoesy_manual.1256 folded - assi (attr store1 < 4.128 and attr store1 > 4.028 ) ((attr store1 < 1.302 and attr store1 > 1.242 ) and (bondedto (attr store1 < 138.766083947 and attr store1 > 137.966083947 ) or bondedto (attr store1 < 43.2806386844 and attr store1 > 42.4806386844 ))) 6 0.1 0.1 peak 1256 volume 22.11522 ppm1 1.272 ppm2 4.078 ! ############### C13_CNnoesy_manual.1257 folded - assi (attr store1 < 3.526 and attr store1 > 3.426 ) ((attr store1 < 1.304 and attr store1 > 1.244 ) and (bondedto (attr store1 < 138.767083947 and attr store1 > 137.967083947 ) or bondedto (attr store1 < 43.2816386844 and attr store1 > 42.4816386844 ))) 6 0.1 0.1 peak 1257 volume 8.29839 ppm1 1.274 ppm2 3.476 ! ############### C13_CNnoesy_manual.1258 folded - assi (attr store1 < 3.045 and attr store1 > 2.945 ) ((attr store1 < 1.296 and attr store1 > 1.236 ) and (bondedto (attr store1 < 138.721083947 and attr store1 > 137.921083947 ) or bondedto (attr store1 < 43.2356386844 and attr store1 > 42.4356386844 ))) 6 0.1 0.1 peak 1258 volume 11.43202 ppm1 1.266 ppm2 2.995 ! ############### C13_CNnoesy_manual.1259 folded - assi (attr store1 < 2.476 and attr store1 > 2.376 ) ((attr store1 < 1.3 and attr store1 > 1.24 ) and (bondedto (attr store1 < 138.779083947 and attr store1 > 137.979083947 ) or bondedto (attr store1 < 43.2936386844 and attr store1 > 42.4936386844 ))) 6 0.1 0.1 peak 1259 volume 12.41468 ppm1 1.270 ppm2 2.426 ! ############### C13_CNnoesy_manual.1260 folded - assi (attr store1 < 2.057 and attr store1 > 1.957 ) ((attr store1 < 1.301 and attr store1 > 1.241 ) and (bondedto (attr store1 < 138.748083947 and attr store1 > 137.948083947 ) or bondedto (attr store1 < 43.2626386844 and attr store1 > 42.4626386844 ))) 6 0.1 0.1 peak 1260 volume 102.99393 ppm1 1.271 ppm2 2.007 ! ############### C13_CNnoesy_manual.1261 folded - assi (attr store1 < 1.855 and attr store1 > 1.755 ) ((attr store1 < 1.301 and attr store1 > 1.241 ) and (bondedto (attr store1 < 138.748083947 and attr store1 > 137.948083947 ) or bondedto (attr store1 < 43.2626386844 and attr store1 > 42.4626386844 ))) 6 0.1 0.1 peak 1261 volume 23.98557 ppm1 1.271 ppm2 1.805 ! ############### C13_CNnoesy_manual.1262 folded - assi (attr store1 < 0.833 and attr store1 > 0.733 ) ((attr store1 < 1.301 and attr store1 > 1.241 ) and (bondedto (attr store1 < 138.759083947 and attr store1 > 137.959083947 ) or bondedto (attr store1 < 43.2736386844 and attr store1 > 42.4736386844 ))) 6 0.1 0.1 peak 1262 volume 55.33488 ppm1 1.271 ppm2 0.783 ! ############### C13_CNnoesy_manual.1263 folded - assi (attr store1 < 8.707 and attr store1 > 8.607 ) ((attr store1 < 2.038 and attr store1 > 1.978 ) and (bondedto (attr store1 < 138.635083947 and attr store1 > 137.835083947 ) or bondedto (attr store1 < 43.1496386844 and attr store1 > 42.3496386844 ))) 6 0.1 0.1 peak 1263 volume 28.35498 ppm1 2.008 ppm2 8.657 ! ############### C13_CNnoesy_manual.1264 folded - assi (attr store1 < 3.525 and attr store1 > 3.425 ) ((attr store1 < 2.042 and attr store1 > 1.982 ) and (bondedto (attr store1 < 138.696083947 and attr store1 > 137.896083947 ) or bondedto (attr store1 < 43.2106386844 and attr store1 > 42.4106386844 ))) 6 0.1 0.1 peak 1264 volume 14.18198 ppm1 2.012 ppm2 3.475 ! ############### C13_CNnoesy_manual.1265 folded - assi (attr store1 < 0.843 and attr store1 > 0.743 ) ((attr store1 < 2.045 and attr store1 > 1.985 ) and (bondedto (attr store1 < 138.692083947 and attr store1 > 137.892083947 ) or bondedto (attr store1 < 43.2066386844 and attr store1 > 42.4066386844 ))) 6 0.1 0.1 peak 1265 volume 79.21827 ppm1 2.015 ppm2 0.793 ! ############### C13_CNnoesy_manual.1266 folded - assi (attr store1 < 8.493 and attr store1 > 8.393 ) ((attr store1 < 2.034 and attr store1 > 1.974 ) and (bondedto (attr store1 < 138.652083947 and attr store1 > 137.852083947 ) or bondedto (attr store1 < 43.1666386844 and attr store1 > 42.3666386844 ))) 6 0.1 0.1 peak 1266 volume 46.84703 ppm1 2.004 ppm2 8.443 ! ############### C13_CNnoesy_manual.1267 folded - assi (attr store1 < 4.885 and attr store1 > 4.785 ) ((attr store1 < 1.905 and attr store1 > 1.845 ) and (bondedto (attr store1 < 138.704083947 and attr store1 > 137.904083947 ) or bondedto (attr store1 < 43.2186386844 and attr store1 > 42.4186386844 ))) 6 0.1 0.1 peak 1267 volume 8.5155 ppm1 1.875 ppm2 4.835 ! ############### C13_CNnoesy_manual.1268 folded - assi (attr store1 < 1.08 and attr store1 > 0.98 ) ((attr store1 < 1.902 and attr store1 > 1.842 ) and (bondedto (attr store1 < 138.633083947 and attr store1 > 137.833083947 ) or bondedto (attr store1 < 43.1476386844 and attr store1 > 42.3476386844 ))) 6 0.1 0.1 peak 1268 volume 89.37364 ppm1 1.872 ppm2 1.030 ! ############### C13_CNnoesy_manual.1269 folded - assi (attr store1 < 1.084 and attr store1 > 0.984 ) ((attr store1 < 1.729 and attr store1 > 1.669 ) and (bondedto (attr store1 < 138.659083947 and attr store1 > 137.859083947 ) or bondedto (attr store1 < 43.1736386844 and attr store1 > 42.3736386844 ))) 6 0.1 0.1 peak 1269 volume 85.10616 ppm1 1.699 ppm2 1.034 ! ############### C13_CNnoesy_manual.1270 folded - assi (attr store1 < 0.933 and attr store1 > 0.833 ) ((attr store1 < 1.515 and attr store1 > 1.455 ) and (bondedto (attr store1 < 138.669083947 and attr store1 > 137.869083947 ) or bondedto (attr store1 < 43.1836386844 and attr store1 > 42.3836386844 ))) 6 0.1 0.1 peak 1270 volume 39.14211 ppm1 1.485 ppm2 0.883 ! ############### C13_CNnoesy_manual.1271 folded + assi (attr store1 < 8.739 and attr store1 > 8.639 ) ((attr store1 < 3.503 and attr store1 > 3.443 ) and (bondedto (attr store1 < 114.679722631 and attr store1 > 113.879722631 ) or bondedto (attr store1 < 66.937 and attr store1 > 66.137 ) or bondedto (attr store1 < 19.1942773688 and attr store1 > 18.3942773688 ))) 6 0.1 0.1 peak 1271 volume 28.95572 ppm1 3.473 ppm2 8.689 ! ############### C13_CNnoesy_manual.1272 folded + assi (attr store1 < 8.464 and attr store1 > 8.364 ) ((attr store1 < 3.502 and attr store1 > 3.442 ) and (bondedto (attr store1 < 114.665722631 and attr store1 > 113.865722631 ) or bondedto (attr store1 < 66.923 and attr store1 > 66.123 ) or bondedto (attr store1 < 19.1802773688 and attr store1 > 18.3802773688 ))) 6 0.1 0.1 peak 1272 volume 11.32563 ppm1 3.472 ppm2 8.414 ! ############### C13_CNnoesy_manual.1273 folded + assi (attr store1 < 8.063 and attr store1 > 7.963 ) ((attr store1 < 3.503 and attr store1 > 3.443 ) and (bondedto (attr store1 < 114.681722631 and attr store1 > 113.881722631 ) or bondedto (attr store1 < 66.939 and attr store1 > 66.139 ) or bondedto (attr store1 < 19.1962773688 and attr store1 > 18.3962773688 ))) 6 0.1 0.1 peak 1273 volume 10.71173 ppm1 3.473 ppm2 8.013 ! ############### C13_CNnoesy_manual.1274 folded + assi (attr store1 < 4.491 and attr store1 > 4.391 ) ((attr store1 < 3.502 and attr store1 > 3.442 ) and (bondedto (attr store1 < 114.670722631 and attr store1 > 113.870722631 ) or bondedto (attr store1 < 66.928 and attr store1 > 66.128 ) or bondedto (attr store1 < 19.1852773688 and attr store1 > 18.3852773688 ))) 6 0.1 0.1 peak 1274 volume 7.26140 ppm1 3.472 ppm2 4.441 ! ############### C13_CNnoesy_manual.1275 folded + assi (attr store1 < 4.26 and attr store1 > 4.16 ) ((attr store1 < 3.502 and attr store1 > 3.442 ) and (bondedto (attr store1 < 114.666722631 and attr store1 > 113.866722631 ) or bondedto (attr store1 < 66.924 and attr store1 > 66.124 ) or bondedto (attr store1 < 19.1812773688 and attr store1 > 18.3812773688 ))) 6 0.1 0.1 peak 1275 volume 7.76573 ppm1 3.472 ppm2 4.210 ! ############### C13_CNnoesy_manual.1276 folded + assi (attr store1 < 2.063 and attr store1 > 1.963 ) ((attr store1 < 3.503 and attr store1 > 3.443 ) and (bondedto (attr store1 < 114.674722631 and attr store1 > 113.874722631 ) or bondedto (attr store1 < 66.932 and attr store1 > 66.132 ) or bondedto (attr store1 < 19.1892773688 and attr store1 > 18.3892773688 ))) 6 0.1 0.1 peak 1276 volume 63.42658 ppm1 3.473 ppm2 2.013 ! ############### C13_CNnoesy_manual.1277 folded + assi (attr store1 < 1.86 and attr store1 > 1.76 ) ((attr store1 < 3.501 and attr store1 > 3.441 ) and (bondedto (attr store1 < 114.669722631 and attr store1 > 113.869722631 ) or bondedto (attr store1 < 66.927 and attr store1 > 66.127 ) or bondedto (attr store1 < 19.1842773688 and attr store1 > 18.3842773688 ))) 6 0.1 0.1 peak 1277 volume 11.67243 ppm1 3.471 ppm2 1.810 ! ############### C13_CNnoesy_manual.1278 folded + assi (attr store1 < 1.45 and attr store1 > 1.35 ) ((attr store1 < 3.502 and attr store1 > 3.442 ) and (bondedto (attr store1 < 114.670722631 and attr store1 > 113.870722631 ) or bondedto (attr store1 < 66.928 and attr store1 > 66.128 ) or bondedto (attr store1 < 19.1852773688 and attr store1 > 18.3852773688 ))) 6 0.1 0.1 peak 1278 volume 39.80687 ppm1 3.472 ppm2 1.400 ! ############### C13_CNnoesy_manual.1279 folded + assi (attr store1 < 0.136 and attr store1 > 0.036 ) ((attr store1 < 1.597 and attr store1 > 1.537 ) and (bondedto (attr store1 < 114.699722631 and attr store1 > 113.899722631 ) or bondedto (attr store1 < 66.957 and attr store1 > 66.157 ) or bondedto (attr store1 < 19.2142773688 and attr store1 > 18.4142773688 ))) 6 0.1 0.1 peak 1279 volume 12.52531 ppm1 1.567 ppm2 0.086 ! ############### C13_CNnoesy_manual.1280 folded - assi (attr store1 < 8.239 and attr store1 > 8.139 ) ((attr store1 < 2.071 and attr store1 > 2.011 ) and (bondedto (attr store1 < 138.603083947 and attr store1 > 137.803083947 ) or bondedto (attr store1 < 43.1176386844 and attr store1 > 42.3176386844 ))) 6 0.1 0.1 peak 1280 volume 18.99181 ppm1 2.041 ppm2 8.189 ! ############### C13_CNnoesy_manual.1281 folded - assi (attr store1 < 3.855 and attr store1 > 3.755 ) ((attr store1 < 2.068 and attr store1 > 2.008 ) and (bondedto (attr store1 < 138.594083947 and attr store1 > 137.794083947 ) or bondedto (attr store1 < 43.1086386844 and attr store1 > 42.3086386844 ))) 6 0.1 0.1 peak 1281 volume 17.05953 ppm1 2.038 ppm2 3.805 ! ############### C13_CNnoesy_manual.1282 folded - assi (attr store1 < 1.546 and attr store1 > 1.446 ) ((attr store1 < 2.07 and attr store1 > 2.01 ) and (bondedto (attr store1 < 138.600083947 and attr store1 > 137.800083947 ) or bondedto (attr store1 < 43.1146386844 and attr store1 > 42.3146386844 ))) 6 0.1 0.1 peak 1282 volume 93.54454 ppm1 2.040 ppm2 1.496 ! ############### C13_CNnoesy_manual.1283 folded - assi (attr store1 < 4.249 and attr store1 > 4.149 ) ((attr store1 < 2.042 and attr store1 > 1.982 ) and (bondedto (attr store1 < 138.565083947 and attr store1 > 137.765083947 ) or bondedto (attr store1 < 43.0796386844 and attr store1 > 42.2796386844 ))) 6 0.1 0.1 peak 1283 volume 35.82825 ppm1 2.012 ppm2 4.199 ! ############### C13_CNnoesy_manual.1284 folded - assi (attr store1 < 4.102 and attr store1 > 4.002 ) ((attr store1 < 2.036 and attr store1 > 1.976 ) and (bondedto (attr store1 < 138.618083947 and attr store1 > 137.818083947 ) or bondedto (attr store1 < 43.1326386844 and attr store1 > 42.3326386844 ))) 6 0.1 0.1 peak 1284 volume 37.31067 ppm1 2.006 ppm2 4.052 ! ############### C13_CNnoesy_manual.1285 folded - assi (attr store1 < 2.056 and attr store1 > 1.956 ) ((attr store1 < 2.037 and attr store1 > 1.977 ) and (bondedto (attr store1 < 138.617083947 and attr store1 > 137.817083947 ) or bondedto (attr store1 < 43.1316386844 and attr store1 > 42.3316386844 ))) 6 0.1 0.1 peak 1285 volume 345.89676 ppm1 2.007 ppm2 2.006 ! ############### C13_CNnoesy_manual.1286 folded - assi (attr store1 < 1.911 and attr store1 > 1.811 ) ((attr store1 < 2.032 and attr store1 > 1.972 ) and (bondedto (attr store1 < 138.552083947 and attr store1 > 137.752083947 ) or bondedto (attr store1 < 43.0666386844 and attr store1 > 42.2666386844 ))) 6 0.1 0.1 peak 1286 volume 224.7805 ppm1 2.002 ppm2 1.861 ! ############### C13_CNnoesy_manual.1287 folded - assi (attr store1 < 1.919 and attr store1 > 1.819 ) ((attr store1 < 1.897 and attr store1 > 1.837 ) and (bondedto (attr store1 < 138.624083947 and attr store1 > 137.824083947 ) or bondedto (attr store1 < 43.1386386844 and attr store1 > 42.3386386844 ))) 6 0.1 0.1 peak 1287 volume 475.00101 ppm1 1.867 ppm2 1.869 ! ############### C13_CNnoesy_manual.1288 folded - assi (attr store1 < 8.69 and attr store1 > 8.59 ) ((attr store1 < 1.891 and attr store1 > 1.831 ) and (bondedto (attr store1 < 138.554083947 and attr store1 > 137.754083947 ) or bondedto (attr store1 < 43.0686386844 and attr store1 > 42.2686386844 ))) 6 0.1 0.1 peak 1288 volume 16.45791 ppm1 1.861 ppm2 8.640 ! ############### C13_CNnoesy_manual.1289 folded - assi (attr store1 < 4.257 and attr store1 > 4.157 ) ((attr store1 < 1.89 and attr store1 > 1.83 ) and (bondedto (attr store1 < 138.540083947 and attr store1 > 137.740083947 ) or bondedto (attr store1 < 43.0546386844 and attr store1 > 42.2546386844 ))) 6 0.1 0.1 peak 1289 volume 31.79191 ppm1 1.860 ppm2 4.207 ! ############### C13_CNnoesy_manual.1290 folded + assi (attr store1 < 3.524 and attr store1 > 3.424 ) ((attr store1 < 3.503 and attr store1 > 3.443 ) and (bondedto (attr store1 < 114.659722631 and attr store1 > 113.859722631 ) or bondedto (attr store1 < 66.917 and attr store1 > 66.117 ) or bondedto (attr store1 < 19.1742773688 and attr store1 > 18.3742773688 ))) 6 0.1 0.1 peak 1290 volume 395.59158 ppm1 3.473 ppm2 3.474 ! ############### C13_CNnoesy_manual.1291 folded + assi (attr store1 < 1.081 and attr store1 > 0.981 ) ((attr store1 < 3.503 and attr store1 > 3.443 ) and (bondedto (attr store1 < 114.660722631 and attr store1 > 113.860722631 ) or bondedto (attr store1 < 66.918 and attr store1 > 66.118 ) or bondedto (attr store1 < 19.1752773688 and attr store1 > 18.3752773688 ))) 6 0.1 0.1 peak 1291 volume 51.37854 ppm1 3.473 ppm2 1.031 ! ############### C13_CNnoesy_manual.1292 folded + assi (attr store1 < 0.929 and attr store1 > 0.829 ) ((attr store1 < 3.505 and attr store1 > 3.445 ) and (bondedto (attr store1 < 114.652722631 and attr store1 > 113.852722631 ) or bondedto (attr store1 < 66.91 and attr store1 > 66.11 ) or bondedto (attr store1 < 19.1672773688 and attr store1 > 18.3672773688 ))) 6 0.1 0.1 peak 1292 volume 69.18172 ppm1 3.475 ppm2 0.879 ! ############### C13_CNnoesy_manual.1293 folded + assi (attr store1 < 8.072 and attr store1 > 7.972 ) ((attr store1 < 1.597 and attr store1 > 1.537 ) and (bondedto (attr store1 < 114.625722631 and attr store1 > 113.825722631 ) or bondedto (attr store1 < 66.883 and attr store1 > 66.083 ) or bondedto (attr store1 < 19.1402773688 and attr store1 > 18.3402773688 ))) 6 0.1 0.1 peak 1293 volume 130.40518 ppm1 1.567 ppm2 8.022 ! ############### C13_CNnoesy_manual.1294 folded + assi (attr store1 < 0.801 and attr store1 > 0.701 ) ((attr store1 < 1.596 and attr store1 > 1.536 ) and (bondedto (attr store1 < 114.627722631 and attr store1 > 113.827722631 ) or bondedto (attr store1 < 66.885 and attr store1 > 66.085 ) or bondedto (attr store1 < 19.1422773688 and attr store1 > 18.3422773688 ))) 6 0.1 0.1 peak 1294 volume 213.28435 ppm1 1.566 ppm2 0.751 ! ############### C13_CNnoesy_manual.1295 folded + assi (attr store1 < 8.737 and attr store1 > 8.637 ) ((attr store1 < 1.556 and attr store1 > 1.496 ) and (bondedto (attr store1 < 114.611722631 and attr store1 > 113.811722631 ) or bondedto (attr store1 < 66.869 and attr store1 > 66.069 ) or bondedto (attr store1 < 19.1262773688 and attr store1 > 18.3262773688 ))) 6 0.1 0.1 peak 1295 volume 36.72739 ppm1 1.526 ppm2 8.687 ! ############### C13_CNnoesy_manual.1296 folded + assi (attr store1 < 7.789 and attr store1 > 7.689 ) ((attr store1 < 1.554 and attr store1 > 1.494 ) and (bondedto (attr store1 < 114.623722631 and attr store1 > 113.823722631 ) or bondedto (attr store1 < 66.881 and attr store1 > 66.081 ) or bondedto (attr store1 < 19.1382773688 and attr store1 > 18.3382773688 ))) 6 0.1 0.1 peak 1296 volume 94.38865 ppm1 1.524 ppm2 7.739 ! ############### C13_CNnoesy_manual.1297 folded + assi (attr store1 < 4.109 and attr store1 > 4.009 ) ((attr store1 < 1.557 and attr store1 > 1.497 ) and (bondedto (attr store1 < 114.609722631 and attr store1 > 113.809722631 ) or bondedto (attr store1 < 66.867 and attr store1 > 66.067 ) or bondedto (attr store1 < 19.1242773688 and attr store1 > 18.3242773688 ))) 6 0.1 0.1 peak 1297 volume 145.02373 ppm1 1.527 ppm2 4.059 ! ############### C13_CNnoesy_manual.1298 folded + assi (attr store1 < 3.517 and attr store1 > 3.417 ) ((attr store1 < 1.559 and attr store1 > 1.499 ) and (bondedto (attr store1 < 114.583722631 and attr store1 > 113.783722631 ) or bondedto (attr store1 < 66.841 and attr store1 > 66.041 ) or bondedto (attr store1 < 19.0982773688 and attr store1 > 18.2982773688 ))) 6 0.1 0.1 peak 1298 volume 6.54423 ppm1 1.529 ppm2 3.467 ! ############### C13_CNnoesy_manual.1299 folded + assi (attr store1 < 2.643 and attr store1 > 2.543 ) ((attr store1 < 1.554 and attr store1 > 1.494 ) and (bondedto (attr store1 < 114.615722631 and attr store1 > 113.815722631 ) or bondedto (attr store1 < 66.873 and attr store1 > 66.073 ) or bondedto (attr store1 < 19.1302773688 and attr store1 > 18.3302773688 ))) 6 0.1 0.1 peak 1299 volume 34.24100 ppm1 1.524 ppm2 2.593 ! ############### C13_CNnoesy_manual.1300 folded + assi (attr store1 < 2.433 and attr store1 > 2.333 ) ((attr store1 < 1.556 and attr store1 > 1.496 ) and (bondedto (attr store1 < 114.615722631 and attr store1 > 113.815722631 ) or bondedto (attr store1 < 66.873 and attr store1 > 66.073 ) or bondedto (attr store1 < 19.1302773688 and attr store1 > 18.3302773688 ))) 6 0.1 0.1 peak 1300 volume 28.84854 ppm1 1.526 ppm2 2.383 ! ############### C13_CNnoesy_manual.1301 folded + assi (attr store1 < 1.582 and attr store1 > 1.482 ) ((attr store1 < 1.558 and attr store1 > 1.498 ) and (bondedto (attr store1 < 114.604722631 and attr store1 > 113.804722631 ) or bondedto (attr store1 < 66.862 and attr store1 > 66.062 ) or bondedto (attr store1 < 19.1192773688 and attr store1 > 18.3192773688 ))) 6 0.1 0.1 peak 1301 volume 2653.55664 ppm1 1.528 ppm2 1.532 ! ############### C13_CNnoesy_manual.1302 folded + assi (attr store1 < 0.818 and attr store1 > 0.718 ) ((attr store1 < 1.564 and attr store1 > 1.504 ) and (bondedto (attr store1 < 114.617722631 and attr store1 > 113.817722631 ) or bondedto (attr store1 < 66.875 and attr store1 > 66.075 ) or bondedto (attr store1 < 19.1322773688 and attr store1 > 18.3322773688 ))) 6 0.1 0.1 peak 1302 volume 140.70163 ppm1 1.534 ppm2 0.768 ! ############### C13_CNnoesy_manual.1303 folded - assi (attr store1 < 8.519 and attr store1 > 8.419 ) ((attr store1 < 1.89 and attr store1 > 1.83 ) and (bondedto (attr store1 < 138.528083947 and attr store1 > 137.728083947 ) or bondedto (attr store1 < 43.0426386844 and attr store1 > 42.2426386844 ))) 6 0.1 0.1 peak 1303 volume 28.19529 ppm1 1.860 ppm2 8.469 ! ############### C13_CNnoesy_manual.1304 folded - assi (attr store1 < 4.087 and attr store1 > 3.987 ) ((attr store1 < 1.889 and attr store1 > 1.829 ) and (bondedto (attr store1 < 138.520083947 and attr store1 > 137.720083947 ) or bondedto (attr store1 < 43.0346386844 and attr store1 > 42.2346386844 ))) 6 0.1 0.1 peak 1304 volume 24.03581 ppm1 1.859 ppm2 4.037 ! ############### C13_CNnoesy_manual.1305 folded - assi (attr store1 < 4.886 and attr store1 > 4.786 ) ((attr store1 < 1.736 and attr store1 > 1.676 ) and (bondedto (attr store1 < 138.489083947 and attr store1 > 137.689083947 ) or bondedto (attr store1 < 43.0036386844 and attr store1 > 42.2036386844 ))) 6 0.1 0.1 peak 1305 volume 19.6155 ppm1 1.706 ppm2 4.836 ! ############### C13_CNnoesy_manual.1306 folded - assi (attr store1 < 1.741 and attr store1 > 1.641 ) ((attr store1 < 1.743 and attr store1 > 1.683 ) and (bondedto (attr store1 < 138.478083947 and attr store1 > 137.678083947 ) or bondedto (attr store1 < 42.9926386844 and attr store1 > 42.1926386844 ))) 6 0.1 0.1 peak 1306 volume 1081.47095 ppm1 1.713 ppm2 1.691 ! ############### C13_CNnoesy_manual.1307 folded + assi (attr store1 < 7.861 and attr store1 > 7.761 ) ((attr store1 < 3.759 and attr store1 > 3.699 ) and (bondedto (attr store1 < 114.534722631 and attr store1 > 113.734722631 ) or bondedto (attr store1 < 66.792 and attr store1 > 65.992 ) or bondedto (attr store1 < 19.0492773688 and attr store1 > 18.2492773688 ))) 6 0.1 0.1 peak 1307 volume 11.09785 ppm1 3.729 ppm2 7.811 ! ############### C13_CNnoesy_manual.1308 folded + assi (attr store1 < 7.361 and attr store1 > 7.261 ) ((attr store1 < 3.76 and attr store1 > 3.7 ) and (bondedto (attr store1 < 114.521722631 and attr store1 > 113.721722631 ) or bondedto (attr store1 < 66.779 and attr store1 > 65.979 ) or bondedto (attr store1 < 19.0362773688 and attr store1 > 18.2362773688 ))) 6 0.1 0.1 peak 1308 volume 12.83422 ppm1 3.730 ppm2 7.311 ! ############### C13_CNnoesy_manual.1309 folded + assi (attr store1 < 7.174 and attr store1 > 7.074 ) ((attr store1 < 3.761 and attr store1 > 3.701 ) and (bondedto (attr store1 < 114.514722631 and attr store1 > 113.714722631 ) or bondedto (attr store1 < 66.772 and attr store1 > 65.972 ) or bondedto (attr store1 < 19.0292773688 and attr store1 > 18.2292773688 ))) 6 0.1 0.1 peak 1309 volume 37.51464 ppm1 3.731 ppm2 7.124 ! ############### C13_CNnoesy_manual.1310 folded + assi (attr store1 < 3.78 and attr store1 > 3.68 ) ((attr store1 < 3.76 and attr store1 > 3.7 ) and (bondedto (attr store1 < 114.514722631 and attr store1 > 113.714722631 ) or bondedto (attr store1 < 66.772 and attr store1 > 65.972 ) or bondedto (attr store1 < 19.0292773688 and attr store1 > 18.2292773688 ))) 6 0.1 0.1 peak 1310 volume 834.70471 ppm1 3.730 ppm2 3.730 ! ############### C13_CNnoesy_manual.1311 folded + assi (attr store1 < 2.32 and attr store1 > 2.22 ) ((attr store1 < 3.76 and attr store1 > 3.7 ) and (bondedto (attr store1 < 114.513722631 and attr store1 > 113.713722631 ) or bondedto (attr store1 < 66.771 and attr store1 > 65.971 ) or bondedto (attr store1 < 19.0282773688 and attr store1 > 18.2282773688 ))) 6 0.1 0.1 peak 1311 volume 41.75832 ppm1 3.730 ppm2 2.270 ! ############### C13_CNnoesy_manual.1312 folded + assi (attr store1 < 2.029 and attr store1 > 1.929 ) ((attr store1 < 3.76 and attr store1 > 3.7 ) and (bondedto (attr store1 < 114.516722631 and attr store1 > 113.716722631 ) or bondedto (attr store1 < 66.774 and attr store1 > 65.974 ) or bondedto (attr store1 < 19.0312773688 and attr store1 > 18.2312773688 ))) 6 0.1 0.1 peak 1312 volume 39.70766 ppm1 3.730 ppm2 1.979 ! ############### C13_CNnoesy_manual.1313 folded + assi (attr store1 < 1.808 and attr store1 > 1.708 ) ((attr store1 < 3.76 and attr store1 > 3.7 ) and (bondedto (attr store1 < 114.508722631 and attr store1 > 113.708722631 ) or bondedto (attr store1 < 66.766 and attr store1 > 65.966 ) or bondedto (attr store1 < 19.0232773688 and attr store1 > 18.2232773688 ))) 6 0.1 0.1 peak 1313 volume 19.65587 ppm1 3.730 ppm2 1.758 ! ############### C13_CNnoesy_manual.1314 folded + assi (attr store1 < 1.292 and attr store1 > 1.192 ) ((attr store1 < 3.76 and attr store1 > 3.7 ) and (bondedto (attr store1 < 114.515722631 and attr store1 > 113.715722631 ) or bondedto (attr store1 < 66.773 and attr store1 > 65.973 ) or bondedto (attr store1 < 19.0302773688 and attr store1 > 18.2302773688 ))) 6 0.1 0.1 peak 1314 volume 103.42814 ppm1 3.730 ppm2 1.242 ! ############### C13_CNnoesy_manual.1315 folded + assi (attr store1 < 1.092 and attr store1 > 0.992 ) ((attr store1 < 3.76 and attr store1 > 3.7 ) and (bondedto (attr store1 < 114.512722631 and attr store1 > 113.712722631 ) or bondedto (attr store1 < 66.77 and attr store1 > 65.97 ) or bondedto (attr store1 < 19.0272773688 and attr store1 > 18.2272773688 ))) 6 0.1 0.1 peak 1315 volume 81.02277 ppm1 3.730 ppm2 1.042 ! ############### C13_CNnoesy_manual.1316 folded + assi (attr store1 < 6.785 and attr store1 > 6.685 ) ((attr store1 < 1.608 and attr store1 > 1.548 ) and (bondedto (attr store1 < 114.476722631 and attr store1 > 113.676722631 ) or bondedto (attr store1 < 66.734 and attr store1 > 65.934 ) or bondedto (attr store1 < 18.9912773688 and attr store1 > 18.1912773688 ))) 6 0.1 0.1 peak 1316 volume 9.06213 ppm1 1.578 ppm2 6.735 ! ############### C13_CNnoesy_manual.1317 folded + assi (attr store1 < 8.732 and attr store1 > 8.632 ) ((attr store1 < 1.593 and attr store1 > 1.533 ) and (bondedto (attr store1 < 114.534722631 and attr store1 > 113.734722631 ) or bondedto (attr store1 < 66.792 and attr store1 > 65.992 ) or bondedto (attr store1 < 19.0492773688 and attr store1 > 18.2492773688 ))) 6 0.1 0.1 peak 1317 volume 22.15481 ppm1 1.563 ppm2 8.682 ! ############### C13_CNnoesy_manual.1318 folded + assi (attr store1 < 4.11 and attr store1 > 4.01 ) ((attr store1 < 1.602 and attr store1 > 1.542 ) and (bondedto (attr store1 < 114.516722631 and attr store1 > 113.716722631 ) or bondedto (attr store1 < 66.774 and attr store1 > 65.974 ) or bondedto (attr store1 < 19.0312773688 and attr store1 > 18.2312773688 ))) 6 0.1 0.1 peak 1318 volume 165.12729 ppm1 1.572 ppm2 4.060 ! ############### C13_CNnoesy_manual.1319 folded + assi (attr store1 < 1.619 and attr store1 > 1.519 ) ((attr store1 < 1.603 and attr store1 > 1.543 ) and (bondedto (attr store1 < 114.497722631 and attr store1 > 113.697722631 ) or bondedto (attr store1 < 66.755 and attr store1 > 65.955 ) or bondedto (attr store1 < 19.0122773688 and attr store1 > 18.2122773688 ))) 6 0.1 0.1 peak 1319 volume 4889.18115 ppm1 1.573 ppm2 1.569 ! ############### C13_CNnoesy_manual.1320 folded - assi (attr store1 < 4.36 and attr store1 > 4.26 ) ((attr store1 < 3.159 and attr store1 > 3.099 ) and (bondedto (attr store1 < 138.349083947 and attr store1 > 137.549083947 ) or bondedto (attr store1 < 42.8636386844 and attr store1 > 42.0636386844 ))) 6 0.1 0.1 peak 1320 volume 14.16586 ppm1 3.129 ppm2 4.310 ! ############### C13_CNnoesy_manual.1321 folded - assi (attr store1 < 1.083 and attr store1 > 0.983 ) ((attr store1 < 3.16 and attr store1 > 3.1 ) and (bondedto (attr store1 < 138.361083947 and attr store1 > 137.561083947 ) or bondedto (attr store1 < 42.8756386844 and attr store1 > 42.0756386844 ))) 6 0.1 0.1 peak 1321 volume 35.01947 ppm1 3.130 ppm2 1.033 ! ############### C13_CNnoesy_manual.1322 folded - assi (attr store1 < 0.965 and attr store1 > 0.865 ) ((attr store1 < 3.159 and attr store1 > 3.099 ) and (bondedto (attr store1 < 138.355083947 and attr store1 > 137.555083947 ) or bondedto (attr store1 < 42.8696386844 and attr store1 > 42.0696386844 ))) 6 0.1 0.1 peak 1322 volume 20.1206 ppm1 3.129 ppm2 0.915 ! ############### C13_CNnoesy_manual.1323 folded - assi (attr store1 < 4.486 and attr store1 > 4.386 ) ((attr store1 < 1.745 and attr store1 > 1.685 ) and (bondedto (attr store1 < 138.423083947 and attr store1 > 137.623083947 ) or bondedto (attr store1 < 42.9376386844 and attr store1 > 42.1376386844 ))) 6 0.1 0.1 peak 1323 volume 30.36719 ppm1 1.715 ppm2 4.436 ! ############### C13_CNnoesy_manual.1324 folded - assi (attr store1 < 4.481 and attr store1 > 4.381 ) ((attr store1 < 1.702 and attr store1 > 1.642 ) and (bondedto (attr store1 < 138.409083947 and attr store1 > 137.609083947 ) or bondedto (attr store1 < 42.9236386844 and attr store1 > 42.1236386844 ))) 6 0.1 0.1 peak 1324 volume 29.7384 ppm1 1.672 ppm2 4.431 ! ############### C13_CNnoesy_manual.1325 folded + assi (attr store1 < 8.242 and attr store1 > 8.142 ) ((attr store1 < 1.629 and attr store1 > 1.569 ) and (bondedto (attr store1 < 114.433722631 and attr store1 > 113.633722631 ) or bondedto (attr store1 < 66.691 and attr store1 > 65.891 ) or bondedto (attr store1 < 18.9482773688 and attr store1 > 18.1482773688 ))) 6 0.1 0.1 peak 1325 volume 123.98446 ppm1 1.599 ppm2 8.192 ! ############### C13_CNnoesy_manual.1326 folded + assi (attr store1 < 7.093 and attr store1 > 6.993 ) ((attr store1 < 1.621 and attr store1 > 1.561 ) and (bondedto (attr store1 < 114.427722631 and attr store1 > 113.627722631 ) or bondedto (attr store1 < 66.685 and attr store1 > 65.885 ) or bondedto (attr store1 < 18.9422773688 and attr store1 > 18.1422773688 ))) 6 0.1 0.1 peak 1326 volume 13.88067 ppm1 1.591 ppm2 7.043 ! ############### C13_CNnoesy_manual.1327 folded + assi (attr store1 < 4.205 and attr store1 > 4.105 ) ((attr store1 < 1.627 and attr store1 > 1.567 ) and (bondedto (attr store1 < 114.429722631 and attr store1 > 113.629722631 ) or bondedto (attr store1 < 66.687 and attr store1 > 65.887 ) or bondedto (attr store1 < 18.9442773688 and attr store1 > 18.1442773688 ))) 6 0.1 0.1 peak 1327 volume 196.65211 ppm1 1.597 ppm2 4.155 ! ############### C13_CNnoesy_manual.1328 folded + assi (attr store1 < 8.586 and attr store1 > 8.486 ) ((attr store1 < 1.599 and attr store1 > 1.539 ) and (bondedto (attr store1 < 114.404722631 and attr store1 > 113.604722631 ) or bondedto (attr store1 < 66.662 and attr store1 > 65.862 ) or bondedto (attr store1 < 18.9192773688 and attr store1 > 18.1192773688 ))) 6 0.1 0.1 peak 1328 volume 91.75537 ppm1 1.569 ppm2 8.536 ! ############### C13_CNnoesy_manual.1329 folded + assi (attr store1 < 7.851 and attr store1 > 7.751 ) ((attr store1 < 1.597 and attr store1 > 1.537 ) and (bondedto (attr store1 < 114.431722631 and attr store1 > 113.631722631 ) or bondedto (attr store1 < 66.689 and attr store1 > 65.889 ) or bondedto (attr store1 < 18.9462773688 and attr store1 > 18.1462773688 ))) 6 0.1 0.1 peak 1329 volume 49.32995 ppm1 1.567 ppm2 7.801 ! ############### C13_CNnoesy_manual.1330 folded + assi (attr store1 < 7.326 and attr store1 > 7.226 ) ((attr store1 < 1.602 and attr store1 > 1.542 ) and (bondedto (attr store1 < 114.437722631 and attr store1 > 113.637722631 ) or bondedto (attr store1 < 66.695 and attr store1 > 65.895 ) or bondedto (attr store1 < 18.9522773688 and attr store1 > 18.1522773688 ))) 6 0.1 0.1 peak 1330 volume 23.75319 ppm1 1.572 ppm2 7.276 ! ############### C13_CNnoesy_manual.1331 folded + assi (attr store1 < 3.87 and attr store1 > 3.77 ) ((attr store1 < 1.6 and attr store1 > 1.54 ) and (bondedto (attr store1 < 114.389722631 and attr store1 > 113.589722631 ) or bondedto (attr store1 < 66.647 and attr store1 > 65.847 ) or bondedto (attr store1 < 18.9042773688 and attr store1 > 18.1042773688 ))) 6 0.1 0.1 peak 1331 volume 106.70864 ppm1 1.570 ppm2 3.820 ! ############### C13_CNnoesy_manual.1332 folded + assi (attr store1 < 2.019 and attr store1 > 1.919 ) ((attr store1 < 1.597 and attr store1 > 1.537 ) and (bondedto (attr store1 < 114.436722631 and attr store1 > 113.636722631 ) or bondedto (attr store1 < 66.694 and attr store1 > 65.894 ) or bondedto (attr store1 < 18.9512773688 and attr store1 > 18.1512773688 ))) 6 0.1 0.1 peak 1332 volume 36.00995 ppm1 1.567 ppm2 1.969 ! ############### C13_CNnoesy_manual.1333 folded + assi (attr store1 < 0.953 and attr store1 > 0.853 ) ((attr store1 < 1.596 and attr store1 > 1.536 ) and (bondedto (attr store1 < 114.467722631 and attr store1 > 113.667722631 ) or bondedto (attr store1 < 66.725 and attr store1 > 65.925 ) or bondedto (attr store1 < 18.9822773688 and attr store1 > 18.1822773688 ))) 6 0.1 0.1 peak 1333 volume 89.68736 ppm1 1.566 ppm2 0.903 ! ############### C13_CNnoesy_manual.1334 folded + assi (attr store1 < 1.785 and attr store1 > 1.685 ) ((attr store1 < 1.591 and attr store1 > 1.531 ) and (bondedto (attr store1 < 114.457722631 and attr store1 > 113.657722631 ) or bondedto (attr store1 < 66.715 and attr store1 > 65.915 ) or bondedto (attr store1 < 18.9722773688 and attr store1 > 18.1722773688 ))) 6 0.1 0.1 peak 1334 volume 75.65025 ppm1 1.561 ppm2 1.735 ! ############### C13_CNnoesy_manual.1335 folded + assi (attr store1 < 8.695 and attr store1 > 8.595 ) ((attr store1 < 1.139 and attr store1 > 1.079 ) and (bondedto (attr store1 < 114.417722631 and attr store1 > 113.617722631 ) or bondedto (attr store1 < 66.675 and attr store1 > 65.875 ) or bondedto (attr store1 < 18.9322773688 and attr store1 > 18.1322773688 ))) 6 0.1 0.1 peak 1335 volume 8.82598 ppm1 1.109 ppm2 8.645 ! ############### C13_CNnoesy_manual.1336 folded + assi (attr store1 < 8.516 and attr store1 > 8.416 ) ((attr store1 < 1.136 and attr store1 > 1.076 ) and (bondedto (attr store1 < 114.425722631 and attr store1 > 113.625722631 ) or bondedto (attr store1 < 66.683 and attr store1 > 65.883 ) or bondedto (attr store1 < 18.9402773688 and attr store1 > 18.1402773688 ))) 6 0.1 0.1 peak 1336 volume 8.33214 ppm1 1.106 ppm2 8.466 ! ############### C13_CNnoesy_manual.1337 folded + assi (attr store1 < 8.064 and attr store1 > 7.964 ) ((attr store1 < 1.14 and attr store1 > 1.08 ) and (bondedto (attr store1 < 114.422722631 and attr store1 > 113.622722631 ) or bondedto (attr store1 < 66.68 and attr store1 > 65.88 ) or bondedto (attr store1 < 18.9372773688 and attr store1 > 18.1372773688 ))) 6 0.1 0.1 peak 1337 volume 45.31050 ppm1 1.110 ppm2 8.014 ! ############### C13_CNnoesy_manual.1338 folded + assi (attr store1 < 7.032 and attr store1 > 6.932 ) ((attr store1 < 1.14 and attr store1 > 1.08 ) and (bondedto (attr store1 < 114.423722631 and attr store1 > 113.623722631 ) or bondedto (attr store1 < 66.681 and attr store1 > 65.881 ) or bondedto (attr store1 < 18.9382773688 and attr store1 > 18.1382773688 ))) 6 0.1 0.1 peak 1338 volume 15.14567 ppm1 1.110 ppm2 6.982 ! ############### C13_CNnoesy_manual.1339 folded + assi (attr store1 < 4.098 and attr store1 > 3.998 ) ((attr store1 < 1.14 and attr store1 > 1.08 ) and (bondedto (attr store1 < 114.421722631 and attr store1 > 113.621722631 ) or bondedto (attr store1 < 66.679 and attr store1 > 65.879 ) or bondedto (attr store1 < 18.9362773688 and attr store1 > 18.1362773688 ))) 6 0.1 0.1 peak 1339 volume 90.96690 ppm1 1.110 ppm2 4.048 ! ############### C13_CNnoesy_manual.1340 folded + assi (attr store1 < 2.656 and attr store1 > 2.556 ) ((attr store1 < 1.14 and attr store1 > 1.08 ) and (bondedto (attr store1 < 114.417722631 and attr store1 > 113.617722631 ) or bondedto (attr store1 < 66.675 and attr store1 > 65.875 ) or bondedto (attr store1 < 18.9322773688 and attr store1 > 18.1322773688 ))) 6 0.1 0.1 peak 1340 volume 38.66027 ppm1 1.110 ppm2 2.606 ! ############### C13_CNnoesy_manual.1341 folded + assi (attr store1 < 2.278 and attr store1 > 2.178 ) ((attr store1 < 1.139 and attr store1 > 1.079 ) and (bondedto (attr store1 < 114.433722631 and attr store1 > 113.633722631 ) or bondedto (attr store1 < 66.691 and attr store1 > 65.891 ) or bondedto (attr store1 < 18.9482773688 and attr store1 > 18.1482773688 ))) 6 0.1 0.1 peak 1341 volume 130.42451 ppm1 1.109 ppm2 2.228 ! ############### C13_CNnoesy_manual.1342 folded + assi (attr store1 < 2.015 and attr store1 > 1.915 ) ((attr store1 < 1.139 and attr store1 > 1.079 ) and (bondedto (attr store1 < 114.412722631 and attr store1 > 113.612722631 ) or bondedto (attr store1 < 66.67 and attr store1 > 65.87 ) or bondedto (attr store1 < 18.9272773688 and attr store1 > 18.1272773688 ))) 6 0.1 0.1 peak 1342 volume 54.48531 ppm1 1.109 ppm2 1.965 ! ############### C13_CNnoesy_manual.1343 folded + assi (attr store1 < 1.537 and attr store1 > 1.437 ) ((attr store1 < 1.14 and attr store1 > 1.08 ) and (bondedto (attr store1 < 114.429722631 and attr store1 > 113.629722631 ) or bondedto (attr store1 < 66.687 and attr store1 > 65.887 ) or bondedto (attr store1 < 18.9442773688 and attr store1 > 18.1442773688 ))) 6 0.1 0.1 peak 1343 volume 74.93580 ppm1 1.110 ppm2 1.487 ! ############### C13_CNnoesy_manual.1344 folded + assi (attr store1 < 1.328 and attr store1 > 1.228 ) ((attr store1 < 1.137 and attr store1 > 1.077 ) and (bondedto (attr store1 < 114.408722631 and attr store1 > 113.608722631 ) or bondedto (attr store1 < 66.666 and attr store1 > 65.866 ) or bondedto (attr store1 < 18.9232773688 and attr store1 > 18.1232773688 ))) 6 0.1 0.1 peak 1344 volume 62.37633 ppm1 1.107 ppm2 1.278 ! ############### C13_CNnoesy_manual.1345 folded + assi (attr store1 < 1.159 and attr store1 > 1.059 ) ((attr store1 < 1.14 and attr store1 > 1.08 ) and (bondedto (attr store1 < 114.420722631 and attr store1 > 113.620722631 ) or bondedto (attr store1 < 66.678 and attr store1 > 65.878 ) or bondedto (attr store1 < 18.9352773688 and attr store1 > 18.1352773688 ))) 6 0.1 0.1 peak 1345 volume 4381.11230 ppm1 1.110 ppm2 1.109 ! ############### C13_CNnoesy_manual.1346 folded + assi (attr store1 < 0.8 and attr store1 > 0.7 ) ((attr store1 < 1.14 and attr store1 > 1.08 ) and (bondedto (attr store1 < 114.424722631 and attr store1 > 113.624722631 ) or bondedto (attr store1 < 66.682 and attr store1 > 65.882 ) or bondedto (attr store1 < 18.9392773688 and attr store1 > 18.1392773688 ))) 6 0.1 0.1 peak 1346 volume 121.21295 ppm1 1.110 ppm2 0.750 ! ############### C13_CNnoesy_manual.1347 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 1.129 and attr store1 > 1.069 ) and (bondedto (attr store1 < 114.417722631 and attr store1 > 113.617722631 ) or bondedto (attr store1 < 66.675 and attr store1 > 65.875 ) or bondedto (attr store1 < 18.9322773688 and attr store1 > 18.1322773688 ))) 6 0.1 0.1 peak 1347 volume 13.83659 ppm1 1.099 ppm2 4.838 ! ############### C13_CNnoesy_manual.1348 folded - assi (attr store1 < 7.06 and attr store1 > 6.96 ) ((attr store1 < 3.158 and attr store1 > 3.098 ) and (bondedto (attr store1 < 138.339083947 and attr store1 > 137.539083947 ) or bondedto (attr store1 < 42.8536386844 and attr store1 > 42.0536386844 ))) 6 0.1 0.1 peak 1348 volume 5.74455 ppm1 3.128 ppm2 7.010 ! ############### C13_CNnoesy_manual.1349 folded - assi (attr store1 < 4.153 and attr store1 > 4.053 ) ((attr store1 < 3.156 and attr store1 > 3.096 ) and (bondedto (attr store1 < 138.307083947 and attr store1 > 137.507083947 ) or bondedto (attr store1 < 42.8216386844 and attr store1 > 42.0216386844 ))) 6 0.1 0.1 peak 1349 volume 13.02049 ppm1 3.126 ppm2 4.103 ! ############### C13_CNnoesy_manual.1350 folded - assi (attr store1 < 2.03 and attr store1 > 1.93 ) ((attr store1 < 3.157 and attr store1 > 3.097 ) and (bondedto (attr store1 < 138.302083947 and attr store1 > 137.502083947 ) or bondedto (attr store1 < 42.8166386844 and attr store1 > 42.0166386844 ))) 6 0.1 0.1 peak 1350 volume 32.66838 ppm1 3.127 ppm2 1.980 ! ############### C13_CNnoesy_manual.1351 folded - assi (attr store1 < 1.856 and attr store1 > 1.756 ) ((attr store1 < 3.157 and attr store1 > 3.097 ) and (bondedto (attr store1 < 138.310083947 and attr store1 > 137.510083947 ) or bondedto (attr store1 < 42.8246386844 and attr store1 > 42.0246386844 ))) 6 0.1 0.1 peak 1351 volume 217.7509 ppm1 3.127 ppm2 1.806 ! ############### C13_CNnoesy_manual.1352 folded - assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 3.154 and attr store1 > 3.094 ) and (bondedto (attr store1 < 138.283083947 and attr store1 > 137.483083947 ) or bondedto (attr store1 < 42.7976386844 and attr store1 > 41.9976386844 ))) 6 0.1 0.1 peak 1352 volume 80.10229 ppm1 3.124 ppm2 4.837 ! ############### C13_CNnoesy_manual.1353 folded + assi (attr store1 < 1.614 and attr store1 > 1.514 ) ((attr store1 < 3.847 and attr store1 > 3.787 ) and (bondedto (attr store1 < 114.303722631 and attr store1 > 113.503722631 ) or bondedto (attr store1 < 66.561 and attr store1 > 65.761 ) or bondedto (attr store1 < 18.8182773688 and attr store1 > 18.0182773688 ))) 6 0.1 0.1 peak 1353 volume 9.87559 ppm1 3.817 ppm2 1.564 ! ############### C13_CNnoesy_manual.1354 folded + assi (attr store1 < 8.484 and attr store1 > 8.384 ) ((attr store1 < 3.562 and attr store1 > 3.502 ) and (bondedto (attr store1 < 114.328722631 and attr store1 > 113.528722631 ) or bondedto (attr store1 < 66.586 and attr store1 > 65.786 ) or bondedto (attr store1 < 18.8432773688 and attr store1 > 18.0432773688 ))) 6 0.1 0.1 peak 1354 volume 27.82474 ppm1 3.532 ppm2 8.434 ! ############### C13_CNnoesy_manual.1355 folded + assi (attr store1 < 8.221 and attr store1 > 8.121 ) ((attr store1 < 3.56 and attr store1 > 3.5 ) and (bondedto (attr store1 < 114.300722631 and attr store1 > 113.500722631 ) or bondedto (attr store1 < 66.558 and attr store1 > 65.758 ) or bondedto (attr store1 < 18.8152773688 and attr store1 > 18.0152773688 ))) 6 0.1 0.1 peak 1355 volume 13.03355 ppm1 3.530 ppm2 8.171 ! ############### C13_CNnoesy_manual.1356 folded + assi (attr store1 < 8.05 and attr store1 > 7.95 ) ((attr store1 < 3.563 and attr store1 > 3.503 ) and (bondedto (attr store1 < 114.297722631 and attr store1 > 113.497722631 ) or bondedto (attr store1 < 66.555 and attr store1 > 65.755 ) or bondedto (attr store1 < 18.8122773688 and attr store1 > 18.0122773688 ))) 6 0.1 0.1 peak 1356 volume 11.14463 ppm1 3.533 ppm2 8.000 ! ############### C13_CNnoesy_manual.1357 folded + assi (attr store1 < 3.581 and attr store1 > 3.481 ) ((attr store1 < 3.561 and attr store1 > 3.501 ) and (bondedto (attr store1 < 114.305722631 and attr store1 > 113.505722631 ) or bondedto (attr store1 < 66.563 and attr store1 > 65.763 ) or bondedto (attr store1 < 18.8202773688 and attr store1 > 18.0202773688 ))) 6 0.1 0.1 peak 1357 volume 438.75122 ppm1 3.531 ppm2 3.531 ! ############### C13_CNnoesy_manual.1358 folded + assi (attr store1 < 2.219 and attr store1 > 2.119 ) ((attr store1 < 3.561 and attr store1 > 3.501 ) and (bondedto (attr store1 < 114.309722631 and attr store1 > 113.509722631 ) or bondedto (attr store1 < 66.567 and attr store1 > 65.767 ) or bondedto (attr store1 < 18.8242773688 and attr store1 > 18.0242773688 ))) 6 0.1 0.1 peak 1358 volume 39.20041 ppm1 3.531 ppm2 2.169 ! ############### C13_CNnoesy_manual.1359 folded + assi (attr store1 < 1.955 and attr store1 > 1.855 ) ((attr store1 < 3.561 and attr store1 > 3.501 ) and (bondedto (attr store1 < 114.301722631 and attr store1 > 113.501722631 ) or bondedto (attr store1 < 66.559 and attr store1 > 65.759 ) or bondedto (attr store1 < 18.8162773688 and attr store1 > 18.0162773688 ))) 6 0.1 0.1 peak 1359 volume 50.06430 ppm1 3.531 ppm2 1.905 ! ############### C13_CNnoesy_manual.1360 folded + assi (attr store1 < 0.934 and attr store1 > 0.834 ) ((attr store1 < 3.561 and attr store1 > 3.501 ) and (bondedto (attr store1 < 114.309722631 and attr store1 > 113.509722631 ) or bondedto (attr store1 < 66.567 and attr store1 > 65.767 ) or bondedto (attr store1 < 18.8242773688 and attr store1 > 18.0242773688 ))) 6 0.1 0.1 peak 1360 volume 146.34003 ppm1 3.531 ppm2 0.884 ! ############### C13_CNnoesy_manual.1361 folded + assi (attr store1 < 3.263 and attr store1 > 3.163 ) ((attr store1 < 1.601 and attr store1 > 1.541 ) and (bondedto (attr store1 < 114.350722631 and attr store1 > 113.550722631 ) or bondedto (attr store1 < 66.608 and attr store1 > 65.808 ) or bondedto (attr store1 < 18.8652773688 and attr store1 > 18.0652773688 ))) 6 0.1 0.1 peak 1361 volume 31.76526 ppm1 1.571 ppm2 3.213 ! ############### C13_CNnoesy_manual.1362 folded - assi (attr store1 < 3.141 and attr store1 > 3.041 ) ((attr store1 < 3.12 and attr store1 > 3.06 ) and (bondedto (attr store1 < 138.200083947 and attr store1 > 137.400083947 ) or bondedto (attr store1 < 42.7146386844 and attr store1 > 41.9146386844 ))) 6 0.1 0.1 peak 1362 volume 17670.91992 ppm1 3.090 ppm2 3.091 ! ############### C13_CNnoesy_manual.1363 folded + assi (attr store1 < 8.521 and attr store1 > 8.421 ) ((attr store1 < 1.078 and attr store1 > 1.018 ) and (bondedto (attr store1 < 114.242722631 and attr store1 > 113.442722631 ) or bondedto (attr store1 < 66.5 and attr store1 > 65.7 ) or bondedto (attr store1 < 18.7572773688 and attr store1 > 17.9572773688 ))) 6 0.1 0.1 peak 1363 volume 23.49656 ppm1 1.048 ppm2 8.471 ! ############### C13_CNnoesy_manual.1364 folded + assi (attr store1 < 8.227 and attr store1 > 8.127 ) ((attr store1 < 1.077 and attr store1 > 1.017 ) and (bondedto (attr store1 < 114.248722631 and attr store1 > 113.448722631 ) or bondedto (attr store1 < 66.506 and attr store1 > 65.706 ) or bondedto (attr store1 < 18.7632773688 and attr store1 > 17.9632773688 ))) 6 0.1 0.1 peak 1364 volume 31.18802 ppm1 1.047 ppm2 8.177 ! ############### C13_CNnoesy_manual.1365 folded + assi (attr store1 < 7.065 and attr store1 > 6.965 ) ((attr store1 < 1.078 and attr store1 > 1.018 ) and (bondedto (attr store1 < 114.247722631 and attr store1 > 113.447722631 ) or bondedto (attr store1 < 66.505 and attr store1 > 65.705 ) or bondedto (attr store1 < 18.7622773688 and attr store1 > 17.9622773688 ))) 6 0.1 0.1 peak 1365 volume 11.66502 ppm1 1.048 ppm2 7.015 ! ############### C13_CNnoesy_manual.1366 folded + assi (attr store1 < 4.145 and attr store1 > 4.045 ) ((attr store1 < 1.078 and attr store1 > 1.018 ) and (bondedto (attr store1 < 114.258722631 and attr store1 > 113.458722631 ) or bondedto (attr store1 < 66.516 and attr store1 > 65.716 ) or bondedto (attr store1 < 18.7732773688 and attr store1 > 17.9732773688 ))) 6 0.1 0.1 peak 1366 volume 79.99877 ppm1 1.048 ppm2 4.095 ! ############### C13_CNnoesy_manual.1367 folded + assi (attr store1 < 3.868 and attr store1 > 3.768 ) ((attr store1 < 1.077 and attr store1 > 1.017 ) and (bondedto (attr store1 < 114.249722631 and attr store1 > 113.449722631 ) or bondedto (attr store1 < 66.507 and attr store1 > 65.707 ) or bondedto (attr store1 < 18.7642773688 and attr store1 > 17.9642773688 ))) 6 0.1 0.1 peak 1367 volume 75.66050 ppm1 1.047 ppm2 3.818 ! ############### C13_CNnoesy_manual.1368 folded + assi (attr store1 < 2.225 and attr store1 > 2.125 ) ((attr store1 < 1.077 and attr store1 > 1.017 ) and (bondedto (attr store1 < 114.249722631 and attr store1 > 113.449722631 ) or bondedto (attr store1 < 66.507 and attr store1 > 65.707 ) or bondedto (attr store1 < 18.7642773688 and attr store1 > 17.9642773688 ))) 6 0.1 0.1 peak 1368 volume 131.21504 ppm1 1.047 ppm2 2.175 ! ############### C13_CNnoesy_manual.1369 folded + assi (attr store1 < 1.254 and attr store1 > 1.154 ) ((attr store1 < 1.077 and attr store1 > 1.017 ) and (bondedto (attr store1 < 114.222722631 and attr store1 > 113.422722631 ) or bondedto (attr store1 < 66.48 and attr store1 > 65.68 ) or bondedto (attr store1 < 18.7372773688 and attr store1 > 17.9372773688 ))) 6 0.1 0.1 peak 1369 volume 134.64938 ppm1 1.047 ppm2 1.204 ! ############### C13_CNnoesy_manual.1370 folded + assi (attr store1 < 0.721 and attr store1 > 0.621 ) ((attr store1 < 1.074 and attr store1 > 1.014 ) and (bondedto (attr store1 < 114.226722631 and attr store1 > 113.426722631 ) or bondedto (attr store1 < 66.484 and attr store1 > 65.684 ) or bondedto (attr store1 < 18.7412773688 and attr store1 > 17.9412773688 ))) 6 0.1 0.1 peak 1370 volume 32.05294 ppm1 1.044 ppm2 0.671 ! ############### C13_CNnoesy_manual.1371 folded - assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 3.09 and attr store1 > 3.03 ) and (bondedto (attr store1 < 138.109083947 and attr store1 > 137.309083947 ) or bondedto (attr store1 < 42.6236386844 and attr store1 > 41.8236386844 ))) 6 0.1 0.1 peak 1371 volume 140.34052 ppm1 3.060 ppm2 4.838 ! ############### C13_CNnoesy_manual.1372 folded - assi (attr store1 < 2.058 and attr store1 > 1.958 ) ((attr store1 < 3.091 and attr store1 > 3.031 ) and (bondedto (attr store1 < 138.076083947 and attr store1 > 137.276083947 ) or bondedto (attr store1 < 42.5906386844 and attr store1 > 41.7906386844 ))) 6 0.1 0.1 peak 1372 volume 47.36066 ppm1 3.061 ppm2 2.008 ! ############### C13_CNnoesy_manual.1373 folded - assi (attr store1 < 1.842 and attr store1 > 1.742 ) ((attr store1 < 3.091 and attr store1 > 3.031 ) and (bondedto (attr store1 < 138.105083947 and attr store1 > 137.305083947 ) or bondedto (attr store1 < 42.6196386844 and attr store1 > 41.8196386844 ))) 6 0.1 0.1 peak 1373 volume 246.92999 ppm1 3.061 ppm2 1.792 ! ############### C13_CNnoesy_manual.1374 folded - assi (attr store1 < 1.051 and attr store1 > 0.951 ) ((attr store1 < 3.093 and attr store1 > 3.033 ) and (bondedto (attr store1 < 138.067083947 and attr store1 > 137.267083947 ) or bondedto (attr store1 < 42.5816386844 and attr store1 > 41.7816386844 ))) 6 0.1 0.1 peak 1374 volume 60.78323 ppm1 3.063 ppm2 1.001 ! ############### C13_CNnoesy_manual.1375 folded - assi (attr store1 < 1.631 and attr store1 > 1.531 ) ((attr store1 < 3.089 and attr store1 > 3.029 ) and (bondedto (attr store1 < 138.110083947 and attr store1 > 137.310083947 ) or bondedto (attr store1 < 42.6246386844 and attr store1 > 41.8246386844 ))) 6 0.1 0.1 peak 1375 volume 70.59238 ppm1 3.059 ppm2 1.581 ! ############### C13_CNnoesy_manual.1376 folded - assi (attr store1 < 2.069 and attr store1 > 1.969 ) ((attr store1 < 2.908 and attr store1 > 2.848 ) and (bondedto (attr store1 < 138.098083947 and attr store1 > 137.298083947 ) or bondedto (attr store1 < 42.6126386844 and attr store1 > 41.8126386844 ))) 6 0.1 0.1 peak 1376 volume 11.42602 ppm1 2.878 ppm2 2.019 ! ############### C13_CNnoesy_manual.1377 folded - assi (attr store1 < 1.83 and attr store1 > 1.73 ) ((attr store1 < 2.915 and attr store1 > 2.855 ) and (bondedto (attr store1 < 138.116083947 and attr store1 > 137.316083947 ) or bondedto (attr store1 < 42.6306386844 and attr store1 > 41.8306386844 ))) 6 0.1 0.1 peak 1377 volume 62.39889 ppm1 2.885 ppm2 1.780 ! ############### C13_CNnoesy_manual.1378 folded - assi (attr store1 < 1.083 and attr store1 > 0.983 ) ((attr store1 < 2.916 and attr store1 > 2.856 ) and (bondedto (attr store1 < 138.112083947 and attr store1 > 137.312083947 ) or bondedto (attr store1 < 42.6266386844 and attr store1 > 41.8266386844 ))) 6 0.1 0.1 peak 1378 volume 52.40939 ppm1 2.886 ppm2 1.033 ! ############### C13_CNnoesy_manual.1379 folded + assi (attr store1 < 1.095 and attr store1 > 0.995 ) ((attr store1 < 1.074 and attr store1 > 1.014 ) and (bondedto (attr store1 < 114.143722631 and attr store1 > 113.343722631 ) or bondedto (attr store1 < 66.401 and attr store1 > 65.601 ) or bondedto (attr store1 < 18.6582773688 and attr store1 > 17.8582773688 ))) 6 0.1 0.1 peak 1379 volume 3682.12524 ppm1 1.044 ppm2 1.045 ! ############### C13_CNnoesy_manual.1380 folded - assi (attr store1 < 7.317 and attr store1 > 7.217 ) ((attr store1 < 7.293 and attr store1 > 7.233 ) and (bondedto (attr store1 < 138.027083947 and attr store1 > 137.227083947 ) or bondedto (attr store1 < 42.5416386844 and attr store1 > 41.7416386844 ))) 6 0.1 0.1 peak 1380 volume 23.95336 ppm1 7.263 ppm2 7.267 ! ############### C13_CNnoesy_manual.1381 folded - assi (attr store1 < 6.79 and attr store1 > 6.69 ) ((attr store1 < 7.288 and attr store1 > 7.228 ) and (bondedto (attr store1 < 138.019083947 and attr store1 > 137.219083947 ) or bondedto (attr store1 < 42.5336386844 and attr store1 > 41.7336386844 ))) 6 0.1 0.1 peak 1381 volume 6.03041 ppm1 7.258 ppm2 6.740 ! ############### C13_CNnoesy_manual.1382 folded - assi (attr store1 < 7.761 and attr store1 > 7.661 ) ((attr store1 < 3.097 and attr store1 > 3.037 ) and (bondedto (attr store1 < 138.001083947 and attr store1 > 137.201083947 ) or bondedto (attr store1 < 42.5156386844 and attr store1 > 41.7156386844 ))) 6 0.1 0.1 peak 1382 volume 5.85186 ppm1 3.067 ppm2 7.711 ! ############### C13_CNnoesy_manual.1383 folded - assi (attr store1 < 1.072 and attr store1 > 0.972 ) ((attr store1 < 3.037 and attr store1 > 2.977 ) and (bondedto (attr store1 < 138.059083947 and attr store1 > 137.259083947 ) or bondedto (attr store1 < 42.5736386844 and attr store1 > 41.7736386844 ))) 6 0.1 0.1 peak 1383 volume 45.55613 ppm1 3.007 ppm2 1.022 ! ############### C13_CNnoesy_manual.1384 folded - assi (attr store1 < 2.959 and attr store1 > 2.859 ) ((attr store1 < 2.939 and attr store1 > 2.879 ) and (bondedto (attr store1 < 138.017083947 and attr store1 > 137.217083947 ) or bondedto (attr store1 < 42.5316386844 and attr store1 > 41.7316386844 ))) 6 0.1 0.1 peak 1384 volume 5444.37109 ppm1 2.909 ppm2 2.909 ! ############### C13_CNnoesy_manual.1385 folded - assi (attr store1 < 1.685 and attr store1 > 1.585 ) ((attr store1 < 2.939 and attr store1 > 2.879 ) and (bondedto (attr store1 < 138.022083947 and attr store1 > 137.222083947 ) or bondedto (attr store1 < 42.5366386844 and attr store1 > 41.7366386844 ))) 6 0.1 0.1 peak 1385 volume 101.39083 ppm1 2.909 ppm2 1.635 ! ############### C13_CNnoesy_manual.1386 folded - assi (attr store1 < 1.331 and attr store1 > 1.231 ) ((attr store1 < 2.939 and attr store1 > 2.879 ) and (bondedto (attr store1 < 138.025083947 and attr store1 > 137.225083947 ) or bondedto (attr store1 < 42.5396386844 and attr store1 > 41.7396386844 ))) 6 0.1 0.1 peak 1386 volume 51.2714 ppm1 2.909 ppm2 1.281 ! ############### C13_CNnoesy_manual.1387 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 2.933 and attr store1 > 2.873 ) and (bondedto (attr store1 < 138.051083947 and attr store1 > 137.251083947 ) or bondedto (attr store1 < 42.5656386844 and attr store1 > 41.7656386844 ))) 6 0.1 0.1 peak 1387 volume 81.30595 ppm1 2.903 ppm2 4.839 ! ############### C13_CNnoesy_manual.1388 folded + assi (attr store1 < 1.088 and attr store1 > 0.988 ) ((attr store1 < 2.706 and attr store1 > 2.646 ) and (bondedto (attr store1 < 114.057722631 and attr store1 > 113.257722631 ) or bondedto (attr store1 < 66.315 and attr store1 > 65.515 ) or bondedto (attr store1 < 18.5722773688 and attr store1 > 17.7722773688 ))) 6 0.1 0.1 peak 1388 volume 8.20288 ppm1 2.676 ppm2 1.038 ! ############### C13_CNnoesy_manual.1389 folded + assi (attr store1 < 8.736 and attr store1 > 8.636 ) ((attr store1 < 1.701 and attr store1 > 1.641 ) and (bondedto (attr store1 < 114.008722631 and attr store1 > 113.208722631 ) or bondedto (attr store1 < 66.266 and attr store1 > 65.466 ) or bondedto (attr store1 < 18.5232773688 and attr store1 > 17.7232773688 ))) 6 0.1 0.1 peak 1389 volume 7.48438 ppm1 1.671 ppm2 8.686 ! ############### C13_CNnoesy_manual.1390 folded + assi (attr store1 < 8.404 and attr store1 > 8.304 ) ((attr store1 < 1.701 and attr store1 > 1.641 ) and (bondedto (attr store1 < 114.019722631 and attr store1 > 113.219722631 ) or bondedto (attr store1 < 66.277 and attr store1 > 65.477 ) or bondedto (attr store1 < 18.5342773688 and attr store1 > 17.7342773688 ))) 6 0.1 0.1 peak 1390 volume 104.84155 ppm1 1.671 ppm2 8.354 ! ############### C13_CNnoesy_manual.1391 folded + assi (attr store1 < 8.071 and attr store1 > 7.971 ) ((attr store1 < 1.702 and attr store1 > 1.642 ) and (bondedto (attr store1 < 114.030722631 and attr store1 > 113.230722631 ) or bondedto (attr store1 < 66.288 and attr store1 > 65.488 ) or bondedto (attr store1 < 18.5452773688 and attr store1 > 17.7452773688 ))) 6 0.1 0.1 peak 1391 volume 6.35542 ppm1 1.672 ppm2 8.021 ! ############### C13_CNnoesy_manual.1392 folded + assi (attr store1 < 7.791 and attr store1 > 7.691 ) ((attr store1 < 1.7 and attr store1 > 1.64 ) and (bondedto (attr store1 < 114.017722631 and attr store1 > 113.217722631 ) or bondedto (attr store1 < 66.275 and attr store1 > 65.475 ) or bondedto (attr store1 < 18.5322773688 and attr store1 > 17.7322773688 ))) 6 0.1 0.1 peak 1392 volume 9.82563 ppm1 1.670 ppm2 7.741 ! ############### C13_CNnoesy_manual.1393 folded + assi (attr store1 < 4.271 and attr store1 > 4.171 ) ((attr store1 < 1.7 and attr store1 > 1.64 ) and (bondedto (attr store1 < 114.014722631 and attr store1 > 113.214722631 ) or bondedto (attr store1 < 66.272 and attr store1 > 65.472 ) or bondedto (attr store1 < 18.5292773688 and attr store1 > 17.7292773688 ))) 6 0.1 0.1 peak 1393 volume 184.29329 ppm1 1.670 ppm2 4.221 ! ############### C13_CNnoesy_manual.1394 folded + assi (attr store1 < 1.719 and attr store1 > 1.619 ) ((attr store1 < 1.701 and attr store1 > 1.641 ) and (bondedto (attr store1 < 114.013722631 and attr store1 > 113.213722631 ) or bondedto (attr store1 < 66.271 and attr store1 > 65.471 ) or bondedto (attr store1 < 18.5282773688 and attr store1 > 17.7282773688 ))) 6 0.1 0.1 peak 1394 volume 3421.06787 ppm1 1.671 ppm2 1.669 ! ############### C13_CNnoesy_manual.1395 folded + assi (attr store1 < 1.563 and attr store1 > 1.463 ) ((attr store1 < 1.698 and attr store1 > 1.638 ) and (bondedto (attr store1 < 114.012722631 and attr store1 > 113.212722631 ) or bondedto (attr store1 < 66.27 and attr store1 > 65.47 ) or bondedto (attr store1 < 18.5272773688 and attr store1 > 17.7272773688 ))) 6 0.1 0.1 peak 1395 volume 88.01343 ppm1 1.668 ppm2 1.513 ! ############### C13_CNnoesy_manual.1396 folded + assi (attr store1 < 1.031 and attr store1 > 0.931 ) ((attr store1 < 1.699 and attr store1 > 1.639 ) and (bondedto (attr store1 < 114.014722631 and attr store1 > 113.214722631 ) or bondedto (attr store1 < 66.272 and attr store1 > 65.472 ) or bondedto (attr store1 < 18.5292773688 and attr store1 > 17.7292773688 ))) 6 0.1 0.1 peak 1396 volume 38.38030 ppm1 1.669 ppm2 0.981 ! ############### C13_CNnoesy_manual.1397 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 1.693 and attr store1 > 1.633 ) and (bondedto (attr store1 < 114.024722631 and attr store1 > 113.224722631 ) or bondedto (attr store1 < 66.282 and attr store1 > 65.482 ) or bondedto (attr store1 < 18.5392773688 and attr store1 > 17.7392773688 ))) 6 0.1 0.1 peak 1397 volume 12.76286 ppm1 1.663 ppm2 4.838 ! ############### C13_CNnoesy_manual.1398 folded - assi (attr store1 < 8.711 and attr store1 > 8.611 ) ((attr store1 < 3.023 and attr store1 > 2.963 ) and (bondedto (attr store1 < 137.915083947 and attr store1 > 137.115083947 ) or bondedto (attr store1 < 42.4296386844 and attr store1 > 41.6296386844 ))) 6 0.1 0.1 peak 1398 volume 11.45154 ppm1 2.993 ppm2 8.661 ! ############### C13_CNnoesy_manual.1399 folded - assi (attr store1 < 7.838 and attr store1 > 7.738 ) ((attr store1 < 3.022 and attr store1 > 2.962 ) and (bondedto (attr store1 < 137.910083947 and attr store1 > 137.110083947 ) or bondedto (attr store1 < 42.4246386844 and attr store1 > 41.6246386844 ))) 6 0.1 0.1 peak 1399 volume 12.62986 ppm1 2.992 ppm2 7.788 ! ############### C13_CNnoesy_manual.1400 folded - assi (attr store1 < 5.519 and attr store1 > 5.419 ) ((attr store1 < 3.018 and attr store1 > 2.958 ) and (bondedto (attr store1 < 137.894083947 and attr store1 > 137.094083947 ) or bondedto (attr store1 < 42.4086386844 and attr store1 > 41.6086386844 ))) 6 0.1 0.1 peak 1400 volume 19.19487 ppm1 2.988 ppm2 5.469 ! ############### C13_CNnoesy_manual.1401 folded - assi (attr store1 < 2.472 and attr store1 > 2.372 ) ((attr store1 < 3.021 and attr store1 > 2.961 ) and (bondedto (attr store1 < 137.904083947 and attr store1 > 137.104083947 ) or bondedto (attr store1 < 42.4186386844 and attr store1 > 41.6186386844 ))) 6 0.1 0.1 peak 1401 volume 91.00517 ppm1 2.991 ppm2 2.422 ! ############### C13_CNnoesy_manual.1402 folded - assi (attr store1 < 1.318 and attr store1 > 1.218 ) ((attr store1 < 3.02 and attr store1 > 2.96 ) and (bondedto (attr store1 < 137.923083947 and attr store1 > 137.123083947 ) or bondedto (attr store1 < 42.4376386844 and attr store1 > 41.6376386844 ))) 6 0.1 0.1 peak 1402 volume 14.99408 ppm1 2.990 ppm2 1.268 ! ############### C13_CNnoesy_manual.1403 folded - assi (attr store1 < 2.483 and attr store1 > 2.383 ) ((attr store1 < 2.946 and attr store1 > 2.886 ) and (bondedto (attr store1 < 137.936083947 and attr store1 > 137.136083947 ) or bondedto (attr store1 < 42.4506386844 and attr store1 > 41.6506386844 ))) 6 0.1 0.1 peak 1403 volume 9.25677 ppm1 2.916 ppm2 2.433 ! ############### C13_CNnoesy_manual.1404 folded - assi (attr store1 < 7.843 and attr store1 > 7.743 ) ((attr store1 < 2.454 and attr store1 > 2.394 ) and (bondedto (attr store1 < 137.916083947 and attr store1 > 137.116083947 ) or bondedto (attr store1 < 42.4306386844 and attr store1 > 41.6306386844 ))) 6 0.1 0.1 peak 1404 volume 13.43251 ppm1 2.424 ppm2 7.793 ! ############### C13_CNnoesy_manual.1405 folded - assi (attr store1 < 7.493 and attr store1 > 7.393 ) ((attr store1 < 2.452 and attr store1 > 2.392 ) and (bondedto (attr store1 < 137.940083947 and attr store1 > 137.140083947 ) or bondedto (attr store1 < 42.4546386844 and attr store1 > 41.6546386844 ))) 6 0.1 0.1 peak 1405 volume 6.90142 ppm1 2.422 ppm2 7.443 ! ############### C13_CNnoesy_manual.1406 folded - assi (attr store1 < 5.518 and attr store1 > 5.418 ) ((attr store1 < 2.453 and attr store1 > 2.393 ) and (bondedto (attr store1 < 137.916083947 and attr store1 > 137.116083947 ) or bondedto (attr store1 < 42.4306386844 and attr store1 > 41.6306386844 ))) 6 0.1 0.1 peak 1406 volume 11.08043 ppm1 2.423 ppm2 5.468 ! ############### C13_CNnoesy_manual.1407 folded - assi (attr store1 < 3.042 and attr store1 > 2.942 ) ((attr store1 < 2.452 and attr store1 > 2.392 ) and (bondedto (attr store1 < 137.910083947 and attr store1 > 137.110083947 ) or bondedto (attr store1 < 42.4246386844 and attr store1 > 41.6246386844 ))) 6 0.1 0.1 peak 1407 volume 80.00146 ppm1 2.422 ppm2 2.992 ! ############### C13_CNnoesy_manual.1408 folded - assi (attr store1 < 2.476 and attr store1 > 2.376 ) ((attr store1 < 2.456 and attr store1 > 2.396 ) and (bondedto (attr store1 < 137.911083947 and attr store1 > 137.111083947 ) or bondedto (attr store1 < 42.4256386844 and attr store1 > 41.6256386844 ))) 6 0.1 0.1 peak 1408 volume 79.06201 ppm1 2.426 ppm2 2.426 ! ############### C13_CNnoesy_manual.1409 folded - assi (attr store1 < 1.789 and attr store1 > 1.689 ) ((attr store1 < 2.455 and attr store1 > 2.395 ) and (bondedto (attr store1 < 137.911083947 and attr store1 > 137.111083947 ) or bondedto (attr store1 < 42.4256386844 and attr store1 > 41.6256386844 ))) 6 0.1 0.1 peak 1409 volume 9.14871 ppm1 2.425 ppm2 1.739 ! ############### C13_CNnoesy_manual.1410 folded - assi (attr store1 < 1.438 and attr store1 > 1.338 ) ((attr store1 < 2.454 and attr store1 > 2.394 ) and (bondedto (attr store1 < 137.885083947 and attr store1 > 137.085083947 ) or bondedto (attr store1 < 42.3996386844 and attr store1 > 41.5996386844 ))) 6 0.1 0.1 peak 1410 volume 10.10428 ppm1 2.424 ppm2 1.388 ! ############### C13_CNnoesy_manual.1411 folded - assi (attr store1 < 1.323 and attr store1 > 1.223 ) ((attr store1 < 2.453 and attr store1 > 2.393 ) and (bondedto (attr store1 < 137.893083947 and attr store1 > 137.093083947 ) or bondedto (attr store1 < 42.4076386844 and attr store1 > 41.6076386844 ))) 6 0.1 0.1 peak 1411 volume 11.50028 ppm1 2.423 ppm2 1.273 ! ############### C13_CNnoesy_manual.1412 folded - assi (attr store1 < 8.716 and attr store1 > 8.616 ) ((attr store1 < 2.451 and attr store1 > 2.391 ) and (bondedto (attr store1 < 137.901083947 and attr store1 > 137.101083947 ) or bondedto (attr store1 < 42.4156386844 and attr store1 > 41.6156386844 ))) 6 0.1 0.1 peak 1412 volume 9.44274 ppm1 2.421 ppm2 8.666 ! ############### C13_CNnoesy_manual.1413 folded - assi (attr store1 < 3.017 and attr store1 > 2.917 ) ((attr store1 < 2.346 and attr store1 > 2.286 ) and (bondedto (attr store1 < 137.941083947 and attr store1 > 137.141083947 ) or bondedto (attr store1 < 42.4556386844 and attr store1 > 41.6556386844 ))) 6 0.1 0.1 peak 1413 volume 8.3849 ppm1 2.316 ppm2 2.967 ! ############### C13_CNnoesy_manual.1414 folded - assi (attr store1 < 8.233 and attr store1 > 8.133 ) ((attr store1 < 1.898 and attr store1 > 1.838 ) and (bondedto (attr store1 < 137.902083947 and attr store1 > 137.102083947 ) or bondedto (attr store1 < 42.4166386844 and attr store1 > 41.6166386844 ))) 6 0.1 0.1 peak 1414 volume 33.64393 ppm1 1.868 ppm2 8.183 ! ############### C13_CNnoesy_manual.1415 folded - assi (attr store1 < 4.619 and attr store1 > 4.519 ) ((attr store1 < 1.896 and attr store1 > 1.836 ) and (bondedto (attr store1 < 137.897083947 and attr store1 > 137.097083947 ) or bondedto (attr store1 < 42.4116386844 and attr store1 > 41.6116386844 ))) 6 0.1 0.1 peak 1415 volume 12.03262 ppm1 1.866 ppm2 4.569 ! ############### C13_CNnoesy_manual.1416 folded - assi (attr store1 < 4.346 and attr store1 > 4.246 ) ((attr store1 < 1.899 and attr store1 > 1.839 ) and (bondedto (attr store1 < 137.891083947 and attr store1 > 137.091083947 ) or bondedto (attr store1 < 42.4056386844 and attr store1 > 41.6056386844 ))) 6 0.1 0.1 peak 1416 volume 32.79137 ppm1 1.869 ppm2 4.296 ! ############### C13_CNnoesy_manual.1417 folded - assi (attr store1 < 1.863 and attr store1 > 1.763 ) ((attr store1 < 1.898 and attr store1 > 1.838 ) and (bondedto (attr store1 < 137.909083947 and attr store1 > 137.109083947 ) or bondedto (attr store1 < 42.4236386844 and attr store1 > 41.6236386844 ))) 6 0.1 0.1 peak 1417 volume 388.10114 ppm1 1.868 ppm2 1.813 ! ############### C13_CNnoesy_manual.1418 folded - assi (attr store1 < 1.049 and attr store1 > 0.949 ) ((attr store1 < 1.894 and attr store1 > 1.834 ) and (bondedto (attr store1 < 137.957083947 and attr store1 > 137.157083947 ) or bondedto (attr store1 < 42.4716386844 and attr store1 > 41.6716386844 ))) 6 0.1 0.1 peak 1418 volume 55.26607 ppm1 1.864 ppm2 0.999 ! ############### C13_CNnoesy_manual.1419 folded - assi (attr store1 < 8.231 and attr store1 > 8.131 ) ((attr store1 < 1.803 and attr store1 > 1.743 ) and (bondedto (attr store1 < 137.901083947 and attr store1 > 137.101083947 ) or bondedto (attr store1 < 42.4156386844 and attr store1 > 41.6156386844 ))) 6 0.1 0.1 peak 1419 volume 31.29658 ppm1 1.773 ppm2 8.181 ! ############### C13_CNnoesy_manual.1420 folded - assi (attr store1 < 4.612 and attr store1 > 4.512 ) ((attr store1 < 1.805 and attr store1 > 1.745 ) and (bondedto (attr store1 < 137.927083947 and attr store1 > 137.127083947 ) or bondedto (attr store1 < 42.4416386844 and attr store1 > 41.6416386844 ))) 6 0.1 0.1 peak 1420 volume 11.70481 ppm1 1.775 ppm2 4.562 ! ############### C13_CNnoesy_manual.1421 folded - assi (attr store1 < 4.346 and attr store1 > 4.246 ) ((attr store1 < 1.806 and attr store1 > 1.746 ) and (bondedto (attr store1 < 137.885083947 and attr store1 > 137.085083947 ) or bondedto (attr store1 < 42.3996386844 and attr store1 > 41.5996386844 ))) 6 0.1 0.1 peak 1421 volume 31.68202 ppm1 1.776 ppm2 4.296 ! ############### C13_CNnoesy_manual.1422 folded + assi (attr store1 < 2.091 and attr store1 > 1.991 ) ((attr store1 < 1.698 and attr store1 > 1.638 ) and (bondedto (attr store1 < 114.002722631 and attr store1 > 113.202722631 ) or bondedto (attr store1 < 66.26 and attr store1 > 65.46 ) or bondedto (attr store1 < 18.5172773688 and attr store1 > 17.7172773688 ))) 6 0.1 0.1 peak 1422 volume 32.78072 ppm1 1.668 ppm2 2.041 ! ############### C13_CNnoesy_manual.1423 folded + assi (attr store1 < 2.008 and attr store1 > 1.908 ) ((attr store1 < 1.697 and attr store1 > 1.637 ) and (bondedto (attr store1 < 113.987722631 and attr store1 > 113.187722631 ) or bondedto (attr store1 < 66.245 and attr store1 > 65.445 ) or bondedto (attr store1 < 18.5022773688 and attr store1 > 17.7022773688 ))) 6 0.1 0.1 peak 1423 volume 24.27078 ppm1 1.667 ppm2 1.958 ! ############### C13_CNnoesy_manual.1424 folded + assi (attr store1 < 1.888 and attr store1 > 1.788 ) ((attr store1 < 1.698 and attr store1 > 1.638 ) and (bondedto (attr store1 < 113.990722631 and attr store1 > 113.190722631 ) or bondedto (attr store1 < 66.248 and attr store1 > 65.448 ) or bondedto (attr store1 < 18.5052773688 and attr store1 > 17.7052773688 ))) 6 0.1 0.1 peak 1424 volume 59.66444 ppm1 1.668 ppm2 1.838 ! ############### C13_CNnoesy_manual.1425 folded + assi (attr store1 < 1.348 and attr store1 > 1.248 ) ((attr store1 < 1.698 and attr store1 > 1.638 ) and (bondedto (attr store1 < 114.004722631 and attr store1 > 113.204722631 ) or bondedto (attr store1 < 66.262 and attr store1 > 65.462 ) or bondedto (attr store1 < 18.5192773688 and attr store1 > 17.7192773688 ))) 6 0.1 0.1 peak 1425 volume 13.61442 ppm1 1.668 ppm2 1.298 ! ############### C13_CNnoesy_manual.1426 folded + assi (attr store1 < 6.779 and attr store1 > 6.679 ) ((attr store1 < 1.394 and attr store1 > 1.334 ) and (bondedto (attr store1 < 113.926722631 and attr store1 > 113.126722631 ) or bondedto (attr store1 < 66.184 and attr store1 > 65.384 ) or bondedto (attr store1 < 18.4412773688 and attr store1 > 17.6412773688 ))) 6 0.1 0.1 peak 1426 volume 5.88705 ppm1 1.364 ppm2 6.729 ! ############### C13_CNnoesy_manual.1427 folded + assi (attr store1 < 8.061 and attr store1 > 7.961 ) ((attr store1 < 1.066 and attr store1 > 1.006 ) and (bondedto (attr store1 < 113.932722631 and attr store1 > 113.132722631 ) or bondedto (attr store1 < 66.19 and attr store1 > 65.39 ) or bondedto (attr store1 < 18.4472773688 and attr store1 > 17.6472773688 ))) 6 0.1 0.1 peak 1427 volume 29.16612 ppm1 1.036 ppm2 8.011 ! ############### C13_CNnoesy_manual.1428 folded + assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 1.065 and attr store1 > 1.005 ) and (bondedto (attr store1 < 113.980722631 and attr store1 > 113.180722631 ) or bondedto (attr store1 < 66.238 and attr store1 > 65.438 ) or bondedto (attr store1 < 18.4952773688 and attr store1 > 17.6952773688 ))) 6 0.1 0.1 peak 1428 volume 30.45580 ppm1 1.035 ppm2 4.840 ! ############### C13_CNnoesy_manual.1429 folded + assi (attr store1 < 4.488 and attr store1 > 4.388 ) ((attr store1 < 1.067 and attr store1 > 1.007 ) and (bondedto (attr store1 < 113.917722631 and attr store1 > 113.117722631 ) or bondedto (attr store1 < 66.175 and attr store1 > 65.375 ) or bondedto (attr store1 < 18.4322773688 and attr store1 > 17.6322773688 ))) 6 0.1 0.1 peak 1429 volume 65.06769 ppm1 1.037 ppm2 4.438 ! ############### C13_CNnoesy_manual.1430 folded + assi (attr store1 < 2.635 and attr store1 > 2.535 ) ((attr store1 < 1.069 and attr store1 > 1.009 ) and (bondedto (attr store1 < 113.915722631 and attr store1 > 113.115722631 ) or bondedto (attr store1 < 66.173 and attr store1 > 65.373 ) or bondedto (attr store1 < 18.4302773688 and attr store1 > 17.6302773688 ))) 6 0.1 0.1 peak 1430 volume 19.31360 ppm1 1.039 ppm2 2.585 ! ############### C13_CNnoesy_manual.1431 folded + assi (attr store1 < 2.125 and attr store1 > 2.025 ) ((attr store1 < 1.067 and attr store1 > 1.007 ) and (bondedto (attr store1 < 113.940722631 and attr store1 > 113.140722631 ) or bondedto (attr store1 < 66.198 and attr store1 > 65.398 ) or bondedto (attr store1 < 18.4552773688 and attr store1 > 17.6552773688 ))) 6 0.1 0.1 peak 1431 volume 162.08258 ppm1 1.037 ppm2 2.075 ! ############### C13_CNnoesy_manual.1432 folded + assi (attr store1 < 1.839 and attr store1 > 1.739 ) ((attr store1 < 1.068 and attr store1 > 1.008 ) and (bondedto (attr store1 < 114.002722631 and attr store1 > 113.202722631 ) or bondedto (attr store1 < 66.26 and attr store1 > 65.46 ) or bondedto (attr store1 < 18.5172773688 and attr store1 > 17.7172773688 ))) 6 0.1 0.1 peak 1432 volume 84.92055 ppm1 1.038 ppm2 1.789 ! ############### C13_CNnoesy_manual.1433 folded + assi (attr store1 < 1.45 and attr store1 > 1.35 ) ((attr store1 < 1.067 and attr store1 > 1.007 ) and (bondedto (attr store1 < 113.915722631 and attr store1 > 113.115722631 ) or bondedto (attr store1 < 66.173 and attr store1 > 65.373 ) or bondedto (attr store1 < 18.4302773688 and attr store1 > 17.6302773688 ))) 6 0.1 0.1 peak 1433 volume 86.63398 ppm1 1.037 ppm2 1.400 ! ############### C13_CNnoesy_manual.1434 folded + assi (attr store1 < 1.43 and attr store1 > 1.33 ) ((attr store1 < 0.916 and attr store1 > 0.856 ) and (bondedto (attr store1 < 113.929722631 and attr store1 > 113.129722631 ) or bondedto (attr store1 < 66.187 and attr store1 > 65.387 ) or bondedto (attr store1 < 18.4442773688 and attr store1 > 17.6442773688 ))) 6 0.1 0.1 peak 1434 volume 7.94809 ppm1 0.886 ppm2 1.380 ! ############### C13_CNnoesy_manual.1435 folded + assi (attr store1 < 1.722 and attr store1 > 1.622 ) ((attr store1 < 0.849 and attr store1 > 0.789 ) and (bondedto (attr store1 < 113.956722631 and attr store1 > 113.156722631 ) or bondedto (attr store1 < 66.214 and attr store1 > 65.414 ) or bondedto (attr store1 < 18.4712773688 and attr store1 > 17.6712773688 ))) 6 0.1 0.1 peak 1435 volume 10.17115 ppm1 0.819 ppm2 1.672 ! ############### C13_CNnoesy_manual.1436 folded + assi (attr store1 < 8.71 and attr store1 > 8.61 ) ((attr store1 < 0.789 and attr store1 > 0.729 ) and (bondedto (attr store1 < 113.934722631 and attr store1 > 113.134722631 ) or bondedto (attr store1 < 66.192 and attr store1 > 65.392 ) or bondedto (attr store1 < 18.4492773688 and attr store1 > 17.6492773688 ))) 6 0.1 0.1 peak 1436 volume 33.91435 ppm1 0.759 ppm2 8.660 ! ############### C13_CNnoesy_manual.1437 folded + assi (attr store1 < 8.06 and attr store1 > 7.96 ) ((attr store1 < 0.79 and attr store1 > 0.73 ) and (bondedto (attr store1 < 113.918722631 and attr store1 > 113.118722631 ) or bondedto (attr store1 < 66.176 and attr store1 > 65.376 ) or bondedto (attr store1 < 18.4332773688 and attr store1 > 17.6332773688 ))) 6 0.1 0.1 peak 1437 volume 28.90047 ppm1 0.760 ppm2 8.010 ! ############### C13_CNnoesy_manual.1438 folded + assi (attr store1 < 4.612 and attr store1 > 4.512 ) ((attr store1 < 0.787 and attr store1 > 0.727 ) and (bondedto (attr store1 < 113.918722631 and attr store1 > 113.118722631 ) or bondedto (attr store1 < 66.176 and attr store1 > 65.376 ) or bondedto (attr store1 < 18.4332773688 and attr store1 > 17.6332773688 ))) 6 0.1 0.1 peak 1438 volume 7.00769 ppm1 0.757 ppm2 4.562 ! ############### C13_CNnoesy_manual.1439 folded + assi (attr store1 < 4.353 and attr store1 > 4.253 ) ((attr store1 < 0.788 and attr store1 > 0.728 ) and (bondedto (attr store1 < 113.953722631 and attr store1 > 113.153722631 ) or bondedto (attr store1 < 66.211 and attr store1 > 65.411 ) or bondedto (attr store1 < 18.4682773688 and attr store1 > 17.6682773688 ))) 6 0.1 0.1 peak 1439 volume 10.78234 ppm1 0.758 ppm2 4.303 ! ############### C13_CNnoesy_manual.1440 folded + assi (attr store1 < 4.163 and attr store1 > 4.063 ) ((attr store1 < 0.789 and attr store1 > 0.729 ) and (bondedto (attr store1 < 113.928722631 and attr store1 > 113.128722631 ) or bondedto (attr store1 < 66.186 and attr store1 > 65.386 ) or bondedto (attr store1 < 18.4432773688 and attr store1 > 17.6432773688 ))) 6 0.1 0.1 peak 1440 volume 82.93981 ppm1 0.759 ppm2 4.113 ! ############### C13_CNnoesy_manual.1441 folded + assi (attr store1 < 3.882 and attr store1 > 3.782 ) ((attr store1 < 0.788 and attr store1 > 0.728 ) and (bondedto (attr store1 < 113.922722631 and attr store1 > 113.122722631 ) or bondedto (attr store1 < 66.18 and attr store1 > 65.38 ) or bondedto (attr store1 < 18.4372773688 and attr store1 > 17.6372773688 ))) 6 0.1 0.1 peak 1441 volume 40.44288 ppm1 0.758 ppm2 3.832 ! ############### C13_CNnoesy_manual.1442 folded + assi (attr store1 < 2.349 and attr store1 > 2.249 ) ((attr store1 < 0.789 and attr store1 > 0.729 ) and (bondedto (attr store1 < 113.927722631 and attr store1 > 113.127722631 ) or bondedto (attr store1 < 66.185 and attr store1 > 65.385 ) or bondedto (attr store1 < 18.4422773688 and attr store1 > 17.6422773688 ))) 6 0.1 0.1 peak 1442 volume 107.70229 ppm1 0.759 ppm2 2.299 ! ############### C13_CNnoesy_manual.1443 folded + assi (attr store1 < 2.193 and attr store1 > 2.093 ) ((attr store1 < 0.789 and attr store1 > 0.729 ) and (bondedto (attr store1 < 113.918722631 and attr store1 > 113.118722631 ) or bondedto (attr store1 < 66.176 and attr store1 > 65.376 ) or bondedto (attr store1 < 18.4332773688 and attr store1 > 17.6332773688 ))) 6 0.1 0.1 peak 1443 volume 41.28991 ppm1 0.759 ppm2 2.143 ! ############### C13_CNnoesy_manual.1444 folded + assi (attr store1 < 1.975 and attr store1 > 1.875 ) ((attr store1 < 0.788 and attr store1 > 0.728 ) and (bondedto (attr store1 < 113.914722631 and attr store1 > 113.114722631 ) or bondedto (attr store1 < 66.172 and attr store1 > 65.372 ) or bondedto (attr store1 < 18.4292773688 and attr store1 > 17.6292773688 ))) 6 0.1 0.1 peak 1444 volume 50.16371 ppm1 0.758 ppm2 1.925 ! ############### C13_CNnoesy_manual.1445 folded + assi (attr store1 < 1.749 and attr store1 > 1.649 ) ((attr store1 < 0.787 and attr store1 > 0.727 ) and (bondedto (attr store1 < 113.924722631 and attr store1 > 113.124722631 ) or bondedto (attr store1 < 66.182 and attr store1 > 65.382 ) or bondedto (attr store1 < 18.4392773688 and attr store1 > 17.6392773688 ))) 6 0.1 0.1 peak 1445 volume 21.94893 ppm1 0.757 ppm2 1.699 ! ############### C13_CNnoesy_manual.1446 folded + assi (attr store1 < 1.591 and attr store1 > 1.491 ) ((attr store1 < 0.786 and attr store1 > 0.726 ) and (bondedto (attr store1 < 113.930722631 and attr store1 > 113.130722631 ) or bondedto (attr store1 < 66.188 and attr store1 > 65.388 ) or bondedto (attr store1 < 18.4452773688 and attr store1 > 17.6452773688 ))) 6 0.1 0.1 peak 1446 volume 42.12255 ppm1 0.756 ppm2 1.541 ! ############### C13_CNnoesy_manual.1447 folded + assi (attr store1 < 1.415 and attr store1 > 1.315 ) ((attr store1 < 0.789 and attr store1 > 0.729 ) and (bondedto (attr store1 < 113.926722631 and attr store1 > 113.126722631 ) or bondedto (attr store1 < 66.184 and attr store1 > 65.384 ) or bondedto (attr store1 < 18.4412773688 and attr store1 > 17.6412773688 ))) 6 0.1 0.1 peak 1447 volume 151.22270 ppm1 0.759 ppm2 1.365 ! ############### C13_CNnoesy_manual.1448 folded + assi (attr store1 < 0.808 and attr store1 > 0.708 ) ((attr store1 < 0.788 and attr store1 > 0.728 ) and (bondedto (attr store1 < 113.930722631 and attr store1 > 113.130722631 ) or bondedto (attr store1 < 66.188 and attr store1 > 65.388 ) or bondedto (attr store1 < 18.4452773688 and attr store1 > 17.6452773688 ))) 6 0.1 0.1 peak 1448 volume 2676.28833 ppm1 0.758 ppm2 0.758 ! ############### C13_CNnoesy_manual.1449 folded + assi (attr store1 < 0.644 and attr store1 > 0.544 ) ((attr store1 < 0.787 and attr store1 > 0.727 ) and (bondedto (attr store1 < 113.924722631 and attr store1 > 113.124722631 ) or bondedto (attr store1 < 66.182 and attr store1 > 65.382 ) or bondedto (attr store1 < 18.4392773688 and attr store1 > 17.6392773688 ))) 6 0.1 0.1 peak 1449 volume 54.60461 ppm1 0.757 ppm2 0.594 ! ############### C13_CNnoesy_manual.1450 folded + assi (attr store1 < 0.538 and attr store1 > 0.438 ) ((attr store1 < 0.783 and attr store1 > 0.723 ) and (bondedto (attr store1 < 113.926722631 and attr store1 > 113.126722631 ) or bondedto (attr store1 < 66.184 and attr store1 > 65.384 ) or bondedto (attr store1 < 18.4412773688 and attr store1 > 17.6412773688 ))) 6 0.1 0.1 peak 1450 volume 18.66610 ppm1 0.753 ppm2 0.488 ! ############### C13_CNnoesy_manual.1451 folded + assi (attr store1 < 0.128 and attr store1 > 0.028 ) ((attr store1 < 0.78 and attr store1 > 0.72 ) and (bondedto (attr store1 < 113.923722631 and attr store1 > 113.123722631 ) or bondedto (attr store1 < 66.181 and attr store1 > 65.381 ) or bondedto (attr store1 < 18.4382773688 and attr store1 > 17.6382773688 ))) 6 0.1 0.1 peak 1451 volume 15.84888 ppm1 0.750 ppm2 0.078 ! ############### C13_CNnoesy_manual.1452 folded - assi (attr store1 < 2.225 and attr store1 > 2.125 ) ((attr store1 < 3.12 and attr store1 > 3.06 ) and (bondedto (attr store1 < 137.825083947 and attr store1 > 137.025083947 ) or bondedto (attr store1 < 42.3396386844 and attr store1 > 41.5396386844 ))) 6 0.1 0.1 peak 1452 volume 19.48107 ppm1 3.090 ppm2 2.175 ! ############### C13_CNnoesy_manual.1453 folded - assi (attr store1 < 2.221 and attr store1 > 2.121 ) ((attr store1 < 3.048 and attr store1 > 2.988 ) and (bondedto (attr store1 < 137.847083947 and attr store1 > 137.047083947 ) or bondedto (attr store1 < 42.3616386844 and attr store1 > 41.5616386844 ))) 6 0.1 0.1 peak 1453 volume 21.00914 ppm1 3.018 ppm2 2.171 ! ############### C13_CNnoesy_manual.1454 folded - assi (attr store1 < 0.827 and attr store1 > 0.727 ) ((attr store1 < 2.459 and attr store1 > 2.399 ) and (bondedto (attr store1 < 137.852083947 and attr store1 > 137.052083947 ) or bondedto (attr store1 < 42.3666386844 and attr store1 > 41.5666386844 ))) 6 0.1 0.1 peak 1454 volume 15.35302 ppm1 2.429 ppm2 0.777 ! ############### C13_CNnoesy_manual.1455 folded - assi (attr store1 < 4.884 and attr store1 > 4.784 ) ((attr store1 < 1.906 and attr store1 > 1.846 ) and (bondedto (attr store1 < 137.798083947 and attr store1 > 136.998083947 ) or bondedto (attr store1 < 42.3126386844 and attr store1 > 41.5126386844 ))) 6 0.1 0.1 peak 1455 volume 7.67669 ppm1 1.876 ppm2 4.834 ! ############### C13_CNnoesy_manual.1456 folded - assi (attr store1 < 1.854 and attr store1 > 1.754 ) ((attr store1 < 1.806 and attr store1 > 1.746 ) and (bondedto (attr store1 < 137.831083947 and attr store1 > 137.031083947 ) or bondedto (attr store1 < 42.3456386844 and attr store1 > 41.5456386844 ))) 6 0.1 0.1 peak 1456 volume 447.15271 ppm1 1.776 ppm2 1.804 ! ############### C13_CNnoesy_manual.1457 folded - assi (attr store1 < 1.054 and attr store1 > 0.954 ) ((attr store1 < 1.806 and attr store1 > 1.746 ) and (bondedto (attr store1 < 137.792083947 and attr store1 > 136.992083947 ) or bondedto (attr store1 < 42.3066386844 and attr store1 > 41.5066386844 ))) 6 0.1 0.1 peak 1457 volume 77.32434 ppm1 1.776 ppm2 1.004 ! ############### C13_CNnoesy_manual.1458 folded + assi (attr store1 < 3.099 and attr store1 > 2.999 ) ((attr store1 < 1.975 and attr store1 > 1.915 ) and (bondedto (attr store1 < 113.898722631 and attr store1 > 113.098722631 ) or bondedto (attr store1 < 66.156 and attr store1 > 65.356 ) or bondedto (attr store1 < 18.4132773688 and attr store1 > 17.6132773688 ))) 6 0.1 0.1 peak 1458 volume 8.92564 ppm1 1.945 ppm2 3.049 ! ############### C13_CNnoesy_manual.1459 folded + assi (attr store1 < 7.738 and attr store1 > 7.638 ) ((attr store1 < 1.397 and attr store1 > 1.337 ) and (bondedto (attr store1 < 113.849722631 and attr store1 > 113.049722631 ) or bondedto (attr store1 < 66.107 and attr store1 > 65.307 ) or bondedto (attr store1 < 18.3642773688 and attr store1 > 17.5642773688 ))) 6 0.1 0.1 peak 1459 volume 111.19912 ppm1 1.367 ppm2 7.688 ! ############### C13_CNnoesy_manual.1460 folded + assi (attr store1 < 4.527 and attr store1 > 4.427 ) ((attr store1 < 1.398 and attr store1 > 1.338 ) and (bondedto (attr store1 < 113.871722631 and attr store1 > 113.071722631 ) or bondedto (attr store1 < 66.129 and attr store1 > 65.329 ) or bondedto (attr store1 < 18.3862773688 and attr store1 > 17.5862773688 ))) 6 0.1 0.1 peak 1460 volume 8.70247 ppm1 1.368 ppm2 4.477 ! ############### C13_CNnoesy_manual.1461 folded + assi (attr store1 < 4.231 and attr store1 > 4.131 ) ((attr store1 < 1.397 and attr store1 > 1.337 ) and (bondedto (attr store1 < 113.847722631 and attr store1 > 113.047722631 ) or bondedto (attr store1 < 66.105 and attr store1 > 65.305 ) or bondedto (attr store1 < 18.3622773688 and attr store1 > 17.5622773688 ))) 6 0.1 0.1 peak 1461 volume 169.29231 ppm1 1.367 ppm2 4.181 ! ############### C13_CNnoesy_manual.1462 folded + assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 1.395 and attr store1 > 1.335 ) and (bondedto (attr store1 < 113.838722631 and attr store1 > 113.038722631 ) or bondedto (attr store1 < 66.096 and attr store1 > 65.296 ) or bondedto (attr store1 < 18.3532773688 and attr store1 > 17.5532773688 ))) 6 0.1 0.1 peak 1462 volume 34.26006 ppm1 1.365 ppm2 4.838 ! ############### C13_CNnoesy_manual.1463 folded + assi (attr store1 < 1.69 and attr store1 > 1.59 ) ((attr store1 < 1.396 and attr store1 > 1.336 ) and (bondedto (attr store1 < 113.869722631 and attr store1 > 113.069722631 ) or bondedto (attr store1 < 66.127 and attr store1 > 65.327 ) or bondedto (attr store1 < 18.3842773688 and attr store1 > 17.5842773688 ))) 6 0.1 0.1 peak 1463 volume 38.94644 ppm1 1.366 ppm2 1.640 ! ############### C13_CNnoesy_manual.1464 folded + assi (attr store1 < 8.739 and attr store1 > 8.639 ) ((attr store1 < 1.066 and attr store1 > 1.006 ) and (bondedto (attr store1 < 113.909722631 and attr store1 > 113.109722631 ) or bondedto (attr store1 < 66.167 and attr store1 > 65.367 ) or bondedto (attr store1 < 18.4242773688 and attr store1 > 17.6242773688 ))) 6 0.1 0.1 peak 1464 volume 34.55825 ppm1 1.036 ppm2 8.689 ! ############### C13_CNnoesy_manual.1465 folded + assi (attr store1 < 3.526 and attr store1 > 3.426 ) ((attr store1 < 1.067 and attr store1 > 1.007 ) and (bondedto (attr store1 < 113.907722631 and attr store1 > 113.107722631 ) or bondedto (attr store1 < 66.165 and attr store1 > 65.365 ) or bondedto (attr store1 < 18.4222773688 and attr store1 > 17.6222773688 ))) 6 0.1 0.1 peak 1465 volume 66.71593 ppm1 1.037 ppm2 3.476 ! ############### C13_CNnoesy_manual.1466 folded + assi (attr store1 < 2.939 and attr store1 > 2.839 ) ((attr store1 < 1.066 and attr store1 > 1.006 ) and (bondedto (attr store1 < 113.902722631 and attr store1 > 113.102722631 ) or bondedto (attr store1 < 66.16 and attr store1 > 65.36 ) or bondedto (attr store1 < 18.4172773688 and attr store1 > 17.6172773688 ))) 6 0.1 0.1 peak 1466 volume 62.39362 ppm1 1.036 ppm2 2.889 ! ############### C13_CNnoesy_manual.1467 folded + assi (attr store1 < 2.46 and attr store1 > 2.36 ) ((attr store1 < 1.066 and attr store1 > 1.006 ) and (bondedto (attr store1 < 113.914722631 and attr store1 > 113.114722631 ) or bondedto (attr store1 < 66.172 and attr store1 > 65.372 ) or bondedto (attr store1 < 18.4292773688 and attr store1 > 17.6292773688 ))) 6 0.1 0.1 peak 1467 volume 24.07559 ppm1 1.036 ppm2 2.410 ! ############### C13_CNnoesy_manual.1468 folded + assi (attr store1 < 7.75 and attr store1 > 7.65 ) ((attr store1 < 0.789 and attr store1 > 0.729 ) and (bondedto (attr store1 < 113.910722631 and attr store1 > 113.110722631 ) or bondedto (attr store1 < 66.168 and attr store1 > 65.368 ) or bondedto (attr store1 < 18.4252773688 and attr store1 > 17.6252773688 ))) 6 0.1 0.1 peak 1468 volume 19.84641 ppm1 0.759 ppm2 7.700 ! ############### C13_CNnoesy_manual.1469 folded + assi (attr store1 < 4.892 and attr store1 > 4.792 ) ((attr store1 < 0.786 and attr store1 > 0.726 ) and (bondedto (attr store1 < 113.885722631 and attr store1 > 113.085722631 ) or bondedto (attr store1 < 66.143 and attr store1 > 65.343 ) or bondedto (attr store1 < 18.4002773688 and attr store1 > 17.6002773688 ))) 6 0.1 0.1 peak 1469 volume 11.23253 ppm1 0.756 ppm2 4.842 ! ############### C13_CNnoesy_manual.1470 folded + assi (attr store1 < 2.642 and attr store1 > 2.542 ) ((attr store1 < 0.789 and attr store1 > 0.729 ) and (bondedto (attr store1 < 113.904722631 and attr store1 > 113.104722631 ) or bondedto (attr store1 < 66.162 and attr store1 > 65.362 ) or bondedto (attr store1 < 18.4192773688 and attr store1 > 17.6192773688 ))) 6 0.1 0.1 peak 1470 volume 22.00295 ppm1 0.759 ppm2 2.592 ! ############### C13_CNnoesy_manual.1471 folded + assi (attr store1 < 7.56 and attr store1 > 7.46 ) ((attr store1 < 1.399 and attr store1 > 1.339 ) and (bondedto (attr store1 < 113.801722631 and attr store1 > 113.001722631 ) or bondedto (attr store1 < 66.059 and attr store1 > 65.259 ) or bondedto (attr store1 < 18.3162773688 and attr store1 > 17.5162773688 ))) 6 0.1 0.1 peak 1471 volume 7.86537 ppm1 1.369 ppm2 7.510 ! ############### C13_CNnoesy_manual.1472 folded + assi (attr store1 < 7.079 and attr store1 > 6.979 ) ((attr store1 < 1.398 and attr store1 > 1.338 ) and (bondedto (attr store1 < 113.780722631 and attr store1 > 112.980722631 ) or bondedto (attr store1 < 66.038 and attr store1 > 65.238 ) or bondedto (attr store1 < 18.2952773688 and attr store1 > 17.4952773688 ))) 6 0.1 0.1 peak 1472 volume 10.42416 ppm1 1.368 ppm2 7.029 ! ############### C13_CNnoesy_manual.1473 folded + assi (attr store1 < 4.006 and attr store1 > 3.906 ) ((attr store1 < 1.399 and attr store1 > 1.339 ) and (bondedto (attr store1 < 113.808722631 and attr store1 > 113.008722631 ) or bondedto (attr store1 < 66.066 and attr store1 > 65.266 ) or bondedto (attr store1 < 18.3232773688 and attr store1 > 17.5232773688 ))) 6 0.1 0.1 peak 1473 volume 67.13847 ppm1 1.369 ppm2 3.956 ! ############### C13_CNnoesy_manual.1474 folded + assi (attr store1 < 1.583 and attr store1 > 1.483 ) ((attr store1 < 1.399 and attr store1 > 1.339 ) and (bondedto (attr store1 < 113.754722631 and attr store1 > 112.954722631 ) or bondedto (attr store1 < 66.012 and attr store1 > 65.212 ) or bondedto (attr store1 < 18.2692773688 and attr store1 > 17.4692773688 ))) 6 0.1 0.1 peak 1474 volume 88.46592 ppm1 1.369 ppm2 1.533 ! ############### C13_CNnoesy_manual.1475 folded + assi (attr store1 < 1.42 and attr store1 > 1.32 ) ((attr store1 < 1.401 and attr store1 > 1.341 ) and (bondedto (attr store1 < 113.769722631 and attr store1 > 112.969722631 ) or bondedto (attr store1 < 66.027 and attr store1 > 65.227 ) or bondedto (attr store1 < 18.2842773688 and attr store1 > 17.4842773688 ))) 6 0.1 0.1 peak 1475 volume 4190.61865 ppm1 1.371 ppm2 1.370 ! ############### C13_CNnoesy_manual.1476 folded + assi (attr store1 < 1.253 and attr store1 > 1.153 ) ((attr store1 < 1.397 and attr store1 > 1.337 ) and (bondedto (attr store1 < 113.788722631 and attr store1 > 112.988722631 ) or bondedto (attr store1 < 66.046 and attr store1 > 65.246 ) or bondedto (attr store1 < 18.3032773688 and attr store1 > 17.5032773688 ))) 6 0.1 0.1 peak 1476 volume 80.30231 ppm1 1.367 ppm2 1.203 ! ############### C13_CNnoesy_manual.1477 folded + assi (attr store1 < 1.142 and attr store1 > 1.042 ) ((attr store1 < 1.397 and attr store1 > 1.337 ) and (bondedto (attr store1 < 113.781722631 and attr store1 > 112.981722631 ) or bondedto (attr store1 < 66.039 and attr store1 > 65.239 ) or bondedto (attr store1 < 18.2962773688 and attr store1 > 17.4962773688 ))) 6 0.1 0.1 peak 1477 volume 49.27270 ppm1 1.367 ppm2 1.092 ! ############### C13_CNnoesy_manual.1478 folded + assi (attr store1 < 1.428 and attr store1 > 1.328 ) ((attr store1 < 1.177 and attr store1 > 1.117 ) and (bondedto (attr store1 < 113.765722631 and attr store1 > 112.965722631 ) or bondedto (attr store1 < 66.023 and attr store1 > 65.223 ) or bondedto (attr store1 < 18.2802773688 and attr store1 > 17.4802773688 ))) 6 0.1 0.1 peak 1478 volume 18.53950 ppm1 1.147 ppm2 1.378 ! ############### C13_CNnoesy_manual.1479 folded + assi (attr store1 < 1.418 and attr store1 > 1.318 ) ((attr store1 < 1.134 and attr store1 > 1.074 ) and (bondedto (attr store1 < 113.795722631 and attr store1 > 112.995722631 ) or bondedto (attr store1 < 66.053 and attr store1 > 65.253 ) or bondedto (attr store1 < 18.3102773688 and attr store1 > 17.5102773688 ))) 6 0.1 0.1 peak 1479 volume 17.77737 ppm1 1.104 ppm2 1.368 ! ############### C13_CNnoesy_manual.1480 folded + assi (attr store1 < 2.315 and attr store1 > 2.215 ) ((attr store1 < 1.405 and attr store1 > 1.345 ) and (bondedto (attr store1 < 113.654722631 and attr store1 > 112.854722631 ) or bondedto (attr store1 < 65.912 and attr store1 > 65.112 ) or bondedto (attr store1 < 18.1692773688 and attr store1 > 17.3692773688 ))) 6 0.1 0.1 peak 1480 volume 18.28116 ppm1 1.375 ppm2 2.265 ! ############### C13_CNnoesy_manual.1481 folded + assi (attr store1 < 2.015 and attr store1 > 1.915 ) ((attr store1 < 1.403 and attr store1 > 1.343 ) and (bondedto (attr store1 < 113.686722631 and attr store1 > 112.886722631 ) or bondedto (attr store1 < 65.944 and attr store1 > 65.144 ) or bondedto (attr store1 < 18.2012773688 and attr store1 > 17.4012773688 ))) 6 0.1 0.1 peak 1481 volume 25.71787 ppm1 1.373 ppm2 1.965 ! ############### C13_CNnoesy_manual.1482 folded - assi (attr store1 < 2.863 and attr store1 > 2.763 ) ((attr store1 < 2.844 and attr store1 > 2.784 ) and (bondedto (attr store1 < 137.532083947 and attr store1 > 136.732083947 ) or bondedto (attr store1 < 42.0466386844 and attr store1 > 41.2466386844 ))) 6 0.1 0.1 peak 1482 volume 10348.65332 ppm1 2.814 ppm2 2.813 ! ############### C13_CNnoesy_manual.1483 folded - assi (attr store1 < 7.363 and attr store1 > 7.263 ) ((attr store1 < 1.817 and attr store1 > 1.757 ) and (bondedto (attr store1 < 137.520083947 and attr store1 > 136.720083947 ) or bondedto (attr store1 < 42.0346386844 and attr store1 > 41.2346386844 ))) 6 0.1 0.1 peak 1483 volume 27.27422 ppm1 1.787 ppm2 7.313 ! ############### C13_CNnoesy_manual.1484 folded - assi (attr store1 < 6.786 and attr store1 > 6.686 ) ((attr store1 < 1.82 and attr store1 > 1.76 ) and (bondedto (attr store1 < 137.511083947 and attr store1 > 136.711083947 ) or bondedto (attr store1 < 42.0256386844 and attr store1 > 41.2256386844 ))) 6 0.1 0.1 peak 1484 volume 9.47227 ppm1 1.790 ppm2 6.736 ! ############### C13_CNnoesy_manual.1485 folded - assi (attr store1 < 4.133 and attr store1 > 4.033 ) ((attr store1 < 1.557 and attr store1 > 1.497 ) and (bondedto (attr store1 < 137.530083947 and attr store1 > 136.730083947 ) or bondedto (attr store1 < 42.0446386844 and attr store1 > 41.2446386844 ))) 6 0.1 0.1 peak 1485 volume 6.82064 ppm1 1.527 ppm2 4.083 ! ############### C13_CNnoesy_manual.1486 folded - assi (attr store1 < 8.592 and attr store1 > 8.492 ) ((attr store1 < 1.223 and attr store1 > 1.163 ) and (bondedto (attr store1 < 137.509083947 and attr store1 > 136.709083947 ) or bondedto (attr store1 < 42.0236386844 and attr store1 > 41.2236386844 ))) 6 0.1 0.1 peak 1486 volume 10.93536 ppm1 1.193 ppm2 8.542 ! ############### C13_CNnoesy_manual.1487 folded - assi (attr store1 < 7.361 and attr store1 > 7.261 ) ((attr store1 < 1.225 and attr store1 > 1.165 ) and (bondedto (attr store1 < 137.524083947 and attr store1 > 136.724083947 ) or bondedto (attr store1 < 42.0386386844 and attr store1 > 41.2386386844 ))) 6 0.1 0.1 peak 1487 volume 17.927 ppm1 1.195 ppm2 7.311 ! ############### C13_CNnoesy_manual.1488 folded - assi (attr store1 < 4.247 and attr store1 > 4.147 ) ((attr store1 < 1.222 and attr store1 > 1.162 ) and (bondedto (attr store1 < 137.518083947 and attr store1 > 136.718083947 ) or bondedto (attr store1 < 42.0326386844 and attr store1 > 41.2326386844 ))) 6 0.1 0.1 peak 1488 volume 9.01901 ppm1 1.192 ppm2 4.197 ! ############### C13_CNnoesy_manual.1489 folded - assi (attr store1 < 4.005 and attr store1 > 3.905 ) ((attr store1 < 1.223 and attr store1 > 1.163 ) and (bondedto (attr store1 < 137.507083947 and attr store1 > 136.707083947 ) or bondedto (attr store1 < 42.0216386844 and attr store1 > 41.2216386844 ))) 6 0.1 0.1 peak 1489 volume 26.90008 ppm1 1.193 ppm2 3.955 ! ############### C13_CNnoesy_manual.1490 folded - assi (attr store1 < 0.937 and attr store1 > 0.837 ) ((attr store1 < 1.223 and attr store1 > 1.163 ) and (bondedto (attr store1 < 137.510083947 and attr store1 > 136.710083947 ) or bondedto (attr store1 < 42.0246386844 and attr store1 > 41.2246386844 ))) 6 0.1 0.1 peak 1490 volume 29.48872 ppm1 1.193 ppm2 0.887 ! ############### C13_CNnoesy_manual.1491 folded - assi (attr store1 < 2.862 and attr store1 > 2.762 ) ((attr store1 < 1.198 and attr store1 > 1.138 ) and (bondedto (attr store1 < 137.530083947 and attr store1 > 136.730083947 ) or bondedto (attr store1 < 42.0446386844 and attr store1 > 41.2446386844 ))) 6 0.1 0.1 peak 1491 volume 48.77054 ppm1 1.168 ppm2 2.812 ! ############### C13_CNnoesy_manual.1492 folded + assi (attr store1 < 2.861 and attr store1 > 2.761 ) ((attr store1 < 1.165 and attr store1 > 1.105 ) and (bondedto (attr store1 < 113.620722631 and attr store1 > 112.820722631 ) or bondedto (attr store1 < 65.878 and attr store1 > 65.078 ) or bondedto (attr store1 < 18.1352773688 and attr store1 > 17.3352773688 ))) 6 0.1 0.1 peak 1492 volume 10.45508 ppm1 1.135 ppm2 2.811 ! ############### C13_CNnoesy_manual.1493 folded + assi (attr store1 < 4.886 and attr store1 > 4.786 ) ((attr store1 < 1.001 and attr store1 > 0.941 ) and (bondedto (attr store1 < 113.625722631 and attr store1 > 112.825722631 ) or bondedto (attr store1 < 65.883 and attr store1 > 65.083 ) or bondedto (attr store1 < 18.1402773688 and attr store1 > 17.3402773688 ))) 6 0.1 0.1 peak 1493 volume 23.24052 ppm1 0.971 ppm2 4.836 ! ############### C13_CNnoesy_manual.1494 folded + assi (attr store1 < 1.019 and attr store1 > 0.919 ) ((attr store1 < 1.002 and attr store1 > 0.942 ) and (bondedto (attr store1 < 113.598722631 and attr store1 > 112.798722631 ) or bondedto (attr store1 < 65.856 and attr store1 > 65.056 ) or bondedto (attr store1 < 18.1132773688 and attr store1 > 17.3132773688 ))) 6 0.1 0.1 peak 1494 volume 1678.44189 ppm1 0.972 ppm2 0.969 ! ############### C13_CNnoesy_manual.1495 folded + assi (attr store1 < 1.991 and attr store1 > 1.891 ) ((attr store1 < 0.989 and attr store1 > 0.929 ) and (bondedto (attr store1 < 113.611722631 and attr store1 > 112.811722631 ) or bondedto (attr store1 < 65.869 and attr store1 > 65.069 ) or bondedto (attr store1 < 18.1262773688 and attr store1 > 17.3262773688 ))) 6 0.1 0.1 peak 1495 volume 17.34129 ppm1 0.959 ppm2 1.941 ! ############### C13_CNnoesy_manual.1496 folded - assi (attr store1 < 8.59 and attr store1 > 8.49 ) ((attr store1 < 1.815 and attr store1 > 1.755 ) and (bondedto (attr store1 < 137.483083947 and attr store1 > 136.683083947 ) or bondedto (attr store1 < 41.9976386844 and attr store1 > 41.1976386844 ))) 6 0.1 0.1 peak 1496 volume 13.95931 ppm1 1.785 ppm2 8.540 ! ############### C13_CNnoesy_manual.1497 folded - assi (attr store1 < 4.004 and attr store1 > 3.904 ) ((attr store1 < 1.816 and attr store1 > 1.756 ) and (bondedto (attr store1 < 137.491083947 and attr store1 > 136.691083947 ) or bondedto (attr store1 < 42.0056386844 and attr store1 > 41.2056386844 ))) 6 0.1 0.1 peak 1497 volume 21.99043 ppm1 1.786 ppm2 3.954 ! ############### C13_CNnoesy_manual.1498 folded - assi (attr store1 < 1.243 and attr store1 > 1.143 ) ((attr store1 < 1.816 and attr store1 > 1.756 ) and (bondedto (attr store1 < 137.504083947 and attr store1 > 136.704083947 ) or bondedto (attr store1 < 42.0186386844 and attr store1 > 41.2186386844 ))) 6 0.1 0.1 peak 1498 volume 124.31797 ppm1 1.786 ppm2 1.193 ! ############### C13_CNnoesy_manual.1499 folded - assi (attr store1 < 6.784 and attr store1 > 6.684 ) ((attr store1 < 1.22 and attr store1 > 1.16 ) and (bondedto (attr store1 < 137.475083947 and attr store1 > 136.675083947 ) or bondedto (attr store1 < 41.9896386844 and attr store1 > 41.1896386844 ))) 6 0.1 0.1 peak 1499 volume 10.80002 ppm1 1.190 ppm2 6.734 ! ############### C13_CNnoesy_manual.1500 folded - assi (attr store1 < 1.836 and attr store1 > 1.736 ) ((attr store1 < 1.223 and attr store1 > 1.163 ) and (bondedto (attr store1 < 137.503083947 and attr store1 > 136.703083947 ) or bondedto (attr store1 < 42.0176386844 and attr store1 > 41.2176386844 ))) 6 0.1 0.1 peak 1500 volume 139.14072 ppm1 1.193 ppm2 1.786 ! ############### C13_CNnoesy_manual.1501 folded - assi (attr store1 < 1.242 and attr store1 > 1.142 ) ((attr store1 < 1.222 and attr store1 > 1.162 ) and (bondedto (attr store1 < 137.505083947 and attr store1 > 136.705083947 ) or bondedto (attr store1 < 42.0196386844 and attr store1 > 41.2196386844 ))) 6 0.1 0.1 peak 1501 volume 165.23656 ppm1 1.192 ppm2 1.192 ! ############### C13_CNnoesy_manual.1502 folded - assi (attr store1 < 1.053 and attr store1 > 0.953 ) ((attr store1 < 1.225 and attr store1 > 1.165 ) and (bondedto (attr store1 < 137.474083947 and attr store1 > 136.674083947 ) or bondedto (attr store1 < 41.9886386844 and attr store1 > 41.1886386844 ))) 6 0.1 0.1 peak 1502 volume 34.94633 ppm1 1.195 ppm2 1.003 ! ############### C13_CNnoesy_manual.1503 folded + assi (attr store1 < 8.362 and attr store1 > 8.262 ) ((attr store1 < 4.012 and attr store1 > 3.952 ) and (bondedto (attr store1 < 113.524722631 and attr store1 > 112.724722631 ) or bondedto (attr store1 < 65.782 and attr store1 > 64.982 ) or bondedto (attr store1 < 18.0392773688 and attr store1 > 17.2392773688 ))) 6 0.1 0.1 peak 1503 volume 18.58943 ppm1 3.982 ppm2 8.312 ! ############### C13_CNnoesy_manual.1504 folded + assi (attr store1 < 7.848 and attr store1 > 7.748 ) ((attr store1 < 4.01 and attr store1 > 3.95 ) and (bondedto (attr store1 < 113.539722631 and attr store1 > 112.739722631 ) or bondedto (attr store1 < 65.797 and attr store1 > 64.997 ) or bondedto (attr store1 < 18.0542773688 and attr store1 > 17.2542773688 ))) 6 0.1 0.1 peak 1504 volume 9.64954 ppm1 3.980 ppm2 7.798 ! ############### C13_CNnoesy_manual.1505 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 4.007 and attr store1 > 3.947 ) and (bondedto (attr store1 < 113.486722631 and attr store1 > 112.686722631 ) or bondedto (attr store1 < 65.744 and attr store1 > 64.944 ) or bondedto (attr store1 < 18.0012773688 and attr store1 > 17.2012773688 ))) 6 0.1 0.1 peak 1505 volume 11.87100 ppm1 3.977 ppm2 4.839 ! ############### C13_CNnoesy_manual.1506 folded + assi (attr store1 < 4.029 and attr store1 > 3.929 ) ((attr store1 < 4.011 and attr store1 > 3.951 ) and (bondedto (attr store1 < 113.520722631 and attr store1 > 112.720722631 ) or bondedto (attr store1 < 65.778 and attr store1 > 64.978 ) or bondedto (attr store1 < 18.0352773688 and attr store1 > 17.2352773688 ))) 6 0.1 0.1 peak 1506 volume 848.29028 ppm1 3.981 ppm2 3.979 ! ############### C13_CNnoesy_manual.1507 folded + assi (attr store1 < 2.348 and attr store1 > 2.248 ) ((attr store1 < 4.012 and attr store1 > 3.952 ) and (bondedto (attr store1 < 113.519722631 and attr store1 > 112.719722631 ) or bondedto (attr store1 < 65.777 and attr store1 > 64.977 ) or bondedto (attr store1 < 18.0342773688 and attr store1 > 17.2342773688 ))) 6 0.1 0.1 peak 1507 volume 45.94125 ppm1 3.982 ppm2 2.298 ! ############### C13_CNnoesy_manual.1508 folded + assi (attr store1 < 1.15 and attr store1 > 1.05 ) ((attr store1 < 4.013 and attr store1 > 3.953 ) and (bondedto (attr store1 < 113.517722631 and attr store1 > 112.717722631 ) or bondedto (attr store1 < 65.775 and attr store1 > 64.975 ) or bondedto (attr store1 < 18.0322773688 and attr store1 > 17.2322773688 ))) 6 0.1 0.1 peak 1508 volume 90.16852 ppm1 3.983 ppm2 1.100 ! ############### C13_CNnoesy_manual.1509 folded + assi (attr store1 < 1.436 and attr store1 > 1.336 ) ((attr store1 < 3.846 and attr store1 > 3.786 ) and (bondedto (attr store1 < 113.487722631 and attr store1 > 112.687722631 ) or bondedto (attr store1 < 65.745 and attr store1 > 64.945 ) or bondedto (attr store1 < 18.0022773688 and attr store1 > 17.2022773688 ))) 6 0.1 0.1 peak 1509 volume 24.45499 ppm1 3.816 ppm2 1.386 ! ############### C13_CNnoesy_manual.1510 folded + assi (attr store1 < 8.202 and attr store1 > 8.102 ) ((attr store1 < 1.414 and attr store1 > 1.354 ) and (bondedto (attr store1 < 113.516722631 and attr store1 > 112.716722631 ) or bondedto (attr store1 < 65.774 and attr store1 > 64.974 ) or bondedto (attr store1 < 18.0312773688 and attr store1 > 17.2312773688 ))) 6 0.1 0.1 peak 1510 volume 89.08898 ppm1 1.384 ppm2 8.152 ! ############### C13_CNnoesy_manual.1511 folded + assi (attr store1 < 7.898 and attr store1 > 7.798 ) ((attr store1 < 1.413 and attr store1 > 1.353 ) and (bondedto (attr store1 < 113.529722631 and attr store1 > 112.729722631 ) or bondedto (attr store1 < 65.787 and attr store1 > 64.987 ) or bondedto (attr store1 < 18.0442773688 and attr store1 > 17.2442773688 ))) 6 0.1 0.1 peak 1511 volume 37.52832 ppm1 1.383 ppm2 7.848 ! ############### C13_CNnoesy_manual.1512 folded + assi (attr store1 < 4.08 and attr store1 > 3.98 ) ((attr store1 < 1.414 and attr store1 > 1.354 ) and (bondedto (attr store1 < 113.540722631 and attr store1 > 112.740722631 ) or bondedto (attr store1 < 65.798 and attr store1 > 64.998 ) or bondedto (attr store1 < 18.0552773688 and attr store1 > 17.2552773688 ))) 6 0.1 0.1 peak 1512 volume 52.60226 ppm1 1.384 ppm2 4.030 ! ############### C13_CNnoesy_manual.1513 folded + assi (attr store1 < 3.873 and attr store1 > 3.773 ) ((attr store1 < 1.414 and attr store1 > 1.354 ) and (bondedto (attr store1 < 113.499722631 and attr store1 > 112.699722631 ) or bondedto (attr store1 < 65.757 and attr store1 > 64.957 ) or bondedto (attr store1 < 18.0142773688 and attr store1 > 17.2142773688 ))) 6 0.1 0.1 peak 1513 volume 149.71414 ppm1 1.384 ppm2 3.823 ! ############### C13_CNnoesy_manual.1514 folded + assi (attr store1 < 2.154 and attr store1 > 2.054 ) ((attr store1 < 1.415 and attr store1 > 1.355 ) and (bondedto (attr store1 < 113.499722631 and attr store1 > 112.699722631 ) or bondedto (attr store1 < 65.757 and attr store1 > 64.957 ) or bondedto (attr store1 < 18.0142773688 and attr store1 > 17.2142773688 ))) 6 0.1 0.1 peak 1514 volume 23.13962 ppm1 1.385 ppm2 2.104 ! ############### C13_CNnoesy_manual.1515 folded + assi (attr store1 < 0.924 and attr store1 > 0.824 ) ((attr store1 < 1.414 and attr store1 > 1.354 ) and (bondedto (attr store1 < 113.516722631 and attr store1 > 112.716722631 ) or bondedto (attr store1 < 65.774 and attr store1 > 64.974 ) or bondedto (attr store1 < 18.0312773688 and attr store1 > 17.2312773688 ))) 6 0.1 0.1 peak 1515 volume 169.38947 ppm1 1.384 ppm2 0.874 ! ############### C13_CNnoesy_manual.1516 folded + assi (attr store1 < 0.137 and attr store1 > 0.037 ) ((attr store1 < 1.416 and attr store1 > 1.356 ) and (bondedto (attr store1 < 113.499722631 and attr store1 > 112.699722631 ) or bondedto (attr store1 < 65.757 and attr store1 > 64.957 ) or bondedto (attr store1 < 18.0142773688 and attr store1 > 17.2142773688 ))) 6 0.1 0.1 peak 1516 volume 19.11931 ppm1 1.386 ppm2 0.087 ! ############### C13_CNnoesy_manual.1517 folded - assi (attr store1 < 4.716 and attr store1 > 4.616 ) ((attr store1 < 2.749 and attr store1 > 2.689 ) and (bondedto (attr store1 < 137.228083947 and attr store1 > 136.428083947 ) or bondedto (attr store1 < 41.7426386844 and attr store1 > 40.9426386844 ))) 6 0.1 0.1 peak 1517 volume 8.24207 ppm1 2.719 ppm2 4.666 ! ############### C13_CNnoesy_manual.1518 folded + assi (attr store1 < 8.519 and attr store1 > 8.419 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 113.164722631 and attr store1 > 112.364722631 ) or bondedto (attr store1 < 65.422 and attr store1 > 64.622 ) or bondedto (attr store1 < 17.6792773688 and attr store1 > 16.8792773688 ))) 6 0.1 0.1 peak 1518 volume 10.97608 ppm1 3.818 ppm2 8.469 ! ############### C13_CNnoesy_manual.1519 folded + assi (attr store1 < 8.224 and attr store1 > 8.124 ) ((attr store1 < 3.849 and attr store1 > 3.789 ) and (bondedto (attr store1 < 113.137722631 and attr store1 > 112.337722631 ) or bondedto (attr store1 < 65.395 and attr store1 > 64.595 ) or bondedto (attr store1 < 17.6522773688 and attr store1 > 16.8522773688 ))) 6 0.1 0.1 peak 1519 volume 34.39304 ppm1 3.819 ppm2 8.174 ! ############### C13_CNnoesy_manual.1520 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 3.846 and attr store1 > 3.786 ) and (bondedto (attr store1 < 113.138722631 and attr store1 > 112.338722631 ) or bondedto (attr store1 < 65.396 and attr store1 > 64.596 ) or bondedto (attr store1 < 17.6532773688 and attr store1 > 16.8532773688 ))) 6 0.1 0.1 peak 1520 volume 13.21193 ppm1 3.816 ppm2 4.839 ! ############### C13_CNnoesy_manual.1521 folded + assi (attr store1 < 4.188 and attr store1 > 4.088 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 113.133722631 and attr store1 > 112.333722631 ) or bondedto (attr store1 < 65.391 and attr store1 > 64.591 ) or bondedto (attr store1 < 17.6482773688 and attr store1 > 16.8482773688 ))) 6 0.1 0.1 peak 1521 volume 23.02120 ppm1 3.818 ppm2 4.138 ! ############### C13_CNnoesy_manual.1522 folded + assi (attr store1 < 3.869 and attr store1 > 3.769 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 113.131722631 and attr store1 > 112.331722631 ) or bondedto (attr store1 < 65.389 and attr store1 > 64.589 ) or bondedto (attr store1 < 17.6462773688 and attr store1 > 16.8462773688 ))) 6 0.1 0.1 peak 1522 volume 624.43787 ppm1 3.818 ppm2 3.819 ! ############### C13_CNnoesy_manual.1523 folded + assi (attr store1 < 2.246 and attr store1 > 2.146 ) ((attr store1 < 3.849 and attr store1 > 3.789 ) and (bondedto (attr store1 < 113.149722631 and attr store1 > 112.349722631 ) or bondedto (attr store1 < 65.407 and attr store1 > 64.607 ) or bondedto (attr store1 < 17.6642773688 and attr store1 > 16.8642773688 ))) 6 0.1 0.1 peak 1523 volume 35.41082 ppm1 3.819 ppm2 2.196 ! ############### C13_CNnoesy_manual.1524 folded + assi (attr store1 < 1.965 and attr store1 > 1.865 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 113.118722631 and attr store1 > 112.318722631 ) or bondedto (attr store1 < 65.376 and attr store1 > 64.576 ) or bondedto (attr store1 < 17.6332773688 and attr store1 > 16.8332773688 ))) 6 0.1 0.1 peak 1524 volume 47.72829 ppm1 3.818 ppm2 1.915 ! ############### C13_CNnoesy_manual.1525 folded + assi (attr store1 < 1.262 and attr store1 > 1.162 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 113.136722631 and attr store1 > 112.336722631 ) or bondedto (attr store1 < 65.394 and attr store1 > 64.594 ) or bondedto (attr store1 < 17.6512773688 and attr store1 > 16.8512773688 ))) 6 0.1 0.1 peak 1525 volume 54.17022 ppm1 3.818 ppm2 1.212 ! ############### C13_CNnoesy_manual.1526 folded + assi (attr store1 < 1.097 and attr store1 > 0.997 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 113.142722631 and attr store1 > 112.342722631 ) or bondedto (attr store1 < 65.4 and attr store1 > 64.6 ) or bondedto (attr store1 < 17.6572773688 and attr store1 > 16.8572773688 ))) 6 0.1 0.1 peak 1526 volume 70.87081 ppm1 3.818 ppm2 1.047 ! ############### C13_CNnoesy_manual.1527 folded + assi (attr store1 < 0.937 and attr store1 > 0.837 ) ((attr store1 < 3.847 and attr store1 > 3.787 ) and (bondedto (attr store1 < 113.132722631 and attr store1 > 112.332722631 ) or bondedto (attr store1 < 65.39 and attr store1 > 64.59 ) or bondedto (attr store1 < 17.6472773688 and attr store1 > 16.8472773688 ))) 6 0.1 0.1 peak 1527 volume 29.22754 ppm1 3.817 ppm2 0.887 ! ############### C13_CNnoesy_manual.1528 folded + assi (attr store1 < 3.871 and attr store1 > 3.771 ) ((attr store1 < 2.217 and attr store1 > 2.157 ) and (bondedto (attr store1 < 113.117722631 and attr store1 > 112.317722631 ) or bondedto (attr store1 < 65.375 and attr store1 > 64.575 ) or bondedto (attr store1 < 17.6322773688 and attr store1 > 16.8322773688 ))) 6 0.1 0.1 peak 1528 volume 19.87552 ppm1 2.187 ppm2 3.821 ! ############### C13_CNnoesy_manual.1529 folded + assi (attr store1 < 2.228 and attr store1 > 2.128 ) ((attr store1 < 2.21 and attr store1 > 2.15 ) and (bondedto (attr store1 < 113.093722631 and attr store1 > 112.293722631 ) or bondedto (attr store1 < 65.351 and attr store1 > 64.551 ) or bondedto (attr store1 < 17.6082773688 and attr store1 > 16.8082773688 ))) 6 0.1 0.1 peak 1529 volume 237.23039 ppm1 2.180 ppm2 2.178 ! ############### C13_CNnoesy_manual.1530 folded + assi (attr store1 < 8.061 and attr store1 > 7.961 ) ((attr store1 < 0.777 and attr store1 > 0.717 ) and (bondedto (attr store1 < 112.924722631 and attr store1 > 112.124722631 ) or bondedto (attr store1 < 65.182 and attr store1 > 64.382 ) or bondedto (attr store1 < 17.4392773688 and attr store1 > 16.6392773688 ))) 6 0.1 0.1 peak 1530 volume 5.69874 ppm1 0.747 ppm2 8.011 ! ############### C13_CNnoesy_manual.1531 folded + assi (attr store1 < 7.286 and attr store1 > 7.186 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.922722631 and attr store1 > 112.122722631 ) or bondedto (attr store1 < 65.18 and attr store1 > 64.38 ) or bondedto (attr store1 < 17.4372773688 and attr store1 > 16.6372773688 ))) 6 0.1 0.1 peak 1531 volume 18.86987 ppm1 0.746 ppm2 7.236 ! ############### C13_CNnoesy_manual.1532 folded + assi (attr store1 < 4.386 and attr store1 > 4.286 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.896722631 and attr store1 > 112.096722631 ) or bondedto (attr store1 < 65.154 and attr store1 > 64.354 ) or bondedto (attr store1 < 17.4112773688 and attr store1 > 16.6112773688 ))) 6 0.1 0.1 peak 1532 volume 32.00233 ppm1 0.746 ppm2 4.336 ! ############### C13_CNnoesy_manual.1533 folded + assi (attr store1 < 2.352 and attr store1 > 2.252 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.896722631 and attr store1 > 112.096722631 ) or bondedto (attr store1 < 65.154 and attr store1 > 64.354 ) or bondedto (attr store1 < 17.4112773688 and attr store1 > 16.6112773688 ))) 6 0.1 0.1 peak 1533 volume 20.46310 ppm1 0.746 ppm2 2.302 ! ############### C13_CNnoesy_manual.1534 folded + assi (attr store1 < 1.754 and attr store1 > 1.654 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.897722631 and attr store1 > 112.097722631 ) or bondedto (attr store1 < 65.155 and attr store1 > 64.355 ) or bondedto (attr store1 < 17.4122773688 and attr store1 > 16.6122773688 ))) 6 0.1 0.1 peak 1534 volume 96.37828 ppm1 0.746 ppm2 1.704 ! ############### C13_CNnoesy_manual.1535 folded + assi (attr store1 < 1.625 and attr store1 > 1.525 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.889722631 and attr store1 > 112.089722631 ) or bondedto (attr store1 < 65.147 and attr store1 > 64.347 ) or bondedto (attr store1 < 17.4042773688 and attr store1 > 16.6042773688 ))) 6 0.1 0.1 peak 1535 volume 133.71794 ppm1 0.746 ppm2 1.575 ! ############### C13_CNnoesy_manual.1536 folded - assi (attr store1 < 7.384 and attr store1 > 7.284 ) ((attr store1 < 3.047 and attr store1 > 2.987 ) and (bondedto (attr store1 < 136.775083947 and attr store1 > 135.975083947 ) or bondedto (attr store1 < 41.2896386844 and attr store1 > 40.4896386844 ))) 6 0.1 0.1 peak 1536 volume 6.58919 ppm1 3.017 ppm2 7.334 ! ############### C13_CNnoesy_manual.1537 folded + assi (attr store1 < 8.46 and attr store1 > 8.36 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.830722631 and attr store1 > 112.030722631 ) or bondedto (attr store1 < 65.088 and attr store1 > 64.288 ) or bondedto (attr store1 < 17.3452773688 and attr store1 > 16.5452773688 ))) 6 0.1 0.1 peak 1537 volume 6.13194 ppm1 0.746 ppm2 8.410 ! ############### C13_CNnoesy_manual.1538 folded + assi (attr store1 < 7.739 and attr store1 > 7.639 ) ((attr store1 < 0.775 and attr store1 > 0.715 ) and (bondedto (attr store1 < 112.874722631 and attr store1 > 112.074722631 ) or bondedto (attr store1 < 65.132 and attr store1 > 64.332 ) or bondedto (attr store1 < 17.3892773688 and attr store1 > 16.5892773688 ))) 6 0.1 0.1 peak 1538 volume 22.34875 ppm1 0.745 ppm2 7.689 ! ############### C13_CNnoesy_manual.1539 folded + assi (attr store1 < 4.153 and attr store1 > 4.053 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.886722631 and attr store1 > 112.086722631 ) or bondedto (attr store1 < 65.144 and attr store1 > 64.344 ) or bondedto (attr store1 < 17.4012773688 and attr store1 > 16.6012773688 ))) 6 0.1 0.1 peak 1539 volume 72.79756 ppm1 0.746 ppm2 4.103 ! ############### C13_CNnoesy_manual.1540 folded + assi (attr store1 < 3.856 and attr store1 > 3.756 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.885722631 and attr store1 > 112.085722631 ) or bondedto (attr store1 < 65.143 and attr store1 > 64.343 ) or bondedto (attr store1 < 17.4002773688 and attr store1 > 16.6002773688 ))) 6 0.1 0.1 peak 1540 volume 51.32240 ppm1 0.746 ppm2 3.806 ! ############### C13_CNnoesy_manual.1541 folded + assi (attr store1 < 3.688 and attr store1 > 3.588 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.882722631 and attr store1 > 112.082722631 ) or bondedto (attr store1 < 65.14 and attr store1 > 64.34 ) or bondedto (attr store1 < 17.3972773688 and attr store1 > 16.5972773688 ))) 6 0.1 0.1 peak 1541 volume 9.84629 ppm1 0.746 ppm2 3.638 ! ############### C13_CNnoesy_manual.1542 folded + assi (attr store1 < 2.064 and attr store1 > 1.964 ) ((attr store1 < 0.778 and attr store1 > 0.718 ) and (bondedto (attr store1 < 112.855722631 and attr store1 > 112.055722631 ) or bondedto (attr store1 < 65.113 and attr store1 > 64.313 ) or bondedto (attr store1 < 17.3702773688 and attr store1 > 16.5702773688 ))) 6 0.1 0.1 peak 1542 volume 7.76993 ppm1 0.748 ppm2 2.014 ! ############### C13_CNnoesy_manual.1543 folded + assi (attr store1 < 1.405 and attr store1 > 1.305 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.886722631 and attr store1 > 112.086722631 ) or bondedto (attr store1 < 65.144 and attr store1 > 64.344 ) or bondedto (attr store1 < 17.4012773688 and attr store1 > 16.6012773688 ))) 6 0.1 0.1 peak 1543 volume 35.54228 ppm1 0.746 ppm2 1.355 ! ############### C13_CNnoesy_manual.1544 folded + assi (attr store1 < 0.952 and attr store1 > 0.852 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.847722631 and attr store1 > 112.047722631 ) or bondedto (attr store1 < 65.105 and attr store1 > 64.305 ) or bondedto (attr store1 < 17.3622773688 and attr store1 > 16.5622773688 ))) 6 0.1 0.1 peak 1544 volume 87.19889 ppm1 0.746 ppm2 0.902 ! ############### C13_CNnoesy_manual.1545 folded + assi (attr store1 < 0.796 and attr store1 > 0.696 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.874722631 and attr store1 > 112.074722631 ) or bondedto (attr store1 < 65.132 and attr store1 > 64.332 ) or bondedto (attr store1 < 17.3892773688 and attr store1 > 16.5892773688 ))) 6 0.1 0.1 peak 1545 volume 2500.91064 ppm1 0.746 ppm2 0.746 ! ############### C13_CNnoesy_manual.1546 folded + assi (attr store1 < 0.637 and attr store1 > 0.537 ) ((attr store1 < 0.775 and attr store1 > 0.715 ) and (bondedto (attr store1 < 112.885722631 and attr store1 > 112.085722631 ) or bondedto (attr store1 < 65.143 and attr store1 > 64.343 ) or bondedto (attr store1 < 17.4002773688 and attr store1 > 16.6002773688 ))) 6 0.1 0.1 peak 1546 volume 43.85971 ppm1 0.745 ppm2 0.587 ! ############### C13_CNnoesy_manual.1547 folded + assi (attr store1 < 0.129 and attr store1 > 0.029 ) ((attr store1 < 0.776 and attr store1 > 0.716 ) and (bondedto (attr store1 < 112.886722631 and attr store1 > 112.086722631 ) or bondedto (attr store1 < 65.144 and attr store1 > 64.344 ) or bondedto (attr store1 < 17.4012773688 and attr store1 > 16.6012773688 ))) 6 0.1 0.1 peak 1547 volume 141.78156 ppm1 0.746 ppm2 0.079 ! ############### C13_CNnoesy_manual.1548 folded - assi (attr store1 < 4.24 and attr store1 > 4.14 ) ((attr store1 < 3.056 and attr store1 > 2.996 ) and (bondedto (attr store1 < 136.701083947 and attr store1 > 135.901083947 ) or bondedto (attr store1 < 41.2156386844 and attr store1 > 40.4156386844 ))) 6 0.1 0.1 peak 1548 volume 6.01079 ppm1 3.026 ppm2 4.190 ! ############### C13_CNnoesy_manual.1549 folded - assi (attr store1 < 3.711 and attr store1 > 3.611 ) ((attr store1 < 3.054 and attr store1 > 2.994 ) and (bondedto (attr store1 < 136.719083947 and attr store1 > 135.919083947 ) or bondedto (attr store1 < 41.2336386844 and attr store1 > 40.4336386844 ))) 6 0.1 0.1 peak 1549 volume 11.83545 ppm1 3.024 ppm2 3.661 ! ############### C13_CNnoesy_manual.1550 folded - assi (attr store1 < 3.067 and attr store1 > 2.967 ) ((attr store1 < 3.051 and attr store1 > 2.991 ) and (bondedto (attr store1 < 136.688083947 and attr store1 > 135.888083947 ) or bondedto (attr store1 < 41.2026386844 and attr store1 > 40.4026386844 ))) 6 0.1 0.1 peak 1550 volume 1009.62817 ppm1 3.021 ppm2 3.017 ! ############### C13_CNnoesy_manual.1551 folded - assi (attr store1 < 1.778 and attr store1 > 1.678 ) ((attr store1 < 3.054 and attr store1 > 2.994 ) and (bondedto (attr store1 < 136.694083947 and attr store1 > 135.894083947 ) or bondedto (attr store1 < 41.2086386844 and attr store1 > 40.4086386844 ))) 6 0.1 0.1 peak 1551 volume 68.31851 ppm1 3.024 ppm2 1.728 ! ############### C13_CNnoesy_manual.1552 folded - assi (attr store1 < 1.509 and attr store1 > 1.409 ) ((attr store1 < 3.053 and attr store1 > 2.993 ) and (bondedto (attr store1 < 136.693083947 and attr store1 > 135.893083947 ) or bondedto (attr store1 < 41.2076386844 and attr store1 > 40.4076386844 ))) 6 0.1 0.1 peak 1552 volume 56.02534 ppm1 3.023 ppm2 1.459 ! ############### C13_CNnoesy_manual.1553 folded - assi (attr store1 < 0.878 and attr store1 > 0.778 ) ((attr store1 < 3.055 and attr store1 > 2.995 ) and (bondedto (attr store1 < 136.711083947 and attr store1 > 135.911083947 ) or bondedto (attr store1 < 41.2256386844 and attr store1 > 40.4256386844 ))) 6 0.1 0.1 peak 1553 volume 16.23396 ppm1 3.025 ppm2 0.828 ! ############### C13_CNnoesy_manual.1554 folded - assi (attr store1 < 0.352 and attr store1 > 0.252 ) ((attr store1 < 3.059 and attr store1 > 2.999 ) and (bondedto (attr store1 < 136.707083947 and attr store1 > 135.907083947 ) or bondedto (attr store1 < 41.2216386844 and attr store1 > 40.4216386844 ))) 6 0.1 0.1 peak 1554 volume 14.06895 ppm1 3.029 ppm2 0.302 ! ############### C13_CNnoesy_manual.1555 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 3.047 and attr store1 > 2.987 ) and (bondedto (attr store1 < 136.729083947 and attr store1 > 135.929083947 ) or bondedto (attr store1 < 41.2436386844 and attr store1 > 40.4436386844 ))) 6 0.1 0.1 peak 1555 volume 55.68074 ppm1 3.017 ppm2 4.839 ! ############### C13_CNnoesy_manual.1556 folded + assi (attr store1 < 0.977 and attr store1 > 0.877 ) ((attr store1 < 0.971 and attr store1 > 0.911 ) and (bondedto (attr store1 < 112.734722631 and attr store1 > 111.934722631 ) or bondedto (attr store1 < 64.992 and attr store1 > 64.192 ) or bondedto (attr store1 < 17.2492773688 and attr store1 > 16.4492773688 ))) 6 0.1 0.1 peak 1556 volume 163.11977 ppm1 0.941 ppm2 0.927 ! ############### C13_CNnoesy_manual.1557 folded + assi (attr store1 < 8.487 and attr store1 > 8.387 ) ((attr store1 < 0.902 and attr store1 > 0.842 ) and (bondedto (attr store1 < 112.749722631 and attr store1 > 111.949722631 ) or bondedto (attr store1 < 65.007 and attr store1 > 64.207 ) or bondedto (attr store1 < 17.2642773688 and attr store1 > 16.4642773688 ))) 6 0.1 0.1 peak 1557 volume 26.08971 ppm1 0.872 ppm2 8.437 ! ############### C13_CNnoesy_manual.1558 folded + assi (attr store1 < 8.046 and attr store1 > 7.946 ) ((attr store1 < 0.902 and attr store1 > 0.842 ) and (bondedto (attr store1 < 112.739722631 and attr store1 > 111.939722631 ) or bondedto (attr store1 < 64.997 and attr store1 > 64.197 ) or bondedto (attr store1 < 17.2542773688 and attr store1 > 16.4542773688 ))) 6 0.1 0.1 peak 1558 volume 21.60350 ppm1 0.872 ppm2 7.996 ! ############### C13_CNnoesy_manual.1559 folded + assi (attr store1 < 4.098 and attr store1 > 3.998 ) ((attr store1 < 0.902 and attr store1 > 0.842 ) and (bondedto (attr store1 < 112.750722631 and attr store1 > 111.950722631 ) or bondedto (attr store1 < 65.008 and attr store1 > 64.208 ) or bondedto (attr store1 < 17.2652773688 and attr store1 > 16.4652773688 ))) 6 0.1 0.1 peak 1559 volume 21.41326 ppm1 0.872 ppm2 4.048 ! ############### C13_CNnoesy_manual.1560 folded + assi (attr store1 < 3.881 and attr store1 > 3.781 ) ((attr store1 < 0.902 and attr store1 > 0.842 ) and (bondedto (attr store1 < 112.737722631 and attr store1 > 111.937722631 ) or bondedto (attr store1 < 64.995 and attr store1 > 64.195 ) or bondedto (attr store1 < 17.2522773688 and attr store1 > 16.4522773688 ))) 6 0.1 0.1 peak 1560 volume 21.74045 ppm1 0.872 ppm2 3.831 ! ############### C13_CNnoesy_manual.1561 folded + assi (attr store1 < 3.581 and attr store1 > 3.481 ) ((attr store1 < 0.902 and attr store1 > 0.842 ) and (bondedto (attr store1 < 112.735722631 and attr store1 > 111.935722631 ) or bondedto (attr store1 < 64.993 and attr store1 > 64.193 ) or bondedto (attr store1 < 17.2502773688 and attr store1 > 16.4502773688 ))) 6 0.1 0.1 peak 1561 volume 58.08245 ppm1 0.872 ppm2 3.531 ! ############### C13_CNnoesy_manual.1562 folded + assi (attr store1 < 2.432 and attr store1 > 2.332 ) ((attr store1 < 0.905 and attr store1 > 0.845 ) and (bondedto (attr store1 < 112.736722631 and attr store1 > 111.936722631 ) or bondedto (attr store1 < 64.994 and attr store1 > 64.194 ) or bondedto (attr store1 < 17.2512773688 and attr store1 > 16.4512773688 ))) 6 0.1 0.1 peak 1562 volume 7.00793 ppm1 0.875 ppm2 2.382 ! ############### C13_CNnoesy_manual.1563 folded + assi (attr store1 < 2.138 and attr store1 > 2.038 ) ((attr store1 < 0.902 and attr store1 > 0.842 ) and (bondedto (attr store1 < 112.738722631 and attr store1 > 111.938722631 ) or bondedto (attr store1 < 64.996 and attr store1 > 64.196 ) or bondedto (attr store1 < 17.2532773688 and attr store1 > 16.4532773688 ))) 6 0.1 0.1 peak 1563 volume 103.65217 ppm1 0.872 ppm2 2.088 ! ############### C13_CNnoesy_manual.1564 folded + assi (attr store1 < 0.923 and attr store1 > 0.823 ) ((attr store1 < 0.902 and attr store1 > 0.842 ) and (bondedto (attr store1 < 112.742722631 and attr store1 > 111.942722631 ) or bondedto (attr store1 < 65.0 and attr store1 > 64.2 ) or bondedto (attr store1 < 17.2572773688 and attr store1 > 16.4572773688 ))) 6 0.1 0.1 peak 1564 volume 2618.28613 ppm1 0.872 ppm2 0.873 ! ############### C13_CNnoesy_manual.1565 folded + assi (attr store1 < 8.215 and attr store1 > 8.115 ) ((attr store1 < 0.899 and attr store1 > 0.839 ) and (bondedto (attr store1 < 112.751722631 and attr store1 > 111.951722631 ) or bondedto (attr store1 < 65.009 and attr store1 > 64.209 ) or bondedto (attr store1 < 17.2662773688 and attr store1 > 16.4662773688 ))) 6 0.1 0.1 peak 1565 volume 7.49896 ppm1 0.869 ppm2 8.165 ! ############### C13_CNnoesy_manual.1566 folded + assi (attr store1 < 1.945 and attr store1 > 1.845 ) ((attr store1 < 0.901 and attr store1 > 0.841 ) and (bondedto (attr store1 < 112.740722631 and attr store1 > 111.940722631 ) or bondedto (attr store1 < 64.998 and attr store1 > 64.198 ) or bondedto (attr store1 < 17.2552773688 and attr store1 > 16.4552773688 ))) 6 0.1 0.1 peak 1566 volume 76.08576 ppm1 0.871 ppm2 1.895 ! ############### C13_CNnoesy_manual.1567 folded + assi (attr store1 < 1.585 and attr store1 > 1.485 ) ((attr store1 < 0.897 and attr store1 > 0.837 ) and (bondedto (attr store1 < 112.782722631 and attr store1 > 111.982722631 ) or bondedto (attr store1 < 65.04 and attr store1 > 64.24 ) or bondedto (attr store1 < 17.2972773688 and attr store1 > 16.4972773688 ))) 6 0.1 0.1 peak 1567 volume 13.27919 ppm1 0.867 ppm2 1.535 ! ############### C13_CNnoesy_manual.1568 folded + assi (attr store1 < 1.427 and attr store1 > 1.327 ) ((attr store1 < 0.901 and attr store1 > 0.841 ) and (bondedto (attr store1 < 112.748722631 and attr store1 > 111.948722631 ) or bondedto (attr store1 < 65.006 and attr store1 > 64.206 ) or bondedto (attr store1 < 17.2632773688 and attr store1 > 16.4632773688 ))) 6 0.1 0.1 peak 1568 volume 56.04559 ppm1 0.871 ppm2 1.377 ! ############### C13_CNnoesy_manual.1569 folded + assi (attr store1 < 4.753 and attr store1 > 4.653 ) ((attr store1 < 4.188 and attr store1 > 4.128 ) and (bondedto (attr store1 < 112.630722631 and attr store1 > 111.830722631 ) or bondedto (attr store1 < 64.888 and attr store1 > 64.088 ) or bondedto (attr store1 < 17.1452773688 and attr store1 > 16.3452773688 ))) 6 0.1 0.1 peak 1569 volume 58.49603 ppm1 4.158 ppm2 4.703 ! ############### C13_CNnoesy_manual.1570 folded + assi (attr store1 < 7.634 and attr store1 > 7.534 ) ((attr store1 < 4.134 and attr store1 > 4.074 ) and (bondedto (attr store1 < 112.621722631 and attr store1 > 111.821722631 ) or bondedto (attr store1 < 64.879 and attr store1 > 64.079 ) or bondedto (attr store1 < 17.1362773688 and attr store1 > 16.3362773688 ))) 6 0.1 0.1 peak 1570 volume 8.59780 ppm1 4.104 ppm2 7.584 ! ############### C13_CNnoesy_manual.1571 folded + assi (attr store1 < 7.459 and attr store1 > 7.359 ) ((attr store1 < 4.137 and attr store1 > 4.077 ) and (bondedto (attr store1 < 112.633722631 and attr store1 > 111.833722631 ) or bondedto (attr store1 < 64.891 and attr store1 > 64.091 ) or bondedto (attr store1 < 17.1482773688 and attr store1 > 16.3482773688 ))) 6 0.1 0.1 peak 1571 volume 28.71860 ppm1 4.107 ppm2 7.409 ! ############### C13_CNnoesy_manual.1572 folded + assi (attr store1 < 4.754 and attr store1 > 4.654 ) ((attr store1 < 4.137 and attr store1 > 4.077 ) and (bondedto (attr store1 < 112.625722631 and attr store1 > 111.825722631 ) or bondedto (attr store1 < 64.883 and attr store1 > 64.083 ) or bondedto (attr store1 < 17.1402773688 and attr store1 > 16.3402773688 ))) 6 0.1 0.1 peak 1572 volume 62.22394 ppm1 4.107 ppm2 4.704 ! ############### C13_CNnoesy_manual.1573 folded + assi (attr store1 < 7.48 and attr store1 > 7.38 ) ((attr store1 < 4.19 and attr store1 > 4.13 ) and (bondedto (attr store1 < 112.608722631 and attr store1 > 111.808722631 ) or bondedto (attr store1 < 64.866 and attr store1 > 64.066 ) or bondedto (attr store1 < 17.1232773688 and attr store1 > 16.3232773688 ))) 6 0.1 0.1 peak 1573 volume 29.13359 ppm1 4.160 ppm2 7.430 ! ############### C13_CNnoesy_manual.1574 folded + assi (attr store1 < 3.675 and attr store1 > 3.575 ) ((attr store1 < 4.355 and attr store1 > 4.295 ) and (bondedto (attr store1 < 112.500722631 and attr store1 > 111.700722631 ) or bondedto (attr store1 < 64.758 and attr store1 > 63.958 ) or bondedto (attr store1 < 17.0152773688 and attr store1 > 16.2152773688 ))) 6 0.1 0.1 peak 1574 volume 6.60324 ppm1 4.325 ppm2 3.625 ! ############### C13_CNnoesy_manual.1575 folded + assi (attr store1 < 7.75 and attr store1 > 7.65 ) ((attr store1 < 4.35 and attr store1 > 4.29 ) and (bondedto (attr store1 < 112.427722631 and attr store1 > 111.627722631 ) or bondedto (attr store1 < 64.685 and attr store1 > 63.885 ) or bondedto (attr store1 < 16.9422773688 and attr store1 > 16.1422773688 ))) 6 0.1 0.1 peak 1575 volume 10.68750 ppm1 4.320 ppm2 7.700 ! ############### C13_CNnoesy_manual.1576 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 4.35 and attr store1 > 4.29 ) and (bondedto (attr store1 < 112.447722631 and attr store1 > 111.647722631 ) or bondedto (attr store1 < 64.705 and attr store1 > 63.905 ) or bondedto (attr store1 < 16.9622773688 and attr store1 > 16.1622773688 ))) 6 0.1 0.1 peak 1576 volume 60.69876 ppm1 4.320 ppm2 4.839 ! ############### C13_CNnoesy_manual.1577 folded + assi (attr store1 < 4.369 and attr store1 > 4.269 ) ((attr store1 < 4.349 and attr store1 > 4.289 ) and (bondedto (attr store1 < 112.446722631 and attr store1 > 111.646722631 ) or bondedto (attr store1 < 64.704 and attr store1 > 63.904 ) or bondedto (attr store1 < 16.9612773688 and attr store1 > 16.1612773688 ))) 6 0.1 0.1 peak 1577 volume 447.74512 ppm1 4.319 ppm2 4.319 ! ############### C13_CNnoesy_manual.1578 folded + assi (attr store1 < 4.199 and attr store1 > 4.099 ) ((attr store1 < 4.346 and attr store1 > 4.286 ) and (bondedto (attr store1 < 112.443722631 and attr store1 > 111.643722631 ) or bondedto (attr store1 < 64.701 and attr store1 > 63.901 ) or bondedto (attr store1 < 16.9582773688 and attr store1 > 16.1582773688 ))) 6 0.1 0.1 peak 1578 volume 14.75786 ppm1 4.316 ppm2 4.149 ! ############### C13_CNnoesy_manual.1579 folded + assi (attr store1 < 2.444 and attr store1 > 2.344 ) ((attr store1 < 4.35 and attr store1 > 4.29 ) and (bondedto (attr store1 < 112.440722631 and attr store1 > 111.640722631 ) or bondedto (attr store1 < 64.698 and attr store1 > 63.898 ) or bondedto (attr store1 < 16.9552773688 and attr store1 > 16.1552773688 ))) 6 0.1 0.1 peak 1579 volume 78.43537 ppm1 4.320 ppm2 2.394 ! ############### C13_CNnoesy_manual.1580 folded + assi (attr store1 < 2.065 and attr store1 > 1.965 ) ((attr store1 < 4.35 and attr store1 > 4.29 ) and (bondedto (attr store1 < 112.440722631 and attr store1 > 111.640722631 ) or bondedto (attr store1 < 64.698 and attr store1 > 63.898 ) or bondedto (attr store1 < 16.9552773688 and attr store1 > 16.1552773688 ))) 6 0.1 0.1 peak 1580 volume 41.74986 ppm1 4.320 ppm2 2.015 ! ############### C13_CNnoesy_manual.1581 folded + assi (attr store1 < 0.793 and attr store1 > 0.693 ) ((attr store1 < 4.346 and attr store1 > 4.286 ) and (bondedto (attr store1 < 112.498722631 and attr store1 > 111.698722631 ) or bondedto (attr store1 < 64.756 and attr store1 > 63.956 ) or bondedto (attr store1 < 17.0132773688 and attr store1 > 16.2132773688 ))) 6 0.1 0.1 peak 1581 volume 6.78722 ppm1 4.316 ppm2 0.743 ! ############### C13_CNnoesy_manual.1582 folded + assi (attr store1 < 7.539 and attr store1 > 7.439 ) ((attr store1 < 4.087 and attr store1 > 4.027 ) and (bondedto (attr store1 < 112.453722631 and attr store1 > 111.653722631 ) or bondedto (attr store1 < 64.711 and attr store1 > 63.911 ) or bondedto (attr store1 < 16.9682773688 and attr store1 > 16.1682773688 ))) 6 0.1 0.1 peak 1582 volume 22.30210 ppm1 4.057 ppm2 7.489 ! ############### C13_CNnoesy_manual.1583 folded + assi (attr store1 < 8.65 and attr store1 > 8.55 ) ((attr store1 < 4.35 and attr store1 > 4.29 ) and (bondedto (attr store1 < 112.420722631 and attr store1 > 111.620722631 ) or bondedto (attr store1 < 64.678 and attr store1 > 63.878 ) or bondedto (attr store1 < 16.9352773688 and attr store1 > 16.1352773688 ))) 6 0.1 0.1 peak 1583 volume 15.87975 ppm1 4.320 ppm2 8.600 ! ############### C13_CNnoesy_manual.1584 folded + assi (attr store1 < 3.853 and attr store1 > 3.753 ) ((attr store1 < 4.35 and attr store1 > 4.29 ) and (bondedto (attr store1 < 112.399722631 and attr store1 > 111.599722631 ) or bondedto (attr store1 < 64.657 and attr store1 > 63.857 ) or bondedto (attr store1 < 16.9142773688 and attr store1 > 16.1142773688 ))) 6 0.1 0.1 peak 1584 volume 8.40289 ppm1 4.320 ppm2 3.803 ! ############### C13_CNnoesy_manual.1585 folded + assi (attr store1 < 4.553 and attr store1 > 4.453 ) ((attr store1 < 4.088 and attr store1 > 4.028 ) and (bondedto (attr store1 < 112.421722631 and attr store1 > 111.621722631 ) or bondedto (attr store1 < 64.679 and attr store1 > 63.879 ) or bondedto (attr store1 < 16.9362773688 and attr store1 > 16.1362773688 ))) 6 0.1 0.1 peak 1585 volume 70.39383 ppm1 4.058 ppm2 4.503 ! ############### C13_CNnoesy_manual.1586 folded - assi (attr store1 < 4.144 and attr store1 > 4.044 ) ((attr store1 < 1.795 and attr store1 > 1.735 ) and (bondedto (attr store1 < 136.202083947 and attr store1 > 135.402083947 ) or bondedto (attr store1 < 40.7166386844 and attr store1 > 39.9166386844 ))) 6 0.1 0.1 peak 1586 volume 10.89516 ppm1 1.765 ppm2 4.094 ! ############### C13_CNnoesy_manual.1587 folded + assi (attr store1 < 8.119 and attr store1 > 8.019 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 112.266722631 and attr store1 > 111.466722631 ) or bondedto (attr store1 < 64.524 and attr store1 > 63.724 ) or bondedto (attr store1 < 16.7812773688 and attr store1 > 15.9812773688 ))) 6 0.1 0.1 peak 1587 volume 41.17141 ppm1 4.132 ppm2 8.069 ! ############### C13_CNnoesy_manual.1588 folded + assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 112.315722631 and attr store1 > 111.515722631 ) or bondedto (attr store1 < 64.573 and attr store1 > 63.773 ) or bondedto (attr store1 < 16.8302773688 and attr store1 > 16.0302773688 ))) 6 0.1 0.1 peak 1588 volume 77.07022 ppm1 4.132 ppm2 4.837 ! ############### C13_CNnoesy_manual.1589 folded + assi (attr store1 < 4.599 and attr store1 > 4.499 ) ((attr store1 < 4.163 and attr store1 > 4.103 ) and (bondedto (attr store1 < 112.280722631 and attr store1 > 111.480722631 ) or bondedto (attr store1 < 64.538 and attr store1 > 63.738 ) or bondedto (attr store1 < 16.7952773688 and attr store1 > 15.9952773688 ))) 6 0.1 0.1 peak 1589 volume 145.99709 ppm1 4.133 ppm2 4.549 ! ############### C13_CNnoesy_manual.1590 folded + assi (attr store1 < 4.181 and attr store1 > 4.081 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 112.307722631 and attr store1 > 111.507722631 ) or bondedto (attr store1 < 64.565 and attr store1 > 63.765 ) or bondedto (attr store1 < 16.8222773688 and attr store1 > 16.0222773688 ))) 6 0.1 0.1 peak 1590 volume 2165.68091 ppm1 4.132 ppm2 4.131 ! ############### C13_CNnoesy_manual.1591 folded + assi (attr store1 < 3.895 and attr store1 > 3.795 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 112.295722631 and attr store1 > 111.495722631 ) or bondedto (attr store1 < 64.553 and attr store1 > 63.753 ) or bondedto (attr store1 < 16.8102773688 and attr store1 > 16.0102773688 ))) 6 0.1 0.1 peak 1591 volume 30.70110 ppm1 4.132 ppm2 3.845 ! ############### C13_CNnoesy_manual.1592 folded + assi (attr store1 < 2.261 and attr store1 > 2.161 ) ((attr store1 < 4.161 and attr store1 > 4.101 ) and (bondedto (attr store1 < 112.276722631 and attr store1 > 111.476722631 ) or bondedto (attr store1 < 64.534 and attr store1 > 63.734 ) or bondedto (attr store1 < 16.7912773688 and attr store1 > 15.9912773688 ))) 6 0.1 0.1 peak 1592 volume 10.77007 ppm1 4.131 ppm2 2.211 ! ############### C13_CNnoesy_manual.1593 folded + assi (attr store1 < 1.074 and attr store1 > 0.974 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 112.274722631 and attr store1 > 111.474722631 ) or bondedto (attr store1 < 64.532 and attr store1 > 63.732 ) or bondedto (attr store1 < 16.7892773688 and attr store1 > 15.9892773688 ))) 6 0.1 0.1 peak 1593 volume 11.26692 ppm1 4.132 ppm2 1.024 ! ############### C13_CNnoesy_manual.1594 folded - assi (attr store1 < 3.152 and attr store1 > 3.052 ) ((attr store1 < 3.131 and attr store1 > 3.071 ) and (bondedto (attr store1 < 136.170083947 and attr store1 > 135.370083947 ) or bondedto (attr store1 < 40.6846386844 and attr store1 > 39.8846386844 ))) 6 0.1 0.1 peak 1594 volume 106.92201 ppm1 3.101 ppm2 3.102 ! ############### C13_CNnoesy_manual.1595 folded - assi (attr store1 < 5.06 and attr store1 > 4.96 ) ((attr store1 < 3.126 and attr store1 > 3.066 ) and (bondedto (attr store1 < 136.112083947 and attr store1 > 135.312083947 ) or bondedto (attr store1 < 40.6266386844 and attr store1 > 39.8266386844 ))) 6 0.1 0.1 peak 1595 volume 16.43491 ppm1 3.096 ppm2 5.010 ! ############### C13_CNnoesy_manual.1596 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 3.124 and attr store1 > 3.064 ) and (bondedto (attr store1 < 136.152083947 and attr store1 > 135.352083947 ) or bondedto (attr store1 < 40.6666386844 and attr store1 > 39.8666386844 ))) 6 0.1 0.1 peak 1596 volume 13.80075 ppm1 3.094 ppm2 4.839 ! ############### C13_CNnoesy_manual.1597 folded - assi (attr store1 < 2.857 and attr store1 > 2.757 ) ((attr store1 < 3.121 and attr store1 > 3.061 ) and (bondedto (attr store1 < 136.118083947 and attr store1 > 135.318083947 ) or bondedto (attr store1 < 40.6326386844 and attr store1 > 39.8326386844 ))) 6 0.1 0.1 peak 1597 volume 12.81602 ppm1 3.091 ppm2 2.807 ! ############### C13_CNnoesy_manual.1598 folded - assi (attr store1 < 2.5 and attr store1 > 2.4 ) ((attr store1 < 3.12 and attr store1 > 3.06 ) and (bondedto (attr store1 < 136.149083947 and attr store1 > 135.349083947 ) or bondedto (attr store1 < 40.6636386844 and attr store1 > 39.8636386844 ))) 6 0.1 0.1 peak 1598 volume 5.91505 ppm1 3.090 ppm2 2.450 ! ############### C13_CNnoesy_manual.1599 folded - assi (attr store1 < 1.192 and attr store1 > 1.092 ) ((attr store1 < 3.126 and attr store1 > 3.066 ) and (bondedto (attr store1 < 136.118083947 and attr store1 > 135.318083947 ) or bondedto (attr store1 < 40.6326386844 and attr store1 > 39.8326386844 ))) 6 0.1 0.1 peak 1599 volume 6.64144 ppm1 3.096 ppm2 1.142 ! ############### C13_CNnoesy_manual.1600 folded - assi (attr store1 < 8.334 and attr store1 > 8.234 ) ((attr store1 < 2.664 and attr store1 > 2.604 ) and (bondedto (attr store1 < 136.143083947 and attr store1 > 135.343083947 ) or bondedto (attr store1 < 40.6576386844 and attr store1 > 39.8576386844 ))) 6 0.1 0.1 peak 1600 volume 8.453 ppm1 2.634 ppm2 8.284 ! ############### C13_CNnoesy_manual.1601 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 2.661 and attr store1 > 2.601 ) and (bondedto (attr store1 < 136.130083947 and attr store1 > 135.330083947 ) or bondedto (attr store1 < 40.6446386844 and attr store1 > 39.8446386844 ))) 6 0.1 0.1 peak 1601 volume 12.81936 ppm1 2.631 ppm2 4.839 ! ############### C13_CNnoesy_manual.1602 folded - assi (attr store1 < 9.262 and attr store1 > 9.162 ) ((attr store1 < 1.795 and attr store1 > 1.735 ) and (bondedto (attr store1 < 136.190083947 and attr store1 > 135.390083947 ) or bondedto (attr store1 < 40.7046386844 and attr store1 > 39.9046386844 ))) 6 0.1 0.1 peak 1602 volume 21.18045 ppm1 1.765 ppm2 9.212 ! ############### C13_CNnoesy_manual.1603 folded - assi (attr store1 < 7.367 and attr store1 > 7.267 ) ((attr store1 < 1.794 and attr store1 > 1.734 ) and (bondedto (attr store1 < 136.170083947 and attr store1 > 135.370083947 ) or bondedto (attr store1 < 40.6846386844 and attr store1 > 39.8846386844 ))) 6 0.1 0.1 peak 1603 volume 23.649 ppm1 1.764 ppm2 7.317 ! ############### C13_CNnoesy_manual.1604 folded - assi (attr store1 < 2.477 and attr store1 > 2.377 ) ((attr store1 < 1.798 and attr store1 > 1.738 ) and (bondedto (attr store1 < 136.114083947 and attr store1 > 135.314083947 ) or bondedto (attr store1 < 40.6286386844 and attr store1 > 39.8286386844 ))) 6 0.1 0.1 peak 1604 volume 6.96063 ppm1 1.768 ppm2 2.427 ! ############### C13_CNnoesy_manual.1605 folded - assi (attr store1 < 1.811 and attr store1 > 1.711 ) ((attr store1 < 1.799 and attr store1 > 1.739 ) and (bondedto (attr store1 < 136.174083947 and attr store1 > 135.374083947 ) or bondedto (attr store1 < 40.6886386844 and attr store1 > 39.8886386844 ))) 6 0.1 0.1 peak 1605 volume 175.07941 ppm1 1.769 ppm2 1.761 ! ############### C13_CNnoesy_manual.1606 folded - assi (attr store1 < 1.44 and attr store1 > 1.34 ) ((attr store1 < 1.79 and attr store1 > 1.73 ) and (bondedto (attr store1 < 136.124083947 and attr store1 > 135.324083947 ) or bondedto (attr store1 < 40.6386386844 and attr store1 > 39.8386386844 ))) 6 0.1 0.1 peak 1606 volume 10.83349 ppm1 1.760 ppm2 1.390 ! ############### C13_CNnoesy_manual.1607 folded - assi (attr store1 < 0.977 and attr store1 > 0.877 ) ((attr store1 < 1.793 and attr store1 > 1.733 ) and (bondedto (attr store1 < 136.176083947 and attr store1 > 135.376083947 ) or bondedto (attr store1 < 40.6906386844 and attr store1 > 39.8906386844 ))) 6 0.1 0.1 peak 1607 volume 89.14364 ppm1 1.763 ppm2 0.927 ! ############### C13_CNnoesy_manual.1608 folded - assi (attr store1 < 0.689 and attr store1 > 0.589 ) ((attr store1 < 1.797 and attr store1 > 1.737 ) and (bondedto (attr store1 < 136.177083947 and attr store1 > 135.377083947 ) or bondedto (attr store1 < 40.6916386844 and attr store1 > 39.8916386844 ))) 6 0.1 0.1 peak 1608 volume 14.27218 ppm1 1.767 ppm2 0.639 ! ############### C13_CNnoesy_manual.1609 folded - assi (attr store1 < 8.329 and attr store1 > 8.229 ) ((attr store1 < 3.134 and attr store1 > 3.074 ) and (bondedto (attr store1 < 136.101083947 and attr store1 > 135.301083947 ) or bondedto (attr store1 < 40.6156386844 and attr store1 > 39.8156386844 ))) 6 0.1 0.1 peak 1609 volume 6.29778 ppm1 3.104 ppm2 8.279 ! ############### C13_CNnoesy_manual.1610 folded - assi (attr store1 < 7.095 and attr store1 > 6.995 ) ((attr store1 < 3.125 and attr store1 > 3.065 ) and (bondedto (attr store1 < 136.055083947 and attr store1 > 135.255083947 ) or bondedto (attr store1 < 40.5696386844 and attr store1 > 39.7696386844 ))) 6 0.1 0.1 peak 1610 volume 12.28645 ppm1 3.095 ppm2 7.045 ! ############### C13_CNnoesy_manual.1611 folded - assi (attr store1 < 3.422 and attr store1 > 3.322 ) ((attr store1 < 3.125 and attr store1 > 3.065 ) and (bondedto (attr store1 < 136.076083947 and attr store1 > 135.276083947 ) or bondedto (attr store1 < 40.5906386844 and attr store1 > 39.7906386844 ))) 6 0.1 0.1 peak 1611 volume 15.98256 ppm1 3.095 ppm2 3.372 ! ############### C13_CNnoesy_manual.1612 folded - assi (attr store1 < 2.681 and attr store1 > 2.581 ) ((attr store1 < 3.128 and attr store1 > 3.068 ) and (bondedto (attr store1 < 136.098083947 and attr store1 > 135.298083947 ) or bondedto (attr store1 < 40.6126386844 and attr store1 > 39.8126386844 ))) 6 0.1 0.1 peak 1612 volume 143.78577 ppm1 3.098 ppm2 2.631 ! ############### C13_CNnoesy_manual.1613 folded - assi (attr store1 < 2.7 and attr store1 > 2.6 ) ((attr store1 < 2.751 and attr store1 > 2.691 ) and (bondedto (attr store1 < 136.091083947 and attr store1 > 135.291083947 ) or bondedto (attr store1 < 40.6056386844 and attr store1 > 39.8056386844 ))) 6 0.1 0.1 peak 1613 volume 6.72367 ppm1 2.721 ppm2 2.650 ! ############### C13_CNnoesy_manual.1614 folded - assi (attr store1 < 7.087 and attr store1 > 6.987 ) ((attr store1 < 2.662 and attr store1 > 2.602 ) and (bondedto (attr store1 < 136.078083947 and attr store1 > 135.278083947 ) or bondedto (attr store1 < 40.5926386844 and attr store1 > 39.7926386844 ))) 6 0.1 0.1 peak 1614 volume 9.80368 ppm1 2.632 ppm2 7.037 ! ############### C13_CNnoesy_manual.1615 folded - assi (attr store1 < 5.062 and attr store1 > 4.962 ) ((attr store1 < 2.663 and attr store1 > 2.603 ) and (bondedto (attr store1 < 136.095083947 and attr store1 > 135.295083947 ) or bondedto (attr store1 < 40.6096386844 and attr store1 > 39.8096386844 ))) 6 0.1 0.1 peak 1615 volume 25.2835 ppm1 2.633 ppm2 5.012 ! ############### C13_CNnoesy_manual.1616 folded - assi (attr store1 < 3.428 and attr store1 > 3.328 ) ((attr store1 < 2.664 and attr store1 > 2.604 ) and (bondedto (attr store1 < 136.065083947 and attr store1 > 135.265083947 ) or bondedto (attr store1 < 40.5796386844 and attr store1 > 39.7796386844 ))) 6 0.1 0.1 peak 1616 volume 10.9715 ppm1 2.634 ppm2 3.378 ! ############### C13_CNnoesy_manual.1617 folded - assi (attr store1 < 3.147 and attr store1 > 3.047 ) ((attr store1 < 2.663 and attr store1 > 2.603 ) and (bondedto (attr store1 < 136.096083947 and attr store1 > 135.296083947 ) or bondedto (attr store1 < 40.6106386844 and attr store1 > 39.8106386844 ))) 6 0.1 0.1 peak 1617 volume 157.07268 ppm1 2.633 ppm2 3.097 ! ############### C13_CNnoesy_manual.1618 folded - assi (attr store1 < 2.681 and attr store1 > 2.581 ) ((attr store1 < 2.664 and attr store1 > 2.604 ) and (bondedto (attr store1 < 136.101083947 and attr store1 > 135.301083947 ) or bondedto (attr store1 < 40.6156386844 and attr store1 > 39.8156386844 ))) 6 0.1 0.1 peak 1618 volume 227.97739 ppm1 2.634 ppm2 2.631 ! ############### C13_CNnoesy_manual.1619 folded + assi (attr store1 < 4.042 and attr store1 > 3.942 ) ((attr store1 < 4.051 and attr store1 > 3.991 ) and (bondedto (attr store1 < 112.062722631 and attr store1 > 111.262722631 ) or bondedto (attr store1 < 64.32 and attr store1 > 63.52 ) or bondedto (attr store1 < 16.5772773688 and attr store1 > 15.7772773688 ))) 6 0.1 0.1 peak 1619 volume 4740.88916 ppm1 4.021 ppm2 3.992 ! ############### C13_CNnoesy_manual.1620 folded + assi (attr store1 < 4.591 and attr store1 > 4.491 ) ((attr store1 < 3.999 and attr store1 > 3.939 ) and (bondedto (attr store1 < 112.089722631 and attr store1 > 111.289722631 ) or bondedto (attr store1 < 64.347 and attr store1 > 63.547 ) or bondedto (attr store1 < 16.6042773688 and attr store1 > 15.8042773688 ))) 6 0.1 0.1 peak 1620 volume 37.02309 ppm1 3.969 ppm2 4.541 ! ############### C13_CNnoesy_manual.1621 folded + assi (attr store1 < 4.052 and attr store1 > 3.952 ) ((attr store1 < 4.001 and attr store1 > 3.941 ) and (bondedto (attr store1 < 112.055722631 and attr store1 > 111.255722631 ) or bondedto (attr store1 < 64.313 and attr store1 > 63.513 ) or bondedto (attr store1 < 16.5702773688 and attr store1 > 15.7702773688 ))) 6 0.1 0.1 peak 1621 volume 5314.24219 ppm1 3.971 ppm2 4.002 ! ############### C13_CNnoesy_manual.1622 folded + assi (attr store1 < 3.859 and attr store1 > 3.759 ) ((attr store1 < 3.987 and attr store1 > 3.927 ) and (bondedto (attr store1 < 112.099722631 and attr store1 > 111.299722631 ) or bondedto (attr store1 < 64.357 and attr store1 > 63.557 ) or bondedto (attr store1 < 16.6142773688 and attr store1 > 15.8142773688 ))) 6 0.1 0.1 peak 1622 volume 30.09402 ppm1 3.957 ppm2 3.809 ! ############### C13_CNnoesy_manual.1623 folded - assi (attr store1 < 7.658 and attr store1 > 7.558 ) ((attr store1 < 3.662 and attr store1 > 3.602 ) and (bondedto (attr store1 < 135.828083947 and attr store1 > 135.028083947 ) or bondedto (attr store1 < 40.3426386844 and attr store1 > 39.5426386844 ))) 6 0.1 0.1 peak 1623 volume 36.86614 ppm1 3.632 ppm2 7.608 ! ############### C13_CNnoesy_manual.1624 folded - assi (attr store1 < 4.917 and attr store1 > 4.817 ) ((attr store1 < 3.038 and attr store1 > 2.978 ) and (bondedto (attr store1 < 135.839083947 and attr store1 > 135.039083947 ) or bondedto (attr store1 < 40.3536386844 and attr store1 > 39.5536386844 ))) 6 0.1 0.1 peak 1624 volume 19.36966 ppm1 3.008 ppm2 4.867 ! ############### C13_CNnoesy_manual.1625 folded - assi (attr store1 < 0.919 and attr store1 > 0.819 ) ((attr store1 < 3.038 and attr store1 > 2.978 ) and (bondedto (attr store1 < 135.845083947 and attr store1 > 135.045083947 ) or bondedto (attr store1 < 40.3596386844 and attr store1 > 39.5596386844 ))) 6 0.1 0.1 peak 1625 volume 6.89396 ppm1 3.008 ppm2 0.869 ! ############### C13_CNnoesy_manual.1626 folded - assi (attr store1 < 0.826 and attr store1 > 0.726 ) ((attr store1 < 3.034 and attr store1 > 2.974 ) and (bondedto (attr store1 < 135.844083947 and attr store1 > 135.044083947 ) or bondedto (attr store1 < 40.3586386844 and attr store1 > 39.5586386844 ))) 6 0.1 0.1 peak 1626 volume 10.27901 ppm1 3.004 ppm2 0.776 ! ############### C13_CNnoesy_manual.1627 folded - assi (attr store1 < 4.874 and attr store1 > 4.774 ) ((attr store1 < 4.232 and attr store1 > 4.172 ) and (bondedto (attr store1 < 135.780083947 and attr store1 > 134.980083947 ) or bondedto (attr store1 < 40.2946386844 and attr store1 > 39.4946386844 ))) 6 0.1 0.1 peak 1627 volume 9.07835 ppm1 4.202 ppm2 4.824 ! ############### C13_CNnoesy_manual.1628 folded - assi (attr store1 < 3.682 and attr store1 > 3.582 ) ((attr store1 < 3.664 and attr store1 > 3.604 ) and (bondedto (attr store1 < 135.797083947 and attr store1 > 134.997083947 ) or bondedto (attr store1 < 40.3116386844 and attr store1 > 39.5116386844 ))) 6 0.1 0.1 peak 1628 volume 113.4707 ppm1 3.634 ppm2 3.632 ! ############### C13_CNnoesy_manual.1629 folded - assi (attr store1 < 7.476 and attr store1 > 7.376 ) ((attr store1 < 3.661 and attr store1 > 3.601 ) and (bondedto (attr store1 < 135.795083947 and attr store1 > 134.995083947 ) or bondedto (attr store1 < 40.3096386844 and attr store1 > 39.5096386844 ))) 6 0.1 0.1 peak 1629 volume 7.38379 ppm1 3.631 ppm2 7.426 ! ############### C13_CNnoesy_manual.1630 folded - assi (attr store1 < 4.925 and attr store1 > 4.825 ) ((attr store1 < 3.661 and attr store1 > 3.601 ) and (bondedto (attr store1 < 135.801083947 and attr store1 > 135.001083947 ) or bondedto (attr store1 < 40.3156386844 and attr store1 > 39.5156386844 ))) 6 0.1 0.1 peak 1630 volume 21.49631 ppm1 3.631 ppm2 4.875 ! ############### C13_CNnoesy_manual.1631 folded - assi (attr store1 < 3.056 and attr store1 > 2.956 ) ((attr store1 < 3.662 and attr store1 > 3.602 ) and (bondedto (attr store1 < 135.810083947 and attr store1 > 135.010083947 ) or bondedto (attr store1 < 40.3246386844 and attr store1 > 39.5246386844 ))) 6 0.1 0.1 peak 1631 volume 89.63058 ppm1 3.632 ppm2 3.006 ! ############### C13_CNnoesy_manual.1632 folded - assi (attr store1 < 0.816 and attr store1 > 0.716 ) ((attr store1 < 3.663 and attr store1 > 3.603 ) and (bondedto (attr store1 < 135.796083947 and attr store1 > 134.996083947 ) or bondedto (attr store1 < 40.3106386844 and attr store1 > 39.5106386844 ))) 6 0.1 0.1 peak 1632 volume 12.9302 ppm1 3.633 ppm2 0.766 ! ############### C13_CNnoesy_manual.1633 folded - assi (attr store1 < 0.132 and attr store1 > 0.032 ) ((attr store1 < 3.657 and attr store1 > 3.597 ) and (bondedto (attr store1 < 135.822083947 and attr store1 > 135.022083947 ) or bondedto (attr store1 < 40.3366386844 and attr store1 > 39.5366386844 ))) 6 0.1 0.1 peak 1633 volume 7.1753 ppm1 3.627 ppm2 0.082 ! ############### C13_CNnoesy_manual.1634 folded - assi (attr store1 < 4.139 and attr store1 > 4.039 ) ((attr store1 < 3.039 and attr store1 > 2.979 ) and (bondedto (attr store1 < 135.801083947 and attr store1 > 135.001083947 ) or bondedto (attr store1 < 40.3156386844 and attr store1 > 39.5156386844 ))) 6 0.1 0.1 peak 1634 volume 11.45624 ppm1 3.009 ppm2 4.089 ! ############### C13_CNnoesy_manual.1635 folded - assi (attr store1 < 7.678 and attr store1 > 7.578 ) ((attr store1 < 3.035 and attr store1 > 2.975 ) and (bondedto (attr store1 < 135.813083947 and attr store1 > 135.013083947 ) or bondedto (attr store1 < 40.3276386844 and attr store1 > 39.5276386844 ))) 6 0.1 0.1 peak 1635 volume 36.32918 ppm1 3.005 ppm2 7.628 ! ############### C13_CNnoesy_manual.1636 folded - assi (attr store1 < 7.48 and attr store1 > 7.38 ) ((attr store1 < 3.034 and attr store1 > 2.974 ) and (bondedto (attr store1 < 135.792083947 and attr store1 > 134.992083947 ) or bondedto (attr store1 < 40.3066386844 and attr store1 > 39.5066386844 ))) 6 0.1 0.1 peak 1636 volume 9.4761 ppm1 3.004 ppm2 7.430 ! ############### C13_CNnoesy_manual.1637 folded - assi (attr store1 < 3.683 and attr store1 > 3.583 ) ((attr store1 < 3.036 and attr store1 > 2.976 ) and (bondedto (attr store1 < 135.806083947 and attr store1 > 135.006083947 ) or bondedto (attr store1 < 40.3206386844 and attr store1 > 39.5206386844 ))) 6 0.1 0.1 peak 1637 volume 91.00335 ppm1 3.006 ppm2 3.633 ! ############### C13_CNnoesy_manual.1638 folded + assi (attr store1 < 8.725 and attr store1 > 8.625 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 111.807722631 and attr store1 > 111.007722631 ) or bondedto (attr store1 < 64.065 and attr store1 > 63.265 ) or bondedto (attr store1 < 16.3222773688 and attr store1 > 15.5222773688 ))) 6 0.1 0.1 peak 1638 volume 9.89923 ppm1 1.334 ppm2 8.675 ! ############### C13_CNnoesy_manual.1639 folded + assi (attr store1 < 8.461 and attr store1 > 8.361 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 111.800722631 and attr store1 > 111.000722631 ) or bondedto (attr store1 < 64.058 and attr store1 > 63.258 ) or bondedto (attr store1 < 16.3152773688 and attr store1 > 15.5152773688 ))) 6 0.1 0.1 peak 1639 volume 9.15509 ppm1 1.334 ppm2 8.411 ! ############### C13_CNnoesy_manual.1640 folded + assi (attr store1 < 8.305 and attr store1 > 8.205 ) ((attr store1 < 1.365 and attr store1 > 1.305 ) and (bondedto (attr store1 < 111.819722631 and attr store1 > 111.019722631 ) or bondedto (attr store1 < 64.077 and attr store1 > 63.277 ) or bondedto (attr store1 < 16.3342773688 and attr store1 > 15.5342773688 ))) 6 0.1 0.1 peak 1640 volume 12.26348 ppm1 1.335 ppm2 8.255 ! ############### C13_CNnoesy_manual.1641 folded + assi (attr store1 < 8.056 and attr store1 > 7.956 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 111.817722631 and attr store1 > 111.017722631 ) or bondedto (attr store1 < 64.075 and attr store1 > 63.275 ) or bondedto (attr store1 < 16.3322773688 and attr store1 > 15.5322773688 ))) 6 0.1 0.1 peak 1641 volume 12.12338 ppm1 1.334 ppm2 8.006 ! ############### C13_CNnoesy_manual.1642 folded + assi (attr store1 < 7.773 and attr store1 > 7.673 ) ((attr store1 < 1.365 and attr store1 > 1.305 ) and (bondedto (attr store1 < 111.807722631 and attr store1 > 111.007722631 ) or bondedto (attr store1 < 64.065 and attr store1 > 63.265 ) or bondedto (attr store1 < 16.3222773688 and attr store1 > 15.5222773688 ))) 6 0.1 0.1 peak 1642 volume 13.77258 ppm1 1.335 ppm2 7.723 ! ############### C13_CNnoesy_manual.1643 folded + assi (attr store1 < 7.309 and attr store1 > 7.209 ) ((attr store1 < 1.365 and attr store1 > 1.305 ) and (bondedto (attr store1 < 111.810722631 and attr store1 > 111.010722631 ) or bondedto (attr store1 < 64.068 and attr store1 > 63.268 ) or bondedto (attr store1 < 16.3252773688 and attr store1 > 15.5252773688 ))) 6 0.1 0.1 peak 1643 volume 24.50156 ppm1 1.335 ppm2 7.259 ! ############### C13_CNnoesy_manual.1644 folded + assi (attr store1 < 6.793 and attr store1 > 6.693 ) ((attr store1 < 1.365 and attr store1 > 1.305 ) and (bondedto (attr store1 < 111.814722631 and attr store1 > 111.014722631 ) or bondedto (attr store1 < 64.072 and attr store1 > 63.272 ) or bondedto (attr store1 < 16.3292773688 and attr store1 > 15.5292773688 ))) 6 0.1 0.1 peak 1644 volume 27.32999 ppm1 1.335 ppm2 6.743 ! ############### C13_CNnoesy_manual.1645 folded + assi (attr store1 < 4.886 and attr store1 > 4.786 ) ((attr store1 < 1.362 and attr store1 > 1.302 ) and (bondedto (attr store1 < 111.829722631 and attr store1 > 111.029722631 ) or bondedto (attr store1 < 64.087 and attr store1 > 63.287 ) or bondedto (attr store1 < 16.3442773688 and attr store1 > 15.5442773688 ))) 6 0.1 0.1 peak 1645 volume 14.81980 ppm1 1.332 ppm2 4.836 ! ############### C13_CNnoesy_manual.1646 folded + assi (attr store1 < 4.612 and attr store1 > 4.512 ) ((attr store1 < 1.363 and attr store1 > 1.303 ) and (bondedto (attr store1 < 111.804722631 and attr store1 > 111.004722631 ) or bondedto (attr store1 < 64.062 and attr store1 > 63.262 ) or bondedto (attr store1 < 16.3192773688 and attr store1 > 15.5192773688 ))) 6 0.1 0.1 peak 1646 volume 27.21535 ppm1 1.333 ppm2 4.562 ! ############### C13_CNnoesy_manual.1647 folded + assi (attr store1 < 4.267 and attr store1 > 4.167 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 111.827722631 and attr store1 > 111.027722631 ) or bondedto (attr store1 < 64.085 and attr store1 > 63.285 ) or bondedto (attr store1 < 16.3422773688 and attr store1 > 15.5422773688 ))) 6 0.1 0.1 peak 1647 volume 64.04650 ppm1 1.334 ppm2 4.217 ! ############### C13_CNnoesy_manual.1648 folded + assi (attr store1 < 4.078 and attr store1 > 3.978 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 111.799722631 and attr store1 > 110.999722631 ) or bondedto (attr store1 < 64.057 and attr store1 > 63.257 ) or bondedto (attr store1 < 16.3142773688 and attr store1 > 15.5142773688 ))) 6 0.1 0.1 peak 1648 volume 17.40559 ppm1 1.334 ppm2 4.028 ! ############### C13_CNnoesy_manual.1649 folded + assi (attr store1 < 3.92 and attr store1 > 3.82 ) ((attr store1 < 1.366 and attr store1 > 1.306 ) and (bondedto (attr store1 < 111.802722631 and attr store1 > 111.002722631 ) or bondedto (attr store1 < 64.06 and attr store1 > 63.26 ) or bondedto (attr store1 < 16.3172773688 and attr store1 > 15.5172773688 ))) 6 0.1 0.1 peak 1649 volume 9.36459 ppm1 1.336 ppm2 3.870 ! ############### C13_CNnoesy_manual.1650 folded + assi (attr store1 < 2.643 and attr store1 > 2.543 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 111.793722631 and attr store1 > 110.993722631 ) or bondedto (attr store1 < 64.051 and attr store1 > 63.251 ) or bondedto (attr store1 < 16.3082773688 and attr store1 > 15.5082773688 ))) 6 0.1 0.1 peak 1650 volume 41.63393 ppm1 1.334 ppm2 2.593 ! ############### C13_CNnoesy_manual.1651 folded + assi (attr store1 < 2.434 and attr store1 > 2.334 ) ((attr store1 < 1.363 and attr store1 > 1.303 ) and (bondedto (attr store1 < 111.804722631 and attr store1 > 111.004722631 ) or bondedto (attr store1 < 64.062 and attr store1 > 63.262 ) or bondedto (attr store1 < 16.3192773688 and attr store1 > 15.5192773688 ))) 6 0.1 0.1 peak 1651 volume 31.87061 ppm1 1.333 ppm2 2.384 ! ############### C13_CNnoesy_manual.1652 folded + assi (attr store1 < 2.2 and attr store1 > 2.1 ) ((attr store1 < 1.364 and attr store1 > 1.304 ) and (bondedto (attr store1 < 111.809722631 and attr store1 > 111.009722631 ) or bondedto (attr store1 < 64.067 and attr store1 > 63.267 ) or bondedto (attr store1 < 16.3242773688 and attr store1 > 15.5242773688 ))) 6 0.1 0.1 peak 1652 volume 76.22369 ppm1 1.334 ppm2 2.150 ! ############### C13_CNnoesy_manual.1653 folded + assi (attr store1 < 1.964 and attr store1 > 1.864 ) ((attr store1 < 1.363 and attr store1 > 1.303 ) and (bondedto (attr store1 < 111.801722631 and attr store1 > 111.001722631 ) or bondedto (attr store1 < 64.059 and attr store1 > 63.259 ) or bondedto (attr store1 < 16.3162773688 and attr store1 > 15.5162773688 ))) 6 0.1 0.1 peak 1653 volume 70.72723 ppm1 1.333 ppm2 1.914 ! ############### C13_CNnoesy_manual.1654 folded + assi (attr store1 < 1.56 and attr store1 > 1.46 ) ((attr store1 < 1.363 and attr store1 > 1.303 ) and (bondedto (attr store1 < 111.803722631 and attr store1 > 111.003722631 ) or bondedto (attr store1 < 64.061 and attr store1 > 63.261 ) or bondedto (attr store1 < 16.3182773688 and attr store1 > 15.5182773688 ))) 6 0.1 0.1 peak 1654 volume 168.59894 ppm1 1.333 ppm2 1.510 ! ############### C13_CNnoesy_manual.1655 folded + assi (attr store1 < 1.385 and attr store1 > 1.285 ) ((attr store1 < 1.365 and attr store1 > 1.305 ) and (bondedto (attr store1 < 111.798722631 and attr store1 > 110.998722631 ) or bondedto (attr store1 < 64.056 and attr store1 > 63.256 ) or bondedto (attr store1 < 16.3132773688 and attr store1 > 15.5132773688 ))) 6 0.1 0.1 peak 1655 volume 5276.92822 ppm1 1.335 ppm2 1.335 ! ############### C13_CNnoesy_manual.1656 folded + assi (attr store1 < 1.214 and attr store1 > 1.114 ) ((attr store1 < 1.362 and attr store1 > 1.302 ) and (bondedto (attr store1 < 111.807722631 and attr store1 > 111.007722631 ) or bondedto (attr store1 < 64.065 and attr store1 > 63.265 ) or bondedto (attr store1 < 16.3222773688 and attr store1 > 15.5222773688 ))) 6 0.1 0.1 peak 1656 volume 82.38540 ppm1 1.332 ppm2 1.164 ! ############### C13_CNnoesy_manual.1657 folded + assi (attr store1 < 1.105 and attr store1 > 1.005 ) ((attr store1 < 1.36 and attr store1 > 1.3 ) and (bondedto (attr store1 < 111.819722631 and attr store1 > 111.019722631 ) or bondedto (attr store1 < 64.077 and attr store1 > 63.277 ) or bondedto (attr store1 < 16.3342773688 and attr store1 > 15.5342773688 ))) 6 0.1 0.1 peak 1657 volume 34.54873 ppm1 1.330 ppm2 1.055 ! ############### C13_CNnoesy_manual.1658 folded + assi (attr store1 < 0.893 and attr store1 > 0.793 ) ((attr store1 < 1.363 and attr store1 > 1.303 ) and (bondedto (attr store1 < 111.798722631 and attr store1 > 110.998722631 ) or bondedto (attr store1 < 64.056 and attr store1 > 63.256 ) or bondedto (attr store1 < 16.3132773688 and attr store1 > 15.5132773688 ))) 6 0.1 0.1 peak 1658 volume 91.05222 ppm1 1.333 ppm2 0.843 ! ############### C13_CNnoesy_manual.1659 folded + assi (attr store1 < 4.616 and attr store1 > 4.516 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 111.591722631 and attr store1 > 110.791722631 ) or bondedto (attr store1 < 63.849 and attr store1 > 63.049 ) or bondedto (attr store1 < 16.1062773688 and attr store1 > 15.3062773688 ))) 6 0.1 0.1 peak 1659 volume 3830.55688 ppm1 4.566 ppm2 4.566 ! ############### C13_CNnoesy_manual.1660 folded + assi (attr store1 < 9.272 and attr store1 > 9.172 ) ((attr store1 < 4.127 and attr store1 > 4.067 ) and (bondedto (attr store1 < 111.448722631 and attr store1 > 110.648722631 ) or bondedto (attr store1 < 63.706 and attr store1 > 62.906 ) or bondedto (attr store1 < 15.9632773688 and attr store1 > 15.1632773688 ))) 6 0.1 0.1 peak 1660 volume 11.00755 ppm1 4.097 ppm2 9.222 ! ############### C13_CNnoesy_manual.1661 folded + assi (attr store1 < 7.361 and attr store1 > 7.261 ) ((attr store1 < 4.121 and attr store1 > 4.061 ) and (bondedto (attr store1 < 111.472722631 and attr store1 > 110.672722631 ) or bondedto (attr store1 < 63.73 and attr store1 > 62.93 ) or bondedto (attr store1 < 15.9872773688 and attr store1 > 15.1872773688 ))) 6 0.1 0.1 peak 1661 volume 21.01858 ppm1 4.091 ppm2 7.311 ! ############### C13_CNnoesy_manual.1662 folded + assi (attr store1 < 2.126 and attr store1 > 2.026 ) ((attr store1 < 4.125 and attr store1 > 4.065 ) and (bondedto (attr store1 < 111.405722631 and attr store1 > 110.605722631 ) or bondedto (attr store1 < 63.663 and attr store1 > 62.863 ) or bondedto (attr store1 < 15.9202773688 and attr store1 > 15.1202773688 ))) 6 0.1 0.1 peak 1662 volume 12.05796 ppm1 4.095 ppm2 2.076 ! ############### C13_CNnoesy_manual.1663 folded + assi (attr store1 < 1.08 and attr store1 > 0.98 ) ((attr store1 < 4.122 and attr store1 > 4.062 ) and (bondedto (attr store1 < 111.420722631 and attr store1 > 110.620722631 ) or bondedto (attr store1 < 63.678 and attr store1 > 62.878 ) or bondedto (attr store1 < 15.9352773688 and attr store1 > 15.1352773688 ))) 6 0.1 0.1 peak 1663 volume 83.42818 ppm1 4.092 ppm2 1.030 ! ############### C13_CNnoesy_manual.1664 folded + assi (attr store1 < 0.963 and attr store1 > 0.863 ) ((attr store1 < 4.123 and attr store1 > 4.063 ) and (bondedto (attr store1 < 111.430722631 and attr store1 > 110.630722631 ) or bondedto (attr store1 < 63.688 and attr store1 > 62.888 ) or bondedto (attr store1 < 15.9452773688 and attr store1 > 15.1452773688 ))) 6 0.1 0.1 peak 1664 volume 96.10784 ppm1 4.093 ppm2 0.913 ! ############### C13_CNnoesy_manual.1665 folded + assi (attr store1 < 7.072 and attr store1 > 6.972 ) ((attr store1 < 4.118 and attr store1 > 4.058 ) and (bondedto (attr store1 < 111.429722631 and attr store1 > 110.629722631 ) or bondedto (attr store1 < 63.687 and attr store1 > 62.887 ) or bondedto (attr store1 < 15.9442773688 and attr store1 > 15.1442773688 ))) 6 0.1 0.1 peak 1665 volume 8.11598 ppm1 4.088 ppm2 7.022 ! ############### C13_CNnoesy_manual.1666 folded + assi (attr store1 < 4.14 and attr store1 > 4.04 ) ((attr store1 < 1.794 and attr store1 > 1.734 ) and (bondedto (attr store1 < 111.439722631 and attr store1 > 110.639722631 ) or bondedto (attr store1 < 63.697 and attr store1 > 62.897 ) or bondedto (attr store1 < 15.9542773688 and attr store1 > 15.1542773688 ))) 6 0.1 0.1 peak 1666 volume 17.49507 ppm1 1.764 ppm2 4.090 ! ############### C13_CNnoesy_manual.1667 folded + assi (attr store1 < 2.18 and attr store1 > 2.08 ) ((attr store1 < 4.224 and attr store1 > 4.164 ) and (bondedto (attr store1 < 111.308722631 and attr store1 > 110.508722631 ) or bondedto (attr store1 < 63.566 and attr store1 > 62.766 ) or bondedto (attr store1 < 15.8232773688 and attr store1 > 15.0232773688 ))) 6 0.1 0.1 peak 1667 volume 8.70510 ppm1 4.194 ppm2 2.130 ! ############### C13_CNnoesy_manual.1668 folded + assi (attr store1 < 9.629 and attr store1 > 9.529 ) ((attr store1 < 4.223 and attr store1 > 4.163 ) and (bondedto (attr store1 < 111.349722631 and attr store1 > 110.549722631 ) or bondedto (attr store1 < 63.607 and attr store1 > 62.807 ) or bondedto (attr store1 < 15.8642773688 and attr store1 > 15.0642773688 ))) 6 0.1 0.1 peak 1668 volume 17.69731 ppm1 4.193 ppm2 9.579 ! ############### C13_CNnoesy_manual.1669 folded + assi (attr store1 < 9.298 and attr store1 > 9.198 ) ((attr store1 < 4.221 and attr store1 > 4.161 ) and (bondedto (attr store1 < 111.356722631 and attr store1 > 110.556722631 ) or bondedto (attr store1 < 63.614 and attr store1 > 62.814 ) or bondedto (attr store1 < 15.8712773688 and attr store1 > 15.0712773688 ))) 6 0.1 0.1 peak 1669 volume 85.49905 ppm1 4.191 ppm2 9.248 ! ############### C13_CNnoesy_manual.1670 folded + assi (attr store1 < 7.679 and attr store1 > 7.579 ) ((attr store1 < 4.221 and attr store1 > 4.161 ) and (bondedto (attr store1 < 111.358722631 and attr store1 > 110.558722631 ) or bondedto (attr store1 < 63.616 and attr store1 > 62.816 ) or bondedto (attr store1 < 15.8732773688 and attr store1 > 15.0732773688 ))) 6 0.1 0.1 peak 1670 volume 14.95452 ppm1 4.191 ppm2 7.629 ! ############### C13_CNnoesy_manual.1671 folded + assi (attr store1 < 2.314 and attr store1 > 2.214 ) ((attr store1 < 4.222 and attr store1 > 4.162 ) and (bondedto (attr store1 < 111.345722631 and attr store1 > 110.545722631 ) or bondedto (attr store1 < 63.603 and attr store1 > 62.803 ) or bondedto (attr store1 < 15.8602773688 and attr store1 > 15.0602773688 ))) 6 0.1 0.1 peak 1671 volume 10.83343 ppm1 4.192 ppm2 2.264 ! ############### C13_CNnoesy_manual.1672 folded + assi (attr store1 < 1.938 and attr store1 > 1.838 ) ((attr store1 < 4.22 and attr store1 > 4.16 ) and (bondedto (attr store1 < 111.353722631 and attr store1 > 110.553722631 ) or bondedto (attr store1 < 63.611 and attr store1 > 62.811 ) or bondedto (attr store1 < 15.8682773688 and attr store1 > 15.0682773688 ))) 6 0.1 0.1 peak 1672 volume 23.77171 ppm1 4.190 ppm2 1.888 ! ############### C13_CNnoesy_manual.1673 folded + assi (attr store1 < 0.941 and attr store1 > 0.841 ) ((attr store1 < 4.222 and attr store1 > 4.162 ) and (bondedto (attr store1 < 111.348722631 and attr store1 > 110.548722631 ) or bondedto (attr store1 < 63.606 and attr store1 > 62.806 ) or bondedto (attr store1 < 15.8632773688 and attr store1 > 15.0632773688 ))) 6 0.1 0.1 peak 1673 volume 103.37406 ppm1 4.192 ppm2 0.891 ! ############### C13_CNnoesy_manual.1674 folded + assi (attr store1 < 1.816 and attr store1 > 1.716 ) ((attr store1 < 4.125 and attr store1 > 4.065 ) and (bondedto (attr store1 < 111.378722631 and attr store1 > 110.578722631 ) or bondedto (attr store1 < 63.636 and attr store1 > 62.836 ) or bondedto (attr store1 < 15.8932773688 and attr store1 > 15.0932773688 ))) 6 0.1 0.1 peak 1674 volume 25.89870 ppm1 4.095 ppm2 1.766 ! ############### C13_CNnoesy_manual.1675 folded + assi (attr store1 < 4.261 and attr store1 > 4.161 ) ((attr store1 < 4.233 and attr store1 > 4.173 ) and (bondedto (attr store1 < 111.211722631 and attr store1 > 110.411722631 ) or bondedto (attr store1 < 63.469 and attr store1 > 62.669 ) or bondedto (attr store1 < 15.7262773688 and attr store1 > 14.9262773688 ))) 6 0.1 0.1 peak 1675 volume 615.82330 ppm1 4.203 ppm2 4.211 ! ############### C13_CNnoesy_manual.1676 folded + assi (attr store1 < 2.029 and attr store1 > 1.929 ) ((attr store1 < 4.117 and attr store1 > 4.057 ) and (bondedto (attr store1 < 111.277722631 and attr store1 > 110.477722631 ) or bondedto (attr store1 < 63.535 and attr store1 > 62.735 ) or bondedto (attr store1 < 15.7922773688 and attr store1 > 14.9922773688 ))) 6 0.1 0.1 peak 1676 volume 11.27007 ppm1 4.087 ppm2 1.979 ! ############### C13_CNnoesy_manual.1677 folded + assi (attr store1 < 8.32 and attr store1 > 8.22 ) ((attr store1 < 4.248 and attr store1 > 4.188 ) and (bondedto (attr store1 < 111.118722631 and attr store1 > 110.318722631 ) or bondedto (attr store1 < 63.376 and attr store1 > 62.576 ) or bondedto (attr store1 < 15.6332773688 and attr store1 > 14.8332773688 ))) 6 0.1 0.1 peak 1677 volume 20.75469 ppm1 4.218 ppm2 8.270 ! ############### C13_CNnoesy_manual.1678 folded + assi (attr store1 < 7.783 and attr store1 > 7.683 ) ((attr store1 < 4.245 and attr store1 > 4.185 ) and (bondedto (attr store1 < 111.137722631 and attr store1 > 110.337722631 ) or bondedto (attr store1 < 63.395 and attr store1 > 62.595 ) or bondedto (attr store1 < 15.6522773688 and attr store1 > 14.8522773688 ))) 6 0.1 0.1 peak 1678 volume 14.28917 ppm1 4.215 ppm2 7.733 ! ############### C13_CNnoesy_manual.1679 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 4.133 and attr store1 > 4.073 ) and (bondedto (attr store1 < 111.129722631 and attr store1 > 110.329722631 ) or bondedto (attr store1 < 63.387 and attr store1 > 62.587 ) or bondedto (attr store1 < 15.6442773688 and attr store1 > 14.8442773688 ))) 6 0.1 0.1 peak 1679 volume 50.71355 ppm1 4.103 ppm2 4.839 ! ############### C13_CNnoesy_manual.1680 folded + assi (attr store1 < 4.152 and attr store1 > 4.052 ) ((attr store1 < 4.128 and attr store1 > 4.068 ) and (bondedto (attr store1 < 111.160722631 and attr store1 > 110.360722631 ) or bondedto (attr store1 < 63.418 and attr store1 > 62.618 ) or bondedto (attr store1 < 15.6752773688 and attr store1 > 14.8752773688 ))) 6 0.1 0.1 peak 1680 volume 1291.99854 ppm1 4.098 ppm2 4.102 ! ############### C13_CNnoesy_manual.1681 folded + assi (attr store1 < 8.479 and attr store1 > 8.379 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.119722631 and attr store1 > 110.319722631 ) or bondedto (attr store1 < 63.377 and attr store1 > 62.577 ) or bondedto (attr store1 < 15.6342773688 and attr store1 > 14.8342773688 ))) 6 0.1 0.1 peak 1681 volume 29.04377 ppm1 0.829 ppm2 8.429 ! ############### C13_CNnoesy_manual.1682 folded + assi (attr store1 < 8.051 and attr store1 > 7.951 ) ((attr store1 < 0.858 and attr store1 > 0.798 ) and (bondedto (attr store1 < 111.119722631 and attr store1 > 110.319722631 ) or bondedto (attr store1 < 63.377 and attr store1 > 62.577 ) or bondedto (attr store1 < 15.6342773688 and attr store1 > 14.8342773688 ))) 6 0.1 0.1 peak 1682 volume 10.10390 ppm1 0.828 ppm2 8.001 ! ############### C13_CNnoesy_manual.1683 folded + assi (attr store1 < 4.882 and attr store1 > 4.782 ) ((attr store1 < 0.857 and attr store1 > 0.797 ) and (bondedto (attr store1 < 111.146722631 and attr store1 > 110.346722631 ) or bondedto (attr store1 < 63.404 and attr store1 > 62.604 ) or bondedto (attr store1 < 15.6612773688 and attr store1 > 14.8612773688 ))) 6 0.1 0.1 peak 1683 volume 6.79223 ppm1 0.827 ppm2 4.832 ! ############### C13_CNnoesy_manual.1684 folded + assi (attr store1 < 4.125 and attr store1 > 4.025 ) ((attr store1 < 0.858 and attr store1 > 0.798 ) and (bondedto (attr store1 < 111.141722631 and attr store1 > 110.341722631 ) or bondedto (attr store1 < 63.399 and attr store1 > 62.599 ) or bondedto (attr store1 < 15.6562773688 and attr store1 > 14.8562773688 ))) 6 0.1 0.1 peak 1684 volume 12.85674 ppm1 0.828 ppm2 4.075 ! ############### C13_CNnoesy_manual.1685 folded + assi (attr store1 < 3.882 and attr store1 > 3.782 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.125722631 and attr store1 > 110.325722631 ) or bondedto (attr store1 < 63.383 and attr store1 > 62.583 ) or bondedto (attr store1 < 15.6402773688 and attr store1 > 14.8402773688 ))) 6 0.1 0.1 peak 1685 volume 63.75445 ppm1 0.829 ppm2 3.832 ! ############### C13_CNnoesy_manual.1686 folded + assi (attr store1 < 3.581 and attr store1 > 3.481 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.136722631 and attr store1 > 110.336722631 ) or bondedto (attr store1 < 63.394 and attr store1 > 62.594 ) or bondedto (attr store1 < 15.6512773688 and attr store1 > 14.8512773688 ))) 6 0.1 0.1 peak 1686 volume 23.99850 ppm1 0.829 ppm2 3.531 ! ############### C13_CNnoesy_manual.1687 folded + assi (attr store1 < 2.637 and attr store1 > 2.537 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.132722631 and attr store1 > 110.332722631 ) or bondedto (attr store1 < 63.39 and attr store1 > 62.59 ) or bondedto (attr store1 < 15.6472773688 and attr store1 > 14.8472773688 ))) 6 0.1 0.1 peak 1687 volume 10.77095 ppm1 0.829 ppm2 2.587 ! ############### C13_CNnoesy_manual.1688 folded + assi (attr store1 < 2.43 and attr store1 > 2.33 ) ((attr store1 < 0.858 and attr store1 > 0.798 ) and (bondedto (attr store1 < 111.118722631 and attr store1 > 110.318722631 ) or bondedto (attr store1 < 63.376 and attr store1 > 62.576 ) or bondedto (attr store1 < 15.6332773688 and attr store1 > 14.8332773688 ))) 6 0.1 0.1 peak 1688 volume 24.85345 ppm1 0.828 ppm2 2.380 ! ############### C13_CNnoesy_manual.1689 folded + assi (attr store1 < 1.421 and attr store1 > 1.321 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.117722631 and attr store1 > 110.317722631 ) or bondedto (attr store1 < 63.375 and attr store1 > 62.575 ) or bondedto (attr store1 < 15.6322773688 and attr store1 > 14.8322773688 ))) 6 0.1 0.1 peak 1689 volume 72.41810 ppm1 0.829 ppm2 1.371 ! ############### C13_CNnoesy_manual.1690 folded + assi (attr store1 < 1.577 and attr store1 > 1.477 ) ((attr store1 < 4.249 and attr store1 > 4.189 ) and (bondedto (attr store1 < 111.073722631 and attr store1 > 110.273722631 ) or bondedto (attr store1 < 63.331 and attr store1 > 62.531 ) or bondedto (attr store1 < 15.5882773688 and attr store1 > 14.7882773688 ))) 6 0.1 0.1 peak 1690 volume 47.35048 ppm1 4.219 ppm2 1.527 ! ############### C13_CNnoesy_manual.1691 folded + assi (attr store1 < 7.311 and attr store1 > 7.211 ) ((attr store1 < 4.245 and attr store1 > 4.185 ) and (bondedto (attr store1 < 111.113722631 and attr store1 > 110.313722631 ) or bondedto (attr store1 < 63.371 and attr store1 > 62.571 ) or bondedto (attr store1 < 15.6282773688 and attr store1 > 14.8282773688 ))) 6 0.1 0.1 peak 1691 volume 17.79490 ppm1 4.215 ppm2 7.261 ! ############### C13_CNnoesy_manual.1692 folded + assi (attr store1 < 3.262 and attr store1 > 3.162 ) ((attr store1 < 4.247 and attr store1 > 4.187 ) and (bondedto (attr store1 < 111.096722631 and attr store1 > 110.296722631 ) or bondedto (attr store1 < 63.354 and attr store1 > 62.554 ) or bondedto (attr store1 < 15.6112773688 and attr store1 > 14.8112773688 ))) 6 0.1 0.1 peak 1692 volume 17.10677 ppm1 4.217 ppm2 3.212 ! ############### C13_CNnoesy_manual.1693 folded + assi (attr store1 < 2.904 and attr store1 > 2.804 ) ((attr store1 < 4.248 and attr store1 > 4.188 ) and (bondedto (attr store1 < 111.092722631 and attr store1 > 110.292722631 ) or bondedto (attr store1 < 63.35 and attr store1 > 62.55 ) or bondedto (attr store1 < 15.6072773688 and attr store1 > 14.8072773688 ))) 6 0.1 0.1 peak 1693 volume 30.81450 ppm1 4.218 ppm2 2.854 ! ############### C13_CNnoesy_manual.1694 folded + assi (attr store1 < 1.386 and attr store1 > 1.286 ) ((attr store1 < 4.247 and attr store1 > 4.187 ) and (bondedto (attr store1 < 111.091722631 and attr store1 > 110.291722631 ) or bondedto (attr store1 < 63.349 and attr store1 > 62.549 ) or bondedto (attr store1 < 15.6062773688 and attr store1 > 14.8062773688 ))) 6 0.1 0.1 peak 1694 volume 26.83818 ppm1 4.217 ppm2 1.336 ! ############### C13_CNnoesy_manual.1695 folded + assi (attr store1 < 8.334 and attr store1 > 8.234 ) ((attr store1 < 4.133 and attr store1 > 4.073 ) and (bondedto (attr store1 < 111.094722631 and attr store1 > 110.294722631 ) or bondedto (attr store1 < 63.352 and attr store1 > 62.552 ) or bondedto (attr store1 < 15.6092773688 and attr store1 > 14.8092773688 ))) 6 0.1 0.1 peak 1695 volume 22.30422 ppm1 4.103 ppm2 8.284 ! ############### C13_CNnoesy_manual.1696 folded + assi (attr store1 < 1.652 and attr store1 > 1.552 ) ((attr store1 < 4.135 and attr store1 > 4.075 ) and (bondedto (attr store1 < 111.091722631 and attr store1 > 110.291722631 ) or bondedto (attr store1 < 63.349 and attr store1 > 62.549 ) or bondedto (attr store1 < 15.6062773688 and attr store1 > 14.8062773688 ))) 6 0.1 0.1 peak 1696 volume 33.82677 ppm1 4.105 ppm2 1.602 ! ############### C13_CNnoesy_manual.1697 folded + assi (attr store1 < 8.715 and attr store1 > 8.615 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.107722631 and attr store1 > 110.307722631 ) or bondedto (attr store1 < 63.365 and attr store1 > 62.565 ) or bondedto (attr store1 < 15.6222773688 and attr store1 > 14.8222773688 ))) 6 0.1 0.1 peak 1697 volume 9.15576 ppm1 0.829 ppm2 8.665 ! ############### C13_CNnoesy_manual.1698 folded + assi (attr store1 < 8.205 and attr store1 > 8.105 ) ((attr store1 < 0.857 and attr store1 > 0.797 ) and (bondedto (attr store1 < 111.092722631 and attr store1 > 110.292722631 ) or bondedto (attr store1 < 63.35 and attr store1 > 62.55 ) or bondedto (attr store1 < 15.6072773688 and attr store1 > 14.8072773688 ))) 6 0.1 0.1 peak 1698 volume 5.52169 ppm1 0.827 ppm2 8.155 ! ############### C13_CNnoesy_manual.1699 folded + assi (attr store1 < 7.751 and attr store1 > 7.651 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.069722631 and attr store1 > 110.269722631 ) or bondedto (attr store1 < 63.327 and attr store1 > 62.527 ) or bondedto (attr store1 < 15.5842773688 and attr store1 > 14.7842773688 ))) 6 0.1 0.1 peak 1699 volume 5.72139 ppm1 0.829 ppm2 7.701 ! ############### C13_CNnoesy_manual.1700 folded + assi (attr store1 < 2.144 and attr store1 > 2.044 ) ((attr store1 < 0.858 and attr store1 > 0.798 ) and (bondedto (attr store1 < 111.113722631 and attr store1 > 110.313722631 ) or bondedto (attr store1 < 63.371 and attr store1 > 62.571 ) or bondedto (attr store1 < 15.6282773688 and attr store1 > 14.8282773688 ))) 6 0.1 0.1 peak 1700 volume 77.88586 ppm1 0.828 ppm2 2.094 ! ############### C13_CNnoesy_manual.1701 folded + assi (attr store1 < 1.953 and attr store1 > 1.853 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.114722631 and attr store1 > 110.314722631 ) or bondedto (attr store1 < 63.372 and attr store1 > 62.572 ) or bondedto (attr store1 < 15.6292773688 and attr store1 > 14.8292773688 ))) 6 0.1 0.1 peak 1701 volume 124.68068 ppm1 0.829 ppm2 1.903 ! ############### C13_CNnoesy_manual.1702 folded + assi (attr store1 < 1.576 and attr store1 > 1.476 ) ((attr store1 < 0.858 and attr store1 > 0.798 ) and (bondedto (attr store1 < 111.115722631 and attr store1 > 110.315722631 ) or bondedto (attr store1 < 63.373 and attr store1 > 62.573 ) or bondedto (attr store1 < 15.6302773688 and attr store1 > 14.8302773688 ))) 6 0.1 0.1 peak 1702 volume 38.33941 ppm1 0.828 ppm2 1.526 ! ############### C13_CNnoesy_manual.1703 folded + assi (attr store1 < 0.879 and attr store1 > 0.779 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.115722631 and attr store1 > 110.315722631 ) or bondedto (attr store1 < 63.373 and attr store1 > 62.573 ) or bondedto (attr store1 < 15.6302773688 and attr store1 > 14.8302773688 ))) 6 0.1 0.1 peak 1703 volume 2374.81421 ppm1 0.829 ppm2 0.829 ! ############### C13_CNnoesy_manual.1704 folded + assi (attr store1 < 0.519 and attr store1 > 0.419 ) ((attr store1 < 0.853 and attr store1 > 0.793 ) and (bondedto (attr store1 < 111.087722631 and attr store1 > 110.287722631 ) or bondedto (attr store1 < 63.345 and attr store1 > 62.545 ) or bondedto (attr store1 < 15.6022773688 and attr store1 > 14.8022773688 ))) 6 0.1 0.1 peak 1704 volume 9.96005 ppm1 0.823 ppm2 0.469 ! ############### C13_CNnoesy_manual.1705 folded + assi (attr store1 < 0.142 and attr store1 > 0.042 ) ((attr store1 < 0.859 and attr store1 > 0.799 ) and (bondedto (attr store1 < 111.106722631 and attr store1 > 110.306722631 ) or bondedto (attr store1 < 63.364 and attr store1 > 62.564 ) or bondedto (attr store1 < 15.6212773688 and attr store1 > 14.8212773688 ))) 6 0.1 0.1 peak 1705 volume 13.62257 ppm1 0.829 ppm2 0.092 ! ############### C13_CNnoesy_manual.1706 folded + assi (attr store1 < 8.423 and attr store1 > 8.323 ) ((attr store1 < 4.194 and attr store1 > 4.134 ) and (bondedto (attr store1 < 110.691722631 and attr store1 > 109.891722631 ) or bondedto (attr store1 < 62.949 and attr store1 > 62.149 ) or bondedto (attr store1 < 15.2062773688 and attr store1 > 14.4062773688 ))) 6 0.1 0.1 peak 1706 volume 6.84179 ppm1 4.164 ppm2 8.373 ! ############### C13_CNnoesy_manual.1707 folded + assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 4.193 and attr store1 > 4.133 ) and (bondedto (attr store1 < 110.669722631 and attr store1 > 109.869722631 ) or bondedto (attr store1 < 62.927 and attr store1 > 62.127 ) or bondedto (attr store1 < 15.1842773688 and attr store1 > 14.3842773688 ))) 6 0.1 0.1 peak 1707 volume 110.47118 ppm1 4.163 ppm2 4.840 ! ############### C13_CNnoesy_manual.1708 folded + assi (attr store1 < 4.5 and attr store1 > 4.4 ) ((attr store1 < 4.189 and attr store1 > 4.129 ) and (bondedto (attr store1 < 110.701722631 and attr store1 > 109.901722631 ) or bondedto (attr store1 < 62.959 and attr store1 > 62.159 ) or bondedto (attr store1 < 15.2162773688 and attr store1 > 14.4162773688 ))) 6 0.1 0.1 peak 1708 volume 8.07624 ppm1 4.159 ppm2 4.450 ! ############### C13_CNnoesy_manual.1709 folded + assi (attr store1 < 4.214 and attr store1 > 4.114 ) ((attr store1 < 4.194 and attr store1 > 4.134 ) and (bondedto (attr store1 < 110.683722631 and attr store1 > 109.883722631 ) or bondedto (attr store1 < 62.941 and attr store1 > 62.141 ) or bondedto (attr store1 < 15.1982773688 and attr store1 > 14.3982773688 ))) 6 0.1 0.1 peak 1709 volume 781.81458 ppm1 4.164 ppm2 4.164 ! ############### C13_CNnoesy_manual.1710 folded + assi (attr store1 < 3.932 and attr store1 > 3.832 ) ((attr store1 < 4.192 and attr store1 > 4.132 ) and (bondedto (attr store1 < 110.654722631 and attr store1 > 109.854722631 ) or bondedto (attr store1 < 62.912 and attr store1 > 62.112 ) or bondedto (attr store1 < 15.1692773688 and attr store1 > 14.3692773688 ))) 6 0.1 0.1 peak 1710 volume 82.17850 ppm1 4.162 ppm2 3.882 ! ############### C13_CNnoesy_manual.1711 folded + assi (attr store1 < 0.909 and attr store1 > 0.809 ) ((attr store1 < 4.193 and attr store1 > 4.133 ) and (bondedto (attr store1 < 110.673722631 and attr store1 > 109.873722631 ) or bondedto (attr store1 < 62.931 and attr store1 > 62.131 ) or bondedto (attr store1 < 15.1882773688 and attr store1 > 14.3882773688 ))) 6 0.1 0.1 peak 1711 volume 63.80157 ppm1 4.163 ppm2 0.859 ! ############### C13_CNnoesy_manual.1712 folded - assi (attr store1 < 7.03 and attr store1 > 6.93 ) ((attr store1 < 3.327 and attr store1 > 3.267 ) and (bondedto (attr store1 < 134.532083947 and attr store1 > 133.732083947 ) or bondedto (attr store1 < 39.0466386844 and attr store1 > 38.2466386844 ))) 6 0.1 0.1 peak 1712 volume 25.57374 ppm1 3.297 ppm2 6.980 ! ############### C13_CNnoesy_manual.1713 folded - assi (attr store1 < 4.888 and attr store1 > 4.788 ) ((attr store1 < 3.329 and attr store1 > 3.269 ) and (bondedto (attr store1 < 134.535083947 and attr store1 > 133.735083947 ) or bondedto (attr store1 < 39.0496386844 and attr store1 > 38.2496386844 ))) 6 0.1 0.1 peak 1713 volume 16.28367 ppm1 3.299 ppm2 4.838 ! ############### C13_CNnoesy_manual.1714 folded - assi (attr store1 < 4.087 and attr store1 > 3.987 ) ((attr store1 < 3.329 and attr store1 > 3.269 ) and (bondedto (attr store1 < 134.532083947 and attr store1 > 133.732083947 ) or bondedto (attr store1 < 39.0466386844 and attr store1 > 38.2466386844 ))) 6 0.1 0.1 peak 1714 volume 26.86175 ppm1 3.299 ppm2 4.037 ! ############### C13_CNnoesy_manual.1715 folded - assi (attr store1 < 3.345 and attr store1 > 3.245 ) ((attr store1 < 3.326 and attr store1 > 3.266 ) and (bondedto (attr store1 < 134.535083947 and attr store1 > 133.735083947 ) or bondedto (attr store1 < 39.0496386844 and attr store1 > 38.2496386844 ))) 6 0.1 0.1 peak 1715 volume 129.91982 ppm1 3.296 ppm2 3.295 ! ############### C13_CNnoesy_manual.1716 folded - assi (attr store1 < 3.09 and attr store1 > 2.99 ) ((attr store1 < 3.327 and attr store1 > 3.267 ) and (bondedto (attr store1 < 134.544083947 and attr store1 > 133.744083947 ) or bondedto (attr store1 < 39.0586386844 and attr store1 > 38.2586386844 ))) 6 0.1 0.1 peak 1716 volume 92.66863 ppm1 3.297 ppm2 3.040 ! ############### C13_CNnoesy_manual.1717 folded - assi (attr store1 < 0.804 and attr store1 > 0.704 ) ((attr store1 < 3.331 and attr store1 > 3.271 ) and (bondedto (attr store1 < 134.598083947 and attr store1 > 133.798083947 ) or bondedto (attr store1 < 39.1126386844 and attr store1 > 38.3126386844 ))) 6 0.1 0.1 peak 1717 volume 7.20331 ppm1 3.301 ppm2 0.754 ! ############### C13_CNnoesy_manual.1718 folded - assi (attr store1 < 9.048 and attr store1 > 8.948 ) ((attr store1 < 3.067 and attr store1 > 3.007 ) and (bondedto (attr store1 < 134.562083947 and attr store1 > 133.762083947 ) or bondedto (attr store1 < 39.0766386844 and attr store1 > 38.2766386844 ))) 6 0.1 0.1 peak 1718 volume 8.16279 ppm1 3.037 ppm2 8.998 ! ############### C13_CNnoesy_manual.1719 folded - assi (attr store1 < 7.03 and attr store1 > 6.93 ) ((attr store1 < 3.07 and attr store1 > 3.01 ) and (bondedto (attr store1 < 134.527083947 and attr store1 > 133.727083947 ) or bondedto (attr store1 < 39.0416386844 and attr store1 > 38.2416386844 ))) 6 0.1 0.1 peak 1719 volume 28.21288 ppm1 3.040 ppm2 6.980 ! ############### C13_CNnoesy_manual.1720 folded - assi (attr store1 < 4.087 and attr store1 > 3.987 ) ((attr store1 < 3.071 and attr store1 > 3.011 ) and (bondedto (attr store1 < 134.566083947 and attr store1 > 133.766083947 ) or bondedto (attr store1 < 39.0806386844 and attr store1 > 38.2806386844 ))) 6 0.1 0.1 peak 1720 volume 20.488 ppm1 3.041 ppm2 4.037 ! ############### C13_CNnoesy_manual.1721 folded - assi (attr store1 < 3.347 and attr store1 > 3.247 ) ((attr store1 < 3.071 and attr store1 > 3.011 ) and (bondedto (attr store1 < 134.537083947 and attr store1 > 133.737083947 ) or bondedto (attr store1 < 39.0516386844 and attr store1 > 38.2516386844 ))) 6 0.1 0.1 peak 1721 volume 94.83747 ppm1 3.041 ppm2 3.297 ! ############### C13_CNnoesy_manual.1722 folded - assi (attr store1 < 2.011 and attr store1 > 1.911 ) ((attr store1 < 3.33 and attr store1 > 3.27 ) and (bondedto (attr store1 < 134.469083947 and attr store1 > 133.669083947 ) or bondedto (attr store1 < 38.9836386844 and attr store1 > 38.1836386844 ))) 6 0.1 0.1 peak 1722 volume 5.62978 ppm1 3.300 ppm2 1.961 ! ############### C13_CNnoesy_manual.1723 folded - assi (attr store1 < 1.151 and attr store1 > 1.051 ) ((attr store1 < 3.324 and attr store1 > 3.264 ) and (bondedto (attr store1 < 134.502083947 and attr store1 > 133.702083947 ) or bondedto (attr store1 < 39.0166386844 and attr store1 > 38.2166386844 ))) 6 0.1 0.1 peak 1723 volume 6.33569 ppm1 3.294 ppm2 1.101 ! ############### C13_CNnoesy_manual.1724 folded - assi (attr store1 < 4.261 and attr store1 > 4.161 ) ((attr store1 < 3.255 and attr store1 > 3.195 ) and (bondedto (attr store1 < 134.455083947 and attr store1 > 133.655083947 ) or bondedto (attr store1 < 38.9696386844 and attr store1 > 38.1696386844 ))) 6 0.1 0.1 peak 1724 volume 12.71799 ppm1 3.225 ppm2 4.211 ! ############### C13_CNnoesy_manual.1725 folded - assi (attr store1 < 3.274 and attr store1 > 3.174 ) ((attr store1 < 3.247 and attr store1 > 3.187 ) and (bondedto (attr store1 < 134.482083947 and attr store1 > 133.682083947 ) or bondedto (attr store1 < 38.9966386844 and attr store1 > 38.1966386844 ))) 6 0.1 0.1 peak 1725 volume 52.55601 ppm1 3.217 ppm2 3.224 ! ############### C13_CNnoesy_manual.1726 folded - assi (attr store1 < 1.611 and attr store1 > 1.511 ) ((attr store1 < 3.254 and attr store1 > 3.194 ) and (bondedto (attr store1 < 134.468083947 and attr store1 > 133.668083947 ) or bondedto (attr store1 < 38.9826386844 and attr store1 > 38.1826386844 ))) 6 0.1 0.1 peak 1726 volume 13.55798 ppm1 3.224 ppm2 1.561 ! ############### C13_CNnoesy_manual.1727 folded - assi (attr store1 < 2.904 and attr store1 > 2.804 ) ((attr store1 < 3.242 and attr store1 > 3.182 ) and (bondedto (attr store1 < 134.445083947 and attr store1 > 133.645083947 ) or bondedto (attr store1 < 38.9596386844 and attr store1 > 38.1596386844 ))) 6 0.1 0.1 peak 1727 volume 45.9239 ppm1 3.212 ppm2 2.854 ! ############### C13_CNnoesy_manual.1728 folded - assi (attr store1 < 8.318 and attr store1 > 8.218 ) ((attr store1 < 3.233 and attr store1 > 3.173 ) and (bondedto (attr store1 < 134.477083947 and attr store1 > 133.677083947 ) or bondedto (attr store1 < 38.9916386844 and attr store1 > 38.1916386844 ))) 6 0.1 0.1 peak 1728 volume 10.86769 ppm1 3.203 ppm2 8.268 ! ############### C13_CNnoesy_manual.1729 folded - assi (attr store1 < 7.292 and attr store1 > 7.192 ) ((attr store1 < 3.227 and attr store1 > 3.167 ) and (bondedto (attr store1 < 134.464083947 and attr store1 > 133.664083947 ) or bondedto (attr store1 < 38.9786386844 and attr store1 > 38.1786386844 ))) 6 0.1 0.1 peak 1729 volume 7.84862 ppm1 3.197 ppm2 7.242 ! ############### C13_CNnoesy_manual.1730 folded - assi (attr store1 < 3.092 and attr store1 > 2.992 ) ((attr store1 < 3.072 and attr store1 > 3.012 ) and (bondedto (attr store1 < 134.472083947 and attr store1 > 133.672083947 ) or bondedto (attr store1 < 38.9866386844 and attr store1 > 38.1866386844 ))) 6 0.1 0.1 peak 1730 volume 124.09245 ppm1 3.042 ppm2 3.042 ! ############### C13_CNnoesy_manual.1731 folded - assi (attr store1 < 7.307 and attr store1 > 7.207 ) ((attr store1 < 2.886 and attr store1 > 2.826 ) and (bondedto (attr store1 < 134.464083947 and attr store1 > 133.664083947 ) or bondedto (attr store1 < 38.9786386844 and attr store1 > 38.1786386844 ))) 6 0.1 0.1 peak 1731 volume 10.89968 ppm1 2.856 ppm2 7.257 ! ############### C13_CNnoesy_manual.1732 folded - assi (attr store1 < 4.261 and attr store1 > 4.161 ) ((attr store1 < 2.886 and attr store1 > 2.826 ) and (bondedto (attr store1 < 134.433083947 and attr store1 > 133.633083947 ) or bondedto (attr store1 < 38.9476386844 and attr store1 > 38.1476386844 ))) 6 0.1 0.1 peak 1732 volume 19.25573 ppm1 2.856 ppm2 4.211 ! ############### C13_CNnoesy_manual.1733 folded - assi (attr store1 < 3.261 and attr store1 > 3.161 ) ((attr store1 < 2.887 and attr store1 > 2.827 ) and (bondedto (attr store1 < 134.455083947 and attr store1 > 133.655083947 ) or bondedto (attr store1 < 38.9696386844 and attr store1 > 38.1696386844 ))) 6 0.1 0.1 peak 1733 volume 55.69936 ppm1 2.857 ppm2 3.211 ! ############### C13_CNnoesy_manual.1734 folded - assi (attr store1 < 8.325 and attr store1 > 8.225 ) ((attr store1 < 2.877 and attr store1 > 2.817 ) and (bondedto (attr store1 < 134.462083947 and attr store1 > 133.662083947 ) or bondedto (attr store1 < 38.9766386844 and attr store1 > 38.1766386844 ))) 6 0.1 0.1 peak 1734 volume 9.95086 ppm1 2.847 ppm2 8.275 ! ############### C13_CNnoesy_manual.1735 folded - assi (attr store1 < 3.864 and attr store1 > 3.764 ) ((attr store1 < 1.737 and attr store1 > 1.677 ) and (bondedto (attr store1 < 134.458083947 and attr store1 > 133.658083947 ) or bondedto (attr store1 < 38.9726386844 and attr store1 > 38.1726386844 ))) 6 0.1 0.1 peak 1735 volume 6.43608 ppm1 1.707 ppm2 3.814 ! ############### C13_CNnoesy_manual.1736 folded + assi (attr store1 < 7.502 and attr store1 > 7.402 ) ((attr store1 < 4.678 and attr store1 > 4.618 ) and (bondedto (attr store1 < 110.483722631 and attr store1 > 109.683722631 ) or bondedto (attr store1 < 62.741 and attr store1 > 61.941 ) or bondedto (attr store1 < 14.9982773688 and attr store1 > 14.1982773688 ))) 6 0.1 0.1 peak 1736 volume 23.88347 ppm1 4.648 ppm2 7.452 ! ############### C13_CNnoesy_manual.1737 folded + assi (attr store1 < 5.496 and attr store1 > 5.396 ) ((attr store1 < 4.675 and attr store1 > 4.615 ) and (bondedto (attr store1 < 110.484722631 and attr store1 > 109.684722631 ) or bondedto (attr store1 < 62.742 and attr store1 > 61.942 ) or bondedto (attr store1 < 14.9992773688 and attr store1 > 14.1992773688 ))) 6 0.1 0.1 peak 1737 volume 7.49851 ppm1 4.645 ppm2 5.446 ! ############### C13_CNnoesy_manual.1738 folded + assi (attr store1 < 8.512 and attr store1 > 8.412 ) ((attr store1 < 0.916 and attr store1 > 0.856 ) and (bondedto (attr store1 < 110.508722631 and attr store1 > 109.708722631 ) or bondedto (attr store1 < 62.766 and attr store1 > 61.966 ) or bondedto (attr store1 < 15.0232773688 and attr store1 > 14.2232773688 ))) 6 0.1 0.1 peak 1738 volume 10.60259 ppm1 0.886 ppm2 8.462 ! ############### C13_CNnoesy_manual.1739 folded + assi (attr store1 < 8.229 and attr store1 > 8.129 ) ((attr store1 < 0.915 and attr store1 > 0.855 ) and (bondedto (attr store1 < 110.498722631 and attr store1 > 109.698722631 ) or bondedto (attr store1 < 62.756 and attr store1 > 61.956 ) or bondedto (attr store1 < 15.0132773688 and attr store1 > 14.2132773688 ))) 6 0.1 0.1 peak 1739 volume 36.74794 ppm1 0.885 ppm2 8.179 ! ############### C13_CNnoesy_manual.1740 folded + assi (attr store1 < 8.078 and attr store1 > 7.978 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 110.525722631 and attr store1 > 109.725722631 ) or bondedto (attr store1 < 62.783 and attr store1 > 61.983 ) or bondedto (attr store1 < 15.0402773688 and attr store1 > 14.2402773688 ))) 6 0.1 0.1 peak 1740 volume 7.66325 ppm1 0.888 ppm2 8.028 ! ############### C13_CNnoesy_manual.1741 folded + assi (attr store1 < 7.049 and attr store1 > 6.949 ) ((attr store1 < 0.918 and attr store1 > 0.858 ) and (bondedto (attr store1 < 110.479722631 and attr store1 > 109.679722631 ) or bondedto (attr store1 < 62.737 and attr store1 > 61.937 ) or bondedto (attr store1 < 14.9942773688 and attr store1 > 14.1942773688 ))) 6 0.1 0.1 peak 1741 volume 6.46723 ppm1 0.888 ppm2 6.999 ! ############### C13_CNnoesy_manual.1742 folded + assi (attr store1 < 6.799 and attr store1 > 6.699 ) ((attr store1 < 0.919 and attr store1 > 0.859 ) and (bondedto (attr store1 < 110.469722631 and attr store1 > 109.669722631 ) or bondedto (attr store1 < 62.727 and attr store1 > 61.927 ) or bondedto (attr store1 < 14.9842773688 and attr store1 > 14.1842773688 ))) 6 0.1 0.1 peak 1742 volume 5.79185 ppm1 0.889 ppm2 6.749 ! ############### C13_CNnoesy_manual.1743 folded + assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 0.915 and attr store1 > 0.855 ) and (bondedto (attr store1 < 110.467722631 and attr store1 > 109.667722631 ) or bondedto (attr store1 < 62.725 and attr store1 > 61.925 ) or bondedto (attr store1 < 14.9822773688 and attr store1 > 14.1822773688 ))) 6 0.1 0.1 peak 1743 volume 10.69327 ppm1 0.885 ppm2 4.837 ! ############### C13_CNnoesy_manual.1744 folded + assi (attr store1 < 3.868 and attr store1 > 3.768 ) ((attr store1 < 0.917 and attr store1 > 0.857 ) and (bondedto (attr store1 < 110.496722631 and attr store1 > 109.696722631 ) or bondedto (attr store1 < 62.754 and attr store1 > 61.954 ) or bondedto (attr store1 < 15.0112773688 and attr store1 > 14.2112773688 ))) 6 0.1 0.1 peak 1744 volume 26.30856 ppm1 0.887 ppm2 3.818 ! ############### C13_CNnoesy_manual.1745 folded + assi (attr store1 < 3.581 and attr store1 > 3.481 ) ((attr store1 < 0.917 and attr store1 > 0.857 ) and (bondedto (attr store1 < 110.502722631 and attr store1 > 109.702722631 ) or bondedto (attr store1 < 62.76 and attr store1 > 61.96 ) or bondedto (attr store1 < 15.0172773688 and attr store1 > 14.2172773688 ))) 6 0.1 0.1 peak 1745 volume 37.81395 ppm1 0.887 ppm2 3.531 ! ############### C13_CNnoesy_manual.1746 folded + assi (attr store1 < 2.228 and attr store1 > 2.128 ) ((attr store1 < 0.916 and attr store1 > 0.856 ) and (bondedto (attr store1 < 110.497722631 and attr store1 > 109.697722631 ) or bondedto (attr store1 < 62.755 and attr store1 > 61.955 ) or bondedto (attr store1 < 15.0122773688 and attr store1 > 14.2122773688 ))) 6 0.1 0.1 peak 1746 volume 93.44965 ppm1 0.886 ppm2 2.178 ! ############### C13_CNnoesy_manual.1747 folded + assi (attr store1 < 1.971 and attr store1 > 1.871 ) ((attr store1 < 0.916 and attr store1 > 0.856 ) and (bondedto (attr store1 < 110.496722631 and attr store1 > 109.696722631 ) or bondedto (attr store1 < 62.754 and attr store1 > 61.954 ) or bondedto (attr store1 < 15.0112773688 and attr store1 > 14.2112773688 ))) 6 0.1 0.1 peak 1747 volume 176.09546 ppm1 0.886 ppm2 1.921 ! ############### C13_CNnoesy_manual.1748 folded + assi (attr store1 < 1.256 and attr store1 > 1.156 ) ((attr store1 < 0.916 and attr store1 > 0.856 ) and (bondedto (attr store1 < 110.503722631 and attr store1 > 109.703722631 ) or bondedto (attr store1 < 62.761 and attr store1 > 61.961 ) or bondedto (attr store1 < 15.0182773688 and attr store1 > 14.2182773688 ))) 6 0.1 0.1 peak 1748 volume 131.07620 ppm1 0.886 ppm2 1.206 ! ############### C13_CNnoesy_manual.1749 folded + assi (attr store1 < 0.937 and attr store1 > 0.837 ) ((attr store1 < 0.916 and attr store1 > 0.856 ) and (bondedto (attr store1 < 110.490722631 and attr store1 > 109.690722631 ) or bondedto (attr store1 < 62.748 and attr store1 > 61.948 ) or bondedto (attr store1 < 15.0052773688 and attr store1 > 14.2052773688 ))) 6 0.1 0.1 peak 1749 volume 2945.09619 ppm1 0.886 ppm2 0.887 ! ############### C13_CNnoesy_manual.1750 folded + assi (attr store1 < 0.771 and attr store1 > 0.671 ) ((attr store1 < 0.915 and attr store1 > 0.855 ) and (bondedto (attr store1 < 110.477722631 and attr store1 > 109.677722631 ) or bondedto (attr store1 < 62.735 and attr store1 > 61.935 ) or bondedto (attr store1 < 14.9922773688 and attr store1 > 14.1922773688 ))) 6 0.1 0.1 peak 1750 volume 68.68367 ppm1 0.885 ppm2 0.721 ! ############### C13_CNnoesy_manual.1751 folded - assi (attr store1 < 1.616 and attr store1 > 1.516 ) ((attr store1 < 2.883 and attr store1 > 2.823 ) and (bondedto (attr store1 < 134.427083947 and attr store1 > 133.627083947 ) or bondedto (attr store1 < 38.9416386844 and attr store1 > 38.1416386844 ))) 6 0.1 0.1 peak 1751 volume 20.03434 ppm1 2.853 ppm2 1.566 ! ############### C13_CNnoesy_manual.1752 folded - assi (attr store1 < 8.74 and attr store1 > 8.64 ) ((attr store1 < 2.119 and attr store1 > 2.059 ) and (bondedto (attr store1 < 134.340083947 and attr store1 > 133.540083947 ) or bondedto (attr store1 < 38.8546386844 and attr store1 > 38.0546386844 ))) 6 0.1 0.1 peak 1752 volume 39.88562 ppm1 2.089 ppm2 8.690 ! ############### C13_CNnoesy_manual.1753 folded - assi (attr store1 < 7.274 and attr store1 > 7.174 ) ((attr store1 < 1.736 and attr store1 > 1.676 ) and (bondedto (attr store1 < 134.356083947 and attr store1 > 133.556083947 ) or bondedto (attr store1 < 38.8706386844 and attr store1 > 38.0706386844 ))) 6 0.1 0.1 peak 1753 volume 28.92956 ppm1 1.706 ppm2 7.224 ! ############### C13_CNnoesy_manual.1754 folded - assi (attr store1 < 4.158 and attr store1 > 4.058 ) ((attr store1 < 1.738 and attr store1 > 1.678 ) and (bondedto (attr store1 < 134.351083947 and attr store1 > 133.551083947 ) or bondedto (attr store1 < 38.8656386844 and attr store1 > 38.0656386844 ))) 6 0.1 0.1 peak 1754 volume 12.68303 ppm1 1.708 ppm2 4.108 ! ############### C13_CNnoesy_manual.1755 folded - assi (attr store1 < 2.345 and attr store1 > 2.245 ) ((attr store1 < 1.738 and attr store1 > 1.678 ) and (bondedto (attr store1 < 134.352083947 and attr store1 > 133.552083947 ) or bondedto (attr store1 < 38.8666386844 and attr store1 > 38.0666386844 ))) 6 0.1 0.1 peak 1755 volume 18.50382 ppm1 1.708 ppm2 2.295 ! ############### C13_CNnoesy_manual.1756 folded - assi (attr store1 < 1.756 and attr store1 > 1.656 ) ((attr store1 < 1.737 and attr store1 > 1.677 ) and (bondedto (attr store1 < 134.340083947 and attr store1 > 133.540083947 ) or bondedto (attr store1 < 38.8546386844 and attr store1 > 38.0546386844 ))) 6 0.1 0.1 peak 1756 volume 200.09615 ppm1 1.707 ppm2 1.706 ! ############### C13_CNnoesy_manual.1757 folded - assi (attr store1 < 0.796 and attr store1 > 0.696 ) ((attr store1 < 1.736 and attr store1 > 1.676 ) and (bondedto (attr store1 < 134.344083947 and attr store1 > 133.544083947 ) or bondedto (attr store1 < 38.8586386844 and attr store1 > 38.0586386844 ))) 6 0.1 0.1 peak 1757 volume 76.90566 ppm1 1.706 ppm2 0.746 ! ############### C13_CNnoesy_manual.1758 folded - assi (attr store1 < 0.129 and attr store1 > 0.029 ) ((attr store1 < 1.736 and attr store1 > 1.676 ) and (bondedto (attr store1 < 134.369083947 and attr store1 > 133.569083947 ) or bondedto (attr store1 < 38.8836386844 and attr store1 > 38.0836386844 ))) 6 0.1 0.1 peak 1758 volume 37.52955 ppm1 1.706 ppm2 0.079 ! ############### C13_CNnoesy_manual.1759 folded + assi (attr store1 < 8.218 and attr store1 > 8.118 ) ((attr store1 < 4.686 and attr store1 > 4.626 ) and (bondedto (attr store1 < 110.379722631 and attr store1 > 109.579722631 ) or bondedto (attr store1 < 62.637 and attr store1 > 61.837 ) or bondedto (attr store1 < 14.8942773688 and attr store1 > 14.0942773688 ))) 6 0.1 0.1 peak 1759 volume 8.13662 ppm1 4.656 ppm2 8.168 ! ############### C13_CNnoesy_manual.1760 folded + assi (attr store1 < 7.831 and attr store1 > 7.731 ) ((attr store1 < 4.68 and attr store1 > 4.62 ) and (bondedto (attr store1 < 110.394722631 and attr store1 > 109.594722631 ) or bondedto (attr store1 < 62.652 and attr store1 > 61.852 ) or bondedto (attr store1 < 14.9092773688 and attr store1 > 14.1092773688 ))) 6 0.1 0.1 peak 1760 volume 13.89917 ppm1 4.650 ppm2 7.781 ! ############### C13_CNnoesy_manual.1761 folded + assi (attr store1 < 2.322 and attr store1 > 2.222 ) ((attr store1 < 4.679 and attr store1 > 4.619 ) and (bondedto (attr store1 < 110.420722631 and attr store1 > 109.620722631 ) or bondedto (attr store1 < 62.678 and attr store1 > 61.878 ) or bondedto (attr store1 < 14.9352773688 and attr store1 > 14.1352773688 ))) 6 0.1 0.1 peak 1761 volume 24.30896 ppm1 4.649 ppm2 2.272 ! ############### C13_CNnoesy_manual.1762 folded + assi (attr store1 < 0.944 and attr store1 > 0.844 ) ((attr store1 < 4.68 and attr store1 > 4.62 ) and (bondedto (attr store1 < 110.433722631 and attr store1 > 109.633722631 ) or bondedto (attr store1 < 62.691 and attr store1 > 61.891 ) or bondedto (attr store1 < 14.9482773688 and attr store1 > 14.1482773688 ))) 6 0.1 0.1 peak 1762 volume 27.10759 ppm1 4.650 ppm2 0.894 ! ############### C13_CNnoesy_manual.1763 folded + assi (attr store1 < 9.631 and attr store1 > 9.531 ) ((attr store1 < 4.678 and attr store1 > 4.618 ) and (bondedto (attr store1 < 110.463722631 and attr store1 > 109.663722631 ) or bondedto (attr store1 < 62.721 and attr store1 > 61.921 ) or bondedto (attr store1 < 14.9782773688 and attr store1 > 14.1782773688 ))) 6 0.1 0.1 peak 1763 volume 81.54427 ppm1 4.648 ppm2 9.581 ! ############### C13_CNnoesy_manual.1764 folded + assi (attr store1 < 4.698 and attr store1 > 4.598 ) ((attr store1 < 4.678 and attr store1 > 4.618 ) and (bondedto (attr store1 < 110.444722631 and attr store1 > 109.644722631 ) or bondedto (attr store1 < 62.702 and attr store1 > 61.902 ) or bondedto (attr store1 < 14.9592773688 and attr store1 > 14.1592773688 ))) 6 0.1 0.1 peak 1764 volume 298.01672 ppm1 4.648 ppm2 4.648 ! ############### C13_CNnoesy_manual.1765 folded + assi (attr store1 < 3.083 and attr store1 > 2.983 ) ((attr store1 < 4.677 and attr store1 > 4.617 ) and (bondedto (attr store1 < 110.424722631 and attr store1 > 109.624722631 ) or bondedto (attr store1 < 62.682 and attr store1 > 61.882 ) or bondedto (attr store1 < 14.9392773688 and attr store1 > 14.1392773688 ))) 6 0.1 0.1 peak 1765 volume 15.18711 ppm1 4.647 ppm2 3.033 ! ############### C13_CNnoesy_manual.1766 folded + assi (attr store1 < 2.569 and attr store1 > 2.469 ) ((attr store1 < 4.678 and attr store1 > 4.618 ) and (bondedto (attr store1 < 110.438722631 and attr store1 > 109.638722631 ) or bondedto (attr store1 < 62.696 and attr store1 > 61.896 ) or bondedto (attr store1 < 14.9532773688 and attr store1 > 14.1532773688 ))) 6 0.1 0.1 peak 1766 volume 48.81154 ppm1 4.648 ppm2 2.519 ! ############### C13_CNnoesy_manual.1767 folded + assi (attr store1 < 1.969 and attr store1 > 1.869 ) ((attr store1 < 4.677 and attr store1 > 4.617 ) and (bondedto (attr store1 < 110.453722631 and attr store1 > 109.653722631 ) or bondedto (attr store1 < 62.711 and attr store1 > 61.911 ) or bondedto (attr store1 < 14.9682773688 and attr store1 > 14.1682773688 ))) 6 0.1 0.1 peak 1767 volume 38.78382 ppm1 4.647 ppm2 1.919 ! ############### C13_CNnoesy_manual.1768 folded + assi (attr store1 < 1.833 and attr store1 > 1.733 ) ((attr store1 < 1.558 and attr store1 > 1.498 ) and (bondedto (attr store1 < 110.376722631 and attr store1 > 109.576722631 ) or bondedto (attr store1 < 62.634 and attr store1 > 61.834 ) or bondedto (attr store1 < 14.8912773688 and attr store1 > 14.0912773688 ))) 6 0.1 0.1 peak 1768 volume 6.47215 ppm1 1.528 ppm2 1.783 ! ############### C13_CNnoesy_manual.1769 folded - assi (attr store1 < 3.15 and attr store1 > 3.05 ) ((attr store1 < 3.126 and attr store1 > 3.066 ) and (bondedto (attr store1 < 134.279083947 and attr store1 > 133.479083947 ) or bondedto (attr store1 < 38.7936386844 and attr store1 > 37.9936386844 ))) 6 0.1 0.1 peak 1769 volume 88.84888 ppm1 3.096 ppm2 3.100 ! ############### C13_CNnoesy_manual.1770 folded - assi (attr store1 < 2.091 and attr store1 > 1.991 ) ((attr store1 < 2.957 and attr store1 > 2.897 ) and (bondedto (attr store1 < 134.262083947 and attr store1 > 133.462083947 ) or bondedto (attr store1 < 38.7766386844 and attr store1 > 37.9766386844 ))) 6 0.1 0.1 peak 1770 volume 19.49475 ppm1 2.927 ppm2 2.041 ! ############### C13_CNnoesy_manual.1771 folded - assi (attr store1 < 1.82 and attr store1 > 1.72 ) ((attr store1 < 2.955 and attr store1 > 2.895 ) and (bondedto (attr store1 < 134.246083947 and attr store1 > 133.446083947 ) or bondedto (attr store1 < 38.7606386844 and attr store1 > 37.9606386844 ))) 6 0.1 0.1 peak 1771 volume 15.61304 ppm1 2.925 ppm2 1.770 ! ############### C13_CNnoesy_manual.1772 folded - assi (attr store1 < 1.618 and attr store1 > 1.518 ) ((attr store1 < 2.955 and attr store1 > 2.895 ) and (bondedto (attr store1 < 134.285083947 and attr store1 > 133.485083947 ) or bondedto (attr store1 < 38.7996386844 and attr store1 > 37.9996386844 ))) 6 0.1 0.1 peak 1772 volume 24.87209 ppm1 2.925 ppm2 1.568 ! ############### C13_CNnoesy_manual.1773 folded - assi (attr store1 < 1.084 and attr store1 > 0.984 ) ((attr store1 < 2.955 and attr store1 > 2.895 ) and (bondedto (attr store1 < 134.254083947 and attr store1 > 133.454083947 ) or bondedto (attr store1 < 38.7686386844 and attr store1 > 37.9686386844 ))) 6 0.1 0.1 peak 1773 volume 14.28649 ppm1 2.925 ppm2 1.034 ! ############### C13_CNnoesy_manual.1774 folded - assi (attr store1 < 8.062 and attr store1 > 7.962 ) ((attr store1 < 2.119 and attr store1 > 2.059 ) and (bondedto (attr store1 < 134.279083947 and attr store1 > 133.479083947 ) or bondedto (attr store1 < 38.7936386844 and attr store1 > 37.9936386844 ))) 6 0.1 0.1 peak 1774 volume 26.87499 ppm1 2.089 ppm2 8.012 ! ############### C13_CNnoesy_manual.1775 folded - assi (attr store1 < 4.261 and attr store1 > 4.161 ) ((attr store1 < 2.12 and attr store1 > 2.06 ) and (bondedto (attr store1 < 134.303083947 and attr store1 > 133.503083947 ) or bondedto (attr store1 < 38.8176386844 and attr store1 > 38.0176386844 ))) 6 0.1 0.1 peak 1775 volume 31.03254 ppm1 2.090 ppm2 4.211 ! ############### C13_CNnoesy_manual.1776 folded - assi (attr store1 < 2.972 and attr store1 > 2.872 ) ((attr store1 < 2.118 and attr store1 > 2.058 ) and (bondedto (attr store1 < 134.266083947 and attr store1 > 133.466083947 ) or bondedto (attr store1 < 38.7806386844 and attr store1 > 37.9806386844 ))) 6 0.1 0.1 peak 1776 volume 8.21613 ppm1 2.088 ppm2 2.922 ! ############### C13_CNnoesy_manual.1777 folded - assi (attr store1 < 2.14 and attr store1 > 2.04 ) ((attr store1 < 2.12 and attr store1 > 2.06 ) and (bondedto (attr store1 < 134.268083947 and attr store1 > 133.468083947 ) or bondedto (attr store1 < 38.7826386844 and attr store1 > 37.9826386844 ))) 6 0.1 0.1 peak 1777 volume 219.9724 ppm1 2.090 ppm2 2.090 ! ############### C13_CNnoesy_manual.1778 folded - assi (attr store1 < 1.082 and attr store1 > 0.982 ) ((attr store1 < 2.119 and attr store1 > 2.059 ) and (bondedto (attr store1 < 134.302083947 and attr store1 > 133.502083947 ) or bondedto (attr store1 < 38.8166386844 and attr store1 > 38.0166386844 ))) 6 0.1 0.1 peak 1778 volume 55.11036 ppm1 2.089 ppm2 1.032 ! ############### C13_CNnoesy_manual.1779 folded - assi (attr store1 < 1.4 and attr store1 > 1.3 ) ((attr store1 < 1.737 and attr store1 > 1.677 ) and (bondedto (attr store1 < 134.322083947 and attr store1 > 133.522083947 ) or bondedto (attr store1 < 38.8366386844 and attr store1 > 38.0366386844 ))) 6 0.1 0.1 peak 1779 volume 15.9092 ppm1 1.707 ppm2 1.350 ! ############### C13_CNnoesy_manual.1780 folded + assi (attr store1 < 9.627 and attr store1 > 9.527 ) ((attr store1 < 0.977 and attr store1 > 0.917 ) and (bondedto (attr store1 < 110.339722631 and attr store1 > 109.539722631 ) or bondedto (attr store1 < 62.597 and attr store1 > 61.797 ) or bondedto (attr store1 < 14.8542773688 and attr store1 > 14.0542773688 ))) 6 0.1 0.1 peak 1780 volume 9.11431 ppm1 0.947 ppm2 9.577 ! ############### C13_CNnoesy_manual.1781 folded + assi (attr store1 < 9.264 and attr store1 > 9.164 ) ((attr store1 < 0.977 and attr store1 > 0.917 ) and (bondedto (attr store1 < 110.352722631 and attr store1 > 109.552722631 ) or bondedto (attr store1 < 62.61 and attr store1 > 61.81 ) or bondedto (attr store1 < 14.8672773688 and attr store1 > 14.0672773688 ))) 6 0.1 0.1 peak 1781 volume 7.54367 ppm1 0.947 ppm2 9.214 ! ############### C13_CNnoesy_manual.1782 folded + assi (attr store1 < 8.226 and attr store1 > 8.126 ) ((attr store1 < 0.971 and attr store1 > 0.911 ) and (bondedto (attr store1 < 110.353722631 and attr store1 > 109.553722631 ) or bondedto (attr store1 < 62.611 and attr store1 > 61.811 ) or bondedto (attr store1 < 14.8682773688 and attr store1 > 14.0682773688 ))) 6 0.1 0.1 peak 1782 volume 13.86312 ppm1 0.941 ppm2 8.176 ! ############### C13_CNnoesy_manual.1783 folded + assi (attr store1 < 7.363 and attr store1 > 7.263 ) ((attr store1 < 0.974 and attr store1 > 0.914 ) and (bondedto (attr store1 < 110.346722631 and attr store1 > 109.546722631 ) or bondedto (attr store1 < 62.604 and attr store1 > 61.804 ) or bondedto (attr store1 < 14.8612773688 and attr store1 > 14.0612773688 ))) 6 0.1 0.1 peak 1783 volume 21.76287 ppm1 0.944 ppm2 7.313 ! ############### C13_CNnoesy_manual.1784 folded + assi (attr store1 < 7.077 and attr store1 > 6.977 ) ((attr store1 < 0.974 and attr store1 > 0.914 ) and (bondedto (attr store1 < 110.349722631 and attr store1 > 109.549722631 ) or bondedto (attr store1 < 62.607 and attr store1 > 61.807 ) or bondedto (attr store1 < 14.8642773688 and attr store1 > 14.0642773688 ))) 6 0.1 0.1 peak 1784 volume 11.57481 ppm1 0.944 ppm2 7.027 ! ############### C13_CNnoesy_manual.1785 folded + assi (attr store1 < 5.523 and attr store1 > 5.423 ) ((attr store1 < 0.976 and attr store1 > 0.916 ) and (bondedto (attr store1 < 110.360722631 and attr store1 > 109.560722631 ) or bondedto (attr store1 < 62.618 and attr store1 > 61.818 ) or bondedto (attr store1 < 14.8752773688 and attr store1 > 14.0752773688 ))) 6 0.1 0.1 peak 1785 volume 10.03952 ppm1 0.946 ppm2 5.473 ! ############### C13_CNnoesy_manual.1786 folded + assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 0.973 and attr store1 > 0.913 ) and (bondedto (attr store1 < 110.351722631 and attr store1 > 109.551722631 ) or bondedto (attr store1 < 62.609 and attr store1 > 61.809 ) or bondedto (attr store1 < 14.8662773688 and attr store1 > 14.0662773688 ))) 6 0.1 0.1 peak 1786 volume 24.66079 ppm1 0.943 ppm2 4.837 ! ############### C13_CNnoesy_manual.1787 folded + assi (attr store1 < 4.137 and attr store1 > 4.037 ) ((attr store1 < 0.973 and attr store1 > 0.913 ) and (bondedto (attr store1 < 110.330722631 and attr store1 > 109.530722631 ) or bondedto (attr store1 < 62.588 and attr store1 > 61.788 ) or bondedto (attr store1 < 14.8452773688 and attr store1 > 14.0452773688 ))) 6 0.1 0.1 peak 1787 volume 35.68341 ppm1 0.943 ppm2 4.087 ! ############### C13_CNnoesy_manual.1788 folded + assi (attr store1 < 3.04 and attr store1 > 2.94 ) ((attr store1 < 0.976 and attr store1 > 0.916 ) and (bondedto (attr store1 < 110.354722631 and attr store1 > 109.554722631 ) or bondedto (attr store1 < 62.612 and attr store1 > 61.812 ) or bondedto (attr store1 < 14.8692773688 and attr store1 > 14.0692773688 ))) 6 0.1 0.1 peak 1788 volume 24.69890 ppm1 0.946 ppm2 2.990 ! ############### C13_CNnoesy_manual.1789 folded + assi (attr store1 < 1.931 and attr store1 > 1.831 ) ((attr store1 < 0.975 and attr store1 > 0.915 ) and (bondedto (attr store1 < 110.349722631 and attr store1 > 109.549722631 ) or bondedto (attr store1 < 62.607 and attr store1 > 61.807 ) or bondedto (attr store1 < 14.8642773688 and attr store1 > 14.0642773688 ))) 6 0.1 0.1 peak 1789 volume 82.49801 ppm1 0.945 ppm2 1.881 ! ############### C13_CNnoesy_manual.1790 folded + assi (attr store1 < 1.824 and attr store1 > 1.724 ) ((attr store1 < 0.975 and attr store1 > 0.915 ) and (bondedto (attr store1 < 110.343722631 and attr store1 > 109.543722631 ) or bondedto (attr store1 < 62.601 and attr store1 > 61.801 ) or bondedto (attr store1 < 14.8582773688 and attr store1 > 14.0582773688 ))) 6 0.1 0.1 peak 1790 volume 80.33886 ppm1 0.945 ppm2 1.774 ! ############### C13_CNnoesy_manual.1791 folded + assi (attr store1 < 1.262 and attr store1 > 1.162 ) ((attr store1 < 0.972 and attr store1 > 0.912 ) and (bondedto (attr store1 < 110.360722631 and attr store1 > 109.560722631 ) or bondedto (attr store1 < 62.618 and attr store1 > 61.818 ) or bondedto (attr store1 < 14.8752773688 and attr store1 > 14.0752773688 ))) 6 0.1 0.1 peak 1791 volume 32.50411 ppm1 0.942 ppm2 1.212 ! ############### C13_CNnoesy_manual.1792 folded + assi (attr store1 < 0.993 and attr store1 > 0.893 ) ((attr store1 < 0.974 and attr store1 > 0.914 ) and (bondedto (attr store1 < 110.331722631 and attr store1 > 109.531722631 ) or bondedto (attr store1 < 62.589 and attr store1 > 61.789 ) or bondedto (attr store1 < 14.8462773688 and attr store1 > 14.0462773688 ))) 6 0.1 0.1 peak 1792 volume 2805.81128 ppm1 0.944 ppm2 0.943 ! ############### C13_CNnoesy_manual.1793 folded + assi (attr store1 < 0.694 and attr store1 > 0.594 ) ((attr store1 < 0.975 and attr store1 > 0.915 ) and (bondedto (attr store1 < 110.339722631 and attr store1 > 109.539722631 ) or bondedto (attr store1 < 62.597 and attr store1 > 61.797 ) or bondedto (attr store1 < 14.8542773688 and attr store1 > 14.0542773688 ))) 6 0.1 0.1 peak 1793 volume 161.26797 ppm1 0.945 ppm2 0.644 ! ############### C13_CNnoesy_manual.1794 folded + assi (attr store1 < 8.518 and attr store1 > 8.418 ) ((attr store1 < 0.966 and attr store1 > 0.906 ) and (bondedto (attr store1 < 110.340722631 and attr store1 > 109.540722631 ) or bondedto (attr store1 < 62.598 and attr store1 > 61.798 ) or bondedto (attr store1 < 14.8552773688 and attr store1 > 14.0552773688 ))) 6 0.1 0.1 peak 1794 volume 7.45771 ppm1 0.936 ppm2 8.468 ! ############### C13_CNnoesy_manual.1795 folded - assi (attr store1 < 8.722 and attr store1 > 8.622 ) ((attr store1 < 2.957 and attr store1 > 2.897 ) and (bondedto (attr store1 < 134.193083947 and attr store1 > 133.393083947 ) or bondedto (attr store1 < 38.7076386844 and attr store1 > 37.9076386844 ))) 6 0.1 0.1 peak 1795 volume 8.8555 ppm1 2.927 ppm2 8.672 ! ############### C13_CNnoesy_manual.1796 folded - assi (attr store1 < 8.064 and attr store1 > 7.964 ) ((attr store1 < 2.959 and attr store1 > 2.899 ) and (bondedto (attr store1 < 134.218083947 and attr store1 > 133.418083947 ) or bondedto (attr store1 < 38.7326386844 and attr store1 > 37.9326386844 ))) 6 0.1 0.1 peak 1796 volume 123.69585 ppm1 2.929 ppm2 8.014 ! ############### C13_CNnoesy_manual.1797 folded - assi (attr store1 < 7.786 and attr store1 > 7.686 ) ((attr store1 < 2.958 and attr store1 > 2.898 ) and (bondedto (attr store1 < 134.212083947 and attr store1 > 133.412083947 ) or bondedto (attr store1 < 38.7266386844 and attr store1 > 37.9266386844 ))) 6 0.1 0.1 peak 1797 volume 10.92447 ppm1 2.928 ppm2 7.736 ! ############### C13_CNnoesy_manual.1798 folded - assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 2.95 and attr store1 > 2.89 ) and (bondedto (attr store1 < 134.182083947 and attr store1 > 133.382083947 ) or bondedto (attr store1 < 38.6966386844 and attr store1 > 37.8966386844 ))) 6 0.1 0.1 peak 1798 volume 29.79248 ppm1 2.920 ppm2 4.837 ! ############### C13_CNnoesy_manual.1799 folded - assi (attr store1 < 4.52 and attr store1 > 4.42 ) ((attr store1 < 2.959 and attr store1 > 2.899 ) and (bondedto (attr store1 < 134.233083947 and attr store1 > 133.433083947 ) or bondedto (attr store1 < 38.7476386844 and attr store1 > 37.9476386844 ))) 6 0.1 0.1 peak 1799 volume 91.35234 ppm1 2.929 ppm2 4.470 ! ############### C13_CNnoesy_manual.1800 folded - assi (attr store1 < 4.215 and attr store1 > 4.115 ) ((attr store1 < 2.958 and attr store1 > 2.898 ) and (bondedto (attr store1 < 134.238083947 and attr store1 > 133.438083947 ) or bondedto (attr store1 < 38.7526386844 and attr store1 > 37.9526386844 ))) 6 0.1 0.1 peak 1800 volume 53.07336 ppm1 2.928 ppm2 4.165 ! ############### C13_CNnoesy_manual.1801 folded - assi (attr store1 < 2.978 and attr store1 > 2.878 ) ((attr store1 < 2.959 and attr store1 > 2.899 ) and (bondedto (attr store1 < 134.214083947 and attr store1 > 133.414083947 ) or bondedto (attr store1 < 38.7286386844 and attr store1 > 37.9286386844 ))) 6 0.1 0.1 peak 1801 volume 1574.48682 ppm1 2.929 ppm2 2.928 ! ############### C13_CNnoesy_manual.1802 folded - assi (attr store1 < 3.533 and attr store1 > 3.433 ) ((attr store1 < 2.118 and attr store1 > 2.058 ) and (bondedto (attr store1 < 134.201083947 and attr store1 > 133.401083947 ) or bondedto (attr store1 < 38.7156386844 and attr store1 > 37.9156386844 ))) 6 0.1 0.1 peak 1802 volume 14.85269 ppm1 2.088 ppm2 3.483 ! ############### C13_CNnoesy_manual.1803 folded - assi (attr store1 < 1.578 and attr store1 > 1.478 ) ((attr store1 < 2.117 and attr store1 > 2.057 ) and (bondedto (attr store1 < 134.202083947 and attr store1 > 133.402083947 ) or bondedto (attr store1 < 38.7166386844 and attr store1 > 37.9166386844 ))) 6 0.1 0.1 peak 1803 volume 9.14275 ppm1 2.087 ppm2 1.528 ! ############### C13_CNnoesy_manual.1804 folded - assi (attr store1 < 0.948 and attr store1 > 0.848 ) ((attr store1 < 2.119 and attr store1 > 2.059 ) and (bondedto (attr store1 < 134.150083947 and attr store1 > 133.350083947 ) or bondedto (attr store1 < 38.6646386844 and attr store1 > 37.8646386844 ))) 6 0.1 0.1 peak 1804 volume 69.81594 ppm1 2.089 ppm2 0.898 ! ############### C13_CNnoesy_manual.1805 folded + assi (attr store1 < 8.697 and attr store1 > 8.597 ) ((attr store1 < 4.067 and attr store1 > 4.007 ) and (bondedto (attr store1 < 110.152722631 and attr store1 > 109.352722631 ) or bondedto (attr store1 < 62.41 and attr store1 > 61.61 ) or bondedto (attr store1 < 14.6672773688 and attr store1 > 13.8672773688 ))) 6 0.1 0.1 peak 1805 volume 6.28580 ppm1 4.037 ppm2 8.647 ! ############### C13_CNnoesy_manual.1806 folded + assi (attr store1 < 8.518 and attr store1 > 8.418 ) ((attr store1 < 4.066 and attr store1 > 4.006 ) and (bondedto (attr store1 < 110.174722631 and attr store1 > 109.374722631 ) or bondedto (attr store1 < 62.432 and attr store1 > 61.632 ) or bondedto (attr store1 < 14.6892773688 and attr store1 > 13.8892773688 ))) 6 0.1 0.1 peak 1806 volume 19.29723 ppm1 4.036 ppm2 8.468 ! ############### C13_CNnoesy_manual.1807 folded + assi (attr store1 < 8.053 and attr store1 > 7.953 ) ((attr store1 < 4.066 and attr store1 > 4.006 ) and (bondedto (attr store1 < 110.154722631 and attr store1 > 109.354722631 ) or bondedto (attr store1 < 62.412 and attr store1 > 61.612 ) or bondedto (attr store1 < 14.6692773688 and attr store1 > 13.8692773688 ))) 6 0.1 0.1 peak 1807 volume 31.85578 ppm1 4.036 ppm2 8.003 ! ############### C13_CNnoesy_manual.1808 folded + assi (attr store1 < 2.284 and attr store1 > 2.184 ) ((attr store1 < 4.065 and attr store1 > 4.005 ) and (bondedto (attr store1 < 110.129722631 and attr store1 > 109.329722631 ) or bondedto (attr store1 < 62.387 and attr store1 > 61.587 ) or bondedto (attr store1 < 14.6442773688 and attr store1 > 13.8442773688 ))) 6 0.1 0.1 peak 1808 volume 37.86767 ppm1 4.035 ppm2 2.234 ! ############### C13_CNnoesy_manual.1809 folded + assi (attr store1 < 2.031 and attr store1 > 1.931 ) ((attr store1 < 4.066 and attr store1 > 4.006 ) and (bondedto (attr store1 < 110.122722631 and attr store1 > 109.322722631 ) or bondedto (attr store1 < 62.38 and attr store1 > 61.58 ) or bondedto (attr store1 < 14.6372773688 and attr store1 > 13.8372773688 ))) 6 0.1 0.1 peak 1809 volume 55.48894 ppm1 4.036 ppm2 1.981 ! ############### C13_CNnoesy_manual.1810 folded + assi (attr store1 < 1.154 and attr store1 > 1.054 ) ((attr store1 < 4.065 and attr store1 > 4.005 ) and (bondedto (attr store1 < 110.137722631 and attr store1 > 109.337722631 ) or bondedto (attr store1 < 62.395 and attr store1 > 61.595 ) or bondedto (attr store1 < 14.6522773688 and attr store1 > 13.8522773688 ))) 6 0.1 0.1 peak 1810 volume 52.43208 ppm1 4.035 ppm2 1.104 ! ############### C13_CNnoesy_manual.1811 folded + assi (attr store1 < 1.007 and attr store1 > 0.907 ) ((attr store1 < 4.065 and attr store1 > 4.005 ) and (bondedto (attr store1 < 110.114722631 and attr store1 > 109.314722631 ) or bondedto (attr store1 < 62.372 and attr store1 > 61.572 ) or bondedto (attr store1 < 14.6292773688 and attr store1 > 13.8292773688 ))) 6 0.1 0.1 peak 1811 volume 32.01732 ppm1 4.035 ppm2 0.957 ! ############### C13_CNnoesy_manual.1812 folded + assi (attr store1 < 0.798 and attr store1 > 0.698 ) ((attr store1 < 4.066 and attr store1 > 4.006 ) and (bondedto (attr store1 < 110.124722631 and attr store1 > 109.324722631 ) or bondedto (attr store1 < 62.382 and attr store1 > 61.582 ) or bondedto (attr store1 < 14.6392773688 and attr store1 > 13.8392773688 ))) 6 0.1 0.1 peak 1812 volume 86.28067 ppm1 4.036 ppm2 0.748 ! ############### C13_CNnoesy_manual.1813 folded - assi (attr store1 < 8.009 and attr store1 > 7.909 ) ((attr store1 < 3.134 and attr store1 > 3.074 ) and (bondedto (attr store1 < 134.021083947 and attr store1 > 133.221083947 ) or bondedto (attr store1 < 38.5356386844 and attr store1 > 37.7356386844 ))) 6 0.1 0.1 peak 1813 volume 17.2159 ppm1 3.104 ppm2 7.959 ! ############### C13_CNnoesy_manual.1814 folded - assi (attr store1 < 6.56 and attr store1 > 6.46 ) ((attr store1 < 3.131 and attr store1 > 3.071 ) and (bondedto (attr store1 < 134.003083947 and attr store1 > 133.203083947 ) or bondedto (attr store1 < 38.5176386844 and attr store1 > 37.7176386844 ))) 6 0.1 0.1 peak 1814 volume 7.13471 ppm1 3.101 ppm2 6.510 ! ############### C13_CNnoesy_manual.1815 folded - assi (attr store1 < 5.146 and attr store1 > 5.046 ) ((attr store1 < 3.134 and attr store1 > 3.074 ) and (bondedto (attr store1 < 134.005083947 and attr store1 > 133.205083947 ) or bondedto (attr store1 < 38.5196386844 and attr store1 > 37.7196386844 ))) 6 0.1 0.1 peak 1815 volume 14.24353 ppm1 3.104 ppm2 5.096 ! ############### C13_CNnoesy_manual.1816 folded - assi (attr store1 < 4.887 and attr store1 > 4.787 ) ((attr store1 < 3.131 and attr store1 > 3.071 ) and (bondedto (attr store1 < 134.036083947 and attr store1 > 133.236083947 ) or bondedto (attr store1 < 38.5506386844 and attr store1 > 37.7506386844 ))) 6 0.1 0.1 peak 1816 volume 18.48155 ppm1 3.101 ppm2 4.837 ! ############### C13_CNnoesy_manual.1817 folded - assi (attr store1 < 2.953 and attr store1 > 2.853 ) ((attr store1 < 3.135 and attr store1 > 3.075 ) and (bondedto (attr store1 < 133.999083947 and attr store1 > 133.199083947 ) or bondedto (attr store1 < 38.5136386844 and attr store1 > 37.7136386844 ))) 6 0.1 0.1 peak 1817 volume 116.14264 ppm1 3.105 ppm2 2.903 ! ############### C13_CNnoesy_manual.1818 folded - assi (attr store1 < 1.091 and attr store1 > 0.991 ) ((attr store1 < 3.136 and attr store1 > 3.076 ) and (bondedto (attr store1 < 134.009083947 and attr store1 > 133.209083947 ) or bondedto (attr store1 < 38.5236386844 and attr store1 > 37.7236386844 ))) 6 0.1 0.1 peak 1818 volume 9.46931 ppm1 3.106 ppm2 1.041 ! ############### C13_CNnoesy_manual.1819 folded - assi (attr store1 < 1.763 and attr store1 > 1.663 ) ((attr store1 < 3.127 and attr store1 > 3.067 ) and (bondedto (attr store1 < 133.988083947 and attr store1 > 133.188083947 ) or bondedto (attr store1 < 38.5026386844 and attr store1 > 37.7026386844 ))) 6 0.1 0.1 peak 1819 volume 9.66114 ppm1 3.097 ppm2 1.713 ! ############### C13_CNnoesy_manual.1820 folded - assi (attr store1 < 6.561 and attr store1 > 6.461 ) ((attr store1 < 2.935 and attr store1 > 2.875 ) and (bondedto (attr store1 < 133.986083947 and attr store1 > 133.186083947 ) or bondedto (attr store1 < 38.5006386844 and attr store1 > 37.7006386844 ))) 6 0.1 0.1 peak 1820 volume 8.80709 ppm1 2.905 ppm2 6.511 ! ############### C13_CNnoesy_manual.1821 folded - assi (attr store1 < 3.151 and attr store1 > 3.051 ) ((attr store1 < 2.937 and attr store1 > 2.877 ) and (bondedto (attr store1 < 134.037083947 and attr store1 > 133.237083947 ) or bondedto (attr store1 < 38.5516386844 and attr store1 > 37.7516386844 ))) 6 0.1 0.1 peak 1821 volume 128.47701 ppm1 2.907 ppm2 3.101 ! ############### C13_CNnoesy_manual.1822 folded - assi (attr store1 < 5.148 and attr store1 > 5.048 ) ((attr store1 < 2.93 and attr store1 > 2.87 ) and (bondedto (attr store1 < 133.998083947 and attr store1 > 133.198083947 ) or bondedto (attr store1 < 38.5126386844 and attr store1 > 37.7126386844 ))) 6 0.1 0.1 peak 1822 volume 18.55863 ppm1 2.900 ppm2 5.098 ! ############### C13_CNnoesy_manual.1823 folded - assi (attr store1 < 4.105 and attr store1 > 4.005 ) ((attr store1 < 2.215 and attr store1 > 2.155 ) and (bondedto (attr store1 < 134.002083947 and attr store1 > 133.202083947 ) or bondedto (attr store1 < 38.5166386844 and attr store1 > 37.7166386844 ))) 6 0.1 0.1 peak 1823 volume 6.80014 ppm1 2.185 ppm2 4.055 ! ############### C13_CNnoesy_manual.1824 folded + assi (attr store1 < 3.921 and attr store1 > 3.821 ) ((attr store1 < 4.069 and attr store1 > 4.009 ) and (bondedto (attr store1 < 110.027722631 and attr store1 > 109.227722631 ) or bondedto (attr store1 < 62.285 and attr store1 > 61.485 ) or bondedto (attr store1 < 14.5422773688 and attr store1 > 13.7422773688 ))) 6 0.1 0.1 peak 1824 volume 19.33508 ppm1 4.039 ppm2 3.871 ! ############### C13_CNnoesy_manual.1825 folded + assi (attr store1 < 8.199 and attr store1 > 8.099 ) ((attr store1 < 4.064 and attr store1 > 4.004 ) and (bondedto (attr store1 < 110.035722631 and attr store1 > 109.235722631 ) or bondedto (attr store1 < 62.293 and attr store1 > 61.493 ) or bondedto (attr store1 < 14.5502773688 and attr store1 > 13.7502773688 ))) 6 0.1 0.1 peak 1825 volume 15.17231 ppm1 4.034 ppm2 8.149 ! ############### C13_CNnoesy_manual.1826 folded + assi (attr store1 < 7.028 and attr store1 > 6.928 ) ((attr store1 < 4.064 and attr store1 > 4.004 ) and (bondedto (attr store1 < 110.010722631 and attr store1 > 109.210722631 ) or bondedto (attr store1 < 62.268 and attr store1 > 61.468 ) or bondedto (attr store1 < 14.5252773688 and attr store1 > 13.7252773688 ))) 6 0.1 0.1 peak 1826 volume 32.63519 ppm1 4.034 ppm2 6.978 ! ############### C13_CNnoesy_manual.1827 folded + assi (attr store1 < 4.25 and attr store1 > 4.15 ) ((attr store1 < 4.058 and attr store1 > 3.998 ) and (bondedto (attr store1 < 110.083722631 and attr store1 > 109.283722631 ) or bondedto (attr store1 < 62.341 and attr store1 > 61.541 ) or bondedto (attr store1 < 14.5982773688 and attr store1 > 13.7982773688 ))) 6 0.1 0.1 peak 1827 volume 24.23263 ppm1 4.028 ppm2 4.200 ! ############### C13_CNnoesy_manual.1828 folded + assi (attr store1 < 4.089 and attr store1 > 3.989 ) ((attr store1 < 4.066 and attr store1 > 4.006 ) and (bondedto (attr store1 < 110.089722631 and attr store1 > 109.289722631 ) or bondedto (attr store1 < 62.347 and attr store1 > 61.547 ) or bondedto (attr store1 < 14.6042773688 and attr store1 > 13.8042773688 ))) 6 0.1 0.1 peak 1828 volume 692.18634 ppm1 4.036 ppm2 4.039 ! ############### C13_CNnoesy_manual.1829 folded + assi (attr store1 < 1.441 and attr store1 > 1.341 ) ((attr store1 < 4.064 and attr store1 > 4.004 ) and (bondedto (attr store1 < 110.001722631 and attr store1 > 109.201722631 ) or bondedto (attr store1 < 62.259 and attr store1 > 61.459 ) or bondedto (attr store1 < 14.5162773688 and attr store1 > 13.7162773688 ))) 6 0.1 0.1 peak 1829 volume 51.74430 ppm1 4.034 ppm2 1.391 ! ############### C13_CNnoesy_manual.1830 folded + assi (attr store1 < 3.862 and attr store1 > 3.762 ) ((attr store1 < 0.939 and attr store1 > 0.879 ) and (bondedto (attr store1 < 110.087722631 and attr store1 > 109.287722631 ) or bondedto (attr store1 < 62.345 and attr store1 > 61.545 ) or bondedto (attr store1 < 14.6022773688 and attr store1 > 13.8022773688 ))) 6 0.1 0.1 peak 1830 volume 17.18027 ppm1 0.909 ppm2 3.812 ! ############### C13_CNnoesy_manual.1831 folded + assi (attr store1 < 0.957 and attr store1 > 0.857 ) ((attr store1 < 0.94 and attr store1 > 0.88 ) and (bondedto (attr store1 < 110.041722631 and attr store1 > 109.241722631 ) or bondedto (attr store1 < 62.299 and attr store1 > 61.499 ) or bondedto (attr store1 < 14.5562773688 and attr store1 > 13.7562773688 ))) 6 0.1 0.1 peak 1831 volume 2205.44385 ppm1 0.910 ppm2 0.907 ! ############### C13_CNnoesy_manual.1832 folded - assi (attr store1 < 8.519 and attr store1 > 8.419 ) ((attr store1 < 2.219 and attr store1 > 2.159 ) and (bondedto (attr store1 < 133.896083947 and attr store1 > 133.096083947 ) or bondedto (attr store1 < 38.4106386844 and attr store1 > 37.6106386844 ))) 6 0.1 0.1 peak 1832 volume 24.27516 ppm1 2.189 ppm2 8.469 ! ############### C13_CNnoesy_manual.1833 folded - assi (attr store1 < 8.225 and attr store1 > 8.125 ) ((attr store1 < 2.22 and attr store1 > 2.16 ) and (bondedto (attr store1 < 133.909083947 and attr store1 > 133.109083947 ) or bondedto (attr store1 < 38.4236386844 and attr store1 > 37.6236386844 ))) 6 0.1 0.1 peak 1833 volume 47.67157 ppm1 2.190 ppm2 8.175 ! ############### C13_CNnoesy_manual.1834 folded - assi (attr store1 < 8.074 and attr store1 > 7.974 ) ((attr store1 < 2.217 and attr store1 > 2.157 ) and (bondedto (attr store1 < 133.910083947 and attr store1 > 133.110083947 ) or bondedto (attr store1 < 38.4246386844 and attr store1 > 37.6246386844 ))) 6 0.1 0.1 peak 1834 volume 7.86171 ppm1 2.187 ppm2 8.024 ! ############### C13_CNnoesy_manual.1835 folded - assi (attr store1 < 3.866 and attr store1 > 3.766 ) ((attr store1 < 2.22 and attr store1 > 2.16 ) and (bondedto (attr store1 < 133.923083947 and attr store1 > 133.123083947 ) or bondedto (attr store1 < 38.4376386844 and attr store1 > 37.6376386844 ))) 6 0.1 0.1 peak 1835 volume 19.76744 ppm1 2.190 ppm2 3.816 ! ############### C13_CNnoesy_manual.1836 folded - assi (attr store1 < 3.583 and attr store1 > 3.483 ) ((attr store1 < 2.22 and attr store1 > 2.16 ) and (bondedto (attr store1 < 133.909083947 and attr store1 > 133.109083947 ) or bondedto (attr store1 < 38.4236386844 and attr store1 > 37.6236386844 ))) 6 0.1 0.1 peak 1836 volume 19.94503 ppm1 2.190 ppm2 3.533 ! ############### C13_CNnoesy_manual.1837 folded - assi (attr store1 < 2.238 and attr store1 > 2.138 ) ((attr store1 < 2.22 and attr store1 > 2.16 ) and (bondedto (attr store1 < 133.886083947 and attr store1 > 133.086083947 ) or bondedto (attr store1 < 38.4006386844 and attr store1 > 37.6006386844 ))) 6 0.1 0.1 peak 1837 volume 244.23865 ppm1 2.190 ppm2 2.188 ! ############### C13_CNnoesy_manual.1838 folded - assi (attr store1 < 1.963 and attr store1 > 1.863 ) ((attr store1 < 2.22 and attr store1 > 2.16 ) and (bondedto (attr store1 < 133.903083947 and attr store1 > 133.103083947 ) or bondedto (attr store1 < 38.4176386844 and attr store1 > 37.6176386844 ))) 6 0.1 0.1 peak 1838 volume 36.26035 ppm1 2.190 ppm2 1.913 ! ############### C13_CNnoesy_manual.1839 folded - assi (attr store1 < 1.261 and attr store1 > 1.161 ) ((attr store1 < 2.217 and attr store1 > 2.157 ) and (bondedto (attr store1 < 133.917083947 and attr store1 > 133.117083947 ) or bondedto (attr store1 < 38.4316386844 and attr store1 > 37.6316386844 ))) 6 0.1 0.1 peak 1839 volume 17.85386 ppm1 2.187 ppm2 1.211 ! ############### C13_CNnoesy_manual.1840 folded - assi (attr store1 < 1.094 and attr store1 > 0.994 ) ((attr store1 < 2.219 and attr store1 > 2.159 ) and (bondedto (attr store1 < 133.908083947 and attr store1 > 133.108083947 ) or bondedto (attr store1 < 38.4226386844 and attr store1 > 37.6226386844 ))) 6 0.1 0.1 peak 1840 volume 59.94011 ppm1 2.189 ppm2 1.044 ! ############### C13_CNnoesy_manual.1841 folded - assi (attr store1 < 0.939 and attr store1 > 0.839 ) ((attr store1 < 2.219 and attr store1 > 2.159 ) and (bondedto (attr store1 < 133.904083947 and attr store1 > 133.104083947 ) or bondedto (attr store1 < 38.4186386844 and attr store1 > 37.6186386844 ))) 6 0.1 0.1 peak 1841 volume 57.94396 ppm1 2.189 ppm2 0.889 ! ############### C13_CNnoesy_manual.1842 folded + assi (attr store1 < 4.154 and attr store1 > 4.054 ) ((attr store1 < 4.125 and attr store1 > 4.065 ) and (bondedto (attr store1 < 109.918722631 and attr store1 > 109.118722631 ) or bondedto (attr store1 < 62.176 and attr store1 > 61.376 ) or bondedto (attr store1 < 14.4332773688 and attr store1 > 13.6332773688 ))) 6 0.1 0.1 peak 1842 volume 514.87329 ppm1 4.095 ppm2 4.104 ! ############### C13_CNnoesy_manual.1843 folded + assi (attr store1 < 1.637 and attr store1 > 1.537 ) ((attr store1 < 4.129 and attr store1 > 4.069 ) and (bondedto (attr store1 < 109.919722631 and attr store1 > 109.119722631 ) or bondedto (attr store1 < 62.177 and attr store1 > 61.377 ) or bondedto (attr store1 < 14.4342773688 and attr store1 > 13.6342773688 ))) 6 0.1 0.1 peak 1843 volume 17.64777 ppm1 4.099 ppm2 1.587 ! ############### C13_CNnoesy_manual.1844 folded + assi (attr store1 < 7.892 and attr store1 > 7.792 ) ((attr store1 < 4.065 and attr store1 > 4.005 ) and (bondedto (attr store1 < 109.965722631 and attr store1 > 109.165722631 ) or bondedto (attr store1 < 62.223 and attr store1 > 61.423 ) or bondedto (attr store1 < 14.4802773688 and attr store1 > 13.6802773688 ))) 6 0.1 0.1 peak 1844 volume 6.24026 ppm1 4.035 ppm2 7.842 ! ############### C13_CNnoesy_manual.1845 folded + assi (attr store1 < 3.348 and attr store1 > 3.248 ) ((attr store1 < 4.066 and attr store1 > 4.006 ) and (bondedto (attr store1 < 109.968722631 and attr store1 > 109.168722631 ) or bondedto (attr store1 < 62.226 and attr store1 > 61.426 ) or bondedto (attr store1 < 14.4832773688 and attr store1 > 13.6832773688 ))) 6 0.1 0.1 peak 1845 volume 42.02603 ppm1 4.036 ppm2 3.298 ! ############### C13_CNnoesy_manual.1846 folded + assi (attr store1 < 3.091 and attr store1 > 2.991 ) ((attr store1 < 4.065 and attr store1 > 4.005 ) and (bondedto (attr store1 < 109.970722631 and attr store1 > 109.170722631 ) or bondedto (attr store1 < 62.228 and attr store1 > 61.428 ) or bondedto (attr store1 < 14.4852773688 and attr store1 > 13.6852773688 ))) 6 0.1 0.1 peak 1846 volume 24.63235 ppm1 4.035 ppm2 3.041 ! ############### C13_CNnoesy_manual.1847 folded + assi (attr store1 < 4.474 and attr store1 > 4.374 ) ((attr store1 < 0.943 and attr store1 > 0.883 ) and (bondedto (attr store1 < 109.978722631 and attr store1 > 109.178722631 ) or bondedto (attr store1 < 62.236 and attr store1 > 61.436 ) or bondedto (attr store1 < 14.4932773688 and attr store1 > 13.6932773688 ))) 6 0.1 0.1 peak 1847 volume 13.09925 ppm1 0.913 ppm2 4.424 ! ############### C13_CNnoesy_manual.1848 folded + assi (attr store1 < 3.525 and attr store1 > 3.425 ) ((attr store1 < 0.941 and attr store1 > 0.881 ) and (bondedto (attr store1 < 109.971722631 and attr store1 > 109.171722631 ) or bondedto (attr store1 < 62.229 and attr store1 > 61.429 ) or bondedto (attr store1 < 14.4862773688 and attr store1 > 13.6862773688 ))) 6 0.1 0.1 peak 1848 volume 31.91122 ppm1 0.911 ppm2 3.475 ! ############### C13_CNnoesy_manual.1849 folded + assi (attr store1 < 3.271 and attr store1 > 3.171 ) ((attr store1 < 0.944 and attr store1 > 0.884 ) and (bondedto (attr store1 < 109.982722631 and attr store1 > 109.182722631 ) or bondedto (attr store1 < 62.24 and attr store1 > 61.44 ) or bondedto (attr store1 < 14.4972773688 and attr store1 > 13.6972773688 ))) 6 0.1 0.1 peak 1849 volume 9.30200 ppm1 0.914 ppm2 3.221 ! ############### C13_CNnoesy_manual.1850 folded + assi (attr store1 < 2.916 and attr store1 > 2.816 ) ((attr store1 < 0.942 and attr store1 > 0.882 ) and (bondedto (attr store1 < 109.968722631 and attr store1 > 109.168722631 ) or bondedto (attr store1 < 62.226 and attr store1 > 61.426 ) or bondedto (attr store1 < 14.4832773688 and attr store1 > 13.6832773688 ))) 6 0.1 0.1 peak 1850 volume 21.02862 ppm1 0.912 ppm2 2.866 ! ############### C13_CNnoesy_manual.1851 folded + assi (attr store1 < 2.637 and attr store1 > 2.537 ) ((attr store1 < 0.942 and attr store1 > 0.882 ) and (bondedto (attr store1 < 109.961722631 and attr store1 > 109.161722631 ) or bondedto (attr store1 < 62.219 and attr store1 > 61.419 ) or bondedto (attr store1 < 14.4762773688 and attr store1 > 13.6762773688 ))) 6 0.1 0.1 peak 1851 volume 28.66634 ppm1 0.912 ppm2 2.587 ! ############### C13_CNnoesy_manual.1852 folded + assi (attr store1 < 2.462 and attr store1 > 2.362 ) ((attr store1 < 0.941 and attr store1 > 0.881 ) and (bondedto (attr store1 < 109.978722631 and attr store1 > 109.178722631 ) or bondedto (attr store1 < 62.236 and attr store1 > 61.436 ) or bondedto (attr store1 < 14.4932773688 and attr store1 > 13.6932773688 ))) 6 0.1 0.1 peak 1852 volume 44.62107 ppm1 0.911 ppm2 2.412 ! ############### C13_CNnoesy_manual.1853 folded + assi (attr store1 < 8.752 and attr store1 > 8.652 ) ((attr store1 < 0.94 and attr store1 > 0.88 ) and (bondedto (attr store1 < 109.955722631 and attr store1 > 109.155722631 ) or bondedto (attr store1 < 62.213 and attr store1 > 61.413 ) or bondedto (attr store1 < 14.4702773688 and attr store1 > 13.6702773688 ))) 6 0.1 0.1 peak 1853 volume 45.44736 ppm1 0.910 ppm2 8.702 ! ############### C13_CNnoesy_manual.1854 folded + assi (attr store1 < 4.259 and attr store1 > 4.159 ) ((attr store1 < 0.939 and attr store1 > 0.879 ) and (bondedto (attr store1 < 109.968722631 and attr store1 > 109.168722631 ) or bondedto (attr store1 < 62.226 and attr store1 > 61.426 ) or bondedto (attr store1 < 14.4832773688 and attr store1 > 13.6832773688 ))) 6 0.1 0.1 peak 1854 volume 82.04188 ppm1 0.909 ppm2 4.209 ! ############### C13_CNnoesy_manual.1855 folded + assi (attr store1 < 4.083 and attr store1 > 3.983 ) ((attr store1 < 0.94 and attr store1 > 0.88 ) and (bondedto (attr store1 < 109.967722631 and attr store1 > 109.167722631 ) or bondedto (attr store1 < 62.225 and attr store1 > 61.425 ) or bondedto (attr store1 < 14.4822773688 and attr store1 > 13.6822773688 ))) 6 0.1 0.1 peak 1855 volume 77.16647 ppm1 0.910 ppm2 4.033 ! ############### C13_CNnoesy_manual.1856 folded + assi (attr store1 < 2.07 and attr store1 > 1.97 ) ((attr store1 < 0.939 and attr store1 > 0.879 ) and (bondedto (attr store1 < 109.974722631 and attr store1 > 109.174722631 ) or bondedto (attr store1 < 62.232 and attr store1 > 61.432 ) or bondedto (attr store1 < 14.4892773688 and attr store1 > 13.6892773688 ))) 6 0.1 0.1 peak 1856 volume 191.87807 ppm1 0.909 ppm2 2.020 ! ############### C13_CNnoesy_manual.1857 folded + assi (attr store1 < 1.595 and attr store1 > 1.495 ) ((attr store1 < 0.939 and attr store1 > 0.879 ) and (bondedto (attr store1 < 109.971722631 and attr store1 > 109.171722631 ) or bondedto (attr store1 < 62.229 and attr store1 > 61.429 ) or bondedto (attr store1 < 14.4862773688 and attr store1 > 13.6862773688 ))) 6 0.1 0.1 peak 1857 volume 87.69627 ppm1 0.909 ppm2 1.545 ! ############### C13_CNnoesy_manual.1858 folded - assi (attr store1 < 8.049 and attr store1 > 7.949 ) ((attr store1 < 2.121 and attr store1 > 2.061 ) and (bondedto (attr store1 < 133.801083947 and attr store1 > 133.001083947 ) or bondedto (attr store1 < 38.3156386844 and attr store1 > 37.5156386844 ))) 6 0.1 0.1 peak 1858 volume 22.61484 ppm1 2.091 ppm2 7.999 ! ############### C13_CNnoesy_manual.1859 folded + assi (attr store1 < 8.333 and attr store1 > 8.233 ) ((attr store1 < 4.133 and attr store1 > 4.073 ) and (bondedto (attr store1 < 109.879722631 and attr store1 > 109.079722631 ) or bondedto (attr store1 < 62.137 and attr store1 > 61.337 ) or bondedto (attr store1 < 14.3942773688 and attr store1 > 13.5942773688 ))) 6 0.1 0.1 peak 1859 volume 9.85550 ppm1 4.103 ppm2 8.283 ! ############### C13_CNnoesy_manual.1860 folded + assi (attr store1 < 7.548 and attr store1 > 7.448 ) ((attr store1 < 3.982 and attr store1 > 3.922 ) and (bondedto (attr store1 < 109.816722631 and attr store1 > 109.016722631 ) or bondedto (attr store1 < 62.074 and attr store1 > 61.274 ) or bondedto (attr store1 < 14.3312773688 and attr store1 > 13.5312773688 ))) 6 0.1 0.1 peak 1860 volume 11.93738 ppm1 3.952 ppm2 7.498 ! ############### C13_CNnoesy_manual.1861 folded + assi (attr store1 < 7.265 and attr store1 > 7.165 ) ((attr store1 < 3.983 and attr store1 > 3.923 ) and (bondedto (attr store1 < 109.842722631 and attr store1 > 109.042722631 ) or bondedto (attr store1 < 62.1 and attr store1 > 61.3 ) or bondedto (attr store1 < 14.3572773688 and attr store1 > 13.5572773688 ))) 6 0.1 0.1 peak 1861 volume 6.74911 ppm1 3.953 ppm2 7.215 ! ############### C13_CNnoesy_manual.1862 folded + assi (attr store1 < 0.808 and attr store1 > 0.708 ) ((attr store1 < 3.984 and attr store1 > 3.924 ) and (bondedto (attr store1 < 109.843722631 and attr store1 > 109.043722631 ) or bondedto (attr store1 < 62.101 and attr store1 > 61.301 ) or bondedto (attr store1 < 14.3582773688 and attr store1 > 13.5582773688 ))) 6 0.1 0.1 peak 1862 volume 19.93935 ppm1 3.954 ppm2 0.758 ! ############### C13_CNnoesy_manual.1863 folded + assi (attr store1 < 8.067 and attr store1 > 7.967 ) ((attr store1 < 0.937 and attr store1 > 0.877 ) and (bondedto (attr store1 < 109.885722631 and attr store1 > 109.085722631 ) or bondedto (attr store1 < 62.143 and attr store1 > 61.343 ) or bondedto (attr store1 < 14.4002773688 and attr store1 > 13.6002773688 ))) 6 0.1 0.1 peak 1863 volume 8.80227 ppm1 0.907 ppm2 8.017 ! ############### C13_CNnoesy_manual.1864 folded + assi (attr store1 < 3.685 and attr store1 > 3.585 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.886722631 and attr store1 > 109.086722631 ) or bondedto (attr store1 < 62.144 and attr store1 > 61.344 ) or bondedto (attr store1 < 14.4012773688 and attr store1 > 13.6012773688 ))) 6 0.1 0.1 peak 1864 volume 8.33756 ppm1 0.090 ppm2 3.635 ! ############### C13_CNnoesy_manual.1865 folded + assi (attr store1 < 2.329 and attr store1 > 2.229 ) ((attr store1 < 0.122 and attr store1 > 0.062 ) and (bondedto (attr store1 < 109.867722631 and attr store1 > 109.067722631 ) or bondedto (attr store1 < 62.125 and attr store1 > 61.325 ) or bondedto (attr store1 < 14.3822773688 and attr store1 > 13.5822773688 ))) 6 0.1 0.1 peak 1865 volume 11.14823 ppm1 0.092 ppm2 2.279 ! ############### C13_CNnoesy_manual.1866 folded + assi (attr store1 < 1.644 and attr store1 > 1.544 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.849722631 and attr store1 > 109.049722631 ) or bondedto (attr store1 < 62.107 and attr store1 > 61.307 ) or bondedto (attr store1 < 14.3642773688 and attr store1 > 13.5642773688 ))) 6 0.1 0.1 peak 1866 volume 106.38918 ppm1 0.090 ppm2 1.594 ! ############### C13_CNnoesy_manual.1867 folded + assi (attr store1 < 1.426 and attr store1 > 1.326 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.874722631 and attr store1 > 109.074722631 ) or bondedto (attr store1 < 62.132 and attr store1 > 61.332 ) or bondedto (attr store1 < 14.3892773688 and attr store1 > 13.5892773688 ))) 6 0.1 0.1 peak 1867 volume 28.61161 ppm1 0.090 ppm2 1.376 ! ############### C13_CNnoesy_manual.1868 folded + assi (attr store1 < 0.139 and attr store1 > 0.039 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.851722631 and attr store1 > 109.051722631 ) or bondedto (attr store1 < 62.109 and attr store1 > 61.309 ) or bondedto (attr store1 < 14.3662773688 and attr store1 > 13.5662773688 ))) 6 0.1 0.1 peak 1868 volume 1715.85779 ppm1 0.090 ppm2 0.089 ! ############### C13_CNnoesy_manual.1869 folded + assi (attr store1 < 7.731 and attr store1 > 7.631 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.836722631 and attr store1 > 109.036722631 ) or bondedto (attr store1 < 62.094 and attr store1 > 61.294 ) or bondedto (attr store1 < 14.3512773688 and attr store1 > 13.5512773688 ))) 6 0.1 0.1 peak 1869 volume 14.65557 ppm1 0.090 ppm2 7.681 ! ############### C13_CNnoesy_manual.1870 folded + assi (attr store1 < 7.377 and attr store1 > 7.277 ) ((attr store1 < 0.119 and attr store1 > 0.059 ) and (bondedto (attr store1 < 109.836722631 and attr store1 > 109.036722631 ) or bondedto (attr store1 < 62.094 and attr store1 > 61.294 ) or bondedto (attr store1 < 14.3512773688 and attr store1 > 13.5512773688 ))) 6 0.1 0.1 peak 1870 volume 16.08480 ppm1 0.089 ppm2 7.327 ! ############### C13_CNnoesy_manual.1871 folded + assi (attr store1 < 7.288 and attr store1 > 7.188 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.862722631 and attr store1 > 109.062722631 ) or bondedto (attr store1 < 62.12 and attr store1 > 61.32 ) or bondedto (attr store1 < 14.3772773688 and attr store1 > 13.5772773688 ))) 6 0.1 0.1 peak 1871 volume 20.17481 ppm1 0.090 ppm2 7.238 ! ############### C13_CNnoesy_manual.1872 folded + assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.849722631 and attr store1 > 109.049722631 ) or bondedto (attr store1 < 62.107 and attr store1 > 61.307 ) or bondedto (attr store1 < 14.3642773688 and attr store1 > 13.5642773688 ))) 6 0.1 0.1 peak 1872 volume 7.55424 ppm1 0.090 ppm2 4.840 ! ############### C13_CNnoesy_manual.1873 folded + assi (attr store1 < 4.147 and attr store1 > 4.047 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.836722631 and attr store1 > 109.036722631 ) or bondedto (attr store1 < 62.094 and attr store1 > 61.294 ) or bondedto (attr store1 < 14.3512773688 and attr store1 > 13.5512773688 ))) 6 0.1 0.1 peak 1873 volume 30.78289 ppm1 0.090 ppm2 4.097 ! ############### C13_CNnoesy_manual.1874 folded + assi (attr store1 < 3.867 and attr store1 > 3.767 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.848722631 and attr store1 > 109.048722631 ) or bondedto (attr store1 < 62.106 and attr store1 > 61.306 ) or bondedto (attr store1 < 14.3632773688 and attr store1 > 13.5632773688 ))) 6 0.1 0.1 peak 1874 volume 54.72643 ppm1 0.090 ppm2 3.817 ! ############### C13_CNnoesy_manual.1875 folded + assi (attr store1 < 0.934 and attr store1 > 0.834 ) ((attr store1 < 0.118 and attr store1 > 0.058 ) and (bondedto (attr store1 < 109.854722631 and attr store1 > 109.054722631 ) or bondedto (attr store1 < 62.112 and attr store1 > 61.312 ) or bondedto (attr store1 < 14.3692773688 and attr store1 > 13.5692773688 ))) 6 0.1 0.1 peak 1875 volume 105.81944 ppm1 0.088 ppm2 0.884 ! ############### C13_CNnoesy_manual.1876 folded + assi (attr store1 < 0.804 and attr store1 > 0.704 ) ((attr store1 < 0.12 and attr store1 > 0.06 ) and (bondedto (attr store1 < 109.846722631 and attr store1 > 109.046722631 ) or bondedto (attr store1 < 62.104 and attr store1 > 61.304 ) or bondedto (attr store1 < 14.3612773688 and attr store1 > 13.5612773688 ))) 6 0.1 0.1 peak 1876 volume 191.24203 ppm1 0.090 ppm2 0.754 ! ############### C13_CNnoesy_manual.1877 folded + assi (attr store1 < 0.295 and attr store1 > 0.195 ) ((attr store1 < 0.117 and attr store1 > 0.057 ) and (bondedto (attr store1 < 109.845722631 and attr store1 > 109.045722631 ) or bondedto (attr store1 < 62.103 and attr store1 > 61.303 ) or bondedto (attr store1 < 14.3602773688 and attr store1 > 13.5602773688 ))) 6 0.1 0.1 peak 1877 volume 34.27880 ppm1 0.087 ppm2 0.245 ! ############### C13_CNnoesy_manual.1878 folded - assi (attr store1 < 3.578 and attr store1 > 3.478 ) ((attr store1 < 2.118 and attr store1 > 2.058 ) and (bondedto (attr store1 < 133.705083947 and attr store1 > 132.905083947 ) or bondedto (attr store1 < 38.2196386844 and attr store1 > 37.4196386844 ))) 6 0.1 0.1 peak 1878 volume 16.18606 ppm1 2.088 ppm2 3.528 ! ############### C13_CNnoesy_manual.1879 folded - assi (attr store1 < 2.142 and attr store1 > 2.042 ) ((attr store1 < 2.12 and attr store1 > 2.06 ) and (bondedto (attr store1 < 133.726083947 and attr store1 > 132.926083947 ) or bondedto (attr store1 < 38.2406386844 and attr store1 > 37.4406386844 ))) 6 0.1 0.1 peak 1879 volume 212.23421 ppm1 2.090 ppm2 2.092 ! ############### C13_CNnoesy_manual.1880 folded - assi (attr store1 < 0.917 and attr store1 > 0.817 ) ((attr store1 < 2.12 and attr store1 > 2.06 ) and (bondedto (attr store1 < 133.702083947 and attr store1 > 132.902083947 ) or bondedto (attr store1 < 38.2166386844 and attr store1 > 37.4166386844 ))) 6 0.1 0.1 peak 1880 volume 96.07992 ppm1 2.090 ppm2 0.867 ! ############### C13_CNnoesy_manual.1881 folded + assi (attr store1 < 7.901 and attr store1 > 7.801 ) ((attr store1 < 3.982 and attr store1 > 3.922 ) and (bondedto (attr store1 < 109.803722631 and attr store1 > 109.003722631 ) or bondedto (attr store1 < 62.061 and attr store1 > 61.261 ) or bondedto (attr store1 < 14.3182773688 and attr store1 > 13.5182773688 ))) 6 0.1 0.1 peak 1881 volume 28.57665 ppm1 3.952 ppm2 7.851 ! ############### C13_CNnoesy_manual.1882 folded + assi (attr store1 < 4.003 and attr store1 > 3.903 ) ((attr store1 < 3.983 and attr store1 > 3.923 ) and (bondedto (attr store1 < 109.789722631 and attr store1 > 108.989722631 ) or bondedto (attr store1 < 62.047 and attr store1 > 61.247 ) or bondedto (attr store1 < 14.3042773688 and attr store1 > 13.5042773688 ))) 6 0.1 0.1 peak 1882 volume 629.35791 ppm1 3.953 ppm2 3.953 ! ############### C13_CNnoesy_manual.1883 folded + assi (attr store1 < 3.85 and attr store1 > 3.75 ) ((attr store1 < 3.981 and attr store1 > 3.921 ) and (bondedto (attr store1 < 109.780722631 and attr store1 > 108.980722631 ) or bondedto (attr store1 < 62.038 and attr store1 > 61.238 ) or bondedto (attr store1 < 14.2952773688 and attr store1 > 13.4952773688 ))) 6 0.1 0.1 peak 1883 volume 15.95661 ppm1 3.951 ppm2 3.800 ! ############### C13_CNnoesy_manual.1884 folded + assi (attr store1 < 2.747 and attr store1 > 2.647 ) ((attr store1 < 3.983 and attr store1 > 3.923 ) and (bondedto (attr store1 < 109.787722631 and attr store1 > 108.987722631 ) or bondedto (attr store1 < 62.045 and attr store1 > 61.245 ) or bondedto (attr store1 < 14.3022773688 and attr store1 > 13.5022773688 ))) 6 0.1 0.1 peak 1884 volume 32.76078 ppm1 3.953 ppm2 2.697 ! ############### C13_CNnoesy_manual.1885 folded + assi (attr store1 < 2.628 and attr store1 > 2.528 ) ((attr store1 < 3.983 and attr store1 > 3.923 ) and (bondedto (attr store1 < 109.789722631 and attr store1 > 108.989722631 ) or bondedto (attr store1 < 62.047 and attr store1 > 61.247 ) or bondedto (attr store1 < 14.3042773688 and attr store1 > 13.5042773688 ))) 6 0.1 0.1 peak 1885 volume 48.13346 ppm1 3.953 ppm2 2.578 ! ############### C13_CNnoesy_manual.1886 folded + assi (attr store1 < 2.352 and attr store1 > 2.252 ) ((attr store1 < 3.979 and attr store1 > 3.919 ) and (bondedto (attr store1 < 109.744722631 and attr store1 > 108.944722631 ) or bondedto (attr store1 < 62.002 and attr store1 > 61.202 ) or bondedto (attr store1 < 14.2592773688 and attr store1 > 13.4592773688 ))) 6 0.1 0.1 peak 1886 volume 8.37068 ppm1 3.949 ppm2 2.302 ! ############### C13_CNnoesy_manual.1887 folded + assi (attr store1 < 1.419 and attr store1 > 1.319 ) ((attr store1 < 3.983 and attr store1 > 3.923 ) and (bondedto (attr store1 < 109.798722631 and attr store1 > 108.998722631 ) or bondedto (attr store1 < 62.056 and attr store1 > 61.256 ) or bondedto (attr store1 < 14.3132773688 and attr store1 > 13.5132773688 ))) 6 0.1 0.1 peak 1887 volume 46.45547 ppm1 3.953 ppm2 1.369 ! ############### C13_CNnoesy_manual.1888 folded - assi (attr store1 < 8.479 and attr store1 > 8.379 ) ((attr store1 < 2.121 and attr store1 > 2.061 ) and (bondedto (attr store1 < 133.666083947 and attr store1 > 132.866083947 ) or bondedto (attr store1 < 38.1806386844 and attr store1 > 37.3806386844 ))) 6 0.1 0.1 peak 1888 volume 41.57516 ppm1 2.091 ppm2 8.429 ! ############### C13_CNnoesy_manual.1889 folded - assi (attr store1 < 3.883 and attr store1 > 3.783 ) ((attr store1 < 2.121 and attr store1 > 2.061 ) and (bondedto (attr store1 < 133.641083947 and attr store1 > 132.841083947 ) or bondedto (attr store1 < 38.1556386844 and attr store1 > 37.3556386844 ))) 6 0.1 0.1 peak 1889 volume 29.36632 ppm1 2.091 ppm2 3.833 ! ############### C13_CNnoesy_manual.1890 folded - assi (attr store1 < 1.962 and attr store1 > 1.862 ) ((attr store1 < 2.122 and attr store1 > 2.062 ) and (bondedto (attr store1 < 133.647083947 and attr store1 > 132.847083947 ) or bondedto (attr store1 < 38.1616386844 and attr store1 > 37.3616386844 ))) 6 0.1 0.1 peak 1890 volume 30.10259 ppm1 2.092 ppm2 1.912 ! ############### C13_CNnoesy_manual.1891 folded - assi (attr store1 < 1.425 and attr store1 > 1.325 ) ((attr store1 < 2.12 and attr store1 > 2.06 ) and (bondedto (attr store1 < 133.663083947 and attr store1 > 132.863083947 ) or bondedto (attr store1 < 38.1776386844 and attr store1 > 37.3776386844 ))) 6 0.1 0.1 peak 1891 volume 14.12412 ppm1 2.090 ppm2 1.375 ! ############### C13_CNnoesy_manual.1892 folded - assi (attr store1 < 8.27 and attr store1 > 8.17 ) ((attr store1 < 3.407 and attr store1 > 3.347 ) and (bondedto (attr store1 < 133.333083947 and attr store1 > 132.533083947 ) or bondedto (attr store1 < 37.8476386844 and attr store1 > 37.0476386844 ))) 6 0.1 0.1 peak 1892 volume 11.01173 ppm1 3.377 ppm2 8.220 ! ############### C13_CNnoesy_manual.1893 folded - assi (attr store1 < 1.168 and attr store1 > 1.068 ) ((attr store1 < 3.407 and attr store1 > 3.347 ) and (bondedto (attr store1 < 133.355083947 and attr store1 > 132.555083947 ) or bondedto (attr store1 < 37.8696386844 and attr store1 > 37.0696386844 ))) 6 0.1 0.1 peak 1893 volume 5.54859 ppm1 3.377 ppm2 1.118 ! ############### C13_CNnoesy_manual.1894 folded - assi (attr store1 < 8.761 and attr store1 > 8.661 ) ((attr store1 < 2.617 and attr store1 > 2.557 ) and (bondedto (attr store1 < 133.320083947 and attr store1 > 132.520083947 ) or bondedto (attr store1 < 37.8346386844 and attr store1 > 37.0346386844 ))) 6 0.1 0.1 peak 1894 volume 24.54871 ppm1 2.587 ppm2 8.711 ! ############### C13_CNnoesy_manual.1895 folded - assi (attr store1 < 1.607 and attr store1 > 1.507 ) ((attr store1 < 2.614 and attr store1 > 2.554 ) and (bondedto (attr store1 < 133.320083947 and attr store1 > 132.520083947 ) or bondedto (attr store1 < 37.8346386844 and attr store1 > 37.0346386844 ))) 6 0.1 0.1 peak 1895 volume 6.23119 ppm1 2.584 ppm2 1.557 ! ############### C13_CNnoesy_manual.1896 folded - assi (attr store1 < 0.958 and attr store1 > 0.858 ) ((attr store1 < 2.615 and attr store1 > 2.555 ) and (bondedto (attr store1 < 133.325083947 and attr store1 > 132.525083947 ) or bondedto (attr store1 < 37.8396386844 and attr store1 > 37.0396386844 ))) 6 0.1 0.1 peak 1896 volume 27.19451 ppm1 2.585 ppm2 0.908 ! ############### C13_CNnoesy_manual.1897 folded - assi (attr store1 < 8.767 and attr store1 > 8.667 ) ((attr store1 < 2.445 and attr store1 > 2.385 ) and (bondedto (attr store1 < 133.331083947 and attr store1 > 132.531083947 ) or bondedto (attr store1 < 37.8456386844 and attr store1 > 37.0456386844 ))) 6 0.1 0.1 peak 1897 volume 19.79818 ppm1 2.415 ppm2 8.717 ! ############### C13_CNnoesy_manual.1898 folded - assi (attr store1 < 2.636 and attr store1 > 2.536 ) ((attr store1 < 2.445 and attr store1 > 2.385 ) and (bondedto (attr store1 < 133.328083947 and attr store1 > 132.528083947 ) or bondedto (attr store1 < 37.8426386844 and attr store1 > 37.0426386844 ))) 6 0.1 0.1 peak 1898 volume 262.20407 ppm1 2.415 ppm2 2.586 ! ############### C13_CNnoesy_manual.1899 folded + assi (attr store1 < 7.088 and attr store1 > 6.988 ) ((attr store1 < 4.514 and attr store1 > 4.454 ) and (bondedto (attr store1 < 109.387722631 and attr store1 > 108.587722631 ) or bondedto (attr store1 < 61.645 and attr store1 > 60.845 ) or bondedto (attr store1 < 13.9022773688 and attr store1 > 13.1022773688 ))) 6 0.1 0.1 peak 1899 volume 53.41278 ppm1 4.484 ppm2 7.038 ! ############### C13_CNnoesy_manual.1900 folded + assi (attr store1 < 6.77 and attr store1 > 6.67 ) ((attr store1 < 4.512 and attr store1 > 4.452 ) and (bondedto (attr store1 < 109.347722631 and attr store1 > 108.547722631 ) or bondedto (attr store1 < 61.605 and attr store1 > 60.805 ) or bondedto (attr store1 < 13.8622773688 and attr store1 > 13.0622773688 ))) 6 0.1 0.1 peak 1900 volume 8.06321 ppm1 4.482 ppm2 6.720 ! ############### C13_CNnoesy_manual.1901 folded + assi (attr store1 < 4.533 and attr store1 > 4.433 ) ((attr store1 < 4.514 and attr store1 > 4.454 ) and (bondedto (attr store1 < 109.382722631 and attr store1 > 108.582722631 ) or bondedto (attr store1 < 61.64 and attr store1 > 60.84 ) or bondedto (attr store1 < 13.8972773688 and attr store1 > 13.0972773688 ))) 6 0.1 0.1 peak 1901 volume 397.52011 ppm1 4.484 ppm2 4.483 ! ############### C13_CNnoesy_manual.1902 folded + assi (attr store1 < 4.174 and attr store1 > 4.074 ) ((attr store1 < 4.518 and attr store1 > 4.458 ) and (bondedto (attr store1 < 109.393722631 and attr store1 > 108.593722631 ) or bondedto (attr store1 < 61.651 and attr store1 > 60.851 ) or bondedto (attr store1 < 13.9082773688 and attr store1 > 13.1082773688 ))) 6 0.1 0.1 peak 1902 volume 13.35268 ppm1 4.488 ppm2 4.124 ! ############### C13_CNnoesy_manual.1903 folded + assi (attr store1 < 3.422 and attr store1 > 3.322 ) ((attr store1 < 4.514 and attr store1 > 4.454 ) and (bondedto (attr store1 < 109.362722631 and attr store1 > 108.562722631 ) or bondedto (attr store1 < 61.62 and attr store1 > 60.82 ) or bondedto (attr store1 < 13.8772773688 and attr store1 > 13.0772773688 ))) 6 0.1 0.1 peak 1903 volume 28.30455 ppm1 4.484 ppm2 3.372 ! ############### C13_CNnoesy_manual.1904 folded + assi (attr store1 < 3.138 and attr store1 > 3.038 ) ((attr store1 < 4.515 and attr store1 > 4.455 ) and (bondedto (attr store1 < 109.380722631 and attr store1 > 108.580722631 ) or bondedto (attr store1 < 61.638 and attr store1 > 60.838 ) or bondedto (attr store1 < 13.8952773688 and attr store1 > 13.0952773688 ))) 6 0.1 0.1 peak 1904 volume 7.96046 ppm1 4.485 ppm2 3.088 ! ############### C13_CNnoesy_manual.1905 folded + assi (attr store1 < 2.891 and attr store1 > 2.791 ) ((attr store1 < 4.51 and attr store1 > 4.45 ) and (bondedto (attr store1 < 109.377722631 and attr store1 > 108.577722631 ) or bondedto (attr store1 < 61.635 and attr store1 > 60.835 ) or bondedto (attr store1 < 13.8922773688 and attr store1 > 13.0922773688 ))) 6 0.1 0.1 peak 1905 volume 17.71405 ppm1 4.480 ppm2 2.841 ! ############### C13_CNnoesy_manual.1906 folded + assi (attr store1 < 2.661 and attr store1 > 2.561 ) ((attr store1 < 4.516 and attr store1 > 4.456 ) and (bondedto (attr store1 < 109.367722631 and attr store1 > 108.567722631 ) or bondedto (attr store1 < 61.625 and attr store1 > 60.825 ) or bondedto (attr store1 < 13.8822773688 and attr store1 > 13.0822773688 ))) 6 0.1 0.1 peak 1906 volume 18.40282 ppm1 4.486 ppm2 2.611 ! ############### C13_CNnoesy_manual.1907 folded + assi (attr store1 < 2.457 and attr store1 > 2.357 ) ((attr store1 < 4.513 and attr store1 > 4.453 ) and (bondedto (attr store1 < 109.410722631 and attr store1 > 108.610722631 ) or bondedto (attr store1 < 61.668 and attr store1 > 60.868 ) or bondedto (attr store1 < 13.9252773688 and attr store1 > 13.1252773688 ))) 6 0.1 0.1 peak 1907 volume 13.16700 ppm1 4.483 ppm2 2.407 ! ############### C13_CNnoesy_manual.1908 folded + assi (attr store1 < 2.31 and attr store1 > 2.21 ) ((attr store1 < 4.515 and attr store1 > 4.455 ) and (bondedto (attr store1 < 109.382722631 and attr store1 > 108.582722631 ) or bondedto (attr store1 < 61.64 and attr store1 > 60.84 ) or bondedto (attr store1 < 13.8972773688 and attr store1 > 13.0972773688 ))) 6 0.1 0.1 peak 1908 volume 24.68466 ppm1 4.485 ppm2 2.260 ! ############### C13_CNnoesy_manual.1909 folded + assi (attr store1 < 1.427 and attr store1 > 1.327 ) ((attr store1 < 4.512 and attr store1 > 4.452 ) and (bondedto (attr store1 < 109.422722631 and attr store1 > 108.622722631 ) or bondedto (attr store1 < 61.68 and attr store1 > 60.88 ) or bondedto (attr store1 < 13.9372773688 and attr store1 > 13.1372773688 ))) 6 0.1 0.1 peak 1909 volume 6.92171 ppm1 4.482 ppm2 1.377 ! ############### C13_CNnoesy_manual.1910 folded - assi (attr store1 < 7.089 and attr store1 > 6.989 ) ((attr store1 < 3.405 and attr store1 > 3.345 ) and (bondedto (attr store1 < 133.281083947 and attr store1 > 132.481083947 ) or bondedto (attr store1 < 37.7956386844 and attr store1 > 36.9956386844 ))) 6 0.1 0.1 peak 1910 volume 22.76132 ppm1 3.375 ppm2 7.039 ! ############### C13_CNnoesy_manual.1911 folded - assi (attr store1 < 4.537 and attr store1 > 4.437 ) ((attr store1 < 3.407 and attr store1 > 3.347 ) and (bondedto (attr store1 < 133.295083947 and attr store1 > 132.495083947 ) or bondedto (attr store1 < 37.8096386844 and attr store1 > 37.0096386844 ))) 6 0.1 0.1 peak 1911 volume 23.79738 ppm1 3.377 ppm2 4.487 ! ############### C13_CNnoesy_manual.1912 folded - assi (attr store1 < 4.212 and attr store1 > 4.112 ) ((attr store1 < 3.403 and attr store1 > 3.343 ) and (bondedto (attr store1 < 133.259083947 and attr store1 > 132.459083947 ) or bondedto (attr store1 < 37.7736386844 and attr store1 > 36.9736386844 ))) 6 0.1 0.1 peak 1912 volume 8.52923 ppm1 3.373 ppm2 4.162 ! ############### C13_CNnoesy_manual.1913 folded - assi (attr store1 < 3.428 and attr store1 > 3.328 ) ((attr store1 < 3.407 and attr store1 > 3.347 ) and (bondedto (attr store1 < 133.280083947 and attr store1 > 132.480083947 ) or bondedto (attr store1 < 37.7946386844 and attr store1 > 36.9946386844 ))) 6 0.1 0.1 peak 1913 volume 126.87855 ppm1 3.377 ppm2 3.378 ! ############### C13_CNnoesy_manual.1914 folded - assi (attr store1 < 3.145 and attr store1 > 3.045 ) ((attr store1 < 3.403 and attr store1 > 3.343 ) and (bondedto (attr store1 < 133.272083947 and attr store1 > 132.472083947 ) or bondedto (attr store1 < 37.7866386844 and attr store1 > 36.9866386844 ))) 6 0.1 0.1 peak 1914 volume 15.16748 ppm1 3.373 ppm2 3.095 ! ############### C13_CNnoesy_manual.1915 folded - assi (attr store1 < 2.895 and attr store1 > 2.795 ) ((attr store1 < 3.406 and attr store1 > 3.346 ) and (bondedto (attr store1 < 133.281083947 and attr store1 > 132.481083947 ) or bondedto (attr store1 < 37.7956386844 and attr store1 > 36.9956386844 ))) 6 0.1 0.1 peak 1915 volume 100.15878 ppm1 3.376 ppm2 2.845 ! ############### C13_CNnoesy_manual.1916 folded - assi (attr store1 < 2.718 and attr store1 > 2.618 ) ((attr store1 < 3.406 and attr store1 > 3.346 ) and (bondedto (attr store1 < 133.259083947 and attr store1 > 132.459083947 ) or bondedto (attr store1 < 37.7736386844 and attr store1 > 36.9736386844 ))) 6 0.1 0.1 peak 1916 volume 8.01418 ppm1 3.376 ppm2 2.668 ! ############### C13_CNnoesy_manual.1917 folded - assi (attr store1 < 1.648 and attr store1 > 1.548 ) ((attr store1 < 3.408 and attr store1 > 3.348 ) and (bondedto (attr store1 < 133.310083947 and attr store1 > 132.510083947 ) or bondedto (attr store1 < 37.8246386844 and attr store1 > 37.0246386844 ))) 6 0.1 0.1 peak 1917 volume 17.08598 ppm1 3.378 ppm2 1.598 ! ############### C13_CNnoesy_manual.1918 folded - assi (attr store1 < 1.45 and attr store1 > 1.35 ) ((attr store1 < 3.409 and attr store1 > 3.349 ) and (bondedto (attr store1 < 133.289083947 and attr store1 > 132.489083947 ) or bondedto (attr store1 < 37.8036386844 and attr store1 > 37.0036386844 ))) 6 0.1 0.1 peak 1918 volume 6.97453 ppm1 3.379 ppm2 1.400 ! ############### C13_CNnoesy_manual.1919 folded - assi (attr store1 < 3.88 and attr store1 > 3.78 ) ((attr store1 < 3.399 and attr store1 > 3.339 ) and (bondedto (attr store1 < 133.241083947 and attr store1 > 132.441083947 ) or bondedto (attr store1 < 37.7556386844 and attr store1 > 36.9556386844 ))) 6 0.1 0.1 peak 1919 volume 5.56079 ppm1 3.369 ppm2 3.830 ! ############### C13_CNnoesy_manual.1920 folded - assi (attr store1 < 8.268 and attr store1 > 8.168 ) ((attr store1 < 2.873 and attr store1 > 2.813 ) and (bondedto (attr store1 < 133.310083947 and attr store1 > 132.510083947 ) or bondedto (attr store1 < 37.8246386844 and attr store1 > 37.0246386844 ))) 6 0.1 0.1 peak 1920 volume 11.18401 ppm1 2.843 ppm2 8.218 ! ############### C13_CNnoesy_manual.1921 folded - assi (attr store1 < 7.089 and attr store1 > 6.989 ) ((attr store1 < 2.875 and attr store1 > 2.815 ) and (bondedto (attr store1 < 133.295083947 and attr store1 > 132.495083947 ) or bondedto (attr store1 < 37.8096386844 and attr store1 > 37.0096386844 ))) 6 0.1 0.1 peak 1921 volume 20.95872 ppm1 2.845 ppm2 7.039 ! ############### C13_CNnoesy_manual.1922 folded - assi (attr store1 < 4.88 and attr store1 > 4.78 ) ((attr store1 < 2.873 and attr store1 > 2.813 ) and (bondedto (attr store1 < 133.309083947 and attr store1 > 132.509083947 ) or bondedto (attr store1 < 37.8236386844 and attr store1 > 37.0236386844 ))) 6 0.1 0.1 peak 1922 volume 12.13308 ppm1 2.843 ppm2 4.830 ! ############### C13_CNnoesy_manual.1923 folded - assi (attr store1 < 4.208 and attr store1 > 4.108 ) ((attr store1 < 2.874 and attr store1 > 2.814 ) and (bondedto (attr store1 < 133.280083947 and attr store1 > 132.480083947 ) or bondedto (attr store1 < 37.7946386844 and attr store1 > 36.9946386844 ))) 6 0.1 0.1 peak 1923 volume 10.85435 ppm1 2.844 ppm2 4.158 ! ############### C13_CNnoesy_manual.1924 folded - assi (attr store1 < 3.876 and attr store1 > 3.776 ) ((attr store1 < 2.878 and attr store1 > 2.818 ) and (bondedto (attr store1 < 133.270083947 and attr store1 > 132.470083947 ) or bondedto (attr store1 < 37.7846386844 and attr store1 > 36.9846386844 ))) 6 0.1 0.1 peak 1924 volume 7.35943 ppm1 2.848 ppm2 3.826 ! ############### C13_CNnoesy_manual.1925 folded - assi (attr store1 < 3.425 and attr store1 > 3.325 ) ((attr store1 < 2.875 and attr store1 > 2.815 ) and (bondedto (attr store1 < 133.281083947 and attr store1 > 132.481083947 ) or bondedto (attr store1 < 37.7956386844 and attr store1 > 36.9956386844 ))) 6 0.1 0.1 peak 1925 volume 96.03672 ppm1 2.845 ppm2 3.375 ! ############### C13_CNnoesy_manual.1926 folded - assi (attr store1 < 3.151 and attr store1 > 3.051 ) ((attr store1 < 2.878 and attr store1 > 2.818 ) and (bondedto (attr store1 < 133.251083947 and attr store1 > 132.451083947 ) or bondedto (attr store1 < 37.7656386844 and attr store1 > 36.9656386844 ))) 6 0.1 0.1 peak 1926 volume 11.04724 ppm1 2.848 ppm2 3.101 ! ############### C13_CNnoesy_manual.1927 folded - assi (attr store1 < 1.647 and attr store1 > 1.547 ) ((attr store1 < 2.874 and attr store1 > 2.814 ) and (bondedto (attr store1 < 133.257083947 and attr store1 > 132.457083947 ) or bondedto (attr store1 < 37.7716386844 and attr store1 > 36.9716386844 ))) 6 0.1 0.1 peak 1927 volume 17.23991 ppm1 2.844 ppm2 1.597 ! ############### C13_CNnoesy_manual.1928 folded - assi (attr store1 < 4.085 and attr store1 > 3.985 ) ((attr store1 < 2.615 and attr store1 > 2.555 ) and (bondedto (attr store1 < 133.299083947 and attr store1 > 132.499083947 ) or bondedto (attr store1 < 37.8136386844 and attr store1 > 37.0136386844 ))) 6 0.1 0.1 peak 1928 volume 19.53884 ppm1 2.585 ppm2 4.035 ! ############### C13_CNnoesy_manual.1929 folded - assi (attr store1 < 2.461 and attr store1 > 2.361 ) ((attr store1 < 2.618 and attr store1 > 2.558 ) and (bondedto (attr store1 < 133.307083947 and attr store1 > 132.507083947 ) or bondedto (attr store1 < 37.8216386844 and attr store1 > 37.0216386844 ))) 6 0.1 0.1 peak 1929 volume 252.80827 ppm1 2.588 ppm2 2.411 ! ############### C13_CNnoesy_manual.1930 folded - assi (attr store1 < 4.089 and attr store1 > 3.989 ) ((attr store1 < 2.442 and attr store1 > 2.382 ) and (bondedto (attr store1 < 133.239083947 and attr store1 > 132.439083947 ) or bondedto (attr store1 < 37.7536386844 and attr store1 > 36.9536386844 ))) 6 0.1 0.1 peak 1930 volume 33.10368 ppm1 2.412 ppm2 4.039 ! ############### C13_CNnoesy_manual.1931 folded - assi (attr store1 < 2.461 and attr store1 > 2.361 ) ((attr store1 < 2.442 and attr store1 > 2.382 ) and (bondedto (attr store1 < 133.234083947 and attr store1 > 132.434083947 ) or bondedto (attr store1 < 37.7486386844 and attr store1 > 36.9486386844 ))) 6 0.1 0.1 peak 1931 volume 549.51288 ppm1 2.412 ppm2 2.411 ! ############### C13_CNnoesy_manual.1932 folded - assi (attr store1 < 0.954 and attr store1 > 0.854 ) ((attr store1 < 2.442 and attr store1 > 2.382 ) and (bondedto (attr store1 < 133.292083947 and attr store1 > 132.492083947 ) or bondedto (attr store1 < 37.8066386844 and attr store1 > 37.0066386844 ))) 6 0.1 0.1 peak 1932 volume 35.55945 ppm1 2.412 ppm2 0.904 ! ############### C13_CNnoesy_manual.1933 folded - assi (attr store1 < 1.61 and attr store1 > 1.51 ) ((attr store1 < 2.438 and attr store1 > 2.378 ) and (bondedto (attr store1 < 133.260083947 and attr store1 > 132.460083947 ) or bondedto (attr store1 < 37.7746386844 and attr store1 > 36.9746386844 ))) 6 0.1 0.1 peak 1933 volume 6.45344 ppm1 2.408 ppm2 1.560 ! ############### C13_CNnoesy_manual.1934 folded + assi (attr store1 < 4.908 and attr store1 > 4.808 ) ((attr store1 < 4.517 and attr store1 > 4.457 ) and (bondedto (attr store1 < 109.298722631 and attr store1 > 108.498722631 ) or bondedto (attr store1 < 61.556 and attr store1 > 60.756 ) or bondedto (attr store1 < 13.8132773688 and attr store1 > 13.0132773688 ))) 6 0.1 0.1 peak 1934 volume 15.47908 ppm1 4.487 ppm2 4.858 ! ############### C13_CNnoesy_manual.1935 folded + assi (attr store1 < 8.283 and attr store1 > 8.183 ) ((attr store1 < 4.51 and attr store1 > 4.45 ) and (bondedto (attr store1 < 109.320722631 and attr store1 > 108.520722631 ) or bondedto (attr store1 < 61.578 and attr store1 > 60.778 ) or bondedto (attr store1 < 13.8352773688 and attr store1 > 13.0352773688 ))) 6 0.1 0.1 peak 1935 volume 10.99464 ppm1 4.480 ppm2 8.233 ! ############### C13_CNnoesy_manual.1936 folded + assi (attr store1 < 1.578 and attr store1 > 1.478 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 109.258722631 and attr store1 > 108.458722631 ) or bondedto (attr store1 < 61.516 and attr store1 > 60.716 ) or bondedto (attr store1 < 13.7732773688 and attr store1 > 12.9732773688 ))) 6 0.1 0.1 peak 1936 volume 13.10019 ppm1 4.132 ppm2 1.528 ! ############### C13_CNnoesy_manual.1937 folded + assi (attr store1 < 8.053 and attr store1 > 7.953 ) ((attr store1 < 4.152 and attr store1 > 4.092 ) and (bondedto (attr store1 < 109.288722631 and attr store1 > 108.488722631 ) or bondedto (attr store1 < 61.546 and attr store1 > 60.746 ) or bondedto (attr store1 < 13.8032773688 and attr store1 > 13.0032773688 ))) 6 0.1 0.1 peak 1937 volume 56.46326 ppm1 4.122 ppm2 8.003 ! ############### C13_CNnoesy_manual.1938 folded + assi (attr store1 < 7.751 and attr store1 > 7.651 ) ((attr store1 < 4.152 and attr store1 > 4.092 ) and (bondedto (attr store1 < 109.285722631 and attr store1 > 108.485722631 ) or bondedto (attr store1 < 61.543 and attr store1 > 60.743 ) or bondedto (attr store1 < 13.8002773688 and attr store1 > 13.0002773688 ))) 6 0.1 0.1 peak 1938 volume 23.04690 ppm1 4.122 ppm2 7.701 ! ############### C13_CNnoesy_manual.1939 folded + assi (attr store1 < 2.351 and attr store1 > 2.251 ) ((attr store1 < 4.153 and attr store1 > 4.093 ) and (bondedto (attr store1 < 109.271722631 and attr store1 > 108.471722631 ) or bondedto (attr store1 < 61.529 and attr store1 > 60.729 ) or bondedto (attr store1 < 13.7862773688 and attr store1 > 12.9862773688 ))) 6 0.1 0.1 peak 1939 volume 28.81484 ppm1 4.123 ppm2 2.301 ! ############### C13_CNnoesy_manual.1940 folded + assi (attr store1 < 0.962 and attr store1 > 0.862 ) ((attr store1 < 4.153 and attr store1 > 4.093 ) and (bondedto (attr store1 < 109.290722631 and attr store1 > 108.490722631 ) or bondedto (attr store1 < 61.548 and attr store1 > 60.748 ) or bondedto (attr store1 < 13.8052773688 and attr store1 > 13.0052773688 ))) 6 0.1 0.1 peak 1940 volume 30.68153 ppm1 4.123 ppm2 0.912 ! ############### C13_CNnoesy_manual.1941 folded + assi (attr store1 < 0.802 and attr store1 > 0.702 ) ((attr store1 < 4.15 and attr store1 > 4.09 ) and (bondedto (attr store1 < 109.281722631 and attr store1 > 108.481722631 ) or bondedto (attr store1 < 61.539 and attr store1 > 60.739 ) or bondedto (attr store1 < 13.7962773688 and attr store1 > 12.9962773688 ))) 6 0.1 0.1 peak 1941 volume 87.03944 ppm1 4.120 ppm2 0.752 ! ############### C13_CNnoesy_manual.1942 folded - assi (attr store1 < 1.161 and attr store1 > 1.061 ) ((attr store1 < 7.01 and attr store1 > 6.95 ) and (bondedto (attr store1 < 133.155083947 and attr store1 > 132.355083947 ) or bondedto (attr store1 < 37.6696386844 and attr store1 > 36.8696386844 ))) 6 0.1 0.1 peak 1942 volume 7.95874 ppm1 6.980 ppm2 1.111 ! ############### C13_CNnoesy_manual.1943 folded - assi (attr store1 < 2.645 and attr store1 > 2.545 ) ((attr store1 < 2.626 and attr store1 > 2.566 ) and (bondedto (attr store1 < 133.127083947 and attr store1 > 132.327083947 ) or bondedto (attr store1 < 37.6416386844 and attr store1 > 36.8416386844 ))) 6 0.1 0.1 peak 1943 volume 648.5083 ppm1 2.596 ppm2 2.595 ! ############### C13_CNnoesy_manual.1944 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 7.067 and attr store1 > 7.007 ) and (bondedto (attr store1 < 133.058083947 and attr store1 > 132.258083947 ) or bondedto (attr store1 < 37.5726386844 and attr store1 > 36.7726386844 ))) 6 0.1 0.1 peak 1944 volume 12.31396 ppm1 7.037 ppm2 4.839 ! ############### C13_CNnoesy_manual.1945 folded - assi (attr store1 < 4.533 and attr store1 > 4.433 ) ((attr store1 < 7.068 and attr store1 > 7.008 ) and (bondedto (attr store1 < 133.046083947 and attr store1 > 132.246083947 ) or bondedto (attr store1 < 37.5606386844 and attr store1 > 36.7606386844 ))) 6 0.1 0.1 peak 1945 volume 35.10266 ppm1 7.038 ppm2 4.483 ! ############### C13_CNnoesy_manual.1946 folded - assi (attr store1 < 4.213 and attr store1 > 4.113 ) ((attr store1 < 7.068 and attr store1 > 7.008 ) and (bondedto (attr store1 < 133.042083947 and attr store1 > 132.242083947 ) or bondedto (attr store1 < 37.5566386844 and attr store1 > 36.7566386844 ))) 6 0.1 0.1 peak 1946 volume 9.55135 ppm1 7.038 ppm2 4.163 ! ############### C13_CNnoesy_manual.1947 folded - assi (attr store1 < 3.873 and attr store1 > 3.773 ) ((attr store1 < 7.069 and attr store1 > 7.009 ) and (bondedto (attr store1 < 133.063083947 and attr store1 > 132.263083947 ) or bondedto (attr store1 < 37.5776386844 and attr store1 > 36.7776386844 ))) 6 0.1 0.1 peak 1947 volume 12.46066 ppm1 7.039 ppm2 3.823 ! ############### C13_CNnoesy_manual.1948 folded - assi (attr store1 < 3.424 and attr store1 > 3.324 ) ((attr store1 < 7.068 and attr store1 > 7.008 ) and (bondedto (attr store1 < 133.075083947 and attr store1 > 132.275083947 ) or bondedto (attr store1 < 37.5896386844 and attr store1 > 36.7896386844 ))) 6 0.1 0.1 peak 1948 volume 20.41777 ppm1 7.038 ppm2 3.374 ! ############### C13_CNnoesy_manual.1949 folded - assi (attr store1 < 3.142 and attr store1 > 3.042 ) ((attr store1 < 7.068 and attr store1 > 7.008 ) and (bondedto (attr store1 < 133.077083947 and attr store1 > 132.277083947 ) or bondedto (attr store1 < 37.5916386844 and attr store1 > 36.7916386844 ))) 6 0.1 0.1 peak 1949 volume 14.34881 ppm1 7.038 ppm2 3.092 ! ############### C13_CNnoesy_manual.1950 folded - assi (attr store1 < 2.889 and attr store1 > 2.789 ) ((attr store1 < 7.068 and attr store1 > 7.008 ) and (bondedto (attr store1 < 133.039083947 and attr store1 > 132.239083947 ) or bondedto (attr store1 < 37.5536386844 and attr store1 > 36.7536386844 ))) 6 0.1 0.1 peak 1950 volume 28.89723 ppm1 7.038 ppm2 2.839 ! ############### C13_CNnoesy_manual.1951 folded - assi (attr store1 < 2.677 and attr store1 > 2.577 ) ((attr store1 < 7.067 and attr store1 > 7.007 ) and (bondedto (attr store1 < 133.092083947 and attr store1 > 132.292083947 ) or bondedto (attr store1 < 37.6066386844 and attr store1 > 36.8066386844 ))) 6 0.1 0.1 peak 1951 volume 11.1224 ppm1 7.037 ppm2 2.627 ! ############### C13_CNnoesy_manual.1952 folded - assi (attr store1 < 1.636 and attr store1 > 1.536 ) ((attr store1 < 7.07 and attr store1 > 7.01 ) and (bondedto (attr store1 < 133.075083947 and attr store1 > 132.275083947 ) or bondedto (attr store1 < 37.5896386844 and attr store1 > 36.7896386844 ))) 6 0.1 0.1 peak 1952 volume 10.50718 ppm1 7.040 ppm2 1.586 ! ############### C13_CNnoesy_manual.1953 folded - assi (attr store1 < 1.422 and attr store1 > 1.322 ) ((attr store1 < 7.065 and attr store1 > 7.005 ) and (bondedto (attr store1 < 133.081083947 and attr store1 > 132.281083947 ) or bondedto (attr store1 < 37.5956386844 and attr store1 > 36.7956386844 ))) 6 0.1 0.1 peak 1953 volume 11.10486 ppm1 7.035 ppm2 1.372 ! ############### C13_CNnoesy_manual.1954 folded - assi (attr store1 < 1.22 and attr store1 > 1.12 ) ((attr store1 < 7.072 and attr store1 > 7.012 ) and (bondedto (attr store1 < 133.062083947 and attr store1 > 132.262083947 ) or bondedto (attr store1 < 37.5766386844 and attr store1 > 36.7766386844 ))) 6 0.1 0.1 peak 1954 volume 8.77491 ppm1 7.042 ppm2 1.170 ! ############### C13_CNnoesy_manual.1955 folded - assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 7.014 and attr store1 > 6.954 ) and (bondedto (attr store1 < 133.036083947 and attr store1 > 132.236083947 ) or bondedto (attr store1 < 37.5506386844 and attr store1 > 36.7506386844 ))) 6 0.1 0.1 peak 1955 volume 11.20942 ppm1 6.984 ppm2 4.840 ! ############### C13_CNnoesy_manual.1956 folded - assi (attr store1 < 2.635 and attr store1 > 2.535 ) ((attr store1 < 7.013 and attr store1 > 6.953 ) and (bondedto (attr store1 < 133.083083947 and attr store1 > 132.283083947 ) or bondedto (attr store1 < 37.5976386844 and attr store1 > 36.7976386844 ))) 6 0.1 0.1 peak 1956 volume 7.87999 ppm1 6.983 ppm2 2.585 ! ############### C13_CNnoesy_manual.1957 folded - assi (attr store1 < 2.017 and attr store1 > 1.917 ) ((attr store1 < 7.012 and attr store1 > 6.952 ) and (bondedto (attr store1 < 133.077083947 and attr store1 > 132.277083947 ) or bondedto (attr store1 < 37.5916386844 and attr store1 > 36.7916386844 ))) 6 0.1 0.1 peak 1957 volume 7.45496 ppm1 6.982 ppm2 1.967 ! ############### C13_CNnoesy_manual.1958 folded - assi (attr store1 < 7.031 and attr store1 > 6.931 ) ((attr store1 < 7.01 and attr store1 > 6.95 ) and (bondedto (attr store1 < 133.054083947 and attr store1 > 132.254083947 ) or bondedto (attr store1 < 37.5686386844 and attr store1 > 36.7686386844 ))) 6 0.1 0.1 peak 1958 volume 756.11469 ppm1 6.980 ppm2 6.981 ! ############### C13_CNnoesy_manual.1959 folded - assi (attr store1 < 4.107 and attr store1 > 4.007 ) ((attr store1 < 7.01 and attr store1 > 6.95 ) and (bondedto (attr store1 < 133.051083947 and attr store1 > 132.251083947 ) or bondedto (attr store1 < 37.5656386844 and attr store1 > 36.7656386844 ))) 6 0.1 0.1 peak 1959 volume 28.56037 ppm1 6.980 ppm2 4.057 ! ############### C13_CNnoesy_manual.1960 folded - assi (attr store1 < 3.348 and attr store1 > 3.248 ) ((attr store1 < 7.01 and attr store1 > 6.95 ) and (bondedto (attr store1 < 133.035083947 and attr store1 > 132.235083947 ) or bondedto (attr store1 < 37.5496386844 and attr store1 > 36.7496386844 ))) 6 0.1 0.1 peak 1960 volume 25.59442 ppm1 6.980 ppm2 3.298 ! ############### C13_CNnoesy_manual.1961 folded - assi (attr store1 < 3.093 and attr store1 > 2.993 ) ((attr store1 < 7.009 and attr store1 > 6.949 ) and (bondedto (attr store1 < 133.041083947 and attr store1 > 132.241083947 ) or bondedto (attr store1 < 37.5556386844 and attr store1 > 36.7556386844 ))) 6 0.1 0.1 peak 1961 volume 29.53418 ppm1 6.979 ppm2 3.043 ! ############### C13_CNnoesy_manual.1962 folded - assi (attr store1 < 1.421 and attr store1 > 1.321 ) ((attr store1 < 7.01 and attr store1 > 6.95 ) and (bondedto (attr store1 < 133.067083947 and attr store1 > 132.267083947 ) or bondedto (attr store1 < 37.5816386844 and attr store1 > 36.7816386844 ))) 6 0.1 0.1 peak 1962 volume 23.00001 ppm1 6.980 ppm2 1.371 ! ############### C13_CNnoesy_manual.1963 folded - assi (attr store1 < 4.105 and attr store1 > 4.005 ) ((attr store1 < 2.436 and attr store1 > 2.376 ) and (bondedto (attr store1 < 133.100083947 and attr store1 > 132.300083947 ) or bondedto (attr store1 < 37.6146386844 and attr store1 > 36.8146386844 ))) 6 0.1 0.1 peak 1963 volume 32.5626 ppm1 2.406 ppm2 4.055 ! ############### C13_CNnoesy_manual.1964 folded - assi (attr store1 < 7.086 and attr store1 > 6.986 ) ((attr store1 < 7.066 and attr store1 > 7.006 ) and (bondedto (attr store1 < 133.029083947 and attr store1 > 132.229083947 ) or bondedto (attr store1 < 37.5436386844 and attr store1 > 36.7436386844 ))) 6 0.1 0.1 peak 1964 volume 707.25391 ppm1 7.036 ppm2 7.036 ! ############### C13_CNnoesy_manual.1965 folded - assi (attr store1 < 6.766 and attr store1 > 6.666 ) ((attr store1 < 7.068 and attr store1 > 7.008 ) and (bondedto (attr store1 < 133.022083947 and attr store1 > 132.222083947 ) or bondedto (attr store1 < 37.5366386844 and attr store1 > 36.7366386844 ))) 6 0.1 0.1 peak 1965 volume 140.81566 ppm1 7.038 ppm2 6.716 ! ############### C13_CNnoesy_manual.1966 folded - assi (attr store1 < 3.898 and attr store1 > 3.798 ) ((attr store1 < 7.013 and attr store1 > 6.953 ) and (bondedto (attr store1 < 133.004083947 and attr store1 > 132.204083947 ) or bondedto (attr store1 < 37.5186386844 and attr store1 > 36.7186386844 ))) 6 0.1 0.1 peak 1966 volume 10.19521 ppm1 6.983 ppm2 3.848 ! ############### C13_CNnoesy_manual.1967 folded - assi (attr store1 < 2.282 and attr store1 > 2.182 ) ((attr store1 < 7.008 and attr store1 > 6.948 ) and (bondedto (attr store1 < 133.010083947 and attr store1 > 132.210083947 ) or bondedto (attr store1 < 37.5246386844 and attr store1 > 36.7246386844 ))) 6 0.1 0.1 peak 1967 volume 10.82755 ppm1 6.978 ppm2 2.232 ! ############### C13_CNnoesy_manual.1968 folded - assi (attr store1 < 0.802 and attr store1 > 0.702 ) ((attr store1 < 7.009 and attr store1 > 6.949 ) and (bondedto (attr store1 < 133.012083947 and attr store1 > 132.212083947 ) or bondedto (attr store1 < 37.5266386844 and attr store1 > 36.7266386844 ))) 6 0.1 0.1 peak 1968 volume 6.92764 ppm1 6.979 ppm2 0.752 ! ############### C13_CNnoesy_manual.1969 folded - assi (attr store1 < 6.905 and attr store1 > 6.805 ) ((attr store1 < 2.817 and attr store1 > 2.757 ) and (bondedto (attr store1 < 133.025083947 and attr store1 > 132.225083947 ) or bondedto (attr store1 < 37.5396386844 and attr store1 > 36.7396386844 ))) 6 0.1 0.1 peak 1969 volume 16.6005 ppm1 2.787 ppm2 6.855 ! ############### C13_CNnoesy_manual.1970 folded - assi (attr store1 < 8.162 and attr store1 > 8.062 ) ((attr store1 < 2.815 and attr store1 > 2.755 ) and (bondedto (attr store1 < 133.009083947 and attr store1 > 132.209083947 ) or bondedto (attr store1 < 37.5236386844 and attr store1 > 36.7236386844 ))) 6 0.1 0.1 peak 1970 volume 30.48282 ppm1 2.785 ppm2 8.112 ! ############### C13_CNnoesy_manual.1971 folded - assi (attr store1 < 4.355 and attr store1 > 4.255 ) ((attr store1 < 2.815 and attr store1 > 2.755 ) and (bondedto (attr store1 < 133.002083947 and attr store1 > 132.202083947 ) or bondedto (attr store1 < 37.5166386844 and attr store1 > 36.7166386844 ))) 6 0.1 0.1 peak 1971 volume 8.8342 ppm1 2.785 ppm2 4.305 ! ############### C13_CNnoesy_manual.1972 folded - assi (attr store1 < 4.152 and attr store1 > 4.052 ) ((attr store1 < 2.814 and attr store1 > 2.754 ) and (bondedto (attr store1 < 133.017083947 and attr store1 > 132.217083947 ) or bondedto (attr store1 < 37.5316386844 and attr store1 > 36.7316386844 ))) 6 0.1 0.1 peak 1972 volume 20.93763 ppm1 2.784 ppm2 4.102 ! ############### C13_CNnoesy_manual.1973 folded - assi (attr store1 < 2.836 and attr store1 > 2.736 ) ((attr store1 < 2.812 and attr store1 > 2.752 ) and (bondedto (attr store1 < 133.014083947 and attr store1 > 132.214083947 ) or bondedto (attr store1 < 37.5286386844 and attr store1 > 36.7286386844 ))) 6 0.1 0.1 peak 1973 volume 428.14316 ppm1 2.782 ppm2 2.786 ! ############### C13_CNnoesy_manual.1974 folded - assi (attr store1 < 2.365 and attr store1 > 2.265 ) ((attr store1 < 2.814 and attr store1 > 2.754 ) and (bondedto (attr store1 < 133.015083947 and attr store1 > 132.215083947 ) or bondedto (attr store1 < 37.5296386844 and attr store1 > 36.7296386844 ))) 6 0.1 0.1 peak 1974 volume 197.03456 ppm1 2.784 ppm2 2.315 ! ############### C13_CNnoesy_manual.1975 folded - assi (attr store1 < 8.697 and attr store1 > 8.597 ) ((attr store1 < 2.637 and attr store1 > 2.577 ) and (bondedto (attr store1 < 132.943083947 and attr store1 > 132.143083947 ) or bondedto (attr store1 < 37.4576386844 and attr store1 > 36.6576386844 ))) 6 0.1 0.1 peak 1975 volume 24.85437 ppm1 2.607 ppm2 8.647 ! ############### C13_CNnoesy_manual.1976 folded - assi (attr store1 < 1.914 and attr store1 > 1.814 ) ((attr store1 < 2.635 and attr store1 > 2.575 ) and (bondedto (attr store1 < 132.960083947 and attr store1 > 132.160083947 ) or bondedto (attr store1 < 37.4746386844 and attr store1 > 36.6746386844 ))) 6 0.1 0.1 peak 1976 volume 8.77457 ppm1 2.605 ppm2 1.864 ! ############### C13_CNnoesy_manual.1977 folded - assi (attr store1 < 1.146 and attr store1 > 1.046 ) ((attr store1 < 2.636 and attr store1 > 2.576 ) and (bondedto (attr store1 < 132.943083947 and attr store1 > 132.143083947 ) or bondedto (attr store1 < 37.4576386844 and attr store1 > 36.6576386844 ))) 6 0.1 0.1 peak 1977 volume 22.44372 ppm1 2.606 ppm2 1.096 ! ############### C13_CNnoesy_manual.1978 folded - assi (attr store1 < 1.926 and attr store1 > 1.826 ) ((attr store1 < 2.38 and attr store1 > 2.32 ) and (bondedto (attr store1 < 132.954083947 and attr store1 > 132.154083947 ) or bondedto (attr store1 < 37.4686386844 and attr store1 > 36.6686386844 ))) 6 0.1 0.1 peak 1978 volume 11.12084 ppm1 2.350 ppm2 1.876 ! ############### C13_CNnoesy_manual.1979 folded - assi (attr store1 < 2.389 and attr store1 > 2.289 ) ((attr store1 < 2.368 and attr store1 > 2.308 ) and (bondedto (attr store1 < 132.960083947 and attr store1 > 132.160083947 ) or bondedto (attr store1 < 37.4746386844 and attr store1 > 36.6746386844 ))) 6 0.1 0.1 peak 1979 volume 689.698 ppm1 2.338 ppm2 2.339 ! ############### C13_CNnoesy_manual.1980 folded - assi (attr store1 < 4.153 and attr store1 > 4.053 ) ((attr store1 < 2.357 and attr store1 > 2.297 ) and (bondedto (attr store1 < 133.016083947 and attr store1 > 132.216083947 ) or bondedto (attr store1 < 37.5306386844 and attr store1 > 36.7306386844 ))) 6 0.1 0.1 peak 1980 volume 33.23874 ppm1 2.327 ppm2 4.103 ! ############### C13_CNnoesy_manual.1981 folded - assi (attr store1 < 8.162 and attr store1 > 8.062 ) ((attr store1 < 2.345 and attr store1 > 2.285 ) and (bondedto (attr store1 < 132.994083947 and attr store1 > 132.194083947 ) or bondedto (attr store1 < 37.5086386844 and attr store1 > 36.7086386844 ))) 6 0.1 0.1 peak 1981 volume 17.12478 ppm1 2.315 ppm2 8.112 ! ############### C13_CNnoesy_manual.1982 folded - assi (attr store1 < 6.905 and attr store1 > 6.805 ) ((attr store1 < 2.346 and attr store1 > 2.286 ) and (bondedto (attr store1 < 133.003083947 and attr store1 > 132.203083947 ) or bondedto (attr store1 < 37.5176386844 and attr store1 > 36.7176386844 ))) 6 0.1 0.1 peak 1982 volume 11.77885 ppm1 2.316 ppm2 6.855 ! ############### C13_CNnoesy_manual.1983 folded - assi (attr store1 < 2.834 and attr store1 > 2.734 ) ((attr store1 < 2.346 and attr store1 > 2.286 ) and (bondedto (attr store1 < 133.016083947 and attr store1 > 132.216083947 ) or bondedto (attr store1 < 37.5306386844 and attr store1 > 36.7306386844 ))) 6 0.1 0.1 peak 1983 volume 193.03775 ppm1 2.316 ppm2 2.784 ! ############### C13_CNnoesy_manual.1984 folded + assi (attr store1 < 1.267 and attr store1 > 1.167 ) ((attr store1 < 0.96 and attr store1 > 0.9 ) and (bondedto (attr store1 < 108.997722631 and attr store1 > 108.197722631 ) or bondedto (attr store1 < 61.255 and attr store1 > 60.455 ) or bondedto (attr store1 < 13.5122773688 and attr store1 > 12.7122773688 ))) 6 0.1 0.1 peak 1984 volume 27.63390 ppm1 0.930 ppm2 1.217 ! ############### C13_CNnoesy_manual.1985 folded + assi (attr store1 < 1.596 and attr store1 > 1.496 ) ((attr store1 < 0.945 and attr store1 > 0.885 ) and (bondedto (attr store1 < 109.014722631 and attr store1 > 108.214722631 ) or bondedto (attr store1 < 61.272 and attr store1 > 60.472 ) or bondedto (attr store1 < 13.5292773688 and attr store1 > 12.7292773688 ))) 6 0.1 0.1 peak 1985 volume 11.60474 ppm1 0.915 ppm2 1.546 ! ############### C13_CNnoesy_manual.1986 folded - assi (attr store1 < 4.336 and attr store1 > 4.236 ) ((attr store1 < 2.638 and attr store1 > 2.578 ) and (bondedto (attr store1 < 132.928083947 and attr store1 > 132.128083947 ) or bondedto (attr store1 < 37.4426386844 and attr store1 > 36.6426386844 ))) 6 0.1 0.1 peak 1986 volume 25.08502 ppm1 2.608 ppm2 4.286 ! ############### C13_CNnoesy_manual.1987 folded - assi (attr store1 < 2.406 and attr store1 > 2.306 ) ((attr store1 < 2.636 and attr store1 > 2.576 ) and (bondedto (attr store1 < 132.931083947 and attr store1 > 132.131083947 ) or bondedto (attr store1 < 37.4456386844 and attr store1 > 36.6456386844 ))) 6 0.1 0.1 peak 1987 volume 256.05295 ppm1 2.606 ppm2 2.356 ! ############### C13_CNnoesy_manual.1988 folded - assi (attr store1 < 2.254 and attr store1 > 2.154 ) ((attr store1 < 2.637 and attr store1 > 2.577 ) and (bondedto (attr store1 < 132.925083947 and attr store1 > 132.125083947 ) or bondedto (attr store1 < 37.4396386844 and attr store1 > 36.6396386844 ))) 6 0.1 0.1 peak 1988 volume 97.13127 ppm1 2.607 ppm2 2.204 ! ############### C13_CNnoesy_manual.1989 folded - assi (attr store1 < 7.848 and attr store1 > 7.748 ) ((attr store1 < 2.432 and attr store1 > 2.372 ) and (bondedto (attr store1 < 132.917083947 and attr store1 > 132.117083947 ) or bondedto (attr store1 < 37.4316386844 and attr store1 > 36.6316386844 ))) 6 0.1 0.1 peak 1989 volume 13.88093 ppm1 2.402 ppm2 7.798 ! ############### C13_CNnoesy_manual.1990 folded - assi (attr store1 < 4.893 and attr store1 > 4.793 ) ((attr store1 < 2.428 and attr store1 > 2.368 ) and (bondedto (attr store1 < 132.900083947 and attr store1 > 132.100083947 ) or bondedto (attr store1 < 37.4146386844 and attr store1 > 36.6146386844 ))) 6 0.1 0.1 peak 1990 volume 16.3882 ppm1 2.398 ppm2 4.843 ! ############### C13_CNnoesy_manual.1991 folded - assi (attr store1 < 1.142 and attr store1 > 1.042 ) ((attr store1 < 2.387 and attr store1 > 2.327 ) and (bondedto (attr store1 < 132.893083947 and attr store1 > 132.093083947 ) or bondedto (attr store1 < 37.4076386844 and attr store1 > 36.6076386844 ))) 6 0.1 0.1 peak 1991 volume 17.05433 ppm1 2.357 ppm2 1.092 ! ############### C13_CNnoesy_manual.1992 folded - assi (attr store1 < 8.69 and attr store1 > 8.59 ) ((attr store1 < 2.385 and attr store1 > 2.325 ) and (bondedto (attr store1 < 132.936083947 and attr store1 > 132.136083947 ) or bondedto (attr store1 < 37.4506386844 and attr store1 > 36.6506386844 ))) 6 0.1 0.1 peak 1992 volume 18.87479 ppm1 2.355 ppm2 8.640 ! ############### C13_CNnoesy_manual.1993 folded - assi (attr store1 < 4.336 and attr store1 > 4.236 ) ((attr store1 < 2.382 and attr store1 > 2.322 ) and (bondedto (attr store1 < 132.930083947 and attr store1 > 132.130083947 ) or bondedto (attr store1 < 37.4446386844 and attr store1 > 36.6446386844 ))) 6 0.1 0.1 peak 1993 volume 40.78548 ppm1 2.352 ppm2 4.286 ! ############### C13_CNnoesy_manual.1994 folded - assi (attr store1 < 2.657 and attr store1 > 2.557 ) ((attr store1 < 2.385 and attr store1 > 2.325 ) and (bondedto (attr store1 < 132.907083947 and attr store1 > 132.107083947 ) or bondedto (attr store1 < 37.4216386844 and attr store1 > 36.6216386844 ))) 6 0.1 0.1 peak 1994 volume 265.22849 ppm1 2.355 ppm2 2.607 ! ############### C13_CNnoesy_manual.1995 folded - assi (attr store1 < 7.844 and attr store1 > 7.744 ) ((attr store1 < 2.286 and attr store1 > 2.226 ) and (bondedto (attr store1 < 132.901083947 and attr store1 > 132.101083947 ) or bondedto (attr store1 < 37.4156386844 and attr store1 > 36.6156386844 ))) 6 0.1 0.1 peak 1995 volume 14.98677 ppm1 2.256 ppm2 7.794 ! ############### C13_CNnoesy_manual.1996 folded - assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 2.284 and attr store1 > 2.224 ) and (bondedto (attr store1 < 132.888083947 and attr store1 > 132.088083947 ) or bondedto (attr store1 < 37.4026386844 and attr store1 > 36.6026386844 ))) 6 0.1 0.1 peak 1996 volume 11.04429 ppm1 2.254 ppm2 4.839 ! ############### C13_CNnoesy_manual.1997 folded - assi (attr store1 < 4.122 and attr store1 > 4.022 ) ((attr store1 < 2.287 and attr store1 > 2.227 ) and (bondedto (attr store1 < 132.920083947 and attr store1 > 132.120083947 ) or bondedto (attr store1 < 37.4346386844 and attr store1 > 36.6346386844 ))) 6 0.1 0.1 peak 1997 volume 28.78784 ppm1 2.257 ppm2 4.072 ! ############### C13_CNnoesy_manual.1998 folded - assi (attr store1 < 2.441 and attr store1 > 2.341 ) ((attr store1 < 2.288 and attr store1 > 2.228 ) and (bondedto (attr store1 < 132.912083947 and attr store1 > 132.112083947 ) or bondedto (attr store1 < 37.4266386844 and attr store1 > 36.6266386844 ))) 6 0.1 0.1 peak 1998 volume 220.38387 ppm1 2.258 ppm2 2.391 ! ############### C13_CNnoesy_manual.1999 folded - assi (attr store1 < 2.308 and attr store1 > 2.208 ) ((attr store1 < 2.287 and attr store1 > 2.227 ) and (bondedto (attr store1 < 132.886083947 and attr store1 > 132.086083947 ) or bondedto (attr store1 < 37.4006386844 and attr store1 > 36.6006386844 ))) 6 0.1 0.1 peak 1999 volume 401.4823 ppm1 2.257 ppm2 2.258 ! ############### C13_CNnoesy_manual.2000 folded - assi (attr store1 < 0.935 and attr store1 > 0.835 ) ((attr store1 < 2.287 and attr store1 > 2.227 ) and (bondedto (attr store1 < 132.900083947 and attr store1 > 132.100083947 ) or bondedto (attr store1 < 37.4146386844 and attr store1 > 36.6146386844 ))) 6 0.1 0.1 peak 2000 volume 17.02125 ppm1 2.257 ppm2 0.885 ! ############### C13_CNnoesy_manual.2001 folded + assi (attr store1 < 1.624 and attr store1 > 1.524 ) ((attr store1 < 4.124 and attr store1 > 4.064 ) and (bondedto (attr store1 < 108.907722631 and attr store1 > 108.107722631 ) or bondedto (attr store1 < 61.165 and attr store1 > 60.365 ) or bondedto (attr store1 < 13.4222773688 and attr store1 > 12.6222773688 ))) 6 0.1 0.1 peak 2001 volume 19.45665 ppm1 4.094 ppm2 1.574 ! ############### C13_CNnoesy_manual.2002 folded + assi (attr store1 < 4.889 and attr store1 > 4.789 ) ((attr store1 < 0.96 and attr store1 > 0.9 ) and (bondedto (attr store1 < 108.956722631 and attr store1 > 108.156722631 ) or bondedto (attr store1 < 61.214 and attr store1 > 60.414 ) or bondedto (attr store1 < 13.4712773688 and attr store1 > 12.6712773688 ))) 6 0.1 0.1 peak 2002 volume 19.95360 ppm1 0.930 ppm2 4.839 ! ############### C13_CNnoesy_manual.2003 folded + assi (attr store1 < 0.982 and attr store1 > 0.882 ) ((attr store1 < 0.962 and attr store1 > 0.902 ) and (bondedto (attr store1 < 108.944722631 and attr store1 > 108.144722631 ) or bondedto (attr store1 < 61.202 and attr store1 > 60.402 ) or bondedto (attr store1 < 13.4592773688 and attr store1 > 12.6592773688 ))) 6 0.1 0.1 peak 2003 volume 1687.70398 ppm1 0.932 ppm2 0.932 ! ############### C13_CNnoesy_manual.2004 folded - assi (attr store1 < 7.679 and attr store1 > 7.579 ) ((attr store1 < 2.289 and attr store1 > 2.229 ) and (bondedto (attr store1 < 132.836083947 and attr store1 > 132.036083947 ) or bondedto (attr store1 < 37.3506386844 and attr store1 > 36.5506386844 ))) 6 0.1 0.1 peak 2004 volume 7.24023 ppm1 2.259 ppm2 7.629 ! ############### C13_CNnoesy_manual.2005 folded - assi (attr store1 < 8.204 and attr store1 > 8.104 ) ((attr store1 < 2.277 and attr store1 > 2.217 ) and (bondedto (attr store1 < 132.787083947 and attr store1 > 131.987083947 ) or bondedto (attr store1 < 37.3016386844 and attr store1 > 36.5016386844 ))) 6 0.1 0.1 peak 2005 volume 7.32881 ppm1 2.247 ppm2 8.154 ! ############### C13_CNnoesy_manual.2006 folded + assi (attr store1 < 8.71 and attr store1 > 8.61 ) ((attr store1 < 4.123 and attr store1 > 4.063 ) and (bondedto (attr store1 < 108.853722631 and attr store1 > 108.053722631 ) or bondedto (attr store1 < 61.111 and attr store1 > 60.311 ) or bondedto (attr store1 < 13.3682773688 and attr store1 > 12.5682773688 ))) 6 0.1 0.1 peak 2006 volume 12.30747 ppm1 4.093 ppm2 8.660 ! ############### C13_CNnoesy_manual.2007 folded + assi (attr store1 < 8.501 and attr store1 > 8.401 ) ((attr store1 < 4.122 and attr store1 > 4.062 ) and (bondedto (attr store1 < 108.848722631 and attr store1 > 108.048722631 ) or bondedto (attr store1 < 61.106 and attr store1 > 60.306 ) or bondedto (attr store1 < 13.3632773688 and attr store1 > 12.5632773688 ))) 6 0.1 0.1 peak 2007 volume 5.74420 ppm1 4.092 ppm2 8.451 ! ############### C13_CNnoesy_manual.2008 folded + assi (attr store1 < 6.915 and attr store1 > 6.815 ) ((attr store1 < 4.126 and attr store1 > 4.066 ) and (bondedto (attr store1 < 108.827722631 and attr store1 > 108.027722631 ) or bondedto (attr store1 < 61.085 and attr store1 > 60.285 ) or bondedto (attr store1 < 13.3422773688 and attr store1 > 12.5422773688 ))) 6 0.1 0.1 peak 2008 volume 9.13548 ppm1 4.096 ppm2 6.865 ! ############### C13_CNnoesy_manual.2009 folded + assi (attr store1 < 4.886 and attr store1 > 4.786 ) ((attr store1 < 4.126 and attr store1 > 4.066 ) and (bondedto (attr store1 < 108.816722631 and attr store1 > 108.016722631 ) or bondedto (attr store1 < 61.074 and attr store1 > 60.274 ) or bondedto (attr store1 < 13.3312773688 and attr store1 > 12.5312773688 ))) 6 0.1 0.1 peak 2009 volume 20.82825 ppm1 4.096 ppm2 4.836 ! ############### C13_CNnoesy_manual.2010 folded + assi (attr store1 < 4.146 and attr store1 > 4.046 ) ((attr store1 < 4.122 and attr store1 > 4.062 ) and (bondedto (attr store1 < 108.853722631 and attr store1 > 108.053722631 ) or bondedto (attr store1 < 61.111 and attr store1 > 60.311 ) or bondedto (attr store1 < 13.3682773688 and attr store1 > 12.5682773688 ))) 6 0.1 0.1 peak 2010 volume 706.29584 ppm1 4.092 ppm2 4.096 ! ############### C13_CNnoesy_manual.2011 folded + assi (attr store1 < 2.036 and attr store1 > 1.936 ) ((attr store1 < 4.124 and attr store1 > 4.064 ) and (bondedto (attr store1 < 108.815722631 and attr store1 > 108.015722631 ) or bondedto (attr store1 < 61.073 and attr store1 > 60.273 ) or bondedto (attr store1 < 13.3302773688 and attr store1 > 12.5302773688 ))) 6 0.1 0.1 peak 2011 volume 83.49435 ppm1 4.094 ppm2 1.986 ! ############### C13_CNnoesy_manual.2012 folded + assi (attr store1 < 1.82 and attr store1 > 1.72 ) ((attr store1 < 4.125 and attr store1 > 4.065 ) and (bondedto (attr store1 < 108.816722631 and attr store1 > 108.016722631 ) or bondedto (attr store1 < 61.074 and attr store1 > 60.274 ) or bondedto (attr store1 < 13.3312773688 and attr store1 > 12.5312773688 ))) 6 0.1 0.1 peak 2012 volume 25.79188 ppm1 4.095 ppm2 1.770 ! ############### C13_CNnoesy_manual.2013 folded + assi (attr store1 < 1.414 and attr store1 > 1.314 ) ((attr store1 < 4.125 and attr store1 > 4.065 ) and (bondedto (attr store1 < 108.830722631 and attr store1 > 108.030722631 ) or bondedto (attr store1 < 61.088 and attr store1 > 60.288 ) or bondedto (attr store1 < 13.3452773688 and attr store1 > 12.5452773688 ))) 6 0.1 0.1 peak 2013 volume 63.30877 ppm1 4.095 ppm2 1.364 ! ############### C13_CNnoesy_manual.2014 folded - assi (attr store1 < 8.733 and attr store1 > 8.633 ) ((attr store1 < 2.495 and attr store1 > 2.435 ) and (bondedto (attr store1 < 132.664083947 and attr store1 > 131.864083947 ) or bondedto (attr store1 < 37.1786386844 and attr store1 > 36.3786386844 ))) 6 0.1 0.1 peak 2014 volume 32.8946 ppm1 2.465 ppm2 8.683 ! ############### C13_CNnoesy_manual.2015 folded - assi (attr store1 < 4.603 and attr store1 > 4.503 ) ((attr store1 < 2.496 and attr store1 > 2.436 ) and (bondedto (attr store1 < 132.732083947 and attr store1 > 131.932083947 ) or bondedto (attr store1 < 37.2466386844 and attr store1 > 36.4466386844 ))) 6 0.1 0.1 peak 2015 volume 11.92656 ppm1 2.466 ppm2 4.553 ! ############### C13_CNnoesy_manual.2016 folded - assi (attr store1 < 4.325 and attr store1 > 4.225 ) ((attr store1 < 2.495 and attr store1 > 2.435 ) and (bondedto (attr store1 < 132.672083947 and attr store1 > 131.872083947 ) or bondedto (attr store1 < 37.1866386844 and attr store1 > 36.3866386844 ))) 6 0.1 0.1 peak 2016 volume 40.1142 ppm1 2.465 ppm2 4.275 ! ############### C13_CNnoesy_manual.2017 folded - assi (attr store1 < 2.513 and attr store1 > 2.413 ) ((attr store1 < 2.493 and attr store1 > 2.433 ) and (bondedto (attr store1 < 132.665083947 and attr store1 > 131.865083947 ) or bondedto (attr store1 < 37.1796386844 and attr store1 > 36.3796386844 ))) 6 0.1 0.1 peak 2017 volume 1846.3457 ppm1 2.463 ppm2 2.463 ! ############### C13_CNnoesy_manual.2018 folded - assi (attr store1 < 2.289 and attr store1 > 2.189 ) ((attr store1 < 2.495 and attr store1 > 2.435 ) and (bondedto (attr store1 < 132.661083947 and attr store1 > 131.861083947 ) or bondedto (attr store1 < 37.1756386844 and attr store1 > 36.3756386844 ))) 6 0.1 0.1 peak 2018 volume 186.64922 ppm1 2.465 ppm2 2.239 ! ############### C13_CNnoesy_manual.2019 folded - assi (attr store1 < 1.75 and attr store1 > 1.65 ) ((attr store1 < 2.492 and attr store1 > 2.432 ) and (bondedto (attr store1 < 132.676083947 and attr store1 > 131.876083947 ) or bondedto (attr store1 < 37.1906386844 and attr store1 > 36.3906386844 ))) 6 0.1 0.1 peak 2019 volume 30.56108 ppm1 2.462 ppm2 1.700 ! ############### C13_CNnoesy_manual.2020 folded - assi (attr store1 < 1.281 and attr store1 > 1.181 ) ((attr store1 < 2.494 and attr store1 > 2.434 ) and (bondedto (attr store1 < 132.676083947 and attr store1 > 131.876083947 ) or bondedto (attr store1 < 37.1906386844 and attr store1 > 36.3906386844 ))) 6 0.1 0.1 peak 2020 volume 6.91577 ppm1 2.464 ppm2 1.231 ! ############### C13_CNnoesy_manual.2021 folded - assi (attr store1 < 1.095 and attr store1 > 0.995 ) ((attr store1 < 2.494 and attr store1 > 2.434 ) and (bondedto (attr store1 < 132.674083947 and attr store1 > 131.874083947 ) or bondedto (attr store1 < 37.1886386844 and attr store1 > 36.3886386844 ))) 6 0.1 0.1 peak 2021 volume 45.11991 ppm1 2.464 ppm2 1.045 ! ############### C13_CNnoesy_manual.2022 folded - assi (attr store1 < 3.192 and attr store1 > 3.092 ) ((attr store1 < 2.488 and attr store1 > 2.428 ) and (bondedto (attr store1 < 132.699083947 and attr store1 > 131.899083947 ) or bondedto (attr store1 < 37.2136386844 and attr store1 > 36.4136386844 ))) 6 0.1 0.1 peak 2022 volume 5.93542 ppm1 2.458 ppm2 3.142 ! ############### C13_CNnoesy_manual.2023 folded - assi (attr store1 < 8.304 and attr store1 > 8.204 ) ((attr store1 < 7.287 and attr store1 > 7.227 ) and (bondedto (attr store1 < 132.605083947 and attr store1 > 131.805083947 ) or bondedto (attr store1 < 37.1196386844 and attr store1 > 36.3196386844 ))) 6 0.1 0.1 peak 2023 volume 10.6207 ppm1 7.257 ppm2 8.254 ! ############### C13_CNnoesy_manual.2024 folded - assi (attr store1 < 7.31 and attr store1 > 7.21 ) ((attr store1 < 7.289 and attr store1 > 7.229 ) and (bondedto (attr store1 < 132.604083947 and attr store1 > 131.804083947 ) or bondedto (attr store1 < 37.1186386844 and attr store1 > 36.3186386844 ))) 6 0.1 0.1 peak 2024 volume 458.41647 ppm1 7.259 ppm2 7.260 ! ############### C13_CNnoesy_manual.2025 folded - assi (attr store1 < 6.795 and attr store1 > 6.695 ) ((attr store1 < 7.287 and attr store1 > 7.227 ) and (bondedto (attr store1 < 132.610083947 and attr store1 > 131.810083947 ) or bondedto (attr store1 < 37.1246386844 and attr store1 > 36.3246386844 ))) 6 0.1 0.1 peak 2025 volume 95.92883 ppm1 7.257 ppm2 6.745 ! ############### C13_CNnoesy_manual.2026 folded - assi (attr store1 < 4.247 and attr store1 > 4.147 ) ((attr store1 < 7.29 and attr store1 > 7.23 ) and (bondedto (attr store1 < 132.611083947 and attr store1 > 131.811083947 ) or bondedto (attr store1 < 37.1256386844 and attr store1 > 36.3256386844 ))) 6 0.1 0.1 peak 2026 volume 15.7868 ppm1 7.260 ppm2 4.197 ! ############### C13_CNnoesy_manual.2027 folded - assi (attr store1 < 3.265 and attr store1 > 3.165 ) ((attr store1 < 7.289 and attr store1 > 7.229 ) and (bondedto (attr store1 < 132.635083947 and attr store1 > 131.835083947 ) or bondedto (attr store1 < 37.1496386844 and attr store1 > 36.3496386844 ))) 6 0.1 0.1 peak 2027 volume 8.21242 ppm1 7.259 ppm2 3.215 ! ############### C13_CNnoesy_manual.2028 folded - assi (attr store1 < 2.905 and attr store1 > 2.805 ) ((attr store1 < 7.288 and attr store1 > 7.228 ) and (bondedto (attr store1 < 132.625083947 and attr store1 > 131.825083947 ) or bondedto (attr store1 < 37.1396386844 and attr store1 > 36.3396386844 ))) 6 0.1 0.1 peak 2028 volume 12.49473 ppm1 7.258 ppm2 2.855 ! ############### C13_CNnoesy_manual.2029 folded - assi (attr store1 < 1.847 and attr store1 > 1.747 ) ((attr store1 < 7.291 and attr store1 > 7.231 ) and (bondedto (attr store1 < 132.623083947 and attr store1 > 131.823083947 ) or bondedto (attr store1 < 37.1376386844 and attr store1 > 36.3376386844 ))) 6 0.1 0.1 peak 2029 volume 8.15304 ppm1 7.261 ppm2 1.797 ! ############### C13_CNnoesy_manual.2030 folded - assi (attr store1 < 1.605 and attr store1 > 1.505 ) ((attr store1 < 7.288 and attr store1 > 7.228 ) and (bondedto (attr store1 < 132.624083947 and attr store1 > 131.824083947 ) or bondedto (attr store1 < 37.1386386844 and attr store1 > 36.3386386844 ))) 6 0.1 0.1 peak 2030 volume 13.40004 ppm1 7.258 ppm2 1.555 ! ############### C13_CNnoesy_manual.2031 folded - assi (attr store1 < 1.4 and attr store1 > 1.3 ) ((attr store1 < 7.289 and attr store1 > 7.229 ) and (bondedto (attr store1 < 132.578083947 and attr store1 > 131.778083947 ) or bondedto (attr store1 < 37.0926386844 and attr store1 > 36.2926386844 ))) 6 0.1 0.1 peak 2031 volume 6.54419 ppm1 7.259 ppm2 1.350 ! ############### C13_CNnoesy_manual.2032 folded - assi (attr store1 < 1.075 and attr store1 > 0.975 ) ((attr store1 < 7.29 and attr store1 > 7.23 ) and (bondedto (attr store1 < 132.629083947 and attr store1 > 131.829083947 ) or bondedto (attr store1 < 37.1436386844 and attr store1 > 36.3436386844 ))) 6 0.1 0.1 peak 2032 volume 7.77598 ppm1 7.260 ppm2 1.025 ! ############### C13_CNnoesy_manual.2033 folded - assi (attr store1 < 0.91 and attr store1 > 0.81 ) ((attr store1 < 7.29 and attr store1 > 7.23 ) and (bondedto (attr store1 < 132.630083947 and attr store1 > 131.830083947 ) or bondedto (attr store1 < 37.1446386844 and attr store1 > 36.3446386844 ))) 6 0.1 0.1 peak 2033 volume 21.1311 ppm1 7.260 ppm2 0.860 ! ############### C13_CNnoesy_manual.2034 folded - assi (attr store1 < 7.055 and attr store1 > 6.955 ) ((attr store1 < 2.496 and attr store1 > 2.436 ) and (bondedto (attr store1 < 132.655083947 and attr store1 > 131.855083947 ) or bondedto (attr store1 < 37.1696386844 and attr store1 > 36.3696386844 ))) 6 0.1 0.1 peak 2034 volume 12.00661 ppm1 2.466 ppm2 7.005 ! ############### C13_CNnoesy_manual.2035 folded - assi (attr store1 < 0.129 and attr store1 > 0.029 ) ((attr store1 < 7.342 and attr store1 > 7.282 ) and (bondedto (attr store1 < 132.522083947 and attr store1 > 131.722083947 ) or bondedto (attr store1 < 37.0366386844 and attr store1 > 36.2366386844 ))) 6 0.1 0.1 peak 2035 volume 8.47023 ppm1 7.312 ppm2 0.079 ! ############### C13_CNnoesy_manual.2036 folded - assi (attr store1 < 1.767 and attr store1 > 1.667 ) ((attr store1 < 7.334 and attr store1 > 7.274 ) and (bondedto (attr store1 < 132.481083947 and attr store1 > 131.681083947 ) or bondedto (attr store1 < 36.9956386844 and attr store1 > 36.1956386844 ))) 6 0.1 0.1 peak 2036 volume 5.54823 ppm1 7.304 ppm2 1.717 ! ############### C13_CNnoesy_manual.2037 folded - assi (attr store1 < 0.914 and attr store1 > 0.814 ) ((attr store1 < 7.335 and attr store1 > 7.275 ) and (bondedto (attr store1 < 132.511083947 and attr store1 > 131.711083947 ) or bondedto (attr store1 < 37.0256386844 and attr store1 > 36.2256386844 ))) 6 0.1 0.1 peak 2037 volume 20.31715 ppm1 7.305 ppm2 0.864 ! ############### C13_CNnoesy_manual.2038 folded - assi (attr store1 < 0.353 and attr store1 > 0.253 ) ((attr store1 < 7.335 and attr store1 > 7.275 ) and (bondedto (attr store1 < 132.480083947 and attr store1 > 131.680083947 ) or bondedto (attr store1 < 36.9946386844 and attr store1 > 36.1946386844 ))) 6 0.1 0.1 peak 2038 volume 6.18646 ppm1 7.305 ppm2 0.303 ! ############### C13_CNnoesy_manual.2039 folded - assi (attr store1 < 7.367 and attr store1 > 7.267 ) ((attr store1 < 7.711 and attr store1 > 7.651 ) and (bondedto (attr store1 < 132.428083947 and attr store1 > 131.628083947 ) or bondedto (attr store1 < 36.9426386844 and attr store1 > 36.1426386844 ))) 6 0.1 0.1 peak 2039 volume 129.45839 ppm1 7.681 ppm2 7.317 ! ############### C13_CNnoesy_manual.2040 folded - assi (attr store1 < 7.732 and attr store1 > 7.632 ) ((attr store1 < 7.341 and attr store1 > 7.281 ) and (bondedto (attr store1 < 132.443083947 and attr store1 > 131.643083947 ) or bondedto (attr store1 < 36.9576386844 and attr store1 > 36.1576386844 ))) 6 0.1 0.1 peak 2040 volume 102.11601 ppm1 7.311 ppm2 7.682 ! ############### C13_CNnoesy_manual.2041 folded - assi (attr store1 < 4.914 and attr store1 > 4.814 ) ((attr store1 < 7.34 and attr store1 > 7.28 ) and (bondedto (attr store1 < 132.430083947 and attr store1 > 131.630083947 ) or bondedto (attr store1 < 36.9446386844 and attr store1 > 36.1446386844 ))) 6 0.1 0.1 peak 2041 volume 12.1747 ppm1 7.310 ppm2 4.864 ! ############### C13_CNnoesy_manual.2042 folded - assi (attr store1 < 3.06 and attr store1 > 2.96 ) ((attr store1 < 7.341 and attr store1 > 7.281 ) and (bondedto (attr store1 < 132.470083947 and attr store1 > 131.670083947 ) or bondedto (attr store1 < 36.9846386844 and attr store1 > 36.1846386844 ))) 6 0.1 0.1 peak 2042 volume 9.0572 ppm1 7.311 ppm2 3.010 ! ############### C13_CNnoesy_manual.2043 folded - assi (attr store1 < 7.732 and attr store1 > 7.632 ) ((attr store1 < 7.711 and attr store1 > 7.651 ) and (bondedto (attr store1 < 132.328083947 and attr store1 > 131.528083947 ) or bondedto (attr store1 < 36.8426386844 and attr store1 > 36.0426386844 ))) 6 0.1 0.1 peak 2043 volume 265.52704 ppm1 7.681 ppm2 7.682 ! ############### C13_CNnoesy_manual.2044 folded - assi (attr store1 < 6.81 and attr store1 > 6.71 ) ((attr store1 < 7.711 and attr store1 > 7.651 ) and (bondedto (attr store1 < 132.336083947 and attr store1 > 131.536083947 ) or bondedto (attr store1 < 36.8506386844 and attr store1 > 36.0506386844 ))) 6 0.1 0.1 peak 2044 volume 12.31918 ppm1 7.681 ppm2 6.760 ! ############### C13_CNnoesy_manual.2045 folded - assi (attr store1 < 4.924 and attr store1 > 4.824 ) ((attr store1 < 7.712 and attr store1 > 7.652 ) and (bondedto (attr store1 < 132.313083947 and attr store1 > 131.513083947 ) or bondedto (attr store1 < 36.8276386844 and attr store1 > 36.0276386844 ))) 6 0.1 0.1 peak 2045 volume 27.38224 ppm1 7.682 ppm2 4.874 ! ############### C13_CNnoesy_manual.2046 folded - assi (attr store1 < 3.68 and attr store1 > 3.58 ) ((attr store1 < 7.712 and attr store1 > 7.652 ) and (bondedto (attr store1 < 132.294083947 and attr store1 > 131.494083947 ) or bondedto (attr store1 < 36.8086386844 and attr store1 > 36.0086386844 ))) 6 0.1 0.1 peak 2046 volume 14.88685 ppm1 7.682 ppm2 3.630 ! ############### C13_CNnoesy_manual.2047 folded - assi (attr store1 < 3.059 and attr store1 > 2.959 ) ((attr store1 < 7.712 and attr store1 > 7.652 ) and (bondedto (attr store1 < 132.347083947 and attr store1 > 131.547083947 ) or bondedto (attr store1 < 36.8616386844 and attr store1 > 36.0616386844 ))) 6 0.1 0.1 peak 2047 volume 21.15586 ppm1 7.682 ppm2 3.009 ! ############### C13_CNnoesy_manual.2048 folded - assi (attr store1 < 0.932 and attr store1 > 0.832 ) ((attr store1 < 7.712 and attr store1 > 7.652 ) and (bondedto (attr store1 < 132.356083947 and attr store1 > 131.556083947 ) or bondedto (attr store1 < 36.8706386844 and attr store1 > 36.0706386844 ))) 6 0.1 0.1 peak 2048 volume 22.35238 ppm1 7.682 ppm2 0.882 ! ############### C13_CNnoesy_manual.2049 folded - assi (attr store1 < 0.126 and attr store1 > 0.026 ) ((attr store1 < 7.711 and attr store1 > 7.651 ) and (bondedto (attr store1 < 132.349083947 and attr store1 > 131.549083947 ) or bondedto (attr store1 < 36.8636386844 and attr store1 > 36.0636386844 ))) 6 0.1 0.1 peak 2049 volume 10.22805 ppm1 7.681 ppm2 0.076 ! ############### C13_CNnoesy_manual.2050 folded - assi (attr store1 < 8.09 and attr store1 > 7.99 ) ((attr store1 < 2.574 and attr store1 > 2.514 ) and (bondedto (attr store1 < 132.256083947 and attr store1 > 131.456083947 ) or bondedto (attr store1 < 36.7706386844 and attr store1 > 35.9706386844 ))) 6 0.1 0.1 peak 2050 volume 18.52371 ppm1 2.544 ppm2 8.040 ! ############### C13_CNnoesy_manual.2051 folded - assi (attr store1 < 4.227 and attr store1 > 4.127 ) ((attr store1 < 2.571 and attr store1 > 2.511 ) and (bondedto (attr store1 < 132.282083947 and attr store1 > 131.482083947 ) or bondedto (attr store1 < 36.7966386844 and attr store1 > 35.9966386844 ))) 6 0.1 0.1 peak 2051 volume 27.55851 ppm1 2.541 ppm2 4.177 ! ############### C13_CNnoesy_manual.2052 folded - assi (attr store1 < 2.591 and attr store1 > 2.491 ) ((attr store1 < 2.573 and attr store1 > 2.513 ) and (bondedto (attr store1 < 132.264083947 and attr store1 > 131.464083947 ) or bondedto (attr store1 < 36.7786386844 and attr store1 > 35.9786386844 ))) 6 0.1 0.1 peak 2052 volume 523.98627 ppm1 2.543 ppm2 2.541 ! ############### C13_CNnoesy_manual.2053 folded - assi (attr store1 < 2.319 and attr store1 > 2.219 ) ((attr store1 < 2.57 and attr store1 > 2.51 ) and (bondedto (attr store1 < 132.271083947 and attr store1 > 131.471083947 ) or bondedto (attr store1 < 36.7856386844 and attr store1 > 35.9856386844 ))) 6 0.1 0.1 peak 2053 volume 222.88301 ppm1 2.540 ppm2 2.269 ! ############### C13_CNnoesy_manual.2054 folded - assi (attr store1 < 1.947 and attr store1 > 1.847 ) ((attr store1 < 2.567 and attr store1 > 2.507 ) and (bondedto (attr store1 < 132.229083947 and attr store1 > 131.429083947 ) or bondedto (attr store1 < 36.7436386844 and attr store1 > 35.9436386844 ))) 6 0.1 0.1 peak 2054 volume 7.19257 ppm1 2.537 ppm2 1.897 ! ############### C13_CNnoesy_manual.2055 folded - assi (attr store1 < 7.749 and attr store1 > 7.649 ) ((attr store1 < 2.325 and attr store1 > 2.265 ) and (bondedto (attr store1 < 132.213083947 and attr store1 > 131.413083947 ) or bondedto (attr store1 < 36.7276386844 and attr store1 > 35.9276386844 ))) 6 0.1 0.1 peak 2055 volume 31.17482 ppm1 2.295 ppm2 7.699 ! ############### C13_CNnoesy_manual.2056 folded - assi (attr store1 < 1.404 and attr store1 > 1.304 ) ((attr store1 < 2.325 and attr store1 > 2.265 ) and (bondedto (attr store1 < 132.203083947 and attr store1 > 131.403083947 ) or bondedto (attr store1 < 36.7176386844 and attr store1 > 35.9176386844 ))) 6 0.1 0.1 peak 2056 volume 33.98287 ppm1 2.295 ppm2 1.354 ! ############### C13_CNnoesy_manual.2057 folded - assi (attr store1 < 0.964 and attr store1 > 0.864 ) ((attr store1 < 2.325 and attr store1 > 2.265 ) and (bondedto (attr store1 < 132.209083947 and attr store1 > 131.409083947 ) or bondedto (attr store1 < 36.7236386844 and attr store1 > 35.9236386844 ))) 6 0.1 0.1 peak 2057 volume 22.93686 ppm1 2.295 ppm2 0.914 ! ############### C13_CNnoesy_manual.2058 folded - assi (attr store1 < 0.804 and attr store1 > 0.704 ) ((attr store1 < 2.325 and attr store1 > 2.265 ) and (bondedto (attr store1 < 132.192083947 and attr store1 > 131.392083947 ) or bondedto (attr store1 < 36.7066386844 and attr store1 > 35.9066386844 ))) 6 0.1 0.1 peak 2058 volume 86.73003 ppm1 2.295 ppm2 0.754 ! ############### C13_CNnoesy_manual.2059 folded - assi (attr store1 < 4.207 and attr store1 > 4.107 ) ((attr store1 < 2.297 and attr store1 > 2.237 ) and (bondedto (attr store1 < 132.240083947 and attr store1 > 131.440083947 ) or bondedto (attr store1 < 36.7546386844 and attr store1 > 35.9546386844 ))) 6 0.1 0.1 peak 2059 volume 32.47763 ppm1 2.267 ppm2 4.157 ! ############### C13_CNnoesy_manual.2060 folded - assi (attr store1 < 2.325 and attr store1 > 2.225 ) ((attr store1 < 2.308 and attr store1 > 2.248 ) and (bondedto (attr store1 < 132.259083947 and attr store1 > 131.459083947 ) or bondedto (attr store1 < 36.7736386844 and attr store1 > 35.9736386844 ))) 6 0.1 0.1 peak 2060 volume 655.95605 ppm1 2.278 ppm2 2.275 ! ############### C13_CNnoesy_manual.2061 folded - assi (attr store1 < 2.587 and attr store1 > 2.487 ) ((attr store1 < 2.289 and attr store1 > 2.229 ) and (bondedto (attr store1 < 132.274083947 and attr store1 > 131.474083947 ) or bondedto (attr store1 < 36.7886386844 and attr store1 > 35.9886386844 ))) 6 0.1 0.1 peak 2061 volume 208.92067 ppm1 2.259 ppm2 2.537 ! ############### C13_CNnoesy_manual.2062 folded + assi (attr store1 < 7.624 and attr store1 > 7.524 ) ((attr store1 < 7.613 and attr store1 > 7.553 ) and (bondedto (attr store1 < 108.244722631 and attr store1 > 107.444722631 ) or bondedto (attr store1 < 60.502 and attr store1 > 59.702 ) or bondedto (attr store1 < 12.7592773688 and attr store1 > 11.9592773688 ))) 6 0.1 0.1 peak 2062 volume 8.84135 ppm1 7.583 ppm2 7.574 ! ############### C13_CNnoesy_manual.2063 folded + assi (attr store1 < 8.379 and attr store1 > 8.279 ) ((attr store1 < 4.593 and attr store1 > 4.533 ) and (bondedto (attr store1 < 108.238722631 and attr store1 > 107.438722631 ) or bondedto (attr store1 < 60.496 and attr store1 > 59.696 ) or bondedto (attr store1 < 12.7532773688 and attr store1 > 11.9532773688 ))) 6 0.1 0.1 peak 2063 volume 10.55777 ppm1 4.563 ppm2 8.329 ! ############### C13_CNnoesy_manual.2064 folded + assi (attr store1 < 3.509 and attr store1 > 3.409 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 108.227722631 and attr store1 > 107.427722631 ) or bondedto (attr store1 < 60.485 and attr store1 > 59.685 ) or bondedto (attr store1 < 12.7422773688 and attr store1 > 11.9422773688 ))) 6 0.1 0.1 peak 2064 volume 96.82970 ppm1 4.566 ppm2 3.459 ! ############### C13_CNnoesy_manual.2065 folded + assi (attr store1 < 1.053 and attr store1 > 0.953 ) ((attr store1 < 4.594 and attr store1 > 4.534 ) and (bondedto (attr store1 < 108.231722631 and attr store1 > 107.431722631 ) or bondedto (attr store1 < 60.489 and attr store1 > 59.689 ) or bondedto (attr store1 < 12.7462773688 and attr store1 > 11.9462773688 ))) 6 0.1 0.1 peak 2065 volume 25.11197 ppm1 4.564 ppm2 1.003 ! ############### C13_CNnoesy_manual.2066 folded + assi (attr store1 < 5.144 and attr store1 > 5.044 ) ((attr store1 < 4.236 and attr store1 > 4.176 ) and (bondedto (attr store1 < 108.247722631 and attr store1 > 107.447722631 ) or bondedto (attr store1 < 60.505 and attr store1 > 59.705 ) or bondedto (attr store1 < 12.7622773688 and attr store1 > 11.9622773688 ))) 6 0.1 0.1 peak 2066 volume 7.42736 ppm1 4.206 ppm2 5.094 ! ############### C13_CNnoesy_manual.2067 folded + assi (attr store1 < 8.704 and attr store1 > 8.604 ) ((attr store1 < 4.229 and attr store1 > 4.169 ) and (bondedto (attr store1 < 108.236722631 and attr store1 > 107.436722631 ) or bondedto (attr store1 < 60.494 and attr store1 > 59.694 ) or bondedto (attr store1 < 12.7512773688 and attr store1 > 11.9512773688 ))) 6 0.1 0.1 peak 2067 volume 35.99389 ppm1 4.199 ppm2 8.654 ! ############### C13_CNnoesy_manual.2068 folded + assi (attr store1 < 7.463 and attr store1 > 7.363 ) ((attr store1 < 4.231 and attr store1 > 4.171 ) and (bondedto (attr store1 < 108.267722631 and attr store1 > 107.467722631 ) or bondedto (attr store1 < 60.525 and attr store1 > 59.725 ) or bondedto (attr store1 < 12.7822773688 and attr store1 > 11.9822773688 ))) 6 0.1 0.1 peak 2068 volume 9.25278 ppm1 4.201 ppm2 7.413 ! ############### C13_CNnoesy_manual.2069 folded + assi (attr store1 < 6.557 and attr store1 > 6.457 ) ((attr store1 < 4.231 and attr store1 > 4.171 ) and (bondedto (attr store1 < 108.284722631 and attr store1 > 107.484722631 ) or bondedto (attr store1 < 60.542 and attr store1 > 59.742 ) or bondedto (attr store1 < 12.7992773688 and attr store1 > 11.9992773688 ))) 6 0.1 0.1 peak 2069 volume 6.29979 ppm1 4.201 ppm2 6.507 ! ############### C13_CNnoesy_manual.2070 folded + assi (attr store1 < 2.029 and attr store1 > 1.929 ) ((attr store1 < 4.229 and attr store1 > 4.169 ) and (bondedto (attr store1 < 108.244722631 and attr store1 > 107.444722631 ) or bondedto (attr store1 < 60.502 and attr store1 > 59.702 ) or bondedto (attr store1 < 12.7592773688 and attr store1 > 11.9592773688 ))) 6 0.1 0.1 peak 2070 volume 57.82504 ppm1 4.199 ppm2 1.979 ! ############### C13_CNnoesy_manual.2071 folded + assi (attr store1 < 1.553 and attr store1 > 1.453 ) ((attr store1 < 4.23 and attr store1 > 4.17 ) and (bondedto (attr store1 < 108.270722631 and attr store1 > 107.470722631 ) or bondedto (attr store1 < 60.528 and attr store1 > 59.728 ) or bondedto (attr store1 < 12.7852773688 and attr store1 > 11.9852773688 ))) 6 0.1 0.1 peak 2071 volume 36.79914 ppm1 4.200 ppm2 1.503 ! ############### C13_CNnoesy_manual.2072 folded - assi (attr store1 < 1.753 and attr store1 > 1.653 ) ((attr store1 < 2.324 and attr store1 > 2.264 ) and (bondedto (attr store1 < 132.188083947 and attr store1 > 131.388083947 ) or bondedto (attr store1 < 36.7026386844 and attr store1 > 35.9026386844 ))) 6 0.1 0.1 peak 2072 volume 21.02995 ppm1 2.294 ppm2 1.703 ! ############### C13_CNnoesy_manual.2073 folded + assi (attr store1 < 7.777 and attr store1 > 7.677 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 108.210722631 and attr store1 > 107.410722631 ) or bondedto (attr store1 < 60.468 and attr store1 > 59.668 ) or bondedto (attr store1 < 12.7252773688 and attr store1 > 11.9252773688 ))) 6 0.1 0.1 peak 2073 volume 31.75878 ppm1 4.566 ppm2 7.727 ! ############### C13_CNnoesy_manual.2074 folded + assi (attr store1 < 7.501 and attr store1 > 7.401 ) ((attr store1 < 4.594 and attr store1 > 4.534 ) and (bondedto (attr store1 < 108.182722631 and attr store1 > 107.382722631 ) or bondedto (attr store1 < 60.44 and attr store1 > 59.64 ) or bondedto (attr store1 < 12.6972773688 and attr store1 > 11.8972773688 ))) 6 0.1 0.1 peak 2074 volume 8.54131 ppm1 4.564 ppm2 7.451 ! ############### C13_CNnoesy_manual.2075 folded + assi (attr store1 < 4.61 and attr store1 > 4.51 ) ((attr store1 < 4.59 and attr store1 > 4.53 ) and (bondedto (attr store1 < 108.196722631 and attr store1 > 107.396722631 ) or bondedto (attr store1 < 60.454 and attr store1 > 59.654 ) or bondedto (attr store1 < 12.7112773688 and attr store1 > 11.9112773688 ))) 6 0.1 0.1 peak 2075 volume 1354.20435 ppm1 4.560 ppm2 4.560 ! ############### C13_CNnoesy_manual.2076 folded + assi (attr store1 < 4.444 and attr store1 > 4.344 ) ((attr store1 < 4.589 and attr store1 > 4.529 ) and (bondedto (attr store1 < 108.152722631 and attr store1 > 107.352722631 ) or bondedto (attr store1 < 60.41 and attr store1 > 59.61 ) or bondedto (attr store1 < 12.6672773688 and attr store1 > 11.8672773688 ))) 6 0.1 0.1 peak 2076 volume 27.83406 ppm1 4.559 ppm2 4.394 ! ############### C13_CNnoesy_manual.2077 folded + assi (attr store1 < 1.842 and attr store1 > 1.742 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 108.201722631 and attr store1 > 107.401722631 ) or bondedto (attr store1 < 60.459 and attr store1 > 59.659 ) or bondedto (attr store1 < 12.7162773688 and attr store1 > 11.9162773688 ))) 6 0.1 0.1 peak 2077 volume 36.62316 ppm1 4.566 ppm2 1.792 ! ############### C13_CNnoesy_manual.2078 folded + assi (attr store1 < 1.35 and attr store1 > 1.25 ) ((attr store1 < 4.594 and attr store1 > 4.534 ) and (bondedto (attr store1 < 108.155722631 and attr store1 > 107.355722631 ) or bondedto (attr store1 < 60.413 and attr store1 > 59.613 ) or bondedto (attr store1 < 12.6702773688 and attr store1 > 11.8702773688 ))) 6 0.1 0.1 peak 2078 volume 6.70238 ppm1 4.564 ppm2 1.300 ! ############### C13_CNnoesy_manual.2079 folded + assi (attr store1 < 8.114 and attr store1 > 8.014 ) ((attr store1 < 4.587 and attr store1 > 4.527 ) and (bondedto (attr store1 < 108.140722631 and attr store1 > 107.340722631 ) or bondedto (attr store1 < 60.398 and attr store1 > 59.598 ) or bondedto (attr store1 < 12.6552773688 and attr store1 > 11.8552773688 ))) 6 0.1 0.1 peak 2079 volume 31.26128 ppm1 4.557 ppm2 8.064 ! ############### C13_CNnoesy_manual.2080 folded + assi (attr store1 < 4.875 and attr store1 > 4.775 ) ((attr store1 < 4.586 and attr store1 > 4.526 ) and (bondedto (attr store1 < 108.176722631 and attr store1 > 107.376722631 ) or bondedto (attr store1 < 60.434 and attr store1 > 59.634 ) or bondedto (attr store1 < 12.6912773688 and attr store1 > 11.8912773688 ))) 6 0.1 0.1 peak 2080 volume 42.64497 ppm1 4.556 ppm2 4.825 ! ############### C13_CNnoesy_manual.2081 folded + assi (attr store1 < 4.343 and attr store1 > 4.243 ) ((attr store1 < 4.586 and attr store1 > 4.526 ) and (bondedto (attr store1 < 108.202722631 and attr store1 > 107.402722631 ) or bondedto (attr store1 < 60.46 and attr store1 > 59.66 ) or bondedto (attr store1 < 12.7172773688 and attr store1 > 11.9172773688 ))) 6 0.1 0.1 peak 2081 volume 16.35700 ppm1 4.556 ppm2 4.293 ! ############### C13_CNnoesy_manual.2082 folded + assi (attr store1 < 2.26 and attr store1 > 2.16 ) ((attr store1 < 4.587 and attr store1 > 4.527 ) and (bondedto (attr store1 < 108.223722631 and attr store1 > 107.423722631 ) or bondedto (attr store1 < 60.481 and attr store1 > 59.681 ) or bondedto (attr store1 < 12.7382773688 and attr store1 > 11.9382773688 ))) 6 0.1 0.1 peak 2082 volume 9.46778 ppm1 4.557 ppm2 2.210 ! ############### C13_CNnoesy_manual.2083 folded + assi (attr store1 < 1.888 and attr store1 > 1.788 ) ((attr store1 < 4.227 and attr store1 > 4.167 ) and (bondedto (attr store1 < 108.214722631 and attr store1 > 107.414722631 ) or bondedto (attr store1 < 60.472 and attr store1 > 59.672 ) or bondedto (attr store1 < 12.7292773688 and attr store1 > 11.9292773688 ))) 6 0.1 0.1 peak 2083 volume 33.76219 ppm1 4.197 ppm2 1.838 ! ############### C13_CNnoesy_manual.2084 folded + assi (attr store1 < 8.768 and attr store1 > 8.668 ) ((attr store1 < 4.06 and attr store1 > 4.0 ) and (bondedto (attr store1 < 108.172722631 and attr store1 > 107.372722631 ) or bondedto (attr store1 < 60.43 and attr store1 > 59.63 ) or bondedto (attr store1 < 12.6872773688 and attr store1 > 11.8872773688 ))) 6 0.1 0.1 peak 2084 volume 37.22023 ppm1 4.030 ppm2 8.718 ! ############### C13_CNnoesy_manual.2085 folded + assi (attr store1 < 8.588 and attr store1 > 8.488 ) ((attr store1 < 4.06 and attr store1 > 4.0 ) and (bondedto (attr store1 < 108.166722631 and attr store1 > 107.366722631 ) or bondedto (attr store1 < 60.424 and attr store1 > 59.624 ) or bondedto (attr store1 < 12.6812773688 and attr store1 > 11.8812773688 ))) 6 0.1 0.1 peak 2085 volume 15.84741 ppm1 4.030 ppm2 8.538 ! ############### C13_CNnoesy_manual.2086 folded + assi (attr store1 < 7.338 and attr store1 > 7.238 ) ((attr store1 < 4.061 and attr store1 > 4.001 ) and (bondedto (attr store1 < 108.199722631 and attr store1 > 107.399722631 ) or bondedto (attr store1 < 60.457 and attr store1 > 59.657 ) or bondedto (attr store1 < 12.7142773688 and attr store1 > 11.9142773688 ))) 6 0.1 0.1 peak 2086 volume 6.17823 ppm1 4.031 ppm2 7.288 ! ############### C13_CNnoesy_manual.2087 folded + assi (attr store1 < 7.182 and attr store1 > 7.082 ) ((attr store1 < 4.061 and attr store1 > 4.001 ) and (bondedto (attr store1 < 108.198722631 and attr store1 > 107.398722631 ) or bondedto (attr store1 < 60.456 and attr store1 > 59.656 ) or bondedto (attr store1 < 12.7132773688 and attr store1 > 11.9132773688 ))) 6 0.1 0.1 peak 2087 volume 11.26329 ppm1 4.031 ppm2 7.132 ! ############### C13_CNnoesy_manual.2088 folded + assi (attr store1 < 4.082 and attr store1 > 3.982 ) ((attr store1 < 4.06 and attr store1 > 4.0 ) and (bondedto (attr store1 < 108.148722631 and attr store1 > 107.348722631 ) or bondedto (attr store1 < 60.406 and attr store1 > 59.606 ) or bondedto (attr store1 < 12.6632773688 and attr store1 > 11.8632773688 ))) 6 0.1 0.1 peak 2088 volume 552.19397 ppm1 4.030 ppm2 4.032 ! ############### C13_CNnoesy_manual.2089 folded + assi (attr store1 < 2.633 and attr store1 > 2.533 ) ((attr store1 < 4.06 and attr store1 > 4.0 ) and (bondedto (attr store1 < 108.154722631 and attr store1 > 107.354722631 ) or bondedto (attr store1 < 60.412 and attr store1 > 59.612 ) or bondedto (attr store1 < 12.6692773688 and attr store1 > 11.8692773688 ))) 6 0.1 0.1 peak 2089 volume 16.07430 ppm1 4.030 ppm2 2.583 ! ############### C13_CNnoesy_manual.2090 folded + assi (attr store1 < 2.458 and attr store1 > 2.358 ) ((attr store1 < 4.061 and attr store1 > 4.001 ) and (bondedto (attr store1 < 108.154722631 and attr store1 > 107.354722631 ) or bondedto (attr store1 < 60.412 and attr store1 > 59.612 ) or bondedto (attr store1 < 12.6692773688 and attr store1 > 11.8692773688 ))) 6 0.1 0.1 peak 2090 volume 43.49272 ppm1 4.031 ppm2 2.408 ! ############### C13_CNnoesy_manual.2091 folded + assi (attr store1 < 2.331 and attr store1 > 2.231 ) ((attr store1 < 4.061 and attr store1 > 4.001 ) and (bondedto (attr store1 < 108.173722631 and attr store1 > 107.373722631 ) or bondedto (attr store1 < 60.431 and attr store1 > 59.631 ) or bondedto (attr store1 < 12.6882773688 and attr store1 > 11.8882773688 ))) 6 0.1 0.1 peak 2091 volume 41.13408 ppm1 4.031 ppm2 2.281 ! ############### C13_CNnoesy_manual.2092 folded + assi (attr store1 < 2.188 and attr store1 > 2.088 ) ((attr store1 < 4.06 and attr store1 > 4.0 ) and (bondedto (attr store1 < 108.152722631 and attr store1 > 107.352722631 ) or bondedto (attr store1 < 60.41 and attr store1 > 59.61 ) or bondedto (attr store1 < 12.6672773688 and attr store1 > 11.8672773688 ))) 6 0.1 0.1 peak 2092 volume 57.72139 ppm1 4.030 ppm2 2.138 ! ############### C13_CNnoesy_manual.2093 folded + assi (attr store1 < 1.625 and attr store1 > 1.525 ) ((attr store1 < 4.06 and attr store1 > 4.0 ) and (bondedto (attr store1 < 108.182722631 and attr store1 > 107.382722631 ) or bondedto (attr store1 < 60.44 and attr store1 > 59.64 ) or bondedto (attr store1 < 12.6972773688 and attr store1 > 11.8972773688 ))) 6 0.1 0.1 peak 2093 volume 59.21191 ppm1 4.030 ppm2 1.575 ! ############### C13_CNnoesy_manual.2094 folded + assi (attr store1 < 0.956 and attr store1 > 0.856 ) ((attr store1 < 4.06 and attr store1 > 4.0 ) and (bondedto (attr store1 < 108.167722631 and attr store1 > 107.367722631 ) or bondedto (attr store1 < 60.425 and attr store1 > 59.625 ) or bondedto (attr store1 < 12.6822773688 and attr store1 > 11.8822773688 ))) 6 0.1 0.1 peak 2094 volume 71.89327 ppm1 4.030 ppm2 0.906 ! ############### C13_CNnoesy_manual.2095 folded + assi (attr store1 < 1.661 and attr store1 > 1.561 ) ((attr store1 < 4.595 and attr store1 > 4.535 ) and (bondedto (attr store1 < 108.125722631 and attr store1 > 107.325722631 ) or bondedto (attr store1 < 60.383 and attr store1 > 59.583 ) or bondedto (attr store1 < 12.6402773688 and attr store1 > 11.8402773688 ))) 6 0.1 0.1 peak 2095 volume 10.11531 ppm1 4.565 ppm2 1.611 ! ############### C13_CNnoesy_manual.2096 folded + assi (attr store1 < 4.18 and attr store1 > 4.08 ) ((attr store1 < 4.584 and attr store1 > 4.524 ) and (bondedto (attr store1 < 108.130722631 and attr store1 > 107.330722631 ) or bondedto (attr store1 < 60.388 and attr store1 > 59.588 ) or bondedto (attr store1 < 12.6452773688 and attr store1 > 11.8452773688 ))) 6 0.1 0.1 peak 2096 volume 141.92435 ppm1 4.554 ppm2 4.130 ! ############### C13_CNnoesy_manual.2097 folded + assi (attr store1 < 7.278 and attr store1 > 7.178 ) ((attr store1 < 4.138 and attr store1 > 4.078 ) and (bondedto (attr store1 < 108.054722631 and attr store1 > 107.254722631 ) or bondedto (attr store1 < 60.312 and attr store1 > 59.512 ) or bondedto (attr store1 < 12.5692773688 and attr store1 > 11.7692773688 ))) 6 0.1 0.1 peak 2097 volume 18.39451 ppm1 4.108 ppm2 7.228 ! ############### C13_CNnoesy_manual.2098 folded + assi (attr store1 < 0.11 and attr store1 > 0.01 ) ((attr store1 < 4.138 and attr store1 > 4.078 ) and (bondedto (attr store1 < 108.044722631 and attr store1 > 107.244722631 ) or bondedto (attr store1 < 60.302 and attr store1 > 59.502 ) or bondedto (attr store1 < 12.5592773688 and attr store1 > 11.7592773688 ))) 6 0.1 0.1 peak 2098 volume 34.89150 ppm1 4.108 ppm2 0.060 ! ############### C13_CNnoesy_manual.2099 folded + assi (attr store1 < 3.869 and attr store1 > 3.769 ) ((attr store1 < 0.772 and attr store1 > 0.712 ) and (bondedto (attr store1 < 108.043722631 and attr store1 > 107.243722631 ) or bondedto (attr store1 < 60.301 and attr store1 > 59.501 ) or bondedto (attr store1 < 12.5582773688 and attr store1 > 11.7582773688 ))) 6 0.1 0.1 peak 2099 volume 19.44604 ppm1 0.742 ppm2 3.819 ! ############### C13_CNnoesy_manual.2100 folded + assi (attr store1 < 8.737 and attr store1 > 8.637 ) ((attr store1 < 4.302 and attr store1 > 4.242 ) and (bondedto (attr store1 < 107.963722631 and attr store1 > 107.163722631 ) or bondedto (attr store1 < 60.221 and attr store1 > 59.421 ) or bondedto (attr store1 < 12.4782773688 and attr store1 > 11.6782773688 ))) 6 0.1 0.1 peak 2100 volume 50.47851 ppm1 4.272 ppm2 8.687 ! ############### C13_CNnoesy_manual.2101 folded + assi (attr store1 < 1.098 and attr store1 > 0.998 ) ((attr store1 < 4.302 and attr store1 > 4.242 ) and (bondedto (attr store1 < 107.951722631 and attr store1 > 107.151722631 ) or bondedto (attr store1 < 60.209 and attr store1 > 59.409 ) or bondedto (attr store1 < 12.4662773688 and attr store1 > 11.6662773688 ))) 6 0.1 0.1 peak 2101 volume 10.95397 ppm1 4.272 ppm2 1.048 ! ############### C13_CNnoesy_manual.2102 folded + assi (attr store1 < 2.297 and attr store1 > 2.197 ) ((attr store1 < 4.301 and attr store1 > 4.241 ) and (bondedto (attr store1 < 107.954722631 and attr store1 > 107.154722631 ) or bondedto (attr store1 < 60.212 and attr store1 > 59.412 ) or bondedto (attr store1 < 12.4692773688 and attr store1 > 11.6692773688 ))) 6 0.1 0.1 peak 2102 volume 82.74334 ppm1 4.271 ppm2 2.247 ! ############### C13_CNnoesy_manual.2103 folded + assi (attr store1 < 2.591 and attr store1 > 2.491 ) ((attr store1 < 4.214 and attr store1 > 4.154 ) and (bondedto (attr store1 < 107.971722631 and attr store1 > 107.171722631 ) or bondedto (attr store1 < 60.229 and attr store1 > 59.429 ) or bondedto (attr store1 < 12.4862773688 and attr store1 > 11.6862773688 ))) 6 0.1 0.1 peak 2103 volume 44.18481 ppm1 4.184 ppm2 2.541 ! ############### C13_CNnoesy_manual.2104 folded + assi (attr store1 < 2.414 and attr store1 > 2.314 ) ((attr store1 < 4.214 and attr store1 > 4.154 ) and (bondedto (attr store1 < 107.972722631 and attr store1 > 107.172722631 ) or bondedto (attr store1 < 60.23 and attr store1 > 59.43 ) or bondedto (attr store1 < 12.4872773688 and attr store1 > 11.6872773688 ))) 6 0.1 0.1 peak 2104 volume 109.84421 ppm1 4.184 ppm2 2.364 ! ############### C13_CNnoesy_manual.2105 folded + assi (attr store1 < 2.293 and attr store1 > 2.193 ) ((attr store1 < 4.213 and attr store1 > 4.153 ) and (bondedto (attr store1 < 107.969722631 and attr store1 > 107.169722631 ) or bondedto (attr store1 < 60.227 and attr store1 > 59.427 ) or bondedto (attr store1 < 12.4842773688 and attr store1 > 11.6842773688 ))) 6 0.1 0.1 peak 2105 volume 68.34117 ppm1 4.183 ppm2 2.243 ! ############### C13_CNnoesy_manual.2106 folded + assi (attr store1 < 1.147 and attr store1 > 1.047 ) ((attr store1 < 4.213 and attr store1 > 4.153 ) and (bondedto (attr store1 < 108.001722631 and attr store1 > 107.201722631 ) or bondedto (attr store1 < 60.259 and attr store1 > 59.459 ) or bondedto (attr store1 < 12.5162773688 and attr store1 > 11.7162773688 ))) 6 0.1 0.1 peak 2106 volume 15.06281 ppm1 4.183 ppm2 1.097 ! ############### C13_CNnoesy_manual.2107 folded + assi (attr store1 < 8.147 and attr store1 > 8.047 ) ((attr store1 < 4.134 and attr store1 > 4.074 ) and (bondedto (attr store1 < 107.994722631 and attr store1 > 107.194722631 ) or bondedto (attr store1 < 60.252 and attr store1 > 59.452 ) or bondedto (attr store1 < 12.5092773688 and attr store1 > 11.7092773688 ))) 6 0.1 0.1 peak 2107 volume 35.53407 ppm1 4.104 ppm2 8.097 ! ############### C13_CNnoesy_manual.2108 folded + assi (attr store1 < 7.027 and attr store1 > 6.927 ) ((attr store1 < 4.133 and attr store1 > 4.073 ) and (bondedto (attr store1 < 107.966722631 and attr store1 > 107.166722631 ) or bondedto (attr store1 < 60.224 and attr store1 > 59.424 ) or bondedto (attr store1 < 12.4812773688 and attr store1 > 11.6812773688 ))) 6 0.1 0.1 peak 2108 volume 16.90356 ppm1 4.103 ppm2 6.977 ! ############### C13_CNnoesy_manual.2109 folded + assi (attr store1 < 4.402 and attr store1 > 4.302 ) ((attr store1 < 4.137 and attr store1 > 4.077 ) and (bondedto (attr store1 < 108.013722631 and attr store1 > 107.213722631 ) or bondedto (attr store1 < 60.271 and attr store1 > 59.471 ) or bondedto (attr store1 < 12.5282773688 and attr store1 > 11.7282773688 ))) 6 0.1 0.1 peak 2109 volume 94.59425 ppm1 4.107 ppm2 4.352 ! ############### C13_CNnoesy_manual.2110 folded + assi (attr store1 < 3.857 and attr store1 > 3.757 ) ((attr store1 < 4.137 and attr store1 > 4.077 ) and (bondedto (attr store1 < 108.017722631 and attr store1 > 107.217722631 ) or bondedto (attr store1 < 60.275 and attr store1 > 59.475 ) or bondedto (attr store1 < 12.5322773688 and attr store1 > 11.7322773688 ))) 6 0.1 0.1 peak 2110 volume 64.39478 ppm1 4.107 ppm2 3.807 ! ############### C13_CNnoesy_manual.2111 folded + assi (attr store1 < 2.261 and attr store1 > 2.161 ) ((attr store1 < 4.133 and attr store1 > 4.073 ) and (bondedto (attr store1 < 107.975722631 and attr store1 > 107.175722631 ) or bondedto (attr store1 < 60.233 and attr store1 > 59.433 ) or bondedto (attr store1 < 12.4902773688 and attr store1 > 11.6902773688 ))) 6 0.1 0.1 peak 2111 volume 92.59433 ppm1 4.103 ppm2 2.211 ! ############### C13_CNnoesy_manual.2112 folded + assi (attr store1 < 1.773 and attr store1 > 1.673 ) ((attr store1 < 4.136 and attr store1 > 4.076 ) and (bondedto (attr store1 < 107.980722631 and attr store1 > 107.180722631 ) or bondedto (attr store1 < 60.238 and attr store1 > 59.438 ) or bondedto (attr store1 < 12.4952773688 and attr store1 > 11.6952773688 ))) 6 0.1 0.1 peak 2112 volume 18.63063 ppm1 4.106 ppm2 1.723 ! ############### C13_CNnoesy_manual.2113 folded + assi (attr store1 < 1.158 and attr store1 > 1.058 ) ((attr store1 < 4.133 and attr store1 > 4.073 ) and (bondedto (attr store1 < 107.975722631 and attr store1 > 107.175722631 ) or bondedto (attr store1 < 60.233 and attr store1 > 59.433 ) or bondedto (attr store1 < 12.4902773688 and attr store1 > 11.6902773688 ))) 6 0.1 0.1 peak 2113 volume 16.81121 ppm1 4.103 ppm2 1.108 ! ############### C13_CNnoesy_manual.2114 folded + assi (attr store1 < 0.798 and attr store1 > 0.698 ) ((attr store1 < 4.137 and attr store1 > 4.077 ) and (bondedto (attr store1 < 108.023722631 and attr store1 > 107.223722631 ) or bondedto (attr store1 < 60.281 and attr store1 > 59.481 ) or bondedto (attr store1 < 12.5382773688 and attr store1 > 11.7382773688 ))) 6 0.1 0.1 peak 2114 volume 64.19754 ppm1 4.107 ppm2 0.748 ! ############### C13_CNnoesy_manual.2115 folded + assi (attr store1 < 7.742 and attr store1 > 7.642 ) ((attr store1 < 4.128 and attr store1 > 4.068 ) and (bondedto (attr store1 < 107.987722631 and attr store1 > 107.187722631 ) or bondedto (attr store1 < 60.245 and attr store1 > 59.445 ) or bondedto (attr store1 < 12.5022773688 and attr store1 > 11.7022773688 ))) 6 0.1 0.1 peak 2115 volume 11.91521 ppm1 4.098 ppm2 7.692 ! ############### C13_CNnoesy_manual.2116 folded + assi (attr store1 < 6.904 and attr store1 > 6.804 ) ((attr store1 < 4.132 and attr store1 > 4.072 ) and (bondedto (attr store1 < 108.016722631 and attr store1 > 107.216722631 ) or bondedto (attr store1 < 60.274 and attr store1 > 59.474 ) or bondedto (attr store1 < 12.5312773688 and attr store1 > 11.7312773688 ))) 6 0.1 0.1 peak 2116 volume 14.86197 ppm1 4.102 ppm2 6.854 ! ############### C13_CNnoesy_manual.2117 folded + assi (attr store1 < 4.154 and attr store1 > 4.054 ) ((attr store1 < 4.125 and attr store1 > 4.065 ) and (bondedto (attr store1 < 108.000722631 and attr store1 > 107.200722631 ) or bondedto (attr store1 < 60.258 and attr store1 > 59.458 ) or bondedto (attr store1 < 12.5152773688 and attr store1 > 11.7152773688 ))) 6 0.1 0.1 peak 2117 volume 982.45160 ppm1 4.095 ppm2 4.104 ! ############### C13_CNnoesy_manual.2118 folded + assi (attr store1 < 2.832 and attr store1 > 2.732 ) ((attr store1 < 4.131 and attr store1 > 4.071 ) and (bondedto (attr store1 < 107.984722631 and attr store1 > 107.184722631 ) or bondedto (attr store1 < 60.242 and attr store1 > 59.442 ) or bondedto (attr store1 < 12.4992773688 and attr store1 > 11.6992773688 ))) 6 0.1 0.1 peak 2118 volume 19.86178 ppm1 4.101 ppm2 2.782 ! ############### C13_CNnoesy_manual.2119 folded + assi (attr store1 < 2.495 and attr store1 > 2.395 ) ((attr store1 < 4.131 and attr store1 > 4.071 ) and (bondedto (attr store1 < 107.991722631 and attr store1 > 107.191722631 ) or bondedto (attr store1 < 60.249 and attr store1 > 59.449 ) or bondedto (attr store1 < 12.5062773688 and attr store1 > 11.7062773688 ))) 6 0.1 0.1 peak 2119 volume 46.84261 ppm1 4.101 ppm2 2.445 ! ############### C13_CNnoesy_manual.2120 folded + assi (attr store1 < 1.632 and attr store1 > 1.532 ) ((attr store1 < 4.127 and attr store1 > 4.067 ) and (bondedto (attr store1 < 108.002722631 and attr store1 > 107.202722631 ) or bondedto (attr store1 < 60.26 and attr store1 > 59.46 ) or bondedto (attr store1 < 12.5172773688 and attr store1 > 11.7172773688 ))) 6 0.1 0.1 peak 2120 volume 27.21894 ppm1 4.097 ppm2 1.582 ! ############### C13_CNnoesy_manual.2121 folded + assi (attr store1 < 1.418 and attr store1 > 1.318 ) ((attr store1 < 4.13 and attr store1 > 4.07 ) and (bondedto (attr store1 < 108.025722631 and attr store1 > 107.225722631 ) or bondedto (attr store1 < 60.283 and attr store1 > 59.483 ) or bondedto (attr store1 < 12.5402773688 and attr store1 > 11.7402773688 ))) 6 0.1 0.1 peak 2121 volume 14.08208 ppm1 4.100 ppm2 1.368 ! ############### C13_CNnoesy_manual.2122 folded + assi (attr store1 < 8.061 and attr store1 > 7.961 ) ((attr store1 < 0.772 and attr store1 > 0.712 ) and (bondedto (attr store1 < 108.011722631 and attr store1 > 107.211722631 ) or bondedto (attr store1 < 60.269 and attr store1 > 59.469 ) or bondedto (attr store1 < 12.5262773688 and attr store1 > 11.7262773688 ))) 6 0.1 0.1 peak 2122 volume 12.38408 ppm1 0.742 ppm2 8.011 ! ############### C13_CNnoesy_manual.2123 folded + assi (attr store1 < 2.642 and attr store1 > 2.542 ) ((attr store1 < 0.774 and attr store1 > 0.714 ) and (bondedto (attr store1 < 108.022722631 and attr store1 > 107.222722631 ) or bondedto (attr store1 < 60.28 and attr store1 > 59.48 ) or bondedto (attr store1 < 12.5372773688 and attr store1 > 11.7372773688 ))) 6 0.1 0.1 peak 2123 volume 11.36157 ppm1 0.744 ppm2 2.592 ! ############### C13_CNnoesy_manual.2124 folded + assi (attr store1 < 0.793 and attr store1 > 0.693 ) ((attr store1 < 0.771 and attr store1 > 0.711 ) and (bondedto (attr store1 < 108.015722631 and attr store1 > 107.215722631 ) or bondedto (attr store1 < 60.273 and attr store1 > 59.473 ) or bondedto (attr store1 < 12.5302773688 and attr store1 > 11.7302773688 ))) 6 0.1 0.1 peak 2124 volume 3191.13745 ppm1 0.741 ppm2 0.743 ! ############### C13_CNnoesy_manual.2125 folded + assi (attr store1 < 8.714 and attr store1 > 8.614 ) ((attr store1 < 0.767 and attr store1 > 0.707 ) and (bondedto (attr store1 < 108.009722631 and attr store1 > 107.209722631 ) or bondedto (attr store1 < 60.267 and attr store1 > 59.467 ) or bondedto (attr store1 < 12.5242773688 and attr store1 > 11.7242773688 ))) 6 0.1 0.1 peak 2125 volume 9.24141 ppm1 0.737 ppm2 8.664 ! ############### C13_CNnoesy_manual.2126 folded + assi (attr store1 < 8.464 and attr store1 > 8.364 ) ((attr store1 < 0.771 and attr store1 > 0.711 ) and (bondedto (attr store1 < 107.992722631 and attr store1 > 107.192722631 ) or bondedto (attr store1 < 60.25 and attr store1 > 59.45 ) or bondedto (attr store1 < 12.5072773688 and attr store1 > 11.7072773688 ))) 6 0.1 0.1 peak 2126 volume 10.43941 ppm1 0.741 ppm2 8.414 ! ############### C13_CNnoesy_manual.2127 folded + assi (attr store1 < 7.758 and attr store1 > 7.658 ) ((attr store1 < 0.769 and attr store1 > 0.709 ) and (bondedto (attr store1 < 108.018722631 and attr store1 > 107.218722631 ) or bondedto (attr store1 < 60.276 and attr store1 > 59.476 ) or bondedto (attr store1 < 12.5332773688 and attr store1 > 11.7332773688 ))) 6 0.1 0.1 peak 2127 volume 17.92048 ppm1 0.739 ppm2 7.708 ! ############### C13_CNnoesy_manual.2128 folded + assi (attr store1 < 7.278 and attr store1 > 7.178 ) ((attr store1 < 0.77 and attr store1 > 0.71 ) and (bondedto (attr store1 < 108.032722631 and attr store1 > 107.232722631 ) or bondedto (attr store1 < 60.29 and attr store1 > 59.49 ) or bondedto (attr store1 < 12.5472773688 and attr store1 > 11.7472773688 ))) 6 0.1 0.1 peak 2128 volume 7.74475 ppm1 0.740 ppm2 7.228 ! ############### C13_CNnoesy_manual.2129 folded + assi (attr store1 < 4.883 and attr store1 > 4.783 ) ((attr store1 < 0.763 and attr store1 > 0.703 ) and (bondedto (attr store1 < 108.013722631 and attr store1 > 107.213722631 ) or bondedto (attr store1 < 60.271 and attr store1 > 59.471 ) or bondedto (attr store1 < 12.5282773688 and attr store1 > 11.7282773688 ))) 6 0.1 0.1 peak 2129 volume 6.56842 ppm1 0.733 ppm2 4.833 ! ############### C13_CNnoesy_manual.2130 folded + assi (attr store1 < 4.314 and attr store1 > 4.214 ) ((attr store1 < 0.77 and attr store1 > 0.71 ) and (bondedto (attr store1 < 108.026722631 and attr store1 > 107.226722631 ) or bondedto (attr store1 < 60.284 and attr store1 > 59.484 ) or bondedto (attr store1 < 12.5412773688 and attr store1 > 11.7412773688 ))) 6 0.1 0.1 peak 2130 volume 10.93526 ppm1 0.740 ppm2 4.264 ! ############### C13_CNnoesy_manual.2131 folded + assi (attr store1 < 4.136 and attr store1 > 4.036 ) ((attr store1 < 0.771 and attr store1 > 0.711 ) and (bondedto (attr store1 < 108.012722631 and attr store1 > 107.212722631 ) or bondedto (attr store1 < 60.27 and attr store1 > 59.47 ) or bondedto (attr store1 < 12.5272773688 and attr store1 > 11.7272773688 ))) 6 0.1 0.1 peak 2131 volume 76.07845 ppm1 0.741 ppm2 4.086 ! ############### C13_CNnoesy_manual.2132 folded + assi (attr store1 < 2.35 and attr store1 > 2.25 ) ((attr store1 < 0.768 and attr store1 > 0.708 ) and (bondedto (attr store1 < 108.032722631 and attr store1 > 107.232722631 ) or bondedto (attr store1 < 60.29 and attr store1 > 59.49 ) or bondedto (attr store1 < 12.5472773688 and attr store1 > 11.7472773688 ))) 6 0.1 0.1 peak 2132 volume 43.47601 ppm1 0.738 ppm2 2.300 ! ############### C13_CNnoesy_manual.2133 folded + assi (attr store1 < 1.788 and attr store1 > 1.688 ) ((attr store1 < 0.77 and attr store1 > 0.71 ) and (bondedto (attr store1 < 108.008722631 and attr store1 > 107.208722631 ) or bondedto (attr store1 < 60.266 and attr store1 > 59.466 ) or bondedto (attr store1 < 12.5232773688 and attr store1 > 11.7232773688 ))) 6 0.1 0.1 peak 2133 volume 60.80946 ppm1 0.740 ppm2 1.738 ! ############### C13_CNnoesy_manual.2134 folded + assi (attr store1 < 1.6 and attr store1 > 1.5 ) ((attr store1 < 0.771 and attr store1 > 0.711 ) and (bondedto (attr store1 < 108.013722631 and attr store1 > 107.213722631 ) or bondedto (attr store1 < 60.271 and attr store1 > 59.471 ) or bondedto (attr store1 < 12.5282773688 and attr store1 > 11.7282773688 ))) 6 0.1 0.1 peak 2134 volume 114.38508 ppm1 0.741 ppm2 1.550 ! ############### C13_CNnoesy_manual.2135 folded + assi (attr store1 < 1.403 and attr store1 > 1.303 ) ((attr store1 < 0.77 and attr store1 > 0.71 ) and (bondedto (attr store1 < 108.018722631 and attr store1 > 107.218722631 ) or bondedto (attr store1 < 60.276 and attr store1 > 59.476 ) or bondedto (attr store1 < 12.5332773688 and attr store1 > 11.7332773688 ))) 6 0.1 0.1 peak 2135 volume 114.26308 ppm1 0.740 ppm2 1.353 ! ############### C13_CNnoesy_manual.2136 folded + assi (attr store1 < 0.954 and attr store1 > 0.854 ) ((attr store1 < 0.77 and attr store1 > 0.71 ) and (bondedto (attr store1 < 108.021722631 and attr store1 > 107.221722631 ) or bondedto (attr store1 < 60.279 and attr store1 > 59.479 ) or bondedto (attr store1 < 12.5362773688 and attr store1 > 11.7362773688 ))) 6 0.1 0.1 peak 2136 volume 230.34329 ppm1 0.740 ppm2 0.904 ! ############### C13_CNnoesy_manual.2137 folded + assi (attr store1 < 0.622 and attr store1 > 0.522 ) ((attr store1 < 0.769 and attr store1 > 0.709 ) and (bondedto (attr store1 < 108.013722631 and attr store1 > 107.213722631 ) or bondedto (attr store1 < 60.271 and attr store1 > 59.471 ) or bondedto (attr store1 < 12.5282773688 and attr store1 > 11.7282773688 ))) 6 0.1 0.1 peak 2137 volume 49.30967 ppm1 0.739 ppm2 0.572 ! ############### C13_CNnoesy_manual.2138 folded + assi (attr store1 < 0.518 and attr store1 > 0.418 ) ((attr store1 < 0.766 and attr store1 > 0.706 ) and (bondedto (attr store1 < 108.015722631 and attr store1 > 107.215722631 ) or bondedto (attr store1 < 60.273 and attr store1 > 59.473 ) or bondedto (attr store1 < 12.5302773688 and attr store1 > 11.7302773688 ))) 6 0.1 0.1 peak 2138 volume 17.51629 ppm1 0.736 ppm2 0.468 ! ############### C13_CNnoesy_manual.2139 folded + assi (attr store1 < 0.418 and attr store1 > 0.318 ) ((attr store1 < 0.764 and attr store1 > 0.704 ) and (bondedto (attr store1 < 108.028722631 and attr store1 > 107.228722631 ) or bondedto (attr store1 < 60.286 and attr store1 > 59.486 ) or bondedto (attr store1 < 12.5432773688 and attr store1 > 11.7432773688 ))) 6 0.1 0.1 peak 2139 volume 9.77198 ppm1 0.734 ppm2 0.368 ! ############### C13_CNnoesy_manual.2140 folded + assi (attr store1 < 0.315 and attr store1 > 0.215 ) ((attr store1 < 0.765 and attr store1 > 0.705 ) and (bondedto (attr store1 < 107.996722631 and attr store1 > 107.196722631 ) or bondedto (attr store1 < 60.254 and attr store1 > 59.454 ) or bondedto (attr store1 < 12.5112773688 and attr store1 > 11.7112773688 ))) 6 0.1 0.1 peak 2140 volume 7.72279 ppm1 0.735 ppm2 0.265 ! ############### C13_CNnoesy_manual.2141 folded + assi (attr store1 < 0.135 and attr store1 > 0.035 ) ((attr store1 < 0.77 and attr store1 > 0.71 ) and (bondedto (attr store1 < 108.006722631 and attr store1 > 107.206722631 ) or bondedto (attr store1 < 60.264 and attr store1 > 59.464 ) or bondedto (attr store1 < 12.5212773688 and attr store1 > 11.7212773688 ))) 6 0.1 0.1 peak 2141 volume 57.92533 ppm1 0.740 ppm2 0.085 ! ############### C13_CNnoesy_manual.2142 folded - assi (attr store1 < 8.055 and attr store1 > 7.955 ) ((attr store1 < 2.264 and attr store1 > 2.204 ) and (bondedto (attr store1 < 131.857083947 and attr store1 > 131.057083947 ) or bondedto (attr store1 < 36.3716386844 and attr store1 > 35.5716386844 ))) 6 0.1 0.1 peak 2142 volume 56.12529 ppm1 2.234 ppm2 8.005 ! ############### C13_CNnoesy_manual.2143 folded - assi (attr store1 < 4.11 and attr store1 > 4.01 ) ((attr store1 < 2.262 and attr store1 > 2.202 ) and (bondedto (attr store1 < 131.887083947 and attr store1 > 131.087083947 ) or bondedto (attr store1 < 36.4016386844 and attr store1 > 35.6016386844 ))) 6 0.1 0.1 peak 2143 volume 40.28271 ppm1 2.232 ppm2 4.060 ! ############### C13_CNnoesy_manual.2144 folded - assi (attr store1 < 2.012 and attr store1 > 1.912 ) ((attr store1 < 2.263 and attr store1 > 2.203 ) and (bondedto (attr store1 < 131.851083947 and attr store1 > 131.051083947 ) or bondedto (attr store1 < 36.3656386844 and attr store1 > 35.5656386844 ))) 6 0.1 0.1 peak 2144 volume 47.10661 ppm1 2.233 ppm2 1.962 ! ############### C13_CNnoesy_manual.2145 folded - assi (attr store1 < 1.532 and attr store1 > 1.432 ) ((attr store1 < 2.263 and attr store1 > 2.203 ) and (bondedto (attr store1 < 131.844083947 and attr store1 > 131.044083947 ) or bondedto (attr store1 < 36.3586386844 and attr store1 > 35.5586386844 ))) 6 0.1 0.1 peak 2145 volume 35.37198 ppm1 2.233 ppm2 1.482 ! ############### C13_CNnoesy_manual.2146 folded - assi (attr store1 < 1.16 and attr store1 > 1.06 ) ((attr store1 < 2.264 and attr store1 > 2.204 ) and (bondedto (attr store1 < 131.840083947 and attr store1 > 131.040083947 ) or bondedto (attr store1 < 36.3546386844 and attr store1 > 35.5546386844 ))) 6 0.1 0.1 peak 2146 volume 54.64865 ppm1 2.234 ppm2 1.110 ! ############### C13_CNnoesy_manual.2147 folded + assi (attr store1 < 7.062 and attr store1 > 6.962 ) ((attr store1 < 4.302 and attr store1 > 4.242 ) and (bondedto (attr store1 < 107.926722631 and attr store1 > 107.126722631 ) or bondedto (attr store1 < 60.184 and attr store1 > 59.384 ) or bondedto (attr store1 < 12.4412773688 and attr store1 > 11.6412773688 ))) 6 0.1 0.1 peak 2147 volume 14.68165 ppm1 4.272 ppm2 7.012 ! ############### C13_CNnoesy_manual.2148 folded + assi (attr store1 < 2.507 and attr store1 > 2.407 ) ((attr store1 < 4.302 and attr store1 > 4.242 ) and (bondedto (attr store1 < 107.935722631 and attr store1 > 107.135722631 ) or bondedto (attr store1 < 60.193 and attr store1 > 59.393 ) or bondedto (attr store1 < 12.4502773688 and attr store1 > 11.6502773688 ))) 6 0.1 0.1 peak 2148 volume 49.77841 ppm1 4.272 ppm2 2.457 ! ############### C13_CNnoesy_manual.2149 folded + assi (attr store1 < 2.172 and attr store1 > 2.072 ) ((attr store1 < 4.303 and attr store1 > 4.243 ) and (bondedto (attr store1 < 107.946722631 and attr store1 > 107.146722631 ) or bondedto (attr store1 < 60.204 and attr store1 > 59.404 ) or bondedto (attr store1 < 12.4612773688 and attr store1 > 11.6612773688 ))) 6 0.1 0.1 peak 2149 volume 81.37357 ppm1 4.273 ppm2 2.122 ! ############### C13_CNnoesy_manual.2150 folded + assi (attr store1 < 4.316 and attr store1 > 4.216 ) ((attr store1 < 4.298 and attr store1 > 4.238 ) and (bondedto (attr store1 < 107.937722631 and attr store1 > 107.137722631 ) or bondedto (attr store1 < 60.195 and attr store1 > 59.395 ) or bondedto (attr store1 < 12.4522773688 and attr store1 > 11.6522773688 ))) 6 0.1 0.1 peak 2150 volume 953.23828 ppm1 4.268 ppm2 4.266 ! ############### C13_CNnoesy_manual.2151 folded + assi (attr store1 < 3.858 and attr store1 > 3.758 ) ((attr store1 < 4.301 and attr store1 > 4.241 ) and (bondedto (attr store1 < 107.906722631 and attr store1 > 107.106722631 ) or bondedto (attr store1 < 60.164 and attr store1 > 59.364 ) or bondedto (attr store1 < 12.4212773688 and attr store1 > 11.6212773688 ))) 6 0.1 0.1 peak 2151 volume 5.74164 ppm1 4.271 ppm2 3.808 ! ############### C13_CNnoesy_manual.2152 folded + assi (attr store1 < 8.211 and attr store1 > 8.111 ) ((attr store1 < 4.213 and attr store1 > 4.153 ) and (bondedto (attr store1 < 107.927722631 and attr store1 > 107.127722631 ) or bondedto (attr store1 < 60.185 and attr store1 > 59.385 ) or bondedto (attr store1 < 12.4422773688 and attr store1 > 11.6422773688 ))) 6 0.1 0.1 peak 2152 volume 15.10662 ppm1 4.183 ppm2 8.161 ! ############### C13_CNnoesy_manual.2153 folded + assi (attr store1 < 8.084 and attr store1 > 7.984 ) ((attr store1 < 4.208 and attr store1 > 4.148 ) and (bondedto (attr store1 < 107.940722631 and attr store1 > 107.140722631 ) or bondedto (attr store1 < 60.198 and attr store1 > 59.398 ) or bondedto (attr store1 < 12.4552773688 and attr store1 > 11.6552773688 ))) 6 0.1 0.1 peak 2153 volume 52.50166 ppm1 4.178 ppm2 8.034 ! ############### C13_CNnoesy_manual.2154 folded + assi (attr store1 < 4.208 and attr store1 > 4.108 ) ((attr store1 < 4.198 and attr store1 > 4.138 ) and (bondedto (attr store1 < 107.904722631 and attr store1 > 107.104722631 ) or bondedto (attr store1 < 60.162 and attr store1 > 59.362 ) or bondedto (attr store1 < 12.4192773688 and attr store1 > 11.6192773688 ))) 6 0.1 0.1 peak 2154 volume 1183.72559 ppm1 4.168 ppm2 4.158 ! ############### C13_CNnoesy_manual.2155 folded + assi (attr store1 < 8.464 and attr store1 > 8.364 ) ((attr store1 < 4.189 and attr store1 > 4.129 ) and (bondedto (attr store1 < 107.820722631 and attr store1 > 107.020722631 ) or bondedto (attr store1 < 60.078 and attr store1 > 59.278 ) or bondedto (attr store1 < 12.3352773688 and attr store1 > 11.5352773688 ))) 6 0.1 0.1 peak 2155 volume 35.40654 ppm1 4.159 ppm2 8.414 ! ############### C13_CNnoesy_manual.2156 folded + assi (attr store1 < 7.787 and attr store1 > 7.687 ) ((attr store1 < 4.187 and attr store1 > 4.127 ) and (bondedto (attr store1 < 107.813722631 and attr store1 > 107.013722631 ) or bondedto (attr store1 < 60.071 and attr store1 > 59.271 ) or bondedto (attr store1 < 12.3282773688 and attr store1 > 11.5282773688 ))) 6 0.1 0.1 peak 2156 volume 15.49785 ppm1 4.157 ppm2 7.737 ! ############### C13_CNnoesy_manual.2157 folded + assi (attr store1 < 2.98 and attr store1 > 2.88 ) ((attr store1 < 4.189 and attr store1 > 4.129 ) and (bondedto (attr store1 < 107.799722631 and attr store1 > 106.999722631 ) or bondedto (attr store1 < 60.057 and attr store1 > 59.257 ) or bondedto (attr store1 < 12.3142773688 and attr store1 > 11.5142773688 ))) 6 0.1 0.1 peak 2157 volume 50.46672 ppm1 4.159 ppm2 2.930 ! ############### C13_CNnoesy_manual.2158 folded + assi (attr store1 < 2.075 and attr store1 > 1.975 ) ((attr store1 < 4.189 and attr store1 > 4.129 ) and (bondedto (attr store1 < 107.806722631 and attr store1 > 107.006722631 ) or bondedto (attr store1 < 60.064 and attr store1 > 59.264 ) or bondedto (attr store1 < 12.3212773688 and attr store1 > 11.5212773688 ))) 6 0.1 0.1 peak 2158 volume 114.93353 ppm1 4.159 ppm2 2.025 ! ############### C13_CNnoesy_manual.2159 folded + assi (attr store1 < 1.835 and attr store1 > 1.735 ) ((attr store1 < 4.19 and attr store1 > 4.13 ) and (bondedto (attr store1 < 107.825722631 and attr store1 > 107.025722631 ) or bondedto (attr store1 < 60.083 and attr store1 > 59.283 ) or bondedto (attr store1 < 12.3402773688 and attr store1 > 11.5402773688 ))) 6 0.1 0.1 peak 2159 volume 45.82878 ppm1 4.160 ppm2 1.785 ! ############### C13_CNnoesy_manual.2160 folded + assi (attr store1 < 1.651 and attr store1 > 1.551 ) ((attr store1 < 4.188 and attr store1 > 4.128 ) and (bondedto (attr store1 < 107.817722631 and attr store1 > 107.017722631 ) or bondedto (attr store1 < 60.075 and attr store1 > 59.275 ) or bondedto (attr store1 < 12.3322773688 and attr store1 > 11.5322773688 ))) 6 0.1 0.1 peak 2160 volume 48.59085 ppm1 4.158 ppm2 1.601 ! ############### C13_CNnoesy_manual.2161 folded + assi (attr store1 < 9.052 and attr store1 > 8.952 ) ((attr store1 < 3.886 and attr store1 > 3.826 ) and (bondedto (attr store1 < 107.679722631 and attr store1 > 106.879722631 ) or bondedto (attr store1 < 59.937 and attr store1 > 59.137 ) or bondedto (attr store1 < 12.1942773688 and attr store1 > 11.3942773688 ))) 6 0.1 0.1 peak 2161 volume 18.57670 ppm1 3.856 ppm2 9.002 ! ############### C13_CNnoesy_manual.2162 folded + assi (attr store1 < 7.035 and attr store1 > 6.935 ) ((attr store1 < 3.885 and attr store1 > 3.825 ) and (bondedto (attr store1 < 107.719722631 and attr store1 > 106.919722631 ) or bondedto (attr store1 < 59.977 and attr store1 > 59.177 ) or bondedto (attr store1 < 12.2342773688 and attr store1 > 11.4342773688 ))) 6 0.1 0.1 peak 2162 volume 13.73436 ppm1 3.855 ppm2 6.985 ! ############### C13_CNnoesy_manual.2163 folded + assi (attr store1 < 4.892 and attr store1 > 4.792 ) ((attr store1 < 3.887 and attr store1 > 3.827 ) and (bondedto (attr store1 < 107.669722631 and attr store1 > 106.869722631 ) or bondedto (attr store1 < 59.927 and attr store1 > 59.127 ) or bondedto (attr store1 < 12.1842773688 and attr store1 > 11.3842773688 ))) 6 0.1 0.1 peak 2163 volume 20.94752 ppm1 3.857 ppm2 4.842 ! ############### C13_CNnoesy_manual.2164 folded + assi (attr store1 < 3.906 and attr store1 > 3.806 ) ((attr store1 < 3.886 and attr store1 > 3.826 ) and (bondedto (attr store1 < 107.694722631 and attr store1 > 106.894722631 ) or bondedto (attr store1 < 59.952 and attr store1 > 59.152 ) or bondedto (attr store1 < 12.2092773688 and attr store1 > 11.4092773688 ))) 6 0.1 0.1 peak 2164 volume 664.69885 ppm1 3.856 ppm2 3.856 ! ############### C13_CNnoesy_manual.2165 folded + assi (attr store1 < 2.622 and attr store1 > 2.522 ) ((attr store1 < 3.886 and attr store1 > 3.826 ) and (bondedto (attr store1 < 107.695722631 and attr store1 > 106.895722631 ) or bondedto (attr store1 < 59.953 and attr store1 > 59.153 ) or bondedto (attr store1 < 12.2102773688 and attr store1 > 11.4102773688 ))) 6 0.1 0.1 peak 2165 volume 44.89334 ppm1 3.856 ppm2 2.572 ! ############### C13_CNnoesy_manual.2166 folded + assi (attr store1 < 2.267 and attr store1 > 2.167 ) ((attr store1 < 3.886 and attr store1 > 3.826 ) and (bondedto (attr store1 < 107.697722631 and attr store1 > 106.897722631 ) or bondedto (attr store1 < 59.955 and attr store1 > 59.155 ) or bondedto (attr store1 < 12.2122773688 and attr store1 > 11.4122773688 ))) 6 0.1 0.1 peak 2166 volume 52.23713 ppm1 3.856 ppm2 2.217 ! ############### C13_CNnoesy_manual.2167 folded + assi (attr store1 < 2.151 and attr store1 > 2.051 ) ((attr store1 < 3.886 and attr store1 > 3.826 ) and (bondedto (attr store1 < 107.698722631 and attr store1 > 106.898722631 ) or bondedto (attr store1 < 59.956 and attr store1 > 59.156 ) or bondedto (attr store1 < 12.2132773688 and attr store1 > 11.4132773688 ))) 6 0.1 0.1 peak 2167 volume 52.33037 ppm1 3.856 ppm2 2.101 ! ############### C13_CNnoesy_manual.2168 folded + assi (attr store1 < 7.875 and attr store1 > 7.775 ) ((attr store1 < 3.885 and attr store1 > 3.825 ) and (bondedto (attr store1 < 107.666722631 and attr store1 > 106.866722631 ) or bondedto (attr store1 < 59.924 and attr store1 > 59.124 ) or bondedto (attr store1 < 12.1812773688 and attr store1 > 11.3812773688 ))) 6 0.1 0.1 peak 2168 volume 15.60659 ppm1 3.855 ppm2 7.825 ! ############### C13_CNnoesy_manual.2169 folded + assi (attr store1 < 4.061 and attr store1 > 3.961 ) ((attr store1 < 3.888 and attr store1 > 3.828 ) and (bondedto (attr store1 < 107.553722631 and attr store1 > 106.753722631 ) or bondedto (attr store1 < 59.811 and attr store1 > 59.011 ) or bondedto (attr store1 < 12.0682773688 and attr store1 > 11.2682773688 ))) 6 0.1 0.1 peak 2169 volume 23.99312 ppm1 3.858 ppm2 4.011 ! ############### C13_CNnoesy_manual.2170 folded + assi (attr store1 < 8.038 and attr store1 > 7.938 ) ((attr store1 < 4.045 and attr store1 > 3.985 ) and (bondedto (attr store1 < 107.414722631 and attr store1 > 106.614722631 ) or bondedto (attr store1 < 59.672 and attr store1 > 58.872 ) or bondedto (attr store1 < 11.9292773688 and attr store1 > 11.1292773688 ))) 6 0.1 0.1 peak 2170 volume 33.95718 ppm1 4.015 ppm2 7.988 ! ############### C13_CNnoesy_manual.2171 folded + assi (attr store1 < 3.498 and attr store1 > 3.398 ) ((attr store1 < 4.045 and attr store1 > 3.985 ) and (bondedto (attr store1 < 107.407722631 and attr store1 > 106.607722631 ) or bondedto (attr store1 < 59.665 and attr store1 > 58.865 ) or bondedto (attr store1 < 11.9222773688 and attr store1 > 11.1222773688 ))) 6 0.1 0.1 peak 2171 volume 7.98349 ppm1 4.015 ppm2 3.448 ! ############### C13_CNnoesy_manual.2172 folded + assi (attr store1 < 2.847 and attr store1 > 2.747 ) ((attr store1 < 4.048 and attr store1 > 3.988 ) and (bondedto (attr store1 < 107.430722631 and attr store1 > 106.630722631 ) or bondedto (attr store1 < 59.688 and attr store1 > 58.888 ) or bondedto (attr store1 < 11.9452773688 and attr store1 > 11.1452773688 ))) 6 0.1 0.1 peak 2172 volume 14.07678 ppm1 4.018 ppm2 2.797 ! ############### C13_CNnoesy_manual.2173 folded + assi (attr store1 < 1.448 and attr store1 > 1.348 ) ((attr store1 < 4.045 and attr store1 > 3.985 ) and (bondedto (attr store1 < 107.435722631 and attr store1 > 106.635722631 ) or bondedto (attr store1 < 59.693 and attr store1 > 58.893 ) or bondedto (attr store1 < 11.9502773688 and attr store1 > 11.1502773688 ))) 6 0.1 0.1 peak 2173 volume 37.80266 ppm1 4.015 ppm2 1.398 ! ############### C13_CNnoesy_manual.2174 folded + assi (attr store1 < 1.216 and attr store1 > 1.116 ) ((attr store1 < 4.043 and attr store1 > 3.983 ) and (bondedto (attr store1 < 107.451722631 and attr store1 > 106.651722631 ) or bondedto (attr store1 < 59.709 and attr store1 > 58.909 ) or bondedto (attr store1 < 11.9662773688 and attr store1 > 11.1662773688 ))) 6 0.1 0.1 peak 2174 volume 65.33422 ppm1 4.013 ppm2 1.166 ! ############### C13_CNnoesy_manual.2175 folded + assi (attr store1 < 8.243 and attr store1 > 8.143 ) ((attr store1 < 4.046 and attr store1 > 3.986 ) and (bondedto (attr store1 < 107.349722631 and attr store1 > 106.549722631 ) or bondedto (attr store1 < 59.607 and attr store1 > 58.807 ) or bondedto (attr store1 < 11.8642773688 and attr store1 > 11.0642773688 ))) 6 0.1 0.1 peak 2175 volume 26.04961 ppm1 4.016 ppm2 8.193 ! ############### C13_CNnoesy_manual.2176 folded + assi (attr store1 < 4.891 and attr store1 > 4.791 ) ((attr store1 < 4.049 and attr store1 > 3.989 ) and (bondedto (attr store1 < 107.344722631 and attr store1 > 106.544722631 ) or bondedto (attr store1 < 59.602 and attr store1 > 58.802 ) or bondedto (attr store1 < 11.8592773688 and attr store1 > 11.0592773688 ))) 6 0.1 0.1 peak 2176 volume 33.26425 ppm1 4.019 ppm2 4.841 ! ############### C13_CNnoesy_manual.2177 folded + assi (attr store1 < 4.064 and attr store1 > 3.964 ) ((attr store1 < 4.048 and attr store1 > 3.988 ) and (bondedto (attr store1 < 107.353722631 and attr store1 > 106.553722631 ) or bondedto (attr store1 < 59.611 and attr store1 > 58.811 ) or bondedto (attr store1 < 11.8682773688 and attr store1 > 11.0682773688 ))) 6 0.1 0.1 peak 2177 volume 1308.10132 ppm1 4.018 ppm2 4.014 ! ############### C13_CNnoesy_manual.2178 folded + assi (attr store1 < 5.051 and attr store1 > 4.951 ) ((attr store1 < 4.052 and attr store1 > 3.992 ) and (bondedto (attr store1 < 107.280722631 and attr store1 > 106.480722631 ) or bondedto (attr store1 < 59.538 and attr store1 > 58.738 ) or bondedto (attr store1 < 11.7952773688 and attr store1 > 10.9952773688 ))) 6 0.1 0.1 peak 2178 volume 5.56161 ppm1 4.022 ppm2 5.001 ! ############### C13_CNnoesy_manual.2179 folded + assi (attr store1 < 1.835 and attr store1 > 1.735 ) ((attr store1 < 4.05 and attr store1 > 3.99 ) and (bondedto (attr store1 < 107.272722631 and attr store1 > 106.472722631 ) or bondedto (attr store1 < 59.53 and attr store1 > 58.73 ) or bondedto (attr store1 < 11.7872773688 and attr store1 > 10.9872773688 ))) 6 0.1 0.1 peak 2179 volume 78.62117 ppm1 4.020 ppm2 1.785 ! ############### C13_CNnoesy_manual.2180 folded + assi (attr store1 < 1.659 and attr store1 > 1.559 ) ((attr store1 < 4.049 and attr store1 > 3.989 ) and (bondedto (attr store1 < 107.293722631 and attr store1 > 106.493722631 ) or bondedto (attr store1 < 59.551 and attr store1 > 58.751 ) or bondedto (attr store1 < 11.8082773688 and attr store1 > 11.0082773688 ))) 6 0.1 0.1 peak 2180 volume 90.72739 ppm1 4.019 ppm2 1.609 ! ############### C13_CNnoesy_manual.2181 folded + assi (attr store1 < 1.109 and attr store1 > 1.009 ) ((attr store1 < 4.569 and attr store1 > 4.509 ) and (bondedto (attr store1 < 107.142722631 and attr store1 > 106.342722631 ) or bondedto (attr store1 < 59.4 and attr store1 > 58.6 ) or bondedto (attr store1 < 11.6572773688 and attr store1 > 10.8572773688 ))) 6 0.1 0.1 peak 2181 volume 14.94396 ppm1 4.539 ppm2 1.059 ! ############### C13_CNnoesy_manual.2182 folded + assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 4.338 and attr store1 > 4.278 ) and (bondedto (attr store1 < 107.117722631 and attr store1 > 106.317722631 ) or bondedto (attr store1 < 59.375 and attr store1 > 58.575 ) or bondedto (attr store1 < 11.6322773688 and attr store1 > 10.8322773688 ))) 6 0.1 0.1 peak 2182 volume 16.93906 ppm1 4.308 ppm2 4.840 ! ############### C13_CNnoesy_manual.2183 folded + assi (attr store1 < 7.847 and attr store1 > 7.747 ) ((attr store1 < 4.098 and attr store1 > 4.038 ) and (bondedto (attr store1 < 107.148722631 and attr store1 > 106.348722631 ) or bondedto (attr store1 < 59.406 and attr store1 > 58.606 ) or bondedto (attr store1 < 11.6632773688 and attr store1 > 10.8632773688 ))) 6 0.1 0.1 peak 2183 volume 31.25764 ppm1 4.068 ppm2 7.797 ! ############### C13_CNnoesy_manual.2184 folded + assi (attr store1 < 7.546 and attr store1 > 7.446 ) ((attr store1 < 4.099 and attr store1 > 4.039 ) and (bondedto (attr store1 < 107.137722631 and attr store1 > 106.337722631 ) or bondedto (attr store1 < 59.395 and attr store1 > 58.595 ) or bondedto (attr store1 < 11.6522773688 and attr store1 > 10.8522773688 ))) 6 0.1 0.1 peak 2184 volume 10.57514 ppm1 4.069 ppm2 7.496 ! ############### C13_CNnoesy_manual.2185 folded + assi (attr store1 < 4.115 and attr store1 > 4.015 ) ((attr store1 < 4.095 and attr store1 > 4.035 ) and (bondedto (attr store1 < 107.151722631 and attr store1 > 106.351722631 ) or bondedto (attr store1 < 59.409 and attr store1 > 58.609 ) or bondedto (attr store1 < 11.6662773688 and attr store1 > 10.8662773688 ))) 6 0.1 0.1 peak 2185 volume 652.70386 ppm1 4.065 ppm2 4.065 ! ############### C13_CNnoesy_manual.2186 folded + assi (attr store1 < 2.45 and attr store1 > 2.35 ) ((attr store1 < 4.098 and attr store1 > 4.038 ) and (bondedto (attr store1 < 107.139722631 and attr store1 > 106.339722631 ) or bondedto (attr store1 < 59.397 and attr store1 > 58.597 ) or bondedto (attr store1 < 11.6542773688 and attr store1 > 10.8542773688 ))) 6 0.1 0.1 peak 2186 volume 37.14205 ppm1 4.068 ppm2 2.400 ! ############### C13_CNnoesy_manual.2187 folded + assi (attr store1 < 2.298 and attr store1 > 2.198 ) ((attr store1 < 4.098 and attr store1 > 4.038 ) and (bondedto (attr store1 < 107.135722631 and attr store1 > 106.335722631 ) or bondedto (attr store1 < 59.393 and attr store1 > 58.593 ) or bondedto (attr store1 < 11.6502773688 and attr store1 > 10.8502773688 ))) 6 0.1 0.1 peak 2187 volume 78.05402 ppm1 4.068 ppm2 2.248 ! ############### C13_CNnoesy_manual.2188 folded + assi (attr store1 < 4.891 and attr store1 > 4.791 ) ((attr store1 < 4.09 and attr store1 > 4.03 ) and (bondedto (attr store1 < 107.195722631 and attr store1 > 106.395722631 ) or bondedto (attr store1 < 59.453 and attr store1 > 58.653 ) or bondedto (attr store1 < 11.7102773688 and attr store1 > 10.9102773688 ))) 6 0.1 0.1 peak 2188 volume 25.70457 ppm1 4.060 ppm2 4.841 ! ############### C13_CNnoesy_manual.2189 folded + assi (attr store1 < 8.15 and attr store1 > 8.05 ) ((attr store1 < 4.334 and attr store1 > 4.274 ) and (bondedto (attr store1 < 107.051722631 and attr store1 > 106.251722631 ) or bondedto (attr store1 < 59.309 and attr store1 > 58.509 ) or bondedto (attr store1 < 11.5662773688 and attr store1 > 10.7662773688 ))) 6 0.1 0.1 peak 2189 volume 16.56035 ppm1 4.304 ppm2 8.100 ! ############### C13_CNnoesy_manual.2190 folded + assi (attr store1 < 4.352 and attr store1 > 4.252 ) ((attr store1 < 4.334 and attr store1 > 4.274 ) and (bondedto (attr store1 < 107.019722631 and attr store1 > 106.219722631 ) or bondedto (attr store1 < 59.277 and attr store1 > 58.477 ) or bondedto (attr store1 < 11.5342773688 and attr store1 > 10.7342773688 ))) 6 0.1 0.1 peak 2190 volume 616.65906 ppm1 4.304 ppm2 4.302 ! ############### C13_CNnoesy_manual.2191 folded + assi (attr store1 < 3.404 and attr store1 > 3.304 ) ((attr store1 < 4.334 and attr store1 > 4.274 ) and (bondedto (attr store1 < 107.050722631 and attr store1 > 106.250722631 ) or bondedto (attr store1 < 59.308 and attr store1 > 58.508 ) or bondedto (attr store1 < 11.5652773688 and attr store1 > 10.7652773688 ))) 6 0.1 0.1 peak 2191 volume 30.84757 ppm1 4.304 ppm2 3.354 ! ############### C13_CNnoesy_manual.2192 folded + assi (attr store1 < 2.836 and attr store1 > 2.736 ) ((attr store1 < 4.334 and attr store1 > 4.274 ) and (bondedto (attr store1 < 107.059722631 and attr store1 > 106.259722631 ) or bondedto (attr store1 < 59.317 and attr store1 > 58.517 ) or bondedto (attr store1 < 11.5742773688 and attr store1 > 10.7742773688 ))) 6 0.1 0.1 peak 2192 volume 12.68614 ppm1 4.304 ppm2 2.786 ! ############### C13_CNnoesy_manual.2193 folded + assi (attr store1 < 2.507 and attr store1 > 2.407 ) ((attr store1 < 4.334 and attr store1 > 4.274 ) and (bondedto (attr store1 < 107.024722631 and attr store1 > 106.224722631 ) or bondedto (attr store1 < 59.282 and attr store1 > 58.482 ) or bondedto (attr store1 < 11.5392773688 and attr store1 > 10.7392773688 ))) 6 0.1 0.1 peak 2193 volume 27.85373 ppm1 4.304 ppm2 2.457 ! ############### C13_CNnoesy_manual.2194 folded + assi (attr store1 < 2.026 and attr store1 > 1.926 ) ((attr store1 < 4.333 and attr store1 > 4.273 ) and (bondedto (attr store1 < 107.050722631 and attr store1 > 106.250722631 ) or bondedto (attr store1 < 59.308 and attr store1 > 58.508 ) or bondedto (attr store1 < 11.5652773688 and attr store1 > 10.7652773688 ))) 6 0.1 0.1 peak 2194 volume 81.59588 ppm1 4.303 ppm2 1.976 ! ############### C13_CNnoesy_manual.2195 folded + assi (attr store1 < 1.88 and attr store1 > 1.78 ) ((attr store1 < 4.333 and attr store1 > 4.273 ) and (bondedto (attr store1 < 107.031722631 and attr store1 > 106.231722631 ) or bondedto (attr store1 < 59.289 and attr store1 > 58.489 ) or bondedto (attr store1 < 11.5462773688 and attr store1 > 10.7462773688 ))) 6 0.1 0.1 peak 2195 volume 45.47598 ppm1 4.303 ppm2 1.830 ! ############### C13_CNnoesy_manual.2196 folded + assi (attr store1 < 7.544 and attr store1 > 7.444 ) ((attr store1 < 4.53 and attr store1 > 4.47 ) and (bondedto (attr store1 < 107.013722631 and attr store1 > 106.213722631 ) or bondedto (attr store1 < 59.271 and attr store1 > 58.471 ) or bondedto (attr store1 < 11.5282773688 and attr store1 > 10.7282773688 ))) 6 0.1 0.1 peak 2196 volume 28.41116 ppm1 4.500 ppm2 7.494 ! ############### C13_CNnoesy_manual.2197 folded + assi (attr store1 < 7.272 and attr store1 > 7.172 ) ((attr store1 < 4.53 and attr store1 > 4.47 ) and (bondedto (attr store1 < 106.978722631 and attr store1 > 106.178722631 ) or bondedto (attr store1 < 59.236 and attr store1 > 58.436 ) or bondedto (attr store1 < 11.4932773688 and attr store1 > 10.6932773688 ))) 6 0.1 0.1 peak 2197 volume 14.13476 ppm1 4.500 ppm2 7.222 ! ############### C13_CNnoesy_manual.2198 folded + assi (attr store1 < 4.206 and attr store1 > 4.106 ) ((attr store1 < 4.53 and attr store1 > 4.47 ) and (bondedto (attr store1 < 107.002722631 and attr store1 > 106.202722631 ) or bondedto (attr store1 < 59.26 and attr store1 > 58.46 ) or bondedto (attr store1 < 11.5172773688 and attr store1 > 10.7172773688 ))) 6 0.1 0.1 peak 2198 volume 95.18347 ppm1 4.500 ppm2 4.156 ! ############### C13_CNnoesy_manual.2199 folded + assi (attr store1 < 4.177 and attr store1 > 4.077 ) ((attr store1 < 4.158 and attr store1 > 4.098 ) and (bondedto (attr store1 < 106.988722631 and attr store1 > 106.188722631 ) or bondedto (attr store1 < 59.246 and attr store1 > 58.446 ) or bondedto (attr store1 < 11.5032773688 and attr store1 > 10.7032773688 ))) 6 0.1 0.1 peak 2199 volume 745.87994 ppm1 4.128 ppm2 4.127 ! ############### C13_CNnoesy_manual.2200 folded + assi (attr store1 < 1.782 and attr store1 > 1.682 ) ((attr store1 < 4.16 and attr store1 > 4.1 ) and (bondedto (attr store1 < 106.973722631 and attr store1 > 106.173722631 ) or bondedto (attr store1 < 59.231 and attr store1 > 58.431 ) or bondedto (attr store1 < 11.4882773688 and attr store1 > 10.6882773688 ))) 6 0.1 0.1 peak 2200 volume 27.35676 ppm1 4.130 ppm2 1.732 ! ############### C13_CNnoesy_manual.2201 folded + assi (attr store1 < 1.658 and attr store1 > 1.558 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 106.996722631 and attr store1 > 106.196722631 ) or bondedto (attr store1 < 59.254 and attr store1 > 58.454 ) or bondedto (attr store1 < 11.5112773688 and attr store1 > 10.7112773688 ))) 6 0.1 0.1 peak 2201 volume 26.74866 ppm1 4.132 ppm2 1.608 ! ############### C13_CNnoesy_manual.2202 folded + assi (attr store1 < 1.601 and attr store1 > 1.501 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 106.997722631 and attr store1 > 106.197722631 ) or bondedto (attr store1 < 59.255 and attr store1 > 58.455 ) or bondedto (attr store1 < 11.5122773688 and attr store1 > 10.7122773688 ))) 6 0.1 0.1 peak 2202 volume 35.90625 ppm1 4.132 ppm2 1.551 ! ############### C13_CNnoesy_manual.2203 folded + assi (attr store1 < 7.858 and attr store1 > 7.758 ) ((attr store1 < 4.157 and attr store1 > 4.097 ) and (bondedto (attr store1 < 107.001722631 and attr store1 > 106.201722631 ) or bondedto (attr store1 < 59.259 and attr store1 > 58.459 ) or bondedto (attr store1 < 11.5162773688 and attr store1 > 10.7162773688 ))) 6 0.1 0.1 peak 2203 volume 36.11855 ppm1 4.127 ppm2 7.808 ! ############### C13_CNnoesy_manual.2204 folded + assi (attr store1 < 2.027 and attr store1 > 1.927 ) ((attr store1 < 4.153 and attr store1 > 4.093 ) and (bondedto (attr store1 < 106.984722631 and attr store1 > 106.184722631 ) or bondedto (attr store1 < 59.242 and attr store1 > 58.442 ) or bondedto (attr store1 < 11.4992773688 and attr store1 > 10.6992773688 ))) 6 0.1 0.1 peak 2204 volume 95.71686 ppm1 4.123 ppm2 1.977 ! ############### C13_CNnoesy_manual.2205 folded - assi (attr store1 < 0.928 and attr store1 > 0.828 ) ((attr store1 < 7.41 and attr store1 > 7.35 ) and (bondedto (attr store1 < 130.824083947 and attr store1 > 130.024083947 ) or bondedto (attr store1 < 35.3386386844 and attr store1 > 34.5386386844 ))) 6 0.1 0.1 peak 2205 volume 6.28996 ppm1 7.380 ppm2 0.878 ! ############### C13_CNnoesy_manual.2206 folded - assi (attr store1 < 7.086 and attr store1 > 6.986 ) ((attr store1 < 7.066 and attr store1 > 7.006 ) and (bondedto (attr store1 < 130.876083947 and attr store1 > 130.076083947 ) or bondedto (attr store1 < 35.3906386844 and attr store1 > 34.5906386844 ))) 6 0.1 0.1 peak 2206 volume 14.97357 ppm1 7.036 ppm2 7.036 ! ############### C13_CNnoesy_manual.2207 folded - assi (attr store1 < 7.024 and attr store1 > 6.924 ) ((attr store1 < 7.005 and attr store1 > 6.945 ) and (bondedto (attr store1 < 130.883083947 and attr store1 > 130.083083947 ) or bondedto (attr store1 < 35.3976386844 and attr store1 > 34.5976386844 ))) 6 0.1 0.1 peak 2207 volume 9.80727 ppm1 6.975 ppm2 6.974 ! ############### C13_CNnoesy_manual.2208 folded + assi (attr store1 < 4.918 and attr store1 > 4.818 ) ((attr store1 < 4.732 and attr store1 > 4.672 ) and (bondedto (attr store1 < 106.736722631 and attr store1 > 105.936722631 ) or bondedto (attr store1 < 58.994 and attr store1 > 58.194 ) or bondedto (attr store1 < 11.2512773688 and attr store1 > 10.4512773688 ))) 6 0.1 0.1 peak 2208 volume 22.02353 ppm1 4.702 ppm2 4.868 ! ############### C13_CNnoesy_manual.2209 folded + assi (attr store1 < 7.062 and attr store1 > 6.962 ) ((attr store1 < 4.592 and attr store1 > 4.532 ) and (bondedto (attr store1 < 106.746722631 and attr store1 > 105.946722631 ) or bondedto (attr store1 < 59.004 and attr store1 > 58.204 ) or bondedto (attr store1 < 11.2612773688 and attr store1 > 10.4612773688 ))) 6 0.1 0.1 peak 2209 volume 7.14374 ppm1 4.562 ppm2 7.012 ! ############### C13_CNnoesy_manual.2210 folded + assi (attr store1 < 7.645 and attr store1 > 7.545 ) ((attr store1 < 4.737 and attr store1 > 4.677 ) and (bondedto (attr store1 < 106.723722631 and attr store1 > 105.923722631 ) or bondedto (attr store1 < 58.981 and attr store1 > 58.181 ) or bondedto (attr store1 < 11.2382773688 and attr store1 > 10.4382773688 ))) 6 0.1 0.1 peak 2210 volume 14.66654 ppm1 4.707 ppm2 7.595 ! ############### C13_CNnoesy_manual.2211 folded + assi (attr store1 < 7.46 and attr store1 > 7.36 ) ((attr store1 < 4.733 and attr store1 > 4.673 ) and (bondedto (attr store1 < 106.686722631 and attr store1 > 105.886722631 ) or bondedto (attr store1 < 58.944 and attr store1 > 58.144 ) or bondedto (attr store1 < 11.2012773688 and attr store1 > 10.4012773688 ))) 6 0.1 0.1 peak 2211 volume 26.69161 ppm1 4.703 ppm2 7.410 ! ############### C13_CNnoesy_manual.2212 folded + assi (attr store1 < 5.008 and attr store1 > 4.908 ) ((attr store1 < 4.732 and attr store1 > 4.672 ) and (bondedto (attr store1 < 106.684722631 and attr store1 > 105.884722631 ) or bondedto (attr store1 < 58.942 and attr store1 > 58.142 ) or bondedto (attr store1 < 11.1992773688 and attr store1 > 10.3992773688 ))) 6 0.1 0.1 peak 2212 volume 13.95358 ppm1 4.702 ppm2 4.958 ! ############### C13_CNnoesy_manual.2213 folded + assi (attr store1 < 4.752 and attr store1 > 4.652 ) ((attr store1 < 4.734 and attr store1 > 4.674 ) and (bondedto (attr store1 < 106.683722631 and attr store1 > 105.883722631 ) or bondedto (attr store1 < 58.941 and attr store1 > 58.141 ) or bondedto (attr store1 < 11.1982773688 and attr store1 > 10.3982773688 ))) 6 0.1 0.1 peak 2213 volume 695.08563 ppm1 4.704 ppm2 4.702 ! ############### C13_CNnoesy_manual.2214 folded + assi (attr store1 < 4.183 and attr store1 > 4.083 ) ((attr store1 < 4.734 and attr store1 > 4.674 ) and (bondedto (attr store1 < 106.674722631 and attr store1 > 105.874722631 ) or bondedto (attr store1 < 58.932 and attr store1 > 58.132 ) or bondedto (attr store1 < 11.1892773688 and attr store1 > 10.3892773688 ))) 6 0.1 0.1 peak 2214 volume 87.76597 ppm1 4.704 ppm2 4.133 ! ############### C13_CNnoesy_manual.2215 folded + assi (attr store1 < 2.305 and attr store1 > 2.205 ) ((attr store1 < 4.589 and attr store1 > 4.529 ) and (bondedto (attr store1 < 106.703722631 and attr store1 > 105.903722631 ) or bondedto (attr store1 < 58.961 and attr store1 > 58.161 ) or bondedto (attr store1 < 11.2182773688 and attr store1 > 10.4182773688 ))) 6 0.1 0.1 peak 2215 volume 10.44048 ppm1 4.559 ppm2 2.255 ! ############### C13_CNnoesy_manual.2216 folded + assi (attr store1 < 4.602 and attr store1 > 4.502 ) ((attr store1 < 4.582 and attr store1 > 4.522 ) and (bondedto (attr store1 < 106.705722631 and attr store1 > 105.905722631 ) or bondedto (attr store1 < 58.963 and attr store1 > 58.163 ) or bondedto (attr store1 < 11.2202773688 and attr store1 > 10.4202773688 ))) 6 0.1 0.1 peak 2216 volume 6711.40137 ppm1 4.552 ppm2 4.552 ! ############### C13_CNnoesy_manual.2217 folded + assi (attr store1 < 4.056 and attr store1 > 3.956 ) ((attr store1 < 4.583 and attr store1 > 4.523 ) and (bondedto (attr store1 < 106.682722631 and attr store1 > 105.882722631 ) or bondedto (attr store1 < 58.94 and attr store1 > 58.14 ) or bondedto (attr store1 < 11.1972773688 and attr store1 > 10.3972773688 ))) 6 0.1 0.1 peak 2217 volume 53.51677 ppm1 4.553 ppm2 4.006 ! ############### C13_CNnoesy_manual.2218 folded + assi (attr store1 < 3.249 and attr store1 > 3.149 ) ((attr store1 < 4.585 and attr store1 > 4.525 ) and (bondedto (attr store1 < 106.689722631 and attr store1 > 105.889722631 ) or bondedto (attr store1 < 58.947 and attr store1 > 58.147 ) or bondedto (attr store1 < 11.2042773688 and attr store1 > 10.4042773688 ))) 6 0.1 0.1 peak 2218 volume 148.06000 ppm1 4.555 ppm2 3.199 ! ############### C13_CNnoesy_manual.2219 folded + assi (attr store1 < 2.516 and attr store1 > 2.416 ) ((attr store1 < 4.583 and attr store1 > 4.523 ) and (bondedto (attr store1 < 106.685722631 and attr store1 > 105.885722631 ) or bondedto (attr store1 < 58.943 and attr store1 > 58.143 ) or bondedto (attr store1 < 11.2002773688 and attr store1 > 10.4002773688 ))) 6 0.1 0.1 peak 2219 volume 24.19034 ppm1 4.553 ppm2 2.466 ! ############### C13_CNnoesy_manual.2220 folded + assi (attr store1 < 9.134 and attr store1 > 9.034 ) ((attr store1 < 4.58 and attr store1 > 4.52 ) and (bondedto (attr store1 < 106.579722631 and attr store1 > 105.779722631 ) or bondedto (attr store1 < 58.837 and attr store1 > 58.037 ) or bondedto (attr store1 < 11.0942773688 and attr store1 > 10.2942773688 ))) 6 0.1 0.1 peak 2220 volume 11.28598 ppm1 4.550 ppm2 9.084 ! ############### C13_CNnoesy_manual.2221 folded + assi (attr store1 < 7.36 and attr store1 > 7.26 ) ((attr store1 < 4.585 and attr store1 > 4.525 ) and (bondedto (attr store1 < 106.612722631 and attr store1 > 105.812722631 ) or bondedto (attr store1 < 58.87 and attr store1 > 58.07 ) or bondedto (attr store1 < 11.1272773688 and attr store1 > 10.3272773688 ))) 6 0.1 0.1 peak 2221 volume 13.17544 ppm1 4.555 ppm2 7.310 ! ############### C13_CNnoesy_manual.2222 folded + assi (attr store1 < 8.723 and attr store1 > 8.623 ) ((attr store1 < 4.577 and attr store1 > 4.517 ) and (bondedto (attr store1 < 106.541722631 and attr store1 > 105.741722631 ) or bondedto (attr store1 < 58.799 and attr store1 > 57.999 ) or bondedto (attr store1 < 11.0562773688 and attr store1 > 10.2562773688 ))) 6 0.1 0.1 peak 2222 volume 18.32472 ppm1 4.547 ppm2 8.673 ! ############### C13_CNnoesy_manual.2223 folded + assi (attr store1 < 1.934 and attr store1 > 1.834 ) ((attr store1 < 4.577 and attr store1 > 4.517 ) and (bondedto (attr store1 < 106.503722631 and attr store1 > 105.703722631 ) or bondedto (attr store1 < 58.761 and attr store1 > 57.961 ) or bondedto (attr store1 < 11.0182773688 and attr store1 > 10.2182773688 ))) 6 0.1 0.1 peak 2223 volume 28.29397 ppm1 4.547 ppm2 1.884 ! ############### C13_CNnoesy_manual.2224 folded + assi (attr store1 < 9.258 and attr store1 > 9.158 ) ((attr store1 < 4.574 and attr store1 > 4.514 ) and (bondedto (attr store1 < 106.466722631 and attr store1 > 105.666722631 ) or bondedto (attr store1 < 58.724 and attr store1 > 57.924 ) or bondedto (attr store1 < 10.9812773688 and attr store1 > 10.1812773688 ))) 6 0.1 0.1 peak 2224 volume 15.72373 ppm1 4.544 ppm2 9.208 ! ############### C13_CNnoesy_manual.2225 folded + assi (attr store1 < 1.752 and attr store1 > 1.652 ) ((attr store1 < 4.575 and attr store1 > 4.515 ) and (bondedto (attr store1 < 106.457722631 and attr store1 > 105.657722631 ) or bondedto (attr store1 < 58.715 and attr store1 > 57.915 ) or bondedto (attr store1 < 10.9722773688 and attr store1 > 10.1722773688 ))) 6 0.1 0.1 peak 2225 volume 65.77148 ppm1 4.545 ppm2 1.702 ! ############### C13_CNnoesy_manual.2226 folded + assi (attr store1 < 7.33 and attr store1 > 7.23 ) ((attr store1 < 4.342 and attr store1 > 4.282 ) and (bondedto (attr store1 < 106.487722631 and attr store1 > 105.687722631 ) or bondedto (attr store1 < 58.745 and attr store1 > 57.945 ) or bondedto (attr store1 < 11.0022773688 and attr store1 > 10.2022773688 ))) 6 0.1 0.1 peak 2226 volume 5.69746 ppm1 4.312 ppm2 7.280 ! ############### C13_CNnoesy_manual.2227 folded + assi (attr store1 < 2.032 and attr store1 > 1.932 ) ((attr store1 < 4.339 and attr store1 > 4.279 ) and (bondedto (attr store1 < 106.491722631 and attr store1 > 105.691722631 ) or bondedto (attr store1 < 58.749 and attr store1 > 57.949 ) or bondedto (attr store1 < 11.0062773688 and attr store1 > 10.2062773688 ))) 6 0.1 0.1 peak 2227 volume 70.46561 ppm1 4.309 ppm2 1.982 ! ############### C13_CNnoesy_manual.2228 folded + assi (attr store1 < 1.099 and attr store1 > 0.999 ) ((attr store1 < 4.577 and attr store1 > 4.517 ) and (bondedto (attr store1 < 106.448722631 and attr store1 > 105.648722631 ) or bondedto (attr store1 < 58.706 and attr store1 > 57.906 ) or bondedto (attr store1 < 10.9632773688 and attr store1 > 10.1632773688 ))) 6 0.1 0.1 peak 2228 volume 79.60695 ppm1 4.547 ppm2 1.049 ! ############### C13_CNnoesy_manual.2229 folded + assi (attr store1 < 8.012 and attr store1 > 7.912 ) ((attr store1 < 4.572 and attr store1 > 4.512 ) and (bondedto (attr store1 < 106.411722631 and attr store1 > 105.611722631 ) or bondedto (attr store1 < 58.669 and attr store1 > 57.869 ) or bondedto (attr store1 < 10.9262773688 and attr store1 > 10.1262773688 ))) 6 0.1 0.1 peak 2229 volume 15.82842 ppm1 4.542 ppm2 7.962 ! ############### C13_CNnoesy_manual.2230 folded + assi (attr store1 < 7.684 and attr store1 > 7.584 ) ((attr store1 < 4.57 and attr store1 > 4.51 ) and (bondedto (attr store1 < 106.419722631 and attr store1 > 105.619722631 ) or bondedto (attr store1 < 58.677 and attr store1 > 57.877 ) or bondedto (attr store1 < 10.9342773688 and attr store1 > 10.1342773688 ))) 6 0.1 0.1 peak 2230 volume 22.33047 ppm1 4.540 ppm2 7.634 ! ############### C13_CNnoesy_manual.2231 folded + assi (attr store1 < 6.562 and attr store1 > 6.462 ) ((attr store1 < 4.574 and attr store1 > 4.514 ) and (bondedto (attr store1 < 106.428722631 and attr store1 > 105.628722631 ) or bondedto (attr store1 < 58.686 and attr store1 > 57.886 ) or bondedto (attr store1 < 10.9432773688 and attr store1 > 10.1432773688 ))) 6 0.1 0.1 peak 2231 volume 26.69692 ppm1 4.544 ppm2 6.512 ! ############### C13_CNnoesy_manual.2232 folded + assi (attr store1 < 1.459 and attr store1 > 1.359 ) ((attr store1 < 4.575 and attr store1 > 4.515 ) and (bondedto (attr store1 < 106.378722631 and attr store1 > 105.578722631 ) or bondedto (attr store1 < 58.636 and attr store1 > 57.836 ) or bondedto (attr store1 < 10.8932773688 and attr store1 > 10.0932773688 ))) 6 0.1 0.1 peak 2232 volume 13.48414 ppm1 4.545 ppm2 1.409 ! ############### C13_CNnoesy_manual.2233 folded + assi (attr store1 < 9.446 and attr store1 > 9.346 ) ((attr store1 < 4.538 and attr store1 > 4.478 ) and (bondedto (attr store1 < 106.372722631 and attr store1 > 105.572722631 ) or bondedto (attr store1 < 58.63 and attr store1 > 57.83 ) or bondedto (attr store1 < 10.8872773688 and attr store1 > 10.0872773688 ))) 6 0.1 0.1 peak 2233 volume 8.31563 ppm1 4.508 ppm2 9.396 ! ############### C13_CNnoesy_manual.2234 folded + assi (attr store1 < 7.06 and attr store1 > 6.96 ) ((attr store1 < 4.343 and attr store1 > 4.283 ) and (bondedto (attr store1 < 106.439722631 and attr store1 > 105.639722631 ) or bondedto (attr store1 < 58.697 and attr store1 > 57.897 ) or bondedto (attr store1 < 10.9542773688 and attr store1 > 10.1542773688 ))) 6 0.1 0.1 peak 2234 volume 31.30944 ppm1 4.313 ppm2 7.010 ! ############### C13_CNnoesy_manual.2235 folded + assi (attr store1 < 1.843 and attr store1 > 1.743 ) ((attr store1 < 4.344 and attr store1 > 4.284 ) and (bondedto (attr store1 < 106.440722631 and attr store1 > 105.640722631 ) or bondedto (attr store1 < 58.698 and attr store1 > 57.898 ) or bondedto (attr store1 < 10.9552773688 and attr store1 > 10.1552773688 ))) 6 0.1 0.1 peak 2235 volume 57.48997 ppm1 4.314 ppm2 1.793 ! ############### C13_CNnoesy_manual.2236 folded + assi (attr store1 < 1.715 and attr store1 > 1.615 ) ((attr store1 < 4.341 and attr store1 > 4.281 ) and (bondedto (attr store1 < 106.426722631 and attr store1 > 105.626722631 ) or bondedto (attr store1 < 58.684 and attr store1 > 57.884 ) or bondedto (attr store1 < 10.9412773688 and attr store1 > 10.1412773688 ))) 6 0.1 0.1 peak 2236 volume 54.72158 ppm1 4.311 ppm2 1.665 ! ############### C13_CNnoesy_manual.2237 folded + assi (attr store1 < 1.294 and attr store1 > 1.194 ) ((attr store1 < 4.343 and attr store1 > 4.283 ) and (bondedto (attr store1 < 106.429722631 and attr store1 > 105.629722631 ) or bondedto (attr store1 < 58.687 and attr store1 > 57.887 ) or bondedto (attr store1 < 10.9442773688 and attr store1 > 10.1442773688 ))) 6 0.1 0.1 peak 2237 volume 37.19249 ppm1 4.313 ppm2 1.244 ! ############### C13_CNnoesy_manual.2238 folded + assi (attr store1 < 0.957 and attr store1 > 0.857 ) ((attr store1 < 4.336 and attr store1 > 4.276 ) and (bondedto (attr store1 < 106.382722631 and attr store1 > 105.582722631 ) or bondedto (attr store1 < 58.64 and attr store1 > 57.84 ) or bondedto (attr store1 < 10.8972773688 and attr store1 > 10.0972773688 ))) 6 0.1 0.1 peak 2238 volume 16.47492 ppm1 4.306 ppm2 0.907 ! ############### C13_CNnoesy_manual.2239 folded + assi (attr store1 < 2.705 and attr store1 > 2.605 ) ((attr store1 < 4.537 and attr store1 > 4.477 ) and (bondedto (attr store1 < 106.282722631 and attr store1 > 105.482722631 ) or bondedto (attr store1 < 58.54 and attr store1 > 57.74 ) or bondedto (attr store1 < 10.7972773688 and attr store1 > 9.9972773688 ))) 6 0.1 0.1 peak 2239 volume 28.49391 ppm1 4.507 ppm2 2.655 ! ############### C13_CNnoesy_manual.2240 folded + assi (attr store1 < 0.914 and attr store1 > 0.814 ) ((attr store1 < 4.537 and attr store1 > 4.477 ) and (bondedto (attr store1 < 106.270722631 and attr store1 > 105.470722631 ) or bondedto (attr store1 < 58.528 and attr store1 > 57.728 ) or bondedto (attr store1 < 10.7852773688 and attr store1 > 9.9852773688 ))) 6 0.1 0.1 peak 2240 volume 13.86884 ppm1 4.507 ppm2 0.864 ! ############### C13_CNnoesy_manual.2241 folded + assi (attr store1 < 8.226 and attr store1 > 8.126 ) ((attr store1 < 4.335 and attr store1 > 4.275 ) and (bondedto (attr store1 < 106.331722631 and attr store1 > 105.531722631 ) or bondedto (attr store1 < 58.589 and attr store1 > 57.789 ) or bondedto (attr store1 < 10.8462773688 and attr store1 > 10.0462773688 ))) 6 0.1 0.1 peak 2241 volume 14.12443 ppm1 4.305 ppm2 8.176 ! ############### C13_CNnoesy_manual.2242 folded + assi (attr store1 < 8.692 and attr store1 > 8.592 ) ((attr store1 < 4.319 and attr store1 > 4.259 ) and (bondedto (attr store1 < 106.327722631 and attr store1 > 105.527722631 ) or bondedto (attr store1 < 58.585 and attr store1 > 57.785 ) or bondedto (attr store1 < 10.8422773688 and attr store1 > 10.0422773688 ))) 6 0.1 0.1 peak 2242 volume 43.43653 ppm1 4.289 ppm2 8.642 ! ############### C13_CNnoesy_manual.2243 folded + assi (attr store1 < 8.121 and attr store1 > 8.021 ) ((attr store1 < 4.321 and attr store1 > 4.261 ) and (bondedto (attr store1 < 106.338722631 and attr store1 > 105.538722631 ) or bondedto (attr store1 < 58.596 and attr store1 > 57.796 ) or bondedto (attr store1 < 10.8532773688 and attr store1 > 10.0532773688 ))) 6 0.1 0.1 peak 2243 volume 11.31340 ppm1 4.291 ppm2 8.071 ! ############### C13_CNnoesy_manual.2244 folded + assi (attr store1 < 4.341 and attr store1 > 4.241 ) ((attr store1 < 4.324 and attr store1 > 4.264 ) and (bondedto (attr store1 < 106.335722631 and attr store1 > 105.535722631 ) or bondedto (attr store1 < 58.593 and attr store1 > 57.793 ) or bondedto (attr store1 < 10.8502773688 and attr store1 > 10.0502773688 ))) 6 0.1 0.1 peak 2244 volume 1156.09082 ppm1 4.294 ppm2 4.291 ! ############### C13_CNnoesy_manual.2245 folded + assi (attr store1 < 2.654 and attr store1 > 2.554 ) ((attr store1 < 4.321 and attr store1 > 4.261 ) and (bondedto (attr store1 < 106.326722631 and attr store1 > 105.526722631 ) or bondedto (attr store1 < 58.584 and attr store1 > 57.784 ) or bondedto (attr store1 < 10.8412773688 and attr store1 > 10.0412773688 ))) 6 0.1 0.1 peak 2245 volume 31.78437 ppm1 4.291 ppm2 2.604 ! ############### C13_CNnoesy_manual.2246 folded + assi (attr store1 < 2.385 and attr store1 > 2.285 ) ((attr store1 < 4.323 and attr store1 > 4.263 ) and (bondedto (attr store1 < 106.343722631 and attr store1 > 105.543722631 ) or bondedto (attr store1 < 58.601 and attr store1 > 57.801 ) or bondedto (attr store1 < 10.8582773688 and attr store1 > 10.0582773688 ))) 6 0.1 0.1 peak 2246 volume 67.03459 ppm1 4.293 ppm2 2.335 ! ############### C13_CNnoesy_manual.2247 folded + assi (attr store1 < 2.255 and attr store1 > 2.155 ) ((attr store1 < 4.32 and attr store1 > 4.26 ) and (bondedto (attr store1 < 106.326722631 and attr store1 > 105.526722631 ) or bondedto (attr store1 < 58.584 and attr store1 > 57.784 ) or bondedto (attr store1 < 10.8412773688 and attr store1 > 10.0412773688 ))) 6 0.1 0.1 peak 2247 volume 126.38822 ppm1 4.290 ppm2 2.205 ! ############### C13_CNnoesy_manual.2248 folded + assi (attr store1 < 8.524 and attr store1 > 8.424 ) ((attr store1 < 4.232 and attr store1 > 4.172 ) and (bondedto (attr store1 < 106.300722631 and attr store1 > 105.500722631 ) or bondedto (attr store1 < 58.558 and attr store1 > 57.758 ) or bondedto (attr store1 < 10.8152773688 and attr store1 > 10.0152773688 ))) 6 0.1 0.1 peak 2248 volume 41.00950 ppm1 4.202 ppm2 8.474 ! ############### C13_CNnoesy_manual.2249 folded + assi (attr store1 < 7.076 and attr store1 > 6.976 ) ((attr store1 < 4.227 and attr store1 > 4.167 ) and (bondedto (attr store1 < 106.273722631 and attr store1 > 105.473722631 ) or bondedto (attr store1 < 58.531 and attr store1 > 57.731 ) or bondedto (attr store1 < 10.7882773688 and attr store1 > 9.9882773688 ))) 6 0.1 0.1 peak 2249 volume 8.76200 ppm1 4.197 ppm2 7.026 ! ############### C13_CNnoesy_manual.2250 folded + assi (attr store1 < 3.872 and attr store1 > 3.772 ) ((attr store1 < 4.23 and attr store1 > 4.17 ) and (bondedto (attr store1 < 106.287722631 and attr store1 > 105.487722631 ) or bondedto (attr store1 < 58.545 and attr store1 > 57.745 ) or bondedto (attr store1 < 10.8022773688 and attr store1 > 10.0022773688 ))) 6 0.1 0.1 peak 2250 volume 7.41048 ppm1 4.200 ppm2 3.822 ! ############### C13_CNnoesy_manual.2251 folded + assi (attr store1 < 2.215 and attr store1 > 2.115 ) ((attr store1 < 4.233 and attr store1 > 4.173 ) and (bondedto (attr store1 < 106.277722631 and attr store1 > 105.477722631 ) or bondedto (attr store1 < 58.535 and attr store1 > 57.735 ) or bondedto (attr store1 < 10.7922773688 and attr store1 > 9.9922773688 ))) 6 0.1 0.1 peak 2251 volume 18.30304 ppm1 4.203 ppm2 2.165 ! ############### C13_CNnoesy_manual.2252 folded - assi (attr store1 < 6.892 and attr store1 > 6.792 ) ((attr store1 < 2.637 and attr store1 > 2.577 ) and (bondedto (attr store1 < 130.159083947 and attr store1 > 129.359083947 ) or bondedto (attr store1 < 34.6736386844 and attr store1 > 33.8736386844 ))) 6 0.1 0.1 peak 2252 volume 8.17336 ppm1 2.607 ppm2 6.842 ! ############### C13_CNnoesy_manual.2253 folded - assi (attr store1 < 4.44 and attr store1 > 4.34 ) ((attr store1 < 2.639 and attr store1 > 2.579 ) and (bondedto (attr store1 < 130.141083947 and attr store1 > 129.341083947 ) or bondedto (attr store1 < 34.6556386844 and attr store1 > 33.8556386844 ))) 6 0.1 0.1 peak 2253 volume 49.49862 ppm1 2.609 ppm2 4.390 ! ############### C13_CNnoesy_manual.2254 folded + assi (attr store1 < 7.257 and attr store1 > 7.157 ) ((attr store1 < 4.564 and attr store1 > 4.504 ) and (bondedto (attr store1 < 106.177722631 and attr store1 > 105.377722631 ) or bondedto (attr store1 < 58.435 and attr store1 > 57.635 ) or bondedto (attr store1 < 10.6922773688 and attr store1 > 9.8922773688 ))) 6 0.1 0.1 peak 2254 volume 23.78109 ppm1 4.534 ppm2 7.207 ! ############### C13_CNnoesy_manual.2255 folded + assi (attr store1 < 6.811 and attr store1 > 6.711 ) ((attr store1 < 4.567 and attr store1 > 4.507 ) and (bondedto (attr store1 < 106.178722631 and attr store1 > 105.378722631 ) or bondedto (attr store1 < 58.436 and attr store1 > 57.636 ) or bondedto (attr store1 < 10.6932773688 and attr store1 > 9.8932773688 ))) 6 0.1 0.1 peak 2255 volume 12.32609 ppm1 4.537 ppm2 6.761 ! ############### C13_CNnoesy_manual.2256 folded + assi (attr store1 < 3.069 and attr store1 > 2.969 ) ((attr store1 < 4.559 and attr store1 > 4.499 ) and (bondedto (attr store1 < 106.202722631 and attr store1 > 105.402722631 ) or bondedto (attr store1 < 58.46 and attr store1 > 57.66 ) or bondedto (attr store1 < 10.7172773688 and attr store1 > 9.9172773688 ))) 6 0.1 0.1 peak 2256 volume 97.43632 ppm1 4.529 ppm2 3.019 ! ############### C13_CNnoesy_manual.2257 folded + assi (attr store1 < 2.316 and attr store1 > 2.216 ) ((attr store1 < 4.542 and attr store1 > 4.482 ) and (bondedto (attr store1 < 106.251722631 and attr store1 > 105.451722631 ) or bondedto (attr store1 < 58.509 and attr store1 > 57.709 ) or bondedto (attr store1 < 10.7662773688 and attr store1 > 9.9662773688 ))) 6 0.1 0.1 peak 2257 volume 7.31332 ppm1 4.512 ppm2 2.266 ! ############### C13_CNnoesy_manual.2258 folded + assi (attr store1 < 8.506 and attr store1 > 8.406 ) ((attr store1 < 4.332 and attr store1 > 4.272 ) and (bondedto (attr store1 < 106.247722631 and attr store1 > 105.447722631 ) or bondedto (attr store1 < 58.505 and attr store1 > 57.705 ) or bondedto (attr store1 < 10.7622773688 and attr store1 > 9.9622773688 ))) 6 0.1 0.1 peak 2258 volume 6.22217 ppm1 4.302 ppm2 8.456 ! ############### C13_CNnoesy_manual.2259 folded + assi (attr store1 < 8.702 and attr store1 > 8.602 ) ((attr store1 < 4.233 and attr store1 > 4.173 ) and (bondedto (attr store1 < 106.256722631 and attr store1 > 105.456722631 ) or bondedto (attr store1 < 58.514 and attr store1 > 57.714 ) or bondedto (attr store1 < 10.7712773688 and attr store1 > 9.9712773688 ))) 6 0.1 0.1 peak 2259 volume 19.15238 ppm1 4.203 ppm2 8.652 ! ############### C13_CNnoesy_manual.2260 folded + assi (attr store1 < 8.233 and attr store1 > 8.133 ) ((attr store1 < 4.224 and attr store1 > 4.164 ) and (bondedto (attr store1 < 106.178722631 and attr store1 > 105.378722631 ) or bondedto (attr store1 < 58.436 and attr store1 > 57.636 ) or bondedto (attr store1 < 10.6932773688 and attr store1 > 9.8932773688 ))) 6 0.1 0.1 peak 2260 volume 23.11963 ppm1 4.194 ppm2 8.183 ! ############### C13_CNnoesy_manual.2261 folded + assi (attr store1 < 2.052 and attr store1 > 1.952 ) ((attr store1 < 4.229 and attr store1 > 4.169 ) and (bondedto (attr store1 < 106.244722631 and attr store1 > 105.444722631 ) or bondedto (attr store1 < 58.502 and attr store1 > 57.702 ) or bondedto (attr store1 < 10.7592773688 and attr store1 > 9.9592773688 ))) 6 0.1 0.1 peak 2261 volume 73.54795 ppm1 4.199 ppm2 2.002 ! ############### C13_CNnoesy_manual.2262 folded + assi (attr store1 < 1.892 and attr store1 > 1.792 ) ((attr store1 < 4.229 and attr store1 > 4.169 ) and (bondedto (attr store1 < 106.261722631 and attr store1 > 105.461722631 ) or bondedto (attr store1 < 58.519 and attr store1 > 57.719 ) or bondedto (attr store1 < 10.7762773688 and attr store1 > 9.9762773688 ))) 6 0.1 0.1 peak 2262 volume 92.96591 ppm1 4.199 ppm2 1.842 ! ############### C13_CNnoesy_manual.2263 folded + assi (attr store1 < 1.083 and attr store1 > 0.983 ) ((attr store1 < 4.23 and attr store1 > 4.17 ) and (bondedto (attr store1 < 106.264722631 and attr store1 > 105.464722631 ) or bondedto (attr store1 < 58.522 and attr store1 > 57.722 ) or bondedto (attr store1 < 10.7792773688 and attr store1 > 9.9792773688 ))) 6 0.1 0.1 peak 2263 volume 134.75537 ppm1 4.200 ppm2 1.033 ! ############### C13_CNnoesy_manual.2264 folded - assi (attr store1 < 7.912 and attr store1 > 7.812 ) ((attr store1 < 4.243 and attr store1 > 4.183 ) and (bondedto (attr store1 < 130.054083947 and attr store1 > 129.254083947 ) or bondedto (attr store1 < 34.5686386844 and attr store1 > 33.7686386844 ))) 6 0.1 0.1 peak 2264 volume 6.72439 ppm1 4.213 ppm2 7.862 ! ############### C13_CNnoesy_manual.2265 folded - assi (attr store1 < 7.853 and attr store1 > 7.753 ) ((attr store1 < 2.637 and attr store1 > 2.577 ) and (bondedto (attr store1 < 130.139083947 and attr store1 > 129.339083947 ) or bondedto (attr store1 < 34.6536386844 and attr store1 > 33.8536386844 ))) 6 0.1 0.1 peak 2265 volume 22.62845 ppm1 2.607 ppm2 7.803 ! ############### C13_CNnoesy_manual.2266 folded - assi (attr store1 < 7.523 and attr store1 > 7.423 ) ((attr store1 < 2.634 and attr store1 > 2.574 ) and (bondedto (attr store1 < 130.130083947 and attr store1 > 129.330083947 ) or bondedto (attr store1 < 34.6446386844 and attr store1 > 33.8446386844 ))) 6 0.1 0.1 peak 2266 volume 9.28663 ppm1 2.604 ppm2 7.473 ! ############### C13_CNnoesy_manual.2267 folded - assi (attr store1 < 2.303 and attr store1 > 2.203 ) ((attr store1 < 2.637 and attr store1 > 2.577 ) and (bondedto (attr store1 < 130.113083947 and attr store1 > 129.313083947 ) or bondedto (attr store1 < 34.6276386844 and attr store1 > 33.8276386844 ))) 6 0.1 0.1 peak 2267 volume 114.97511 ppm1 2.607 ppm2 2.253 ! ############### C13_CNnoesy_manual.2268 folded - assi (attr store1 < 1.421 and attr store1 > 1.321 ) ((attr store1 < 2.637 and attr store1 > 2.577 ) and (bondedto (attr store1 < 130.105083947 and attr store1 > 129.305083947 ) or bondedto (attr store1 < 34.6196386844 and attr store1 > 33.8196386844 ))) 6 0.1 0.1 peak 2268 volume 6.81065 ppm1 2.607 ppm2 1.371 ! ############### C13_CNnoesy_manual.2269 folded - assi (attr store1 < 1.111 and attr store1 > 1.011 ) ((attr store1 < 2.64 and attr store1 > 2.58 ) and (bondedto (attr store1 < 130.115083947 and attr store1 > 129.315083947 ) or bondedto (attr store1 < 34.6296386844 and attr store1 > 33.8296386844 ))) 6 0.1 0.1 peak 2269 volume 17.05428 ppm1 2.610 ppm2 1.061 ! ############### C13_CNnoesy_manual.2270 folded - assi (attr store1 < 7.046 and attr store1 > 6.946 ) ((attr store1 < 2.627 and attr store1 > 2.567 ) and (bondedto (attr store1 < 130.060083947 and attr store1 > 129.260083947 ) or bondedto (attr store1 < 34.5746386844 and attr store1 > 33.7746386844 ))) 6 0.1 0.1 peak 2270 volume 10.5464 ppm1 2.597 ppm2 6.996 ! ############### C13_CNnoesy_manual.2271 folded - assi (attr store1 < 4.89 and attr store1 > 4.79 ) ((attr store1 < 2.629 and attr store1 > 2.569 ) and (bondedto (attr store1 < 130.126083947 and attr store1 > 129.326083947 ) or bondedto (attr store1 < 34.6406386844 and attr store1 > 33.8406386844 ))) 6 0.1 0.1 peak 2271 volume 18.57345 ppm1 2.599 ppm2 4.840 ! ############### C13_CNnoesy_manual.2272 folded - assi (attr store1 < 2.642 and attr store1 > 2.542 ) ((attr store1 < 2.633 and attr store1 > 2.573 ) and (bondedto (attr store1 < 130.094083947 and attr store1 > 129.294083947 ) or bondedto (attr store1 < 34.6086386844 and attr store1 > 33.8086386844 ))) 6 0.1 0.1 peak 2272 volume 2744.52124 ppm1 2.603 ppm2 2.592 ! ############### C13_CNnoesy_manual.2273 folded + assi (attr store1 < 3.343 and attr store1 > 3.243 ) ((attr store1 < 4.565 and attr store1 > 4.505 ) and (bondedto (attr store1 < 106.168722631 and attr store1 > 105.368722631 ) or bondedto (attr store1 < 58.426 and attr store1 > 57.626 ) or bondedto (attr store1 < 10.6832773688 and attr store1 > 9.8832773688 ))) 6 0.1 0.1 peak 2273 volume 78.98985 ppm1 4.535 ppm2 3.293 ! ############### C13_CNnoesy_manual.2274 folded + assi (attr store1 < 0.918 and attr store1 > 0.818 ) ((attr store1 < 4.224 and attr store1 > 4.164 ) and (bondedto (attr store1 < 106.172722631 and attr store1 > 105.372722631 ) or bondedto (attr store1 < 58.43 and attr store1 > 57.63 ) or bondedto (attr store1 < 10.6872773688 and attr store1 > 9.8872773688 ))) 6 0.1 0.1 peak 2274 volume 108.15830 ppm1 4.194 ppm2 0.868 ! ############### C13_CNnoesy_manual.2275 folded + assi (attr store1 < 7.341 and attr store1 > 7.241 ) ((attr store1 < 4.222 and attr store1 > 4.162 ) and (bondedto (attr store1 < 106.153722631 and attr store1 > 105.353722631 ) or bondedto (attr store1 < 58.411 and attr store1 > 57.611 ) or bondedto (attr store1 < 10.6682773688 and attr store1 > 9.8682773688 ))) 6 0.1 0.1 peak 2275 volume 15.86586 ppm1 4.192 ppm2 7.291 ! ############### C13_CNnoesy_manual.2276 folded + assi (attr store1 < 6.789 and attr store1 > 6.689 ) ((attr store1 < 4.221 and attr store1 > 4.161 ) and (bondedto (attr store1 < 106.143722631 and attr store1 > 105.343722631 ) or bondedto (attr store1 < 58.401 and attr store1 > 57.601 ) or bondedto (attr store1 < 10.6582773688 and attr store1 > 9.8582773688 ))) 6 0.1 0.1 peak 2276 volume 5.85144 ppm1 4.191 ppm2 6.739 ! ############### C13_CNnoesy_manual.2277 folded + assi (attr store1 < 1.547 and attr store1 > 1.447 ) ((attr store1 < 4.223 and attr store1 > 4.163 ) and (bondedto (attr store1 < 106.147722631 and attr store1 > 105.347722631 ) or bondedto (attr store1 < 58.405 and attr store1 > 57.605 ) or bondedto (attr store1 < 10.6622773688 and attr store1 > 9.8622773688 ))) 6 0.1 0.1 peak 2277 volume 37.97472 ppm1 4.193 ppm2 1.497 ! ############### C13_CNnoesy_manual.2278 folded + assi (attr store1 < 1.233 and attr store1 > 1.133 ) ((attr store1 < 4.22 and attr store1 > 4.16 ) and (bondedto (attr store1 < 106.147722631 and attr store1 > 105.347722631 ) or bondedto (attr store1 < 58.405 and attr store1 > 57.605 ) or bondedto (attr store1 < 10.6622773688 and attr store1 > 9.8622773688 ))) 6 0.1 0.1 peak 2278 volume 16.76893 ppm1 4.190 ppm2 1.183 ! ############### C13_CNnoesy_manual.2279 folded + assi (attr store1 < 2.655 and attr store1 > 2.555 ) ((attr store1 < 0.786 and attr store1 > 0.726 ) and (bondedto (attr store1 < 106.133722631 and attr store1 > 105.333722631 ) or bondedto (attr store1 < 58.391 and attr store1 > 57.591 ) or bondedto (attr store1 < 10.6482773688 and attr store1 > 9.8482773688 ))) 6 0.1 0.1 peak 2279 volume 6.52829 ppm1 0.756 ppm2 2.605 ! ############### C13_CNnoesy_manual.2280 folded + assi (attr store1 < 8.518 and attr store1 > 8.418 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.110722631 and attr store1 > 105.310722631 ) or bondedto (attr store1 < 58.368 and attr store1 > 57.568 ) or bondedto (attr store1 < 10.6252773688 and attr store1 > 9.8252773688 ))) 6 0.1 0.1 peak 2280 volume 6.76504 ppm1 0.749 ppm2 8.468 ! ############### C13_CNnoesy_manual.2281 folded + assi (attr store1 < 8.199 and attr store1 > 8.099 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.110722631 and attr store1 > 105.310722631 ) or bondedto (attr store1 < 58.368 and attr store1 > 57.568 ) or bondedto (attr store1 < 10.6252773688 and attr store1 > 9.8252773688 ))) 6 0.1 0.1 peak 2281 volume 7.48933 ppm1 0.749 ppm2 8.149 ! ############### C13_CNnoesy_manual.2282 folded + assi (attr store1 < 8.049 and attr store1 > 7.949 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.111722631 and attr store1 > 105.311722631 ) or bondedto (attr store1 < 58.369 and attr store1 > 57.569 ) or bondedto (attr store1 < 10.6262773688 and attr store1 > 9.8262773688 ))) 6 0.1 0.1 peak 2282 volume 21.40549 ppm1 0.749 ppm2 7.999 ! ############### C13_CNnoesy_manual.2283 folded + assi (attr store1 < 7.676 and attr store1 > 7.576 ) ((attr store1 < 0.778 and attr store1 > 0.718 ) and (bondedto (attr store1 < 106.110722631 and attr store1 > 105.310722631 ) or bondedto (attr store1 < 58.368 and attr store1 > 57.568 ) or bondedto (attr store1 < 10.6252773688 and attr store1 > 9.8252773688 ))) 6 0.1 0.1 peak 2283 volume 7.13551 ppm1 0.748 ppm2 7.626 ! ############### C13_CNnoesy_manual.2284 folded + assi (attr store1 < 7.027 and attr store1 > 6.927 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.101722631 and attr store1 > 105.301722631 ) or bondedto (attr store1 < 58.359 and attr store1 > 57.559 ) or bondedto (attr store1 < 10.6162773688 and attr store1 > 9.8162773688 ))) 6 0.1 0.1 peak 2284 volume 9.62691 ppm1 0.749 ppm2 6.977 ! ############### C13_CNnoesy_manual.2285 folded + assi (attr store1 < 5.037 and attr store1 > 4.937 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.119722631 and attr store1 > 105.319722631 ) or bondedto (attr store1 < 58.377 and attr store1 > 57.577 ) or bondedto (attr store1 < 10.6342773688 and attr store1 > 9.8342773688 ))) 6 0.1 0.1 peak 2285 volume 17.82521 ppm1 0.749 ppm2 4.987 ! ############### C13_CNnoesy_manual.2286 folded + assi (attr store1 < 4.884 and attr store1 > 4.784 ) ((attr store1 < 0.777 and attr store1 > 0.717 ) and (bondedto (attr store1 < 106.129722631 and attr store1 > 105.329722631 ) or bondedto (attr store1 < 58.387 and attr store1 > 57.587 ) or bondedto (attr store1 < 10.6442773688 and attr store1 > 9.8442773688 ))) 6 0.1 0.1 peak 2286 volume 16.91087 ppm1 0.747 ppm2 4.834 ! ############### C13_CNnoesy_manual.2287 folded + assi (attr store1 < 4.088 and attr store1 > 3.988 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.117722631 and attr store1 > 105.317722631 ) or bondedto (attr store1 < 58.375 and attr store1 > 57.575 ) or bondedto (attr store1 < 10.6322773688 and attr store1 > 9.8322773688 ))) 6 0.1 0.1 peak 2287 volume 127.71140 ppm1 0.749 ppm2 4.038 ! ############### C13_CNnoesy_manual.2288 folded + assi (attr store1 < 3.348 and attr store1 > 3.248 ) ((attr store1 < 0.78 and attr store1 > 0.72 ) and (bondedto (attr store1 < 106.130722631 and attr store1 > 105.330722631 ) or bondedto (attr store1 < 58.388 and attr store1 > 57.588 ) or bondedto (attr store1 < 10.6452773688 and attr store1 > 9.8452773688 ))) 6 0.1 0.1 peak 2288 volume 11.49127 ppm1 0.750 ppm2 3.298 ! ############### C13_CNnoesy_manual.2289 folded + assi (attr store1 < 2.282 and attr store1 > 2.182 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.116722631 and attr store1 > 105.316722631 ) or bondedto (attr store1 < 58.374 and attr store1 > 57.574 ) or bondedto (attr store1 < 10.6312773688 and attr store1 > 9.8312773688 ))) 6 0.1 0.1 peak 2289 volume 41.88958 ppm1 0.749 ppm2 2.232 ! ############### C13_CNnoesy_manual.2290 folded + assi (attr store1 < 2.014 and attr store1 > 1.914 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.114722631 and attr store1 > 105.314722631 ) or bondedto (attr store1 < 58.372 and attr store1 > 57.572 ) or bondedto (attr store1 < 10.6292773688 and attr store1 > 9.8292773688 ))) 6 0.1 0.1 peak 2290 volume 99.58896 ppm1 0.749 ppm2 1.964 ! ############### C13_CNnoesy_manual.2291 folded + assi (attr store1 < 1.526 and attr store1 > 1.426 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.129722631 and attr store1 > 105.329722631 ) or bondedto (attr store1 < 58.387 and attr store1 > 57.587 ) or bondedto (attr store1 < 10.6442773688 and attr store1 > 9.8442773688 ))) 6 0.1 0.1 peak 2291 volume 89.83884 ppm1 0.749 ppm2 1.476 ! ############### C13_CNnoesy_manual.2292 folded + assi (attr store1 < 0.961 and attr store1 > 0.861 ) ((attr store1 < 0.777 and attr store1 > 0.717 ) and (bondedto (attr store1 < 106.110722631 and attr store1 > 105.310722631 ) or bondedto (attr store1 < 58.368 and attr store1 > 57.568 ) or bondedto (attr store1 < 10.6252773688 and attr store1 > 9.8252773688 ))) 6 0.1 0.1 peak 2292 volume 98.27222 ppm1 0.747 ppm2 0.911 ! ############### C13_CNnoesy_manual.2293 folded + assi (attr store1 < 0.799 and attr store1 > 0.699 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.119722631 and attr store1 > 105.319722631 ) or bondedto (attr store1 < 58.377 and attr store1 > 57.577 ) or bondedto (attr store1 < 10.6342773688 and attr store1 > 9.8342773688 ))) 6 0.1 0.1 peak 2293 volume 3003.26514 ppm1 0.749 ppm2 0.749 ! ############### C13_CNnoesy_manual.2294 folded - assi (attr store1 < 3.907 and attr store1 > 3.807 ) ((attr store1 < 2.622 and attr store1 > 2.562 ) and (bondedto (attr store1 < 130.015083947 and attr store1 > 129.215083947 ) or bondedto (attr store1 < 34.5296386844 and attr store1 > 33.7296386844 ))) 6 0.1 0.1 peak 2294 volume 20.84881 ppm1 2.592 ppm2 3.857 ! ############### C13_CNnoesy_manual.2295 folded - assi (attr store1 < 2.16 and attr store1 > 2.06 ) ((attr store1 < 2.616 and attr store1 > 2.556 ) and (bondedto (attr store1 < 130.029083947 and attr store1 > 129.229083947 ) or bondedto (attr store1 < 34.5436386844 and attr store1 > 33.7436386844 ))) 6 0.1 0.1 peak 2295 volume 43.07592 ppm1 2.586 ppm2 2.110 ! ############### C13_CNnoesy_manual.2296 folded + assi (attr store1 < 7.484 and attr store1 > 7.384 ) ((attr store1 < 4.11 and attr store1 > 4.05 ) and (bondedto (attr store1 < 106.002722631 and attr store1 > 105.202722631 ) or bondedto (attr store1 < 58.26 and attr store1 > 57.46 ) or bondedto (attr store1 < 10.5172773688 and attr store1 > 9.7172773688 ))) 6 0.1 0.1 peak 2296 volume 8.57966 ppm1 4.080 ppm2 7.434 ! ############### C13_CNnoesy_manual.2297 folded + assi (attr store1 < 4.131 and attr store1 > 4.031 ) ((attr store1 < 4.111 and attr store1 > 4.051 ) and (bondedto (attr store1 < 106.006722631 and attr store1 > 105.206722631 ) or bondedto (attr store1 < 58.264 and attr store1 > 57.464 ) or bondedto (attr store1 < 10.5212773688 and attr store1 > 9.7212773688 ))) 6 0.1 0.1 peak 2297 volume 416.80667 ppm1 4.081 ppm2 4.081 ! ############### C13_CNnoesy_manual.2298 folded + assi (attr store1 < 3.054 and attr store1 > 2.954 ) ((attr store1 < 4.109 and attr store1 > 4.049 ) and (bondedto (attr store1 < 106.013722631 and attr store1 > 105.213722631 ) or bondedto (attr store1 < 58.271 and attr store1 > 57.471 ) or bondedto (attr store1 < 10.5282773688 and attr store1 > 9.7282773688 ))) 6 0.1 0.1 peak 2298 volume 18.60868 ppm1 4.079 ppm2 3.004 ! ############### C13_CNnoesy_manual.2299 folded + assi (attr store1 < 1.854 and attr store1 > 1.754 ) ((attr store1 < 4.111 and attr store1 > 4.051 ) and (bondedto (attr store1 < 105.997722631 and attr store1 > 105.197722631 ) or bondedto (attr store1 < 58.255 and attr store1 > 57.455 ) or bondedto (attr store1 < 10.5122773688 and attr store1 > 9.7122773688 ))) 6 0.1 0.1 peak 2299 volume 25.69077 ppm1 4.081 ppm2 1.804 ! ############### C13_CNnoesy_manual.2300 folded + assi (attr store1 < 1.649 and attr store1 > 1.549 ) ((attr store1 < 4.109 and attr store1 > 4.049 ) and (bondedto (attr store1 < 106.007722631 and attr store1 > 105.207722631 ) or bondedto (attr store1 < 58.265 and attr store1 > 57.465 ) or bondedto (attr store1 < 10.5222773688 and attr store1 > 9.7222773688 ))) 6 0.1 0.1 peak 2300 volume 8.71751 ppm1 4.079 ppm2 1.599 ! ############### C13_CNnoesy_manual.2301 folded + assi (attr store1 < 8.707 and attr store1 > 8.607 ) ((attr store1 < 4.106 and attr store1 > 4.046 ) and (bondedto (attr store1 < 106.025722631 and attr store1 > 105.225722631 ) or bondedto (attr store1 < 58.283 and attr store1 > 57.483 ) or bondedto (attr store1 < 10.5402773688 and attr store1 > 9.7402773688 ))) 6 0.1 0.1 peak 2301 volume 8.98275 ppm1 4.076 ppm2 8.657 ! ############### C13_CNnoesy_manual.2302 folded + assi (attr store1 < 8.464 and attr store1 > 8.364 ) ((attr store1 < 4.106 and attr store1 > 4.046 ) and (bondedto (attr store1 < 105.981722631 and attr store1 > 105.181722631 ) or bondedto (attr store1 < 58.239 and attr store1 > 57.439 ) or bondedto (attr store1 < 10.4962773688 and attr store1 > 9.6962773688 ))) 6 0.1 0.1 peak 2302 volume 25.93337 ppm1 4.076 ppm2 8.414 ! ############### C13_CNnoesy_manual.2303 folded + assi (attr store1 < 7.648 and attr store1 > 7.548 ) ((attr store1 < 4.107 and attr store1 > 4.047 ) and (bondedto (attr store1 < 105.985722631 and attr store1 > 105.185722631 ) or bondedto (attr store1 < 58.243 and attr store1 > 57.443 ) or bondedto (attr store1 < 10.5002773688 and attr store1 > 9.7002773688 ))) 6 0.1 0.1 peak 2303 volume 13.14662 ppm1 4.077 ppm2 7.598 ! ############### C13_CNnoesy_manual.2304 folded + assi (attr store1 < 3.685 and attr store1 > 3.585 ) ((attr store1 < 4.108 and attr store1 > 4.048 ) and (bondedto (attr store1 < 105.972722631 and attr store1 > 105.172722631 ) or bondedto (attr store1 < 58.23 and attr store1 > 57.43 ) or bondedto (attr store1 < 10.4872773688 and attr store1 > 9.6872773688 ))) 6 0.1 0.1 peak 2304 volume 20.80293 ppm1 4.078 ppm2 3.635 ! ############### C13_CNnoesy_manual.2305 folded + assi (attr store1 < 2.048 and attr store1 > 1.948 ) ((attr store1 < 4.109 and attr store1 > 4.049 ) and (bondedto (attr store1 < 105.986722631 and attr store1 > 105.186722631 ) or bondedto (attr store1 < 58.244 and attr store1 > 57.444 ) or bondedto (attr store1 < 10.5012773688 and attr store1 > 9.7012773688 ))) 6 0.1 0.1 peak 2305 volume 26.12574 ppm1 4.079 ppm2 1.998 ! ############### C13_CNnoesy_manual.2306 folded + assi (attr store1 < 1.321 and attr store1 > 1.221 ) ((attr store1 < 4.108 and attr store1 > 4.048 ) and (bondedto (attr store1 < 105.978722631 and attr store1 > 105.178722631 ) or bondedto (attr store1 < 58.236 and attr store1 > 57.436 ) or bondedto (attr store1 < 10.4932773688 and attr store1 > 9.6932773688 ))) 6 0.1 0.1 peak 2306 volume 34.83670 ppm1 4.078 ppm2 1.271 ! ############### C13_CNnoesy_manual.2307 folded + assi (attr store1 < 0.825 and attr store1 > 0.725 ) ((attr store1 < 4.109 and attr store1 > 4.049 ) and (bondedto (attr store1 < 105.982722631 and attr store1 > 105.182722631 ) or bondedto (attr store1 < 58.24 and attr store1 > 57.44 ) or bondedto (attr store1 < 10.4972773688 and attr store1 > 9.6972773688 ))) 6 0.1 0.1 peak 2307 volume 105.50638 ppm1 4.079 ppm2 0.775 ! ############### C13_CNnoesy_manual.2308 folded + assi (attr store1 < 8.401 and attr store1 > 8.301 ) ((attr store1 < 4.333 and attr store1 > 4.273 ) and (bondedto (attr store1 < 105.730722631 and attr store1 > 104.930722631 ) or bondedto (attr store1 < 57.988 and attr store1 > 57.188 ) or bondedto (attr store1 < 10.2452773688 and attr store1 > 9.4452773688 ))) 6 0.1 0.1 peak 2308 volume 15.26665 ppm1 4.303 ppm2 8.351 ! ############### C13_CNnoesy_manual.2309 folded + assi (attr store1 < 8.231 and attr store1 > 8.131 ) ((attr store1 < 4.33 and attr store1 > 4.27 ) and (bondedto (attr store1 < 105.747722631 and attr store1 > 104.947722631 ) or bondedto (attr store1 < 58.005 and attr store1 > 57.205 ) or bondedto (attr store1 < 10.2622773688 and attr store1 > 9.4622773688 ))) 6 0.1 0.1 peak 2309 volume 38.55150 ppm1 4.300 ppm2 8.181 ! ############### C13_CNnoesy_manual.2310 folded + assi (attr store1 < 1.73 and attr store1 > 1.63 ) ((attr store1 < 4.329 and attr store1 > 4.269 ) and (bondedto (attr store1 < 105.749722631 and attr store1 > 104.949722631 ) or bondedto (attr store1 < 58.007 and attr store1 > 57.207 ) or bondedto (attr store1 < 10.2642773688 and attr store1 > 9.4642773688 ))) 6 0.1 0.1 peak 2310 volume 83.74966 ppm1 4.299 ppm2 1.680 ! ############### C13_CNnoesy_manual.2311 folded + assi (attr store1 < 1.051 and attr store1 > 0.951 ) ((attr store1 < 4.33 and attr store1 > 4.27 ) and (bondedto (attr store1 < 105.734722631 and attr store1 > 104.934722631 ) or bondedto (attr store1 < 57.992 and attr store1 > 57.192 ) or bondedto (attr store1 < 10.2492773688 and attr store1 > 9.4492773688 ))) 6 0.1 0.1 peak 2311 volume 87.33174 ppm1 4.300 ppm2 1.001 ! ############### C13_CNnoesy_manual.2312 folded + assi (attr store1 < 7.741 and attr store1 > 7.641 ) ((attr store1 < 3.981 and attr store1 > 3.921 ) and (bondedto (attr store1 < 105.742722631 and attr store1 > 104.942722631 ) or bondedto (attr store1 < 58.0 and attr store1 > 57.2 ) or bondedto (attr store1 < 10.2572773688 and attr store1 > 9.4572773688 ))) 6 0.1 0.1 peak 2312 volume 11.26070 ppm1 3.951 ppm2 7.691 ! ############### C13_CNnoesy_manual.2313 folded + assi (attr store1 < 7.365 and attr store1 > 7.265 ) ((attr store1 < 3.982 and attr store1 > 3.922 ) and (bondedto (attr store1 < 105.749722631 and attr store1 > 104.949722631 ) or bondedto (attr store1 < 58.007 and attr store1 > 57.207 ) or bondedto (attr store1 < 10.2642773688 and attr store1 > 9.4642773688 ))) 6 0.1 0.1 peak 2313 volume 27.59269 ppm1 3.952 ppm2 7.315 ! ############### C13_CNnoesy_manual.2314 folded + assi (attr store1 < 4.001 and attr store1 > 3.901 ) ((attr store1 < 3.982 and attr store1 > 3.922 ) and (bondedto (attr store1 < 105.746722631 and attr store1 > 104.946722631 ) or bondedto (attr store1 < 58.004 and attr store1 > 57.204 ) or bondedto (attr store1 < 10.2612773688 and attr store1 > 9.4612773688 ))) 6 0.1 0.1 peak 2314 volume 545.45850 ppm1 3.952 ppm2 3.951 ! ############### C13_CNnoesy_manual.2315 folded + assi (attr store1 < 1.832 and attr store1 > 1.732 ) ((attr store1 < 3.982 and attr store1 > 3.922 ) and (bondedto (attr store1 < 105.748722631 and attr store1 > 104.948722631 ) or bondedto (attr store1 < 58.006 and attr store1 > 57.206 ) or bondedto (attr store1 < 10.2632773688 and attr store1 > 9.4632773688 ))) 6 0.1 0.1 peak 2315 volume 54.76733 ppm1 3.952 ppm2 1.782 ! ############### C13_CNnoesy_manual.2316 folded + assi (attr store1 < 1.415 and attr store1 > 1.315 ) ((attr store1 < 3.981 and attr store1 > 3.921 ) and (bondedto (attr store1 < 105.768722631 and attr store1 > 104.968722631 ) or bondedto (attr store1 < 58.026 and attr store1 > 57.226 ) or bondedto (attr store1 < 10.2832773688 and attr store1 > 9.4832773688 ))) 6 0.1 0.1 peak 2316 volume 45.30517 ppm1 3.951 ppm2 1.365 ! ############### C13_CNnoesy_manual.2317 folded + assi (attr store1 < 1.245 and attr store1 > 1.145 ) ((attr store1 < 3.982 and attr store1 > 3.922 ) and (bondedto (attr store1 < 105.753722631 and attr store1 > 104.953722631 ) or bondedto (attr store1 < 58.011 and attr store1 > 57.211 ) or bondedto (attr store1 < 10.2682773688 and attr store1 > 9.4682773688 ))) 6 0.1 0.1 peak 2317 volume 48.27785 ppm1 3.952 ppm2 1.195 ! ############### C13_CNnoesy_manual.2318 folded + assi (attr store1 < 1.078 and attr store1 > 0.978 ) ((attr store1 < 3.981 and attr store1 > 3.921 ) and (bondedto (attr store1 < 105.751722631 and attr store1 > 104.951722631 ) or bondedto (attr store1 < 58.009 and attr store1 > 57.209 ) or bondedto (attr store1 < 10.2662773688 and attr store1 > 9.4662773688 ))) 6 0.1 0.1 peak 2318 volume 29.68461 ppm1 3.951 ppm2 1.028 ! ############### C13_CNnoesy_manual.2319 folded + assi (attr store1 < 0.931 and attr store1 > 0.831 ) ((attr store1 < 3.982 and attr store1 > 3.922 ) and (bondedto (attr store1 < 105.750722631 and attr store1 > 104.950722631 ) or bondedto (attr store1 < 58.008 and attr store1 > 57.208 ) or bondedto (attr store1 < 10.2652773688 and attr store1 > 9.4652773688 ))) 6 0.1 0.1 peak 2319 volume 92.04441 ppm1 3.952 ppm2 0.881 ! ############### C13_CNnoesy_manual.2320 folded + assi (attr store1 < 8.081 and attr store1 > 7.981 ) ((attr store1 < 4.356 and attr store1 > 4.296 ) and (bondedto (attr store1 < 105.638722631 and attr store1 > 104.838722631 ) or bondedto (attr store1 < 57.896 and attr store1 > 57.096 ) or bondedto (attr store1 < 10.1532773688 and attr store1 > 9.3532773688 ))) 6 0.1 0.1 peak 2320 volume 21.03765 ppm1 4.326 ppm2 8.031 ! ############### C13_CNnoesy_manual.2321 folded + assi (attr store1 < 7.728 and attr store1 > 7.628 ) ((attr store1 < 4.358 and attr store1 > 4.298 ) and (bondedto (attr store1 < 105.643722631 and attr store1 > 104.843722631 ) or bondedto (attr store1 < 57.901 and attr store1 > 57.101 ) or bondedto (attr store1 < 10.1582773688 and attr store1 > 9.3582773688 ))) 6 0.1 0.1 peak 2321 volume 28.27823 ppm1 4.328 ppm2 7.678 ! ############### C13_CNnoesy_manual.2322 folded + assi (attr store1 < 2.411 and attr store1 > 2.311 ) ((attr store1 < 4.361 and attr store1 > 4.301 ) and (bondedto (attr store1 < 105.643722631 and attr store1 > 104.843722631 ) or bondedto (attr store1 < 57.901 and attr store1 > 57.101 ) or bondedto (attr store1 < 10.1582773688 and attr store1 > 9.3582773688 ))) 6 0.1 0.1 peak 2322 volume 57.61031 ppm1 4.331 ppm2 2.361 ! ############### C13_CNnoesy_manual.2323 folded + assi (attr store1 < 2.23 and attr store1 > 2.13 ) ((attr store1 < 4.359 and attr store1 > 4.299 ) and (bondedto (attr store1 < 105.647722631 and attr store1 > 104.847722631 ) or bondedto (attr store1 < 57.905 and attr store1 > 57.105 ) or bondedto (attr store1 < 10.1622773688 and attr store1 > 9.3622773688 ))) 6 0.1 0.1 peak 2323 volume 89.98718 ppm1 4.329 ppm2 2.180 ! ############### C13_CNnoesy_manual.2324 folded + assi (attr store1 < 8.459 and attr store1 > 8.359 ) ((attr store1 < 4.345 and attr store1 > 4.285 ) and (bondedto (attr store1 < 105.660722631 and attr store1 > 104.860722631 ) or bondedto (attr store1 < 57.918 and attr store1 > 57.118 ) or bondedto (attr store1 < 10.1752773688 and attr store1 > 9.3752773688 ))) 6 0.1 0.1 peak 2324 volume 15.13523 ppm1 4.315 ppm2 8.409 ! ############### C13_CNnoesy_manual.2325 folded + assi (attr store1 < 4.362 and attr store1 > 4.262 ) ((attr store1 < 4.348 and attr store1 > 4.288 ) and (bondedto (attr store1 < 105.697722631 and attr store1 > 104.897722631 ) or bondedto (attr store1 < 57.955 and attr store1 > 57.155 ) or bondedto (attr store1 < 10.2122773688 and attr store1 > 9.4122773688 ))) 6 0.1 0.1 peak 2325 volume 884.03174 ppm1 4.318 ppm2 4.312 ! ############### C13_CNnoesy_manual.2326 folded + assi (attr store1 < 1.915 and attr store1 > 1.815 ) ((attr store1 < 4.346 and attr store1 > 4.286 ) and (bondedto (attr store1 < 105.664722631 and attr store1 > 104.864722631 ) or bondedto (attr store1 < 57.922 and attr store1 > 57.122 ) or bondedto (attr store1 < 10.1792773688 and attr store1 > 9.3792773688 ))) 6 0.1 0.1 peak 2326 volume 105.73135 ppm1 4.316 ppm2 1.865 ! ############### C13_CNnoesy_manual.2327 folded + assi (attr store1 < 4.34 and attr store1 > 4.24 ) ((attr store1 < 4.322 and attr store1 > 4.262 ) and (bondedto (attr store1 < 105.701722631 and attr store1 > 104.901722631 ) or bondedto (attr store1 < 57.959 and attr store1 > 57.159 ) or bondedto (attr store1 < 10.2162773688 and attr store1 > 9.4162773688 ))) 6 0.1 0.1 peak 2327 volume 819.41150 ppm1 4.292 ppm2 4.290 ! ############### C13_CNnoesy_manual.2328 folded + assi (attr store1 < 8.589 and attr store1 > 8.489 ) ((attr store1 < 3.98 and attr store1 > 3.92 ) and (bondedto (attr store1 < 105.690722631 and attr store1 > 104.890722631 ) or bondedto (attr store1 < 57.948 and attr store1 > 57.148 ) or bondedto (attr store1 < 10.2052773688 and attr store1 > 9.4052773688 ))) 6 0.1 0.1 peak 2328 volume 9.67280 ppm1 3.950 ppm2 8.539 ! ############### C13_CNnoesy_manual.2329 folded + assi (attr store1 < 3.147 and attr store1 > 3.047 ) ((attr store1 < 4.359 and attr store1 > 4.299 ) and (bondedto (attr store1 < 105.583722631 and attr store1 > 104.783722631 ) or bondedto (attr store1 < 57.841 and attr store1 > 57.041 ) or bondedto (attr store1 < 10.0982773688 and attr store1 > 9.2982773688 ))) 6 0.1 0.1 peak 2329 volume 8.27636 ppm1 4.329 ppm2 3.097 ! ############### C13_CNnoesy_manual.2330 folded - assi (attr store1 < 4.462 and attr store1 > 4.362 ) ((attr store1 < 1.964 and attr store1 > 1.904 ) and (bondedto (attr store1 < 129.158083947 and attr store1 > 128.358083947 ) or bondedto (attr store1 < 33.6726386844 and attr store1 > 32.8726386844 ))) 6 0.1 0.1 peak 2330 volume 31.14993 ppm1 1.934 ppm2 4.412 ! ############### C13_CNnoesy_manual.2331 folded - assi (attr store1 < 1.948 and attr store1 > 1.848 ) ((attr store1 < 1.953 and attr store1 > 1.893 ) and (bondedto (attr store1 < 129.155083947 and attr store1 > 128.355083947 ) or bondedto (attr store1 < 33.6696386844 and attr store1 > 32.8696386844 ))) 6 0.1 0.1 peak 2331 volume 1847.0824 ppm1 1.923 ppm2 1.898 ! ############### C13_CNnoesy_manual.2332 folded - assi (attr store1 < 4.459 and attr store1 > 4.359 ) ((attr store1 < 1.861 and attr store1 > 1.801 ) and (bondedto (attr store1 < 129.120083947 and attr store1 > 128.320083947 ) or bondedto (attr store1 < 33.6346386844 and attr store1 > 32.8346386844 ))) 6 0.1 0.1 peak 2332 volume 26.91328 ppm1 1.831 ppm2 4.409 ! ############### C13_CNnoesy_manual.2333 folded - assi (attr store1 < 1.907 and attr store1 > 1.807 ) ((attr store1 < 1.863 and attr store1 > 1.803 ) and (bondedto (attr store1 < 129.149083947 and attr store1 > 128.349083947 ) or bondedto (attr store1 < 33.6636386844 and attr store1 > 32.8636386844 ))) 6 0.1 0.1 peak 2333 volume 1832.36816 ppm1 1.833 ppm2 1.857 ! ############### C13_CNnoesy_manual.2334 folded - assi (attr store1 < 1.583 and attr store1 > 1.483 ) ((attr store1 < 1.861 and attr store1 > 1.801 ) and (bondedto (attr store1 < 129.127083947 and attr store1 > 128.327083947 ) or bondedto (attr store1 < 33.6416386844 and attr store1 > 32.8416386844 ))) 6 0.1 0.1 peak 2334 volume 104.30054 ppm1 1.831 ppm2 1.533 ! ############### C13_CNnoesy_manual.2335 folded - assi (attr store1 < 1.586 and attr store1 > 1.486 ) ((attr store1 < 1.96 and attr store1 > 1.9 ) and (bondedto (attr store1 < 129.099083947 and attr store1 > 128.299083947 ) or bondedto (attr store1 < 33.6136386844 and attr store1 > 32.8136386844 ))) 6 0.1 0.1 peak 2335 volume 111.73344 ppm1 1.930 ppm2 1.536 ! ############### C13_CNnoesy_manual.2336 folded + assi (attr store1 < 9.585 and attr store1 > 9.485 ) ((attr store1 < 5.025 and attr store1 > 4.965 ) and (bondedto (attr store1 < 105.015722631 and attr store1 > 104.215722631 ) or bondedto (attr store1 < 57.273 and attr store1 > 56.473 ) or bondedto (attr store1 < 9.5302773688 and attr store1 > 8.7302773688 ))) 6 0.1 0.1 peak 2336 volume 8.85729 ppm1 4.995 ppm2 9.535 ! ############### C13_CNnoesy_manual.2337 folded + assi (attr store1 < 7.676 and attr store1 > 7.576 ) ((attr store1 < 5.015 and attr store1 > 4.955 ) and (bondedto (attr store1 < 105.028722631 and attr store1 > 104.228722631 ) or bondedto (attr store1 < 57.286 and attr store1 > 56.486 ) or bondedto (attr store1 < 9.5432773688 and attr store1 > 8.7432773688 ))) 6 0.1 0.1 peak 2337 volume 13.78524 ppm1 4.985 ppm2 7.626 ! ############### C13_CNnoesy_manual.2338 folded + assi (attr store1 < 5.035 and attr store1 > 4.935 ) ((attr store1 < 5.016 and attr store1 > 4.956 ) and (bondedto (attr store1 < 105.055722631 and attr store1 > 104.255722631 ) or bondedto (attr store1 < 57.313 and attr store1 > 56.513 ) or bondedto (attr store1 < 9.5702773688 and attr store1 > 8.7702773688 ))) 6 0.1 0.1 peak 2338 volume 310.47430 ppm1 4.986 ppm2 4.985 ! ############### C13_CNnoesy_manual.2339 folded + assi (attr store1 < 0.797 and attr store1 > 0.697 ) ((attr store1 < 5.015 and attr store1 > 4.955 ) and (bondedto (attr store1 < 105.021722631 and attr store1 > 104.221722631 ) or bondedto (attr store1 < 57.279 and attr store1 > 56.479 ) or bondedto (attr store1 < 9.5362773688 and attr store1 > 8.7362773688 ))) 6 0.1 0.1 peak 2339 volume 21.86717 ppm1 4.985 ppm2 0.747 ! ############### C13_CNnoesy_manual.2340 folded + assi (attr store1 < 0.982 and attr store1 > 0.882 ) ((attr store1 < 4.308 and attr store1 > 4.248 ) and (bondedto (attr store1 < 105.017722631 and attr store1 > 104.217722631 ) or bondedto (attr store1 < 57.275 and attr store1 > 56.475 ) or bondedto (attr store1 < 9.5322773688 and attr store1 > 8.7322773688 ))) 6 0.1 0.1 peak 2340 volume 28.56221 ppm1 4.278 ppm2 0.932 ! ############### C13_CNnoesy_manual.2341 folded + assi (attr store1 < 4.316 and attr store1 > 4.216 ) ((attr store1 < 4.298 and attr store1 > 4.238 ) and (bondedto (attr store1 < 104.986722631 and attr store1 > 104.186722631 ) or bondedto (attr store1 < 57.244 and attr store1 > 56.444 ) or bondedto (attr store1 < 9.5012773688 and attr store1 > 8.7012773688 ))) 6 0.1 0.1 peak 2341 volume 2326.58545 ppm1 4.268 ppm2 4.266 ! ############### C13_CNnoesy_manual.2342 folded + assi (attr store1 < 1.708 and attr store1 > 1.608 ) ((attr store1 < 4.3 and attr store1 > 4.24 ) and (bondedto (attr store1 < 105.012722631 and attr store1 > 104.212722631 ) or bondedto (attr store1 < 57.27 and attr store1 > 56.47 ) or bondedto (attr store1 < 9.5272773688 and attr store1 > 8.7272773688 ))) 6 0.1 0.1 peak 2342 volume 33.97993 ppm1 4.270 ppm2 1.658 ! ############### C13_CNnoesy_manual.2343 folded - assi (attr store1 < 8.706 and attr store1 > 8.606 ) ((attr store1 < 2.09 and attr store1 > 2.03 ) and (bondedto (attr store1 < 128.891083947 and attr store1 > 128.091083947 ) or bondedto (attr store1 < 33.4056386844 and attr store1 > 32.6056386844 ))) 6 0.1 0.1 peak 2343 volume 21.48629 ppm1 2.060 ppm2 8.656 ! ############### C13_CNnoesy_manual.2344 folded - assi (attr store1 < 4.508 and attr store1 > 4.408 ) ((attr store1 < 2.09 and attr store1 > 2.03 ) and (bondedto (attr store1 < 128.837083947 and attr store1 > 128.037083947 ) or bondedto (attr store1 < 33.3516386844 and attr store1 > 32.5516386844 ))) 6 0.1 0.1 peak 2344 volume 12.70256 ppm1 2.060 ppm2 4.458 ! ############### C13_CNnoesy_manual.2345 folded - assi (attr store1 < 1.818 and attr store1 > 1.718 ) ((attr store1 < 2.013 and attr store1 > 1.953 ) and (bondedto (attr store1 < 128.835083947 and attr store1 > 128.035083947 ) or bondedto (attr store1 < 33.3496386844 and attr store1 > 32.5496386844 ))) 6 0.1 0.1 peak 2345 volume 216.86638 ppm1 1.983 ppm2 1.768 ! ############### C13_CNnoesy_manual.2346 folded - assi (attr store1 < 8.698 and attr store1 > 8.598 ) ((attr store1 < 1.994 and attr store1 > 1.934 ) and (bondedto (attr store1 < 128.916083947 and attr store1 > 128.116083947 ) or bondedto (attr store1 < 33.4306386844 and attr store1 > 32.6306386844 ))) 6 0.1 0.1 peak 2346 volume 19.88826 ppm1 1.964 ppm2 8.648 ! ############### C13_CNnoesy_manual.2347 folded - assi (attr store1 < 2.205 and attr store1 > 2.105 ) ((attr store1 < 2.187 and attr store1 > 2.127 ) and (bondedto (attr store1 < 128.818083947 and attr store1 > 128.018083947 ) or bondedto (attr store1 < 33.3326386844 and attr store1 > 32.5326386844 ))) 6 0.1 0.1 peak 2347 volume 193.78407 ppm1 2.157 ppm2 2.155 ! ############### C13_CNnoesy_manual.2348 folded - assi (attr store1 < 3.162 and attr store1 > 3.062 ) ((attr store1 < 2.013 and attr store1 > 1.953 ) and (bondedto (attr store1 < 128.799083947 and attr store1 > 127.999083947 ) or bondedto (attr store1 < 33.3136386844 and attr store1 > 32.5136386844 ))) 6 0.1 0.1 peak 2348 volume 11.12557 ppm1 1.983 ppm2 3.112 ! ############### C13_CNnoesy_manual.2349 folded - assi (attr store1 < 2.037 and attr store1 > 1.937 ) ((attr store1 < 2.016 and attr store1 > 1.956 ) and (bondedto (attr store1 < 128.804083947 and attr store1 > 128.004083947 ) or bondedto (attr store1 < 33.3186386844 and attr store1 > 32.5186386844 ))) 6 0.1 0.1 peak 2349 volume 1514.20142 ppm1 1.986 ppm2 1.987 ! ############### C13_CNnoesy_manual.2350 folded + assi (attr store1 < 8.065 and attr store1 > 7.965 ) ((attr store1 < 4.498 and attr store1 > 4.438 ) and (bondedto (attr store1 < 104.785722631 and attr store1 > 103.985722631 ) or bondedto (attr store1 < 57.043 and attr store1 > 56.243 ) or bondedto (attr store1 < 9.3002773688 and attr store1 > 8.5002773688 ))) 6 0.1 0.1 peak 2350 volume 46.99709 ppm1 4.468 ppm2 8.015 ! ############### C13_CNnoesy_manual.2351 folded + assi (attr store1 < 2.979 and attr store1 > 2.879 ) ((attr store1 < 4.499 and attr store1 > 4.439 ) and (bondedto (attr store1 < 104.777722631 and attr store1 > 103.977722631 ) or bondedto (attr store1 < 57.035 and attr store1 > 56.235 ) or bondedto (attr store1 < 9.2922773688 and attr store1 > 8.4922773688 ))) 6 0.1 0.1 peak 2351 volume 99.12159 ppm1 4.469 ppm2 2.929 ! ############### C13_CNnoesy_manual.2352 folded + assi (attr store1 < 2.095 and attr store1 > 1.995 ) ((attr store1 < 4.501 and attr store1 > 4.441 ) and (bondedto (attr store1 < 104.782722631 and attr store1 > 103.982722631 ) or bondedto (attr store1 < 57.04 and attr store1 > 56.24 ) or bondedto (attr store1 < 9.2972773688 and attr store1 > 8.4972773688 ))) 6 0.1 0.1 peak 2352 volume 44.46591 ppm1 4.471 ppm2 2.045 ! ############### C13_CNnoesy_manual.2353 folded + assi (attr store1 < 1.846 and attr store1 > 1.746 ) ((attr store1 < 4.5 and attr store1 > 4.44 ) and (bondedto (attr store1 < 104.799722631 and attr store1 > 103.999722631 ) or bondedto (attr store1 < 57.057 and attr store1 > 56.257 ) or bondedto (attr store1 < 9.3142773688 and attr store1 > 8.5142773688 ))) 6 0.1 0.1 peak 2353 volume 34.20623 ppm1 4.470 ppm2 1.796 ! ############### C13_CNnoesy_manual.2354 folded + assi (attr store1 < 1.571 and attr store1 > 1.471 ) ((attr store1 < 4.499 and attr store1 > 4.439 ) and (bondedto (attr store1 < 104.787722631 and attr store1 > 103.987722631 ) or bondedto (attr store1 < 57.045 and attr store1 > 56.245 ) or bondedto (attr store1 < 9.3022773688 and attr store1 > 8.5022773688 ))) 6 0.1 0.1 peak 2354 volume 12.83961 ppm1 4.469 ppm2 1.521 ! ############### C13_CNnoesy_manual.2355 folded + assi (attr store1 < 7.853 and attr store1 > 7.753 ) ((attr store1 < 4.414 and attr store1 > 4.354 ) and (bondedto (attr store1 < 104.803722631 and attr store1 > 104.003722631 ) or bondedto (attr store1 < 57.061 and attr store1 > 56.261 ) or bondedto (attr store1 < 9.3182773688 and attr store1 > 8.5182773688 ))) 6 0.1 0.1 peak 2355 volume 19.49683 ppm1 4.384 ppm2 7.803 ! ############### C13_CNnoesy_manual.2356 folded - assi (attr store1 < 1.589 and attr store1 > 1.489 ) ((attr store1 < 2.155 and attr store1 > 2.095 ) and (bondedto (attr store1 < 128.664083947 and attr store1 > 127.864083947 ) or bondedto (attr store1 < 33.1786386844 and attr store1 > 32.3786386844 ))) 6 0.1 0.1 peak 2356 volume 9.06647 ppm1 2.125 ppm2 1.539 ! ############### C13_CNnoesy_manual.2357 folded - assi (attr store1 < 7.057 and attr store1 > 6.957 ) ((attr store1 < 2.126 and attr store1 > 2.066 ) and (bondedto (attr store1 < 128.680083947 and attr store1 > 127.880083947 ) or bondedto (attr store1 < 33.1946386844 and attr store1 > 32.3946386844 ))) 6 0.1 0.1 peak 2357 volume 25.32017 ppm1 2.096 ppm2 7.007 ! ############### C13_CNnoesy_manual.2358 folded - assi (attr store1 < 4.36 and attr store1 > 4.26 ) ((attr store1 < 2.126 and attr store1 > 2.066 ) and (bondedto (attr store1 < 128.683083947 and attr store1 > 127.883083947 ) or bondedto (attr store1 < 33.1976386844 and attr store1 > 32.3976386844 ))) 6 0.1 0.1 peak 2358 volume 26.40112 ppm1 2.096 ppm2 4.310 ! ############### C13_CNnoesy_manual.2359 folded - assi (attr store1 < 1.739 and attr store1 > 1.639 ) ((attr store1 < 2.119 and attr store1 > 2.059 ) and (bondedto (attr store1 < 128.674083947 and attr store1 > 127.874083947 ) or bondedto (attr store1 < 33.1886386844 and attr store1 > 32.3886386844 ))) 6 0.1 0.1 peak 2359 volume 52.32137 ppm1 2.089 ppm2 1.689 ! ############### C13_CNnoesy_manual.2360 folded - assi (attr store1 < 1.089 and attr store1 > 0.989 ) ((attr store1 < 2.124 and attr store1 > 2.064 ) and (bondedto (attr store1 < 128.687083947 and attr store1 > 127.887083947 ) or bondedto (attr store1 < 33.2016386844 and attr store1 > 32.4016386844 ))) 6 0.1 0.1 peak 2360 volume 20.54351 ppm1 2.094 ppm2 1.039 ! ############### C13_CNnoesy_manual.2361 folded - assi (attr store1 < 8.234 and attr store1 > 8.134 ) ((attr store1 < 2.016 and attr store1 > 1.956 ) and (bondedto (attr store1 < 128.685083947 and attr store1 > 127.885083947 ) or bondedto (attr store1 < 33.1996386844 and attr store1 > 32.3996386844 ))) 6 0.1 0.1 peak 2361 volume 13.54798 ppm1 1.986 ppm2 8.184 ! ############### C13_CNnoesy_manual.2362 folded - assi (attr store1 < 4.35 and attr store1 > 4.25 ) ((attr store1 < 2.014 and attr store1 > 1.954 ) and (bondedto (attr store1 < 128.682083947 and attr store1 > 127.882083947 ) or bondedto (attr store1 < 33.1966386844 and attr store1 > 32.3966386844 ))) 6 0.1 0.1 peak 2362 volume 41.77851 ppm1 1.984 ppm2 4.300 ! ############### C13_CNnoesy_manual.2363 folded - assi (attr store1 < 1.451 and attr store1 > 1.351 ) ((attr store1 < 2.003 and attr store1 > 1.943 ) and (bondedto (attr store1 < 128.730083947 and attr store1 > 127.930083947 ) or bondedto (attr store1 < 33.2446386844 and attr store1 > 32.4446386844 ))) 6 0.1 0.1 peak 2363 volume 16.26066 ppm1 1.973 ppm2 1.401 ! ############### C13_CNnoesy_manual.2364 folded + assi (attr store1 < 8.722 and attr store1 > 8.622 ) ((attr store1 < 4.503 and attr store1 > 4.443 ) and (bondedto (attr store1 < 104.759722631 and attr store1 > 103.959722631 ) or bondedto (attr store1 < 57.017 and attr store1 > 56.217 ) or bondedto (attr store1 < 9.2742773688 and attr store1 > 8.4742773688 ))) 6 0.1 0.1 peak 2364 volume 20.66362 ppm1 4.473 ppm2 8.672 ! ############### C13_CNnoesy_manual.2365 folded + assi (attr store1 < 1.105 and attr store1 > 1.005 ) ((attr store1 < 4.503 and attr store1 > 4.443 ) and (bondedto (attr store1 < 104.759722631 and attr store1 > 103.959722631 ) or bondedto (attr store1 < 57.017 and attr store1 > 56.217 ) or bondedto (attr store1 < 9.2742773688 and attr store1 > 8.4742773688 ))) 6 0.1 0.1 peak 2365 volume 18.08253 ppm1 4.473 ppm2 1.055 ! ############### C13_CNnoesy_manual.2366 folded + assi (attr store1 < 8.454 and attr store1 > 8.354 ) ((attr store1 < 4.491 and attr store1 > 4.431 ) and (bondedto (attr store1 < 104.721722631 and attr store1 > 103.921722631 ) or bondedto (attr store1 < 56.979 and attr store1 > 56.179 ) or bondedto (attr store1 < 9.2362773688 and attr store1 > 8.4362773688 ))) 6 0.1 0.1 peak 2366 volume 6.76319 ppm1 4.461 ppm2 8.404 ! ############### C13_CNnoesy_manual.2367 folded + assi (attr store1 < 3.986 and attr store1 > 3.886 ) ((attr store1 < 4.412 and attr store1 > 4.352 ) and (bondedto (attr store1 < 104.692722631 and attr store1 > 103.892722631 ) or bondedto (attr store1 < 56.95 and attr store1 > 56.15 ) or bondedto (attr store1 < 9.2072773688 and attr store1 > 8.4072773688 ))) 6 0.1 0.1 peak 2367 volume 9.42043 ppm1 4.382 ppm2 3.936 ! ############### C13_CNnoesy_manual.2368 folded + assi (attr store1 < 2.656 and attr store1 > 2.556 ) ((attr store1 < 4.416 and attr store1 > 4.356 ) and (bondedto (attr store1 < 104.760722631 and attr store1 > 103.960722631 ) or bondedto (attr store1 < 57.018 and attr store1 > 56.218 ) or bondedto (attr store1 < 9.2752773688 and attr store1 > 8.4752773688 ))) 6 0.1 0.1 peak 2368 volume 55.60412 ppm1 4.386 ppm2 2.606 ! ############### C13_CNnoesy_manual.2369 folded + assi (attr store1 < 2.441 and attr store1 > 2.341 ) ((attr store1 < 4.412 and attr store1 > 4.352 ) and (bondedto (attr store1 < 104.759722631 and attr store1 > 103.959722631 ) or bondedto (attr store1 < 57.017 and attr store1 > 56.217 ) or bondedto (attr store1 < 9.2742773688 and attr store1 > 8.4742773688 ))) 6 0.1 0.1 peak 2369 volume 52.23919 ppm1 4.382 ppm2 2.391 ! ############### C13_CNnoesy_manual.2370 folded + assi (attr store1 < 2.306 and attr store1 > 2.206 ) ((attr store1 < 4.416 and attr store1 > 4.356 ) and (bondedto (attr store1 < 104.756722631 and attr store1 > 103.956722631 ) or bondedto (attr store1 < 57.014 and attr store1 > 56.214 ) or bondedto (attr store1 < 9.2712773688 and attr store1 > 8.4712773688 ))) 6 0.1 0.1 peak 2370 volume 42.01829 ppm1 4.386 ppm2 2.256 ! ############### C13_CNnoesy_manual.2371 folded + assi (attr store1 < 1.099 and attr store1 > 0.999 ) ((attr store1 < 4.417 and attr store1 > 4.357 ) and (bondedto (attr store1 < 104.754722631 and attr store1 > 103.954722631 ) or bondedto (attr store1 < 57.012 and attr store1 > 56.212 ) or bondedto (attr store1 < 9.2692773688 and attr store1 > 8.4692773688 ))) 6 0.1 0.1 peak 2371 volume 12.83658 ppm1 4.387 ppm2 1.049 ! ############### C13_CNnoesy_manual.2372 folded - assi (attr store1 < 8.234 and attr store1 > 8.134 ) ((attr store1 < 2.131 and attr store1 > 2.071 ) and (bondedto (attr store1 < 128.632083947 and attr store1 > 127.832083947 ) or bondedto (attr store1 < 33.1466386844 and attr store1 > 32.3466386844 ))) 6 0.1 0.1 peak 2372 volume 11.72849 ppm1 2.101 ppm2 8.184 ! ############### C13_CNnoesy_manual.2373 folded - assi (attr store1 < 1.272 and attr store1 > 1.172 ) ((attr store1 < 2.121 and attr store1 > 2.061 ) and (bondedto (attr store1 < 128.598083947 and attr store1 > 127.798083947 ) or bondedto (attr store1 < 33.1126386844 and attr store1 > 32.3126386844 ))) 6 0.1 0.1 peak 2373 volume 6.57058 ppm1 2.091 ppm2 1.222 ! ############### C13_CNnoesy_manual.2374 folded - assi (attr store1 < 0.941 and attr store1 > 0.841 ) ((attr store1 < 2.123 and attr store1 > 2.063 ) and (bondedto (attr store1 < 128.610083947 and attr store1 > 127.810083947 ) or bondedto (attr store1 < 33.1246386844 and attr store1 > 32.3246386844 ))) 6 0.1 0.1 peak 2374 volume 23.58805 ppm1 2.093 ppm2 0.891 ! ############### C13_CNnoesy_manual.2375 folded - assi (attr store1 < 1.833 and attr store1 > 1.733 ) ((attr store1 < 2.049 and attr store1 > 1.989 ) and (bondedto (attr store1 < 128.586083947 and attr store1 > 127.786083947 ) or bondedto (attr store1 < 33.1006386844 and attr store1 > 32.3006386844 ))) 6 0.1 0.1 peak 2375 volume 193.02341 ppm1 2.019 ppm2 1.783 ! ############### C13_CNnoesy_manual.2376 folded - assi (attr store1 < 7.058 and attr store1 > 6.958 ) ((attr store1 < 2.014 and attr store1 > 1.954 ) and (bondedto (attr store1 < 128.640083947 and attr store1 > 127.840083947 ) or bondedto (attr store1 < 33.1546386844 and attr store1 > 32.3546386844 ))) 6 0.1 0.1 peak 2376 volume 23.25868 ppm1 1.984 ppm2 7.008 ! ############### C13_CNnoesy_manual.2377 folded + assi (attr store1 < 4.064 and attr store1 > 3.964 ) ((attr store1 < 4.417 and attr store1 > 4.357 ) and (bondedto (attr store1 < 104.642722631 and attr store1 > 103.842722631 ) or bondedto (attr store1 < 56.9 and attr store1 > 56.1 ) or bondedto (attr store1 < 9.1572773688 and attr store1 > 8.3572773688 ))) 6 0.1 0.1 peak 2377 volume 12.06859 ppm1 4.387 ppm2 4.014 ! ############### C13_CNnoesy_manual.2378 folded - assi (attr store1 < 8.464 and attr store1 > 8.364 ) ((attr store1 < 2.055 and attr store1 > 1.995 ) and (bondedto (attr store1 < 128.551083947 and attr store1 > 127.751083947 ) or bondedto (attr store1 < 33.0656386844 and attr store1 > 32.2656386844 ))) 6 0.1 0.1 peak 2378 volume 50.34026 ppm1 2.025 ppm2 8.414 ! ############### C13_CNnoesy_manual.2379 folded - assi (attr store1 < 4.201 and attr store1 > 4.101 ) ((attr store1 < 2.043 and attr store1 > 1.983 ) and (bondedto (attr store1 < 128.509083947 and attr store1 > 127.709083947 ) or bondedto (attr store1 < 33.0236386844 and attr store1 > 32.2236386844 ))) 6 0.1 0.1 peak 2379 volume 99.8027 ppm1 2.013 ppm2 4.151 ! ############### C13_CNnoesy_manual.2380 folded - assi (attr store1 < 3.094 and attr store1 > 2.994 ) ((attr store1 < 2.042 and attr store1 > 1.982 ) and (bondedto (attr store1 < 128.497083947 and attr store1 > 127.697083947 ) or bondedto (attr store1 < 33.0116386844 and attr store1 > 32.2116386844 ))) 6 0.1 0.1 peak 2380 volume 15.32588 ppm1 2.012 ppm2 3.044 ! ############### C13_CNnoesy_manual.2381 folded - assi (attr store1 < 2.069 and attr store1 > 1.969 ) ((attr store1 < 1.794 and attr store1 > 1.734 ) and (bondedto (attr store1 < 128.514083947 and attr store1 > 127.714083947 ) or bondedto (attr store1 < 33.0286386844 and attr store1 > 32.2286386844 ))) 6 0.1 0.1 peak 2381 volume 27.3418 ppm1 1.764 ppm2 2.019 ! ############### C13_CNnoesy_manual.2382 folded + assi (attr store1 < 4.446 and attr store1 > 4.346 ) ((attr store1 < 4.426 and attr store1 > 4.366 ) and (bondedto (attr store1 < 104.499722631 and attr store1 > 103.699722631 ) or bondedto (attr store1 < 56.757 and attr store1 > 55.957 ) or bondedto (attr store1 < 9.0142773688 and attr store1 > 8.2142773688 ))) 6 0.1 0.1 peak 2382 volume 4984.46875 ppm1 4.396 ppm2 4.396 ! ############### C13_CNnoesy_manual.2383 folded - assi (attr store1 < 4.18 and attr store1 > 4.08 ) ((attr store1 < 2.013 and attr store1 > 1.953 ) and (bondedto (attr store1 < 128.409083947 and attr store1 > 127.609083947 ) or bondedto (attr store1 < 32.9236386844 and attr store1 > 32.1236386844 ))) 6 0.1 0.1 peak 2383 volume 111.6269 ppm1 1.983 ppm2 4.130 ! ############### C13_CNnoesy_manual.2384 folded - assi (attr store1 < 3.793 and attr store1 > 3.693 ) ((attr store1 < 2.016 and attr store1 > 1.956 ) and (bondedto (attr store1 < 128.378083947 and attr store1 > 127.578083947 ) or bondedto (attr store1 < 32.8926386844 and attr store1 > 32.0926386844 ))) 6 0.1 0.1 peak 2384 volume 22.9017 ppm1 1.986 ppm2 3.743 ! ############### C13_CNnoesy_manual.2385 folded - assi (attr store1 < 1.446 and attr store1 > 1.346 ) ((attr store1 < 2.018 and attr store1 > 1.958 ) and (bondedto (attr store1 < 128.384083947 and attr store1 > 127.584083947 ) or bondedto (attr store1 < 32.8986386844 and attr store1 > 32.0986386844 ))) 6 0.1 0.1 peak 2385 volume 18.30042 ppm1 1.988 ppm2 1.396 ! ############### C13_CNnoesy_manual.2386 folded - assi (attr store1 < 1.265 and attr store1 > 1.165 ) ((attr store1 < 2.014 and attr store1 > 1.954 ) and (bondedto (attr store1 < 128.436083947 and attr store1 > 127.636083947 ) or bondedto (attr store1 < 32.9506386844 and attr store1 > 32.1506386844 ))) 6 0.1 0.1 peak 2386 volume 15.85491 ppm1 1.984 ppm2 1.215 ! ############### C13_CNnoesy_manual.2387 folded - assi (attr store1 < 1.089 and attr store1 > 0.989 ) ((attr store1 < 2.02 and attr store1 > 1.96 ) and (bondedto (attr store1 < 128.418083947 and attr store1 > 127.618083947 ) or bondedto (attr store1 < 32.9326386844 and attr store1 > 32.1326386844 ))) 6 0.1 0.1 peak 2387 volume 39.06097 ppm1 1.990 ppm2 1.039 ! ############### C13_CNnoesy_manual.2388 folded - assi (attr store1 < 4.076 and attr store1 > 3.976 ) ((attr store1 < 1.861 and attr store1 > 1.801 ) and (bondedto (attr store1 < 128.374083947 and attr store1 > 127.574083947 ) or bondedto (attr store1 < 32.8886386844 and attr store1 > 32.0886386844 ))) 6 0.1 0.1 peak 2388 volume 29.4537 ppm1 1.831 ppm2 4.026 ! ############### C13_CNnoesy_manual.2389 folded + assi (attr store1 < 8.055 and attr store1 > 7.955 ) ((attr store1 < 4.454 and attr store1 > 4.394 ) and (bondedto (attr store1 < 104.422722631 and attr store1 > 103.622722631 ) or bondedto (attr store1 < 56.68 and attr store1 > 55.88 ) or bondedto (attr store1 < 8.9372773688 and attr store1 > 8.1372773688 ))) 6 0.1 0.1 peak 2389 volume 61.55024 ppm1 4.424 ppm2 8.005 ! ############### C13_CNnoesy_manual.2390 folded + assi (attr store1 < 1.569 and attr store1 > 1.469 ) ((attr store1 < 4.437 and attr store1 > 4.377 ) and (bondedto (attr store1 < 104.492722631 and attr store1 > 103.692722631 ) or bondedto (attr store1 < 56.75 and attr store1 > 55.95 ) or bondedto (attr store1 < 9.0072773688 and attr store1 > 8.2072773688 ))) 6 0.1 0.1 peak 2390 volume 32.93488 ppm1 4.407 ppm2 1.519 ! ############### C13_CNnoesy_manual.2391 folded + assi (attr store1 < 8.422 and attr store1 > 8.322 ) ((attr store1 < 4.422 and attr store1 > 4.362 ) and (bondedto (attr store1 < 104.472722631 and attr store1 > 103.672722631 ) or bondedto (attr store1 < 56.73 and attr store1 > 55.93 ) or bondedto (attr store1 < 8.9872773688 and attr store1 > 8.1872773688 ))) 6 0.1 0.1 peak 2391 volume 24.07681 ppm1 4.392 ppm2 8.372 ! ############### C13_CNnoesy_manual.2392 folded + assi (attr store1 < 1.95 and attr store1 > 1.85 ) ((attr store1 < 4.425 and attr store1 > 4.365 ) and (bondedto (attr store1 < 104.465722631 and attr store1 > 103.665722631 ) or bondedto (attr store1 < 56.723 and attr store1 > 55.923 ) or bondedto (attr store1 < 8.9802773688 and attr store1 > 8.1802773688 ))) 6 0.1 0.1 peak 2392 volume 116.22346 ppm1 4.395 ppm2 1.900 ! ############### C13_CNnoesy_manual.2393 folded + assi (attr store1 < 1.767 and attr store1 > 1.667 ) ((attr store1 < 4.423 and attr store1 > 4.363 ) and (bondedto (attr store1 < 104.446722631 and attr store1 > 103.646722631 ) or bondedto (attr store1 < 56.704 and attr store1 > 55.904 ) or bondedto (attr store1 < 8.9612773688 and attr store1 > 8.1612773688 ))) 6 0.1 0.1 peak 2393 volume 49.04289 ppm1 4.393 ppm2 1.717 ! ############### C13_CNnoesy_manual.2394 folded - assi (attr store1 < 7.859 and attr store1 > 7.759 ) ((attr store1 < 2.01 and attr store1 > 1.95 ) and (bondedto (attr store1 < 128.324083947 and attr store1 > 127.524083947 ) or bondedto (attr store1 < 32.8386386844 and attr store1 > 32.0386386844 ))) 6 0.1 0.1 peak 2394 volume 60.94062 ppm1 1.980 ppm2 7.809 ! ############### C13_CNnoesy_manual.2395 folded - assi (attr store1 < 1.826 and attr store1 > 1.726 ) ((attr store1 < 1.863 and attr store1 > 1.803 ) and (bondedto (attr store1 < 128.359083947 and attr store1 > 127.559083947 ) or bondedto (attr store1 < 32.8736386844 and attr store1 > 32.0736386844 ))) 6 0.1 0.1 peak 2395 volume 375.87534 ppm1 1.833 ppm2 1.776 ! ############### C13_CNnoesy_manual.2396 folded - assi (attr store1 < 1.334 and attr store1 > 1.234 ) ((attr store1 < 1.861 and attr store1 > 1.801 ) and (bondedto (attr store1 < 128.363083947 and attr store1 > 127.563083947 ) or bondedto (attr store1 < 32.8776386844 and attr store1 > 32.0776386844 ))) 6 0.1 0.1 peak 2396 volume 35.10003 ppm1 1.831 ppm2 1.284 ! ############### C13_CNnoesy_manual.2397 folded - assi (attr store1 < 1.844 and attr store1 > 1.744 ) ((attr store1 < 1.777 and attr store1 > 1.717 ) and (bondedto (attr store1 < 128.366083947 and attr store1 > 127.566083947 ) or bondedto (attr store1 < 32.8806386844 and attr store1 > 32.0806386844 ))) 6 0.1 0.1 peak 2397 volume 417.31683 ppm1 1.747 ppm2 1.794 ! ############### C13_CNnoesy_manual.2398 folded - assi (attr store1 < 1.346 and attr store1 > 1.246 ) ((attr store1 < 1.787 and attr store1 > 1.727 ) and (bondedto (attr store1 < 128.367083947 and attr store1 > 127.567083947 ) or bondedto (attr store1 < 32.8816386844 and attr store1 > 32.0816386844 ))) 6 0.1 0.1 peak 2398 volume 39.67259 ppm1 1.757 ppm2 1.296 ! ############### C13_CNnoesy_manual.2399 folded + assi (attr store1 < 4.325 and attr store1 > 4.225 ) ((attr store1 < 4.567 and attr store1 > 4.507 ) and (bondedto (attr store1 < 104.398722631 and attr store1 > 103.598722631 ) or bondedto (attr store1 < 56.656 and attr store1 > 55.856 ) or bondedto (attr store1 < 8.9132773688 and attr store1 > 8.1132773688 ))) 6 0.1 0.1 peak 2399 volume 7.03020 ppm1 4.537 ppm2 4.275 ! ############### C13_CNnoesy_manual.2400 folded + assi (attr store1 < 2.077 and attr store1 > 1.977 ) ((attr store1 < 4.565 and attr store1 > 4.505 ) and (bondedto (attr store1 < 104.329722631 and attr store1 > 103.529722631 ) or bondedto (attr store1 < 56.587 and attr store1 > 55.787 ) or bondedto (attr store1 < 8.8442773688 and attr store1 > 8.0442773688 ))) 6 0.1 0.1 peak 2400 volume 27.72959 ppm1 4.535 ppm2 2.027 ! ############### C13_CNnoesy_manual.2401 folded + assi (attr store1 < 3.338 and attr store1 > 3.238 ) ((attr store1 < 4.422 and attr store1 > 4.362 ) and (bondedto (attr store1 < 104.358722631 and attr store1 > 103.558722631 ) or bondedto (attr store1 < 56.616 and attr store1 > 55.816 ) or bondedto (attr store1 < 8.8732773688 and attr store1 > 8.0732773688 ))) 6 0.1 0.1 peak 2401 volume 8.73664 ppm1 4.392 ppm2 3.288 ! ############### C13_CNnoesy_manual.2402 folded + assi (attr store1 < 8.253 and attr store1 > 8.153 ) ((attr store1 < 4.204 and attr store1 > 4.144 ) and (bondedto (attr store1 < 104.367722631 and attr store1 > 103.567722631 ) or bondedto (attr store1 < 56.625 and attr store1 > 55.825 ) or bondedto (attr store1 < 8.8822773688 and attr store1 > 8.0822773688 ))) 6 0.1 0.1 peak 2402 volume 46.76515 ppm1 4.174 ppm2 8.203 ! ############### C13_CNnoesy_manual.2403 folded + assi (attr store1 < 7.303 and attr store1 > 7.203 ) ((attr store1 < 4.201 and attr store1 > 4.141 ) and (bondedto (attr store1 < 104.366722631 and attr store1 > 103.566722631 ) or bondedto (attr store1 < 56.624 and attr store1 > 55.824 ) or bondedto (attr store1 < 8.8812773688 and attr store1 > 8.0812773688 ))) 6 0.1 0.1 peak 2403 volume 10.09464 ppm1 4.171 ppm2 7.253 ! ############### C13_CNnoesy_manual.2404 folded + assi (attr store1 < 7.093 and attr store1 > 6.993 ) ((attr store1 < 4.202 and attr store1 > 4.142 ) and (bondedto (attr store1 < 104.354722631 and attr store1 > 103.554722631 ) or bondedto (attr store1 < 56.612 and attr store1 > 55.812 ) or bondedto (attr store1 < 8.8692773688 and attr store1 > 8.0692773688 ))) 6 0.1 0.1 peak 2404 volume 9.85993 ppm1 4.172 ppm2 7.043 ! ############### C13_CNnoesy_manual.2405 folded + assi (attr store1 < 4.064 and attr store1 > 3.964 ) ((attr store1 < 4.199 and attr store1 > 4.139 ) and (bondedto (attr store1 < 104.329722631 and attr store1 > 103.529722631 ) or bondedto (attr store1 < 56.587 and attr store1 > 55.787 ) or bondedto (attr store1 < 8.8442773688 and attr store1 > 8.0442773688 ))) 6 0.1 0.1 peak 2405 volume 24.69254 ppm1 4.169 ppm2 4.014 ! ############### C13_CNnoesy_manual.2406 folded + assi (attr store1 < 3.877 and attr store1 > 3.777 ) ((attr store1 < 4.205 and attr store1 > 4.145 ) and (bondedto (attr store1 < 104.351722631 and attr store1 > 103.551722631 ) or bondedto (attr store1 < 56.609 and attr store1 > 55.809 ) or bondedto (attr store1 < 8.8662773688 and attr store1 > 8.0662773688 ))) 6 0.1 0.1 peak 2406 volume 23.41937 ppm1 4.175 ppm2 3.827 ! ############### C13_CNnoesy_manual.2407 folded + assi (attr store1 < 3.411 and attr store1 > 3.311 ) ((attr store1 < 4.208 and attr store1 > 4.148 ) and (bondedto (attr store1 < 104.335722631 and attr store1 > 103.535722631 ) or bondedto (attr store1 < 56.593 and attr store1 > 55.793 ) or bondedto (attr store1 < 8.8502773688 and attr store1 > 8.0502773688 ))) 6 0.1 0.1 peak 2407 volume 13.44903 ppm1 4.178 ppm2 3.361 ! ############### C13_CNnoesy_manual.2408 folded + assi (attr store1 < 2.895 and attr store1 > 2.795 ) ((attr store1 < 4.206 and attr store1 > 4.146 ) and (bondedto (attr store1 < 104.344722631 and attr store1 > 103.544722631 ) or bondedto (attr store1 < 56.602 and attr store1 > 55.802 ) or bondedto (attr store1 < 8.8592773688 and attr store1 > 8.0592773688 ))) 6 0.1 0.1 peak 2408 volume 23.02592 ppm1 4.176 ppm2 2.845 ! ############### C13_CNnoesy_manual.2409 folded + assi (attr store1 < 1.655 and attr store1 > 1.555 ) ((attr store1 < 4.21 and attr store1 > 4.15 ) and (bondedto (attr store1 < 104.338722631 and attr store1 > 103.538722631 ) or bondedto (attr store1 < 56.596 and attr store1 > 55.796 ) or bondedto (attr store1 < 8.8532773688 and attr store1 > 8.0532773688 ))) 6 0.1 0.1 peak 2409 volume 129.91196 ppm1 4.180 ppm2 1.605 ! ############### C13_CNnoesy_manual.2410 folded - assi (attr store1 < 2.495 and attr store1 > 2.395 ) ((attr store1 < 4.595 and attr store1 > 4.535 ) and (bondedto (attr store1 < 128.190083947 and attr store1 > 127.390083947 ) or bondedto (attr store1 < 32.7046386844 and attr store1 > 31.9046386844 ))) 6 0.1 0.1 peak 2410 volume 103.89857 ppm1 4.565 ppm2 2.445 ! ############### C13_CNnoesy_manual.2411 folded - assi (attr store1 < 2.648 and attr store1 > 2.548 ) ((attr store1 < 2.624 and attr store1 > 2.564 ) and (bondedto (attr store1 < 128.208083947 and attr store1 > 127.408083947 ) or bondedto (attr store1 < 32.7226386844 and attr store1 > 31.9226386844 ))) 6 0.1 0.1 peak 2411 volume 181.94562 ppm1 2.594 ppm2 2.598 ! ############### C13_CNnoesy_manual.2412 folded - assi (attr store1 < 7.364 and attr store1 > 7.264 ) ((attr store1 < 2.3 and attr store1 > 2.24 ) and (bondedto (attr store1 < 128.199083947 and attr store1 > 127.399083947 ) or bondedto (attr store1 < 32.7136386844 and attr store1 > 31.9136386844 ))) 6 0.1 0.1 peak 2412 volume 27.49057 ppm1 2.270 ppm2 7.314 ! ############### C13_CNnoesy_manual.2413 folded - assi (attr store1 < 7.172 and attr store1 > 7.072 ) ((attr store1 < 2.302 and attr store1 > 2.242 ) and (bondedto (attr store1 < 128.190083947 and attr store1 > 127.390083947 ) or bondedto (attr store1 < 32.7046386844 and attr store1 > 31.9046386844 ))) 6 0.1 0.1 peak 2413 volume 54.14114 ppm1 2.272 ppm2 7.122 ! ############### C13_CNnoesy_manual.2414 folded - assi (attr store1 < 2.09 and attr store1 > 1.99 ) ((attr store1 < 2.069 and attr store1 > 2.009 ) and (bondedto (attr store1 < 128.228083947 and attr store1 > 127.428083947 ) or bondedto (attr store1 < 32.7426386844 and attr store1 > 31.9426386844 ))) 6 0.1 0.1 peak 2414 volume 2400.15161 ppm1 2.039 ppm2 2.040 ! ############### C13_CNnoesy_manual.2415 folded - assi (attr store1 < 1.087 and attr store1 > 0.987 ) ((attr store1 < 2.023 and attr store1 > 1.963 ) and (bondedto (attr store1 < 128.266083947 and attr store1 > 127.466083947 ) or bondedto (attr store1 < 32.7806386844 and attr store1 > 31.9806386844 ))) 6 0.1 0.1 peak 2415 volume 37.88113 ppm1 1.993 ppm2 1.037 ! ############### C13_CNnoesy_manual.2416 folded - assi (attr store1 < 3.792 and attr store1 > 3.692 ) ((attr store1 < 2.015 and attr store1 > 1.955 ) and (bondedto (attr store1 < 128.228083947 and attr store1 > 127.428083947 ) or bondedto (attr store1 < 32.7426386844 and attr store1 > 31.9426386844 ))) 6 0.1 0.1 peak 2416 volume 24.6031 ppm1 1.985 ppm2 3.742 ! ############### C13_CNnoesy_manual.2417 folded - assi (attr store1 < 1.443 and attr store1 > 1.343 ) ((attr store1 < 2.007 and attr store1 > 1.947 ) and (bondedto (attr store1 < 128.227083947 and attr store1 > 127.427083947 ) or bondedto (attr store1 < 32.7416386844 and attr store1 > 31.9416386844 ))) 6 0.1 0.1 peak 2417 volume 18.88081 ppm1 1.977 ppm2 1.393 ! ############### C13_CNnoesy_manual.2418 folded - assi (attr store1 < 9.629 and attr store1 > 9.529 ) ((attr store1 < 1.923 and attr store1 > 1.863 ) and (bondedto (attr store1 < 128.193083947 and attr store1 > 127.393083947 ) or bondedto (attr store1 < 32.7076386844 and attr store1 > 31.9076386844 ))) 6 0.1 0.1 peak 2418 volume 39.61827 ppm1 1.893 ppm2 9.579 ! ############### C13_CNnoesy_manual.2419 folded + assi (attr store1 < 4.618 and attr store1 > 4.518 ) ((attr store1 < 4.607 and attr store1 > 4.547 ) and (bondedto (attr store1 < 104.245722631 and attr store1 > 103.445722631 ) or bondedto (attr store1 < 56.503 and attr store1 > 55.703 ) or bondedto (attr store1 < 8.7602773688 and attr store1 > 7.9602773688 ))) 6 0.1 0.1 peak 2419 volume 480.85321 ppm1 4.577 ppm2 4.568 ! ############### C13_CNnoesy_manual.2420 folded + assi (attr store1 < 7.729 and attr store1 > 7.629 ) ((attr store1 < 4.594 and attr store1 > 4.534 ) and (bondedto (attr store1 < 104.250722631 and attr store1 > 103.450722631 ) or bondedto (attr store1 < 56.508 and attr store1 > 55.708 ) or bondedto (attr store1 < 8.7652773688 and attr store1 > 7.9652773688 ))) 6 0.1 0.1 peak 2420 volume 17.55010 ppm1 4.564 ppm2 7.679 ! ############### C13_CNnoesy_manual.2421 folded + assi (attr store1 < 1.402 and attr store1 > 1.302 ) ((attr store1 < 4.593 and attr store1 > 4.533 ) and (bondedto (attr store1 < 104.284722631 and attr store1 > 103.484722631 ) or bondedto (attr store1 < 56.542 and attr store1 > 55.742 ) or bondedto (attr store1 < 8.7992773688 and attr store1 > 7.9992773688 ))) 6 0.1 0.1 peak 2421 volume 18.37689 ppm1 4.563 ppm2 1.352 ! ############### C13_CNnoesy_manual.2422 folded + assi (attr store1 < 0.843 and attr store1 > 0.743 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 104.222722631 and attr store1 > 103.422722631 ) or bondedto (attr store1 < 56.48 and attr store1 > 55.68 ) or bondedto (attr store1 < 8.7372773688 and attr store1 > 7.9372773688 ))) 6 0.1 0.1 peak 2422 volume 11.93361 ppm1 4.566 ppm2 0.793 ! ############### C13_CNnoesy_manual.2423 folded + assi (attr store1 < 8.466 and attr store1 > 8.366 ) ((attr store1 < 4.586 and attr store1 > 4.526 ) and (bondedto (attr store1 < 104.248722631 and attr store1 > 103.448722631 ) or bondedto (attr store1 < 56.506 and attr store1 > 55.706 ) or bondedto (attr store1 < 8.7632773688 and attr store1 > 7.9632773688 ))) 6 0.1 0.1 peak 2423 volume 8.30958 ppm1 4.556 ppm2 8.416 ! ############### C13_CNnoesy_manual.2424 folded + assi (attr store1 < 3.269 and attr store1 > 3.169 ) ((attr store1 < 4.204 and attr store1 > 4.144 ) and (bondedto (attr store1 < 104.309722631 and attr store1 > 103.509722631 ) or bondedto (attr store1 < 56.567 and attr store1 > 55.767 ) or bondedto (attr store1 < 8.8242773688 and attr store1 > 8.0242773688 ))) 6 0.1 0.1 peak 2424 volume 15.75939 ppm1 4.174 ppm2 3.219 ! ############### C13_CNnoesy_manual.2425 folded + assi (attr store1 < 1.16 and attr store1 > 1.06 ) ((attr store1 < 4.204 and attr store1 > 4.144 ) and (bondedto (attr store1 < 104.302722631 and attr store1 > 103.502722631 ) or bondedto (attr store1 < 56.56 and attr store1 > 55.76 ) or bondedto (attr store1 < 8.8172773688 and attr store1 > 8.0172773688 ))) 6 0.1 0.1 peak 2425 volume 18.31645 ppm1 4.174 ppm2 1.110 ! ############### C13_CNnoesy_manual.2426 folded + assi (attr store1 < 1.105 and attr store1 > 1.005 ) ((attr store1 < 4.202 and attr store1 > 4.142 ) and (bondedto (attr store1 < 104.303722631 and attr store1 > 103.503722631 ) or bondedto (attr store1 < 56.561 and attr store1 > 55.761 ) or bondedto (attr store1 < 8.8182773688 and attr store1 > 8.0182773688 ))) 6 0.1 0.1 peak 2426 volume 14.07231 ppm1 4.172 ppm2 1.055 ! ############### C13_CNnoesy_manual.2427 folded + assi (attr store1 < 8.711 and attr store1 > 8.611 ) ((attr store1 < 3.865 and attr store1 > 3.805 ) and (bondedto (attr store1 < 104.259722631 and attr store1 > 103.459722631 ) or bondedto (attr store1 < 56.517 and attr store1 > 55.717 ) or bondedto (attr store1 < 8.7742773688 and attr store1 > 7.9742773688 ))) 6 0.1 0.1 peak 2427 volume 28.14819 ppm1 3.835 ppm2 8.661 ! ############### C13_CNnoesy_manual.2428 folded + assi (attr store1 < 8.479 and attr store1 > 8.379 ) ((attr store1 < 3.864 and attr store1 > 3.804 ) and (bondedto (attr store1 < 104.247722631 and attr store1 > 103.447722631 ) or bondedto (attr store1 < 56.505 and attr store1 > 55.705 ) or bondedto (attr store1 < 8.7622773688 and attr store1 > 7.9622773688 ))) 6 0.1 0.1 peak 2428 volume 16.26131 ppm1 3.834 ppm2 8.429 ! ############### C13_CNnoesy_manual.2429 folded + assi (attr store1 < 3.884 and attr store1 > 3.784 ) ((attr store1 < 3.863 and attr store1 > 3.803 ) and (bondedto (attr store1 < 104.218722631 and attr store1 > 103.418722631 ) or bondedto (attr store1 < 56.476 and attr store1 > 55.676 ) or bondedto (attr store1 < 8.7332773688 and attr store1 > 7.9332773688 ))) 6 0.1 0.1 peak 2429 volume 498.96136 ppm1 3.833 ppm2 3.834 ! ############### C13_CNnoesy_manual.2430 folded + assi (attr store1 < 2.142 and attr store1 > 2.042 ) ((attr store1 < 3.864 and attr store1 > 3.804 ) and (bondedto (attr store1 < 104.262722631 and attr store1 > 103.462722631 ) or bondedto (attr store1 < 56.52 and attr store1 > 55.72 ) or bondedto (attr store1 < 8.7772773688 and attr store1 > 7.9772773688 ))) 6 0.1 0.1 peak 2430 volume 48.08039 ppm1 3.834 ppm2 2.092 ! ############### C13_CNnoesy_manual.2431 folded + assi (attr store1 < 1.974 and attr store1 > 1.874 ) ((attr store1 < 3.87 and attr store1 > 3.81 ) and (bondedto (attr store1 < 104.291722631 and attr store1 > 103.491722631 ) or bondedto (attr store1 < 56.549 and attr store1 > 55.749 ) or bondedto (attr store1 < 8.8062773688 and attr store1 > 8.0062773688 ))) 6 0.1 0.1 peak 2431 volume 13.92843 ppm1 3.840 ppm2 1.924 ! ############### C13_CNnoesy_manual.2432 folded + assi (attr store1 < 1.419 and attr store1 > 1.319 ) ((attr store1 < 3.863 and attr store1 > 3.803 ) and (bondedto (attr store1 < 104.263722631 and attr store1 > 103.463722631 ) or bondedto (attr store1 < 56.521 and attr store1 > 55.721 ) or bondedto (attr store1 < 8.7782773688 and attr store1 > 7.9782773688 ))) 6 0.1 0.1 peak 2432 volume 121.90436 ppm1 3.833 ppm2 1.369 ! ############### C13_CNnoesy_manual.2433 folded + assi (attr store1 < 0.869 and attr store1 > 0.769 ) ((attr store1 < 3.864 and attr store1 > 3.804 ) and (bondedto (attr store1 < 104.260722631 and attr store1 > 103.460722631 ) or bondedto (attr store1 < 56.518 and attr store1 > 55.718 ) or bondedto (attr store1 < 8.7752773688 and attr store1 > 7.9752773688 ))) 6 0.1 0.1 peak 2433 volume 74.71732 ppm1 3.834 ppm2 0.819 ! ############### C13_CNnoesy_manual.2434 folded - assi (attr store1 < 2.094 and attr store1 > 1.994 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 128.179083947 and attr store1 > 127.379083947 ) or bondedto (attr store1 < 32.6936386844 and attr store1 > 31.8936386844 ))) 6 0.1 0.1 peak 2434 volume 35.8504 ppm1 4.566 ppm2 2.044 ! ############### C13_CNnoesy_manual.2435 folded - assi (attr store1 < 2.595 and attr store1 > 2.495 ) ((attr store1 < 2.652 and attr store1 > 2.592 ) and (bondedto (attr store1 < 128.165083947 and attr store1 > 127.365083947 ) or bondedto (attr store1 < 32.6796386844 and attr store1 > 31.8796386844 ))) 6 0.1 0.1 peak 2435 volume 236.15254 ppm1 2.622 ppm2 2.545 ! ############### C13_CNnoesy_manual.2436 folded - assi (attr store1 < 2.518 and attr store1 > 2.418 ) ((attr store1 < 2.64 and attr store1 > 2.58 ) and (bondedto (attr store1 < 128.139083947 and attr store1 > 127.339083947 ) or bondedto (attr store1 < 32.6536386844 and attr store1 > 31.8536386844 ))) 6 0.1 0.1 peak 2436 volume 130.02559 ppm1 2.610 ppm2 2.468 ! ############### C13_CNnoesy_manual.2437 folded - assi (attr store1 < 2.436 and attr store1 > 2.336 ) ((attr store1 < 2.625 and attr store1 > 2.565 ) and (bondedto (attr store1 < 128.172083947 and attr store1 > 127.372083947 ) or bondedto (attr store1 < 32.6866386844 and attr store1 > 31.8866386844 ))) 6 0.1 0.1 peak 2437 volume 132.09314 ppm1 2.595 ppm2 2.386 ! ############### C13_CNnoesy_manual.2438 folded - assi (attr store1 < 2.195 and attr store1 > 2.095 ) ((attr store1 < 2.628 and attr store1 > 2.568 ) and (bondedto (attr store1 < 128.145083947 and attr store1 > 127.345083947 ) or bondedto (attr store1 < 32.6596386844 and attr store1 > 31.8596386844 ))) 6 0.1 0.1 peak 2438 volume 44.11548 ppm1 2.598 ppm2 2.145 ! ############### C13_CNnoesy_manual.2439 folded - assi (attr store1 < 1.978 and attr store1 > 1.878 ) ((attr store1 < 2.622 and attr store1 > 2.562 ) and (bondedto (attr store1 < 128.098083947 and attr store1 > 127.298083947 ) or bondedto (attr store1 < 32.6126386844 and attr store1 > 31.8126386844 ))) 6 0.1 0.1 peak 2439 volume 33.75864 ppm1 2.592 ppm2 1.928 ! ############### C13_CNnoesy_manual.2440 folded - assi (attr store1 < 1.574 and attr store1 > 1.474 ) ((attr store1 < 2.627 and attr store1 > 2.567 ) and (bondedto (attr store1 < 128.177083947 and attr store1 > 127.377083947 ) or bondedto (attr store1 < 32.6916386844 and attr store1 > 31.8916386844 ))) 6 0.1 0.1 peak 2440 volume 26.34547 ppm1 2.597 ppm2 1.524 ! ############### C13_CNnoesy_manual.2441 folded - assi (attr store1 < 1.376 and attr store1 > 1.276 ) ((attr store1 < 2.625 and attr store1 > 2.565 ) and (bondedto (attr store1 < 128.150083947 and attr store1 > 127.350083947 ) or bondedto (attr store1 < 32.6646386844 and attr store1 > 31.8646386844 ))) 6 0.1 0.1 peak 2441 volume 16.60011 ppm1 2.595 ppm2 1.326 ! ############### C13_CNnoesy_manual.2442 folded - assi (attr store1 < 0.823 and attr store1 > 0.723 ) ((attr store1 < 2.626 and attr store1 > 2.566 ) and (bondedto (attr store1 < 128.158083947 and attr store1 > 127.358083947 ) or bondedto (attr store1 < 32.6726386844 and attr store1 > 31.8726386844 ))) 6 0.1 0.1 peak 2442 volume 21.93921 ppm1 2.596 ppm2 0.773 ! ############### C13_CNnoesy_manual.2443 folded - assi (attr store1 < 2.593 and attr store1 > 2.493 ) ((attr store1 < 2.615 and attr store1 > 2.555 ) and (bondedto (attr store1 < 128.161083947 and attr store1 > 127.361083947 ) or bondedto (attr store1 < 32.6756386844 and attr store1 > 31.8756386844 ))) 6 0.1 0.1 peak 2443 volume 390.52716 ppm1 2.585 ppm2 2.543 ! ############### C13_CNnoesy_manual.2444 folded - assi (attr store1 < 2.49 and attr store1 > 2.39 ) ((attr store1 < 2.479 and attr store1 > 2.419 ) and (bondedto (attr store1 < 128.169083947 and attr store1 > 127.369083947 ) or bondedto (attr store1 < 32.6836386844 and attr store1 > 31.8836386844 ))) 6 0.1 0.1 peak 2444 volume 2237.3313 ppm1 2.449 ppm2 2.440 ! ############### C13_CNnoesy_manual.2445 folded - assi (attr store1 < 2.117 and attr store1 > 2.017 ) ((attr store1 < 2.463 and attr store1 > 2.403 ) and (bondedto (attr store1 < 128.138083947 and attr store1 > 127.338083947 ) or bondedto (attr store1 < 32.6526386844 and attr store1 > 31.8526386844 ))) 6 0.1 0.1 peak 2445 volume 229.27782 ppm1 2.433 ppm2 2.067 ! ############### C13_CNnoesy_manual.2446 folded - assi (attr store1 < 2.648 and attr store1 > 2.548 ) ((attr store1 < 2.418 and attr store1 > 2.358 ) and (bondedto (attr store1 < 128.169083947 and attr store1 > 127.369083947 ) or bondedto (attr store1 < 32.6836386844 and attr store1 > 31.8836386844 ))) 6 0.1 0.1 peak 2446 volume 149.91991 ppm1 2.388 ppm2 2.598 ! ############### C13_CNnoesy_manual.2447 folded - assi (attr store1 < 1.573 and attr store1 > 1.473 ) ((attr store1 < 2.414 and attr store1 > 2.354 ) and (bondedto (attr store1 < 128.168083947 and attr store1 > 127.368083947 ) or bondedto (attr store1 < 32.6826386844 and attr store1 > 31.8826386844 ))) 6 0.1 0.1 peak 2447 volume 22.00914 ppm1 2.384 ppm2 1.523 ! ############### C13_CNnoesy_manual.2448 folded - assi (attr store1 < 1.394 and attr store1 > 1.294 ) ((attr store1 < 2.417 and attr store1 > 2.357 ) and (bondedto (attr store1 < 128.145083947 and attr store1 > 127.345083947 ) or bondedto (attr store1 < 32.6596386844 and attr store1 > 31.8596386844 ))) 6 0.1 0.1 peak 2448 volume 15.66239 ppm1 2.387 ppm2 1.344 ! ############### C13_CNnoesy_manual.2449 folded - assi (attr store1 < 0.844 and attr store1 > 0.744 ) ((attr store1 < 2.415 and attr store1 > 2.355 ) and (bondedto (attr store1 < 128.162083947 and attr store1 > 127.362083947 ) or bondedto (attr store1 < 32.6766386844 and attr store1 > 31.8766386844 ))) 6 0.1 0.1 peak 2449 volume 30.99994 ppm1 2.385 ppm2 0.794 ! ############### C13_CNnoesy_manual.2450 folded - assi (attr store1 < 4.367 and attr store1 > 4.267 ) ((attr store1 < 2.303 and attr store1 > 2.243 ) and (bondedto (attr store1 < 128.156083947 and attr store1 > 127.356083947 ) or bondedto (attr store1 < 32.6706386844 and attr store1 > 31.8706386844 ))) 6 0.1 0.1 peak 2450 volume 18.34176 ppm1 2.273 ppm2 4.317 ! ############### C13_CNnoesy_manual.2451 folded - assi (attr store1 < 3.777 and attr store1 > 3.677 ) ((attr store1 < 2.3 and attr store1 > 2.24 ) and (bondedto (attr store1 < 128.181083947 and attr store1 > 127.381083947 ) or bondedto (attr store1 < 32.6956386844 and attr store1 > 31.8956386844 ))) 6 0.1 0.1 peak 2451 volume 25.11943 ppm1 2.270 ppm2 3.727 ! ############### C13_CNnoesy_manual.2452 folded - assi (attr store1 < 1.831 and attr store1 > 1.731 ) ((attr store1 < 2.298 and attr store1 > 2.238 ) and (bondedto (attr store1 < 128.171083947 and attr store1 > 127.371083947 ) or bondedto (attr store1 < 32.6856386844 and attr store1 > 31.8856386844 ))) 6 0.1 0.1 peak 2452 volume 18.55921 ppm1 2.268 ppm2 1.781 ! ############### C13_CNnoesy_manual.2453 folded - assi (attr store1 < 1.289 and attr store1 > 1.189 ) ((attr store1 < 2.301 and attr store1 > 2.241 ) and (bondedto (attr store1 < 128.180083947 and attr store1 > 127.380083947 ) or bondedto (attr store1 < 32.6946386844 and attr store1 > 31.8946386844 ))) 6 0.1 0.1 peak 2453 volume 80.0648 ppm1 2.271 ppm2 1.239 ! ############### C13_CNnoesy_manual.2454 folded - assi (attr store1 < 8.744 and attr store1 > 8.644 ) ((attr store1 < 2.028 and attr store1 > 1.968 ) and (bondedto (attr store1 < 128.141083947 and attr store1 > 127.341083947 ) or bondedto (attr store1 < 32.6556386844 and attr store1 > 31.8556386844 ))) 6 0.1 0.1 peak 2454 volume 20.68763 ppm1 1.998 ppm2 8.694 ! ############### C13_CNnoesy_manual.2455 folded - assi (attr store1 < 3.519 and attr store1 > 3.419 ) ((attr store1 < 2.026 and attr store1 > 1.966 ) and (bondedto (attr store1 < 128.118083947 and attr store1 > 127.318083947 ) or bondedto (attr store1 < 32.6326386844 and attr store1 > 31.8326386844 ))) 6 0.1 0.1 peak 2455 volume 17.99529 ppm1 1.996 ppm2 3.469 ! ############### C13_CNnoesy_manual.2456 folded - assi (attr store1 < 0.948 and attr store1 > 0.848 ) ((attr store1 < 2.025 and attr store1 > 1.965 ) and (bondedto (attr store1 < 128.134083947 and attr store1 > 127.334083947 ) or bondedto (attr store1 < 32.6486386844 and attr store1 > 31.8486386844 ))) 6 0.1 0.1 peak 2456 volume 130.12694 ppm1 1.995 ppm2 0.898 ! ############### C13_CNnoesy_manual.2457 folded - assi (attr store1 < 0.947 and attr store1 > 0.847 ) ((attr store1 < 1.923 and attr store1 > 1.863 ) and (bondedto (attr store1 < 128.179083947 and attr store1 > 127.379083947 ) or bondedto (attr store1 < 32.6936386844 and attr store1 > 31.8936386844 ))) 6 0.1 0.1 peak 2457 volume 122.15987 ppm1 1.893 ppm2 0.897 ! ############### C13_CNnoesy_manual.2458 folded - assi (attr store1 < 1.924 and attr store1 > 1.824 ) ((attr store1 < 1.914 and attr store1 > 1.854 ) and (bondedto (attr store1 < 128.169083947 and attr store1 > 127.369083947 ) or bondedto (attr store1 < 32.6836386844 and attr store1 > 31.8836386844 ))) 6 0.1 0.1 peak 2458 volume 363.36206 ppm1 1.884 ppm2 1.874 ! ############### C13_CNnoesy_manual.2459 folded - assi (attr store1 < 8.753 and attr store1 > 8.653 ) ((attr store1 < 0.932 and attr store1 > 0.872 ) and (bondedto (attr store1 < 128.127083947 and attr store1 > 127.327083947 ) or bondedto (attr store1 < 32.6416386844 and attr store1 > 31.8416386844 ))) 6 0.1 0.1 peak 2459 volume 14.32692 ppm1 0.902 ppm2 8.703 ! ############### C13_CNnoesy_manual.2460 folded - assi (attr store1 < 3.837 and attr store1 > 3.737 ) ((attr store1 < 0.935 and attr store1 > 0.875 ) and (bondedto (attr store1 < 128.103083947 and attr store1 > 127.303083947 ) or bondedto (attr store1 < 32.6176386844 and attr store1 > 31.8176386844 ))) 6 0.1 0.1 peak 2460 volume 6.86347 ppm1 0.905 ppm2 3.787 ! ############### C13_CNnoesy_manual.2461 folded - assi (attr store1 < 3.529 and attr store1 > 3.429 ) ((attr store1 < 0.932 and attr store1 > 0.872 ) and (bondedto (attr store1 < 128.127083947 and attr store1 > 127.327083947 ) or bondedto (attr store1 < 32.6416386844 and attr store1 > 31.8416386844 ))) 6 0.1 0.1 peak 2461 volume 16.68084 ppm1 0.902 ppm2 3.479 ! ############### C13_CNnoesy_manual.2462 folded - assi (attr store1 < 2.05 and attr store1 > 1.95 ) ((attr store1 < 0.931 and attr store1 > 0.871 ) and (bondedto (attr store1 < 128.115083947 and attr store1 > 127.315083947 ) or bondedto (attr store1 < 32.6296386844 and attr store1 > 31.8296386844 ))) 6 0.1 0.1 peak 2462 volume 81.92506 ppm1 0.901 ppm2 2.000 ! ############### C13_CNnoesy_manual.2463 folded - assi (attr store1 < 4.255 and attr store1 > 4.155 ) ((attr store1 < 0.923 and attr store1 > 0.863 ) and (bondedto (attr store1 < 128.094083947 and attr store1 > 127.294083947 ) or bondedto (attr store1 < 32.6086386844 and attr store1 > 31.8086386844 ))) 6 0.1 0.1 peak 2463 volume 9.53306 ppm1 0.893 ppm2 4.205 ! ############### C13_CNnoesy_manual.2464 folded - assi (attr store1 < 1.97 and attr store1 > 1.87 ) ((attr store1 < 0.922 and attr store1 > 0.862 ) and (bondedto (attr store1 < 128.152083947 and attr store1 > 127.352083947 ) or bondedto (attr store1 < 32.6666386844 and attr store1 > 31.8666386844 ))) 6 0.1 0.1 peak 2464 volume 79.02729 ppm1 0.892 ppm2 1.920 ! ############### C13_CNnoesy_manual.2465 folded + assi (attr store1 < 8.71 and attr store1 > 8.61 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 104.199722631 and attr store1 > 103.399722631 ) or bondedto (attr store1 < 56.457 and attr store1 > 55.657 ) or bondedto (attr store1 < 8.7142773688 and attr store1 > 7.9142773688 ))) 6 0.1 0.1 peak 2465 volume 10.49787 ppm1 4.566 ppm2 8.660 ! ############### C13_CNnoesy_manual.2466 folded + assi (attr store1 < 8.058 and attr store1 > 7.958 ) ((attr store1 < 4.593 and attr store1 > 4.533 ) and (bondedto (attr store1 < 104.192722631 and attr store1 > 103.392722631 ) or bondedto (attr store1 < 56.45 and attr store1 > 55.65 ) or bondedto (attr store1 < 8.7072773688 and attr store1 > 7.9072773688 ))) 6 0.1 0.1 peak 2466 volume 14.82311 ppm1 4.563 ppm2 8.008 ! ############### C13_CNnoesy_manual.2467 folded + assi (attr store1 < 1.622 and attr store1 > 1.522 ) ((attr store1 < 4.6 and attr store1 > 4.54 ) and (bondedto (attr store1 < 104.197722631 and attr store1 > 103.397722631 ) or bondedto (attr store1 < 56.455 and attr store1 > 55.655 ) or bondedto (attr store1 < 8.7122773688 and attr store1 > 7.9122773688 ))) 6 0.1 0.1 peak 2467 volume 7.04136 ppm1 4.570 ppm2 1.572 ! ############### C13_CNnoesy_manual.2468 folded + assi (attr store1 < 0.891 and attr store1 > 0.791 ) ((attr store1 < 4.596 and attr store1 > 4.536 ) and (bondedto (attr store1 < 104.198722631 and attr store1 > 103.398722631 ) or bondedto (attr store1 < 56.456 and attr store1 > 55.656 ) or bondedto (attr store1 < 8.7132773688 and attr store1 > 7.9132773688 ))) 6 0.1 0.1 peak 2468 volume 9.87147 ppm1 4.566 ppm2 0.841 ! ############### C13_CNnoesy_manual.2469 folded + assi (attr store1 < 8.173 and attr store1 > 8.073 ) ((attr store1 < 3.854 and attr store1 > 3.794 ) and (bondedto (attr store1 < 104.191722631 and attr store1 > 103.391722631 ) or bondedto (attr store1 < 56.449 and attr store1 > 55.649 ) or bondedto (attr store1 < 8.7062773688 and attr store1 > 7.9062773688 ))) 6 0.1 0.1 peak 2469 volume 11.28167 ppm1 3.824 ppm2 8.123 ! ############### C13_CNnoesy_manual.2470 folded - assi (attr store1 < 2.339 and attr store1 > 2.239 ) ((attr store1 < 2.315 and attr store1 > 2.255 ) and (bondedto (attr store1 < 127.997083947 and attr store1 > 127.197083947 ) or bondedto (attr store1 < 32.5116386844 and attr store1 > 31.7116386844 ))) 6 0.1 0.1 peak 2470 volume 859.3811 ppm1 2.285 ppm2 2.289 ! ############### C13_CNnoesy_manual.2471 folded - assi (attr store1 < 1.104 and attr store1 > 1.004 ) ((attr store1 < 2.314 and attr store1 > 2.254 ) and (bondedto (attr store1 < 128.023083947 and attr store1 > 127.223083947 ) or bondedto (attr store1 < 32.5376386844 and attr store1 > 31.7376386844 ))) 6 0.1 0.1 peak 2471 volume 122.92108 ppm1 2.284 ppm2 1.054 ! ############### C13_CNnoesy_manual.2472 folded - assi (attr store1 < 1.566 and attr store1 > 1.466 ) ((attr store1 < 0.933 and attr store1 > 0.873 ) and (bondedto (attr store1 < 128.070083947 and attr store1 > 127.270083947 ) or bondedto (attr store1 < 32.5846386844 and attr store1 > 31.7846386844 ))) 6 0.1 0.1 peak 2472 volume 15.04883 ppm1 0.903 ppm2 1.516 ! ############### C13_CNnoesy_manual.2473 folded + assi (attr store1 < 8.74 and attr store1 > 8.64 ) ((attr store1 < 4.237 and attr store1 > 4.177 ) and (bondedto (attr store1 < 104.033722631 and attr store1 > 103.233722631 ) or bondedto (attr store1 < 56.291 and attr store1 > 55.491 ) or bondedto (attr store1 < 8.5482773688 and attr store1 > 7.7482773688 ))) 6 0.1 0.1 peak 2473 volume 14.38593 ppm1 4.207 ppm2 8.690 ! ############### C13_CNnoesy_manual.2474 folded + assi (attr store1 < 8.392 and attr store1 > 8.292 ) ((attr store1 < 4.242 and attr store1 > 4.182 ) and (bondedto (attr store1 < 104.067722631 and attr store1 > 103.267722631 ) or bondedto (attr store1 < 56.325 and attr store1 > 55.525 ) or bondedto (attr store1 < 8.5822773688 and attr store1 > 7.7822773688 ))) 6 0.1 0.1 peak 2474 volume 25.04730 ppm1 4.212 ppm2 8.342 ! ############### C13_CNnoesy_manual.2475 folded + assi (attr store1 < 2.134 and attr store1 > 2.034 ) ((attr store1 < 4.242 and attr store1 > 4.182 ) and (bondedto (attr store1 < 104.047722631 and attr store1 > 103.247722631 ) or bondedto (attr store1 < 56.305 and attr store1 > 55.505 ) or bondedto (attr store1 < 8.5622773688 and attr store1 > 7.7622773688 ))) 6 0.1 0.1 peak 2475 volume 57.73006 ppm1 4.212 ppm2 2.084 ! ############### C13_CNnoesy_manual.2476 folded + assi (attr store1 < 1.715 and attr store1 > 1.615 ) ((attr store1 < 4.242 and attr store1 > 4.182 ) and (bondedto (attr store1 < 104.059722631 and attr store1 > 103.259722631 ) or bondedto (attr store1 < 56.317 and attr store1 > 55.517 ) or bondedto (attr store1 < 8.5742773688 and attr store1 > 7.7742773688 ))) 6 0.1 0.1 peak 2476 volume 127.51397 ppm1 4.212 ppm2 1.665 ! ############### C13_CNnoesy_manual.2477 folded + assi (attr store1 < 0.96 and attr store1 > 0.86 ) ((attr store1 < 4.242 and attr store1 > 4.182 ) and (bondedto (attr store1 < 104.048722631 and attr store1 > 103.248722631 ) or bondedto (attr store1 < 56.306 and attr store1 > 55.506 ) or bondedto (attr store1 < 8.5632773688 and attr store1 > 7.7632773688 ))) 6 0.1 0.1 peak 2477 volume 63.17255 ppm1 4.212 ppm2 0.910 ! ############### C13_CNnoesy_manual.2478 folded - assi (attr store1 < 3.51 and attr store1 > 3.41 ) ((attr store1 < 7.487 and attr store1 > 7.427 ) and (bondedto (attr store1 < 127.943083947 and attr store1 > 127.143083947 ) or bondedto (attr store1 < 32.4576386844 and attr store1 > 31.6576386844 ))) 6 0.1 0.1 peak 2478 volume 33.18951 ppm1 7.457 ppm2 3.460 ! ############### C13_CNnoesy_manual.2479 folded - assi (attr store1 < 9.62 and attr store1 > 9.52 ) ((attr store1 < 2.551 and attr store1 > 2.491 ) and (bondedto (attr store1 < 127.944083947 and attr store1 > 127.144083947 ) or bondedto (attr store1 < 32.4586386844 and attr store1 > 31.6586386844 ))) 6 0.1 0.1 peak 2479 volume 12.46091 ppm1 2.521 ppm2 9.570 ! ############### C13_CNnoesy_manual.2480 folded - assi (attr store1 < 8.227 and attr store1 > 8.127 ) ((attr store1 < 2.551 and attr store1 > 2.491 ) and (bondedto (attr store1 < 127.946083947 and attr store1 > 127.146083947 ) or bondedto (attr store1 < 32.4606386844 and attr store1 > 31.6606386844 ))) 6 0.1 0.1 peak 2480 volume 10.64575 ppm1 2.521 ppm2 8.177 ! ############### C13_CNnoesy_manual.2481 folded - assi (attr store1 < 1.976 and attr store1 > 1.876 ) ((attr store1 < 2.547 and attr store1 > 2.487 ) and (bondedto (attr store1 < 127.911083947 and attr store1 > 127.111083947 ) or bondedto (attr store1 < 32.4256386844 and attr store1 > 31.6256386844 ))) 6 0.1 0.1 peak 2481 volume 168.28995 ppm1 2.517 ppm2 1.926 ! ############### C13_CNnoesy_manual.2482 folded - assi (attr store1 < 1.292 and attr store1 > 1.192 ) ((attr store1 < 2.544 and attr store1 > 2.484 ) and (bondedto (attr store1 < 127.935083947 and attr store1 > 127.135083947 ) or bondedto (attr store1 < 32.4496386844 and attr store1 > 31.6496386844 ))) 6 0.1 0.1 peak 2482 volume 10.54844 ppm1 2.514 ppm2 1.242 ! ############### C13_CNnoesy_manual.2483 folded - assi (attr store1 < 2.303 and attr store1 > 2.203 ) ((attr store1 < 2.54 and attr store1 > 2.48 ) and (bondedto (attr store1 < 127.923083947 and attr store1 > 127.123083947 ) or bondedto (attr store1 < 32.4376386844 and attr store1 > 31.6376386844 ))) 6 0.1 0.1 peak 2483 volume 143.29753 ppm1 2.510 ppm2 2.253 ! ############### C13_CNnoesy_manual.2484 folded - assi (attr store1 < 2.557 and attr store1 > 2.457 ) ((attr store1 < 2.521 and attr store1 > 2.461 ) and (bondedto (attr store1 < 127.924083947 and attr store1 > 127.124083947 ) or bondedto (attr store1 < 32.4386386844 and attr store1 > 31.6386386844 ))) 6 0.1 0.1 peak 2484 volume 470.01126 ppm1 2.491 ppm2 2.507 ! ############### C13_CNnoesy_manual.2485 folded - assi (attr store1 < 4.707 and attr store1 > 4.607 ) ((attr store1 < 1.958 and attr store1 > 1.898 ) and (bondedto (attr store1 < 127.919083947 and attr store1 > 127.119083947 ) or bondedto (attr store1 < 32.4336386844 and attr store1 > 31.6336386844 ))) 6 0.1 0.1 peak 2485 volume 28.34352 ppm1 1.928 ppm2 4.657 ! ############### C13_CNnoesy_manual.2486 folded - assi (attr store1 < 3.712 and attr store1 > 3.612 ) ((attr store1 < 1.96 and attr store1 > 1.9 ) and (bondedto (attr store1 < 127.943083947 and attr store1 > 127.143083947 ) or bondedto (attr store1 < 32.4576386844 and attr store1 > 31.6576386844 ))) 6 0.1 0.1 peak 2486 volume 19.31627 ppm1 1.930 ppm2 3.662 ! ############### C13_CNnoesy_manual.2487 folded - assi (attr store1 < 2.32 and attr store1 > 2.22 ) ((attr store1 < 1.958 and attr store1 > 1.898 ) and (bondedto (attr store1 < 127.927083947 and attr store1 > 127.127083947 ) or bondedto (attr store1 < 32.4416386844 and attr store1 > 31.6416386844 ))) 6 0.1 0.1 peak 2487 volume 87.686 ppm1 1.928 ppm2 2.270 ! ############### C13_CNnoesy_manual.2488 folded - assi (attr store1 < 2.566 and attr store1 > 2.466 ) ((attr store1 < 1.956 and attr store1 > 1.896 ) and (bondedto (attr store1 < 127.916083947 and attr store1 > 127.116083947 ) or bondedto (attr store1 < 32.4306386844 and attr store1 > 31.6306386844 ))) 6 0.1 0.1 peak 2488 volume 152.73213 ppm1 1.926 ppm2 2.516 ! ############### C13_CNnoesy_manual.2489 folded - assi (attr store1 < 3.679 and attr store1 > 3.579 ) ((attr store1 < 2.546 and attr store1 > 2.486 ) and (bondedto (attr store1 < 127.895083947 and attr store1 > 127.095083947 ) or bondedto (attr store1 < 32.4096386844 and attr store1 > 31.6096386844 ))) 6 0.1 0.1 peak 2489 volume 14.14703 ppm1 2.516 ppm2 3.629 ! ############### C13_CNnoesy_manual.2490 folded - assi (attr store1 < 4.235 and attr store1 > 4.135 ) ((attr store1 < 2.336 and attr store1 > 2.276 ) and (bondedto (attr store1 < 127.875083947 and attr store1 > 127.075083947 ) or bondedto (attr store1 < 32.3896386844 and attr store1 > 31.5896386844 ))) 6 0.1 0.1 peak 2490 volume 24.9389 ppm1 2.306 ppm2 4.185 ! ############### C13_CNnoesy_manual.2491 folded - assi (attr store1 < 8.364 and attr store1 > 8.264 ) ((attr store1 < 2.33 and attr store1 > 2.27 ) and (bondedto (attr store1 < 127.847083947 and attr store1 > 127.047083947 ) or bondedto (attr store1 < 32.3616386844 and attr store1 > 31.5616386844 ))) 6 0.1 0.1 peak 2491 volume 23.5683 ppm1 2.300 ppm2 8.314 ! ############### C13_CNnoesy_manual.2492 folded - assi (attr store1 < 7.847 and attr store1 > 7.747 ) ((attr store1 < 2.329 and attr store1 > 2.269 ) and (bondedto (attr store1 < 127.834083947 and attr store1 > 127.034083947 ) or bondedto (attr store1 < 32.3486386844 and attr store1 > 31.5486386844 ))) 6 0.1 0.1 peak 2492 volume 10.67959 ppm1 2.299 ppm2 7.797 ! ############### C13_CNnoesy_manual.2493 folded - assi (attr store1 < 4.032 and attr store1 > 3.932 ) ((attr store1 < 2.328 and attr store1 > 2.268 ) and (bondedto (attr store1 < 127.831083947 and attr store1 > 127.031083947 ) or bondedto (attr store1 < 32.3456386844 and attr store1 > 31.5456386844 ))) 6 0.1 0.1 peak 2493 volume 37.7174 ppm1 2.298 ppm2 3.982 ! ############### C13_CNnoesy_manual.2494 folded - assi (attr store1 < 3.852 and attr store1 > 3.752 ) ((attr store1 < 2.032 and attr store1 > 1.972 ) and (bondedto (attr store1 < 127.855083947 and attr store1 > 127.055083947 ) or bondedto (attr store1 < 32.3696386844 and attr store1 > 31.5696386844 ))) 6 0.1 0.1 peak 2494 volume 19.76336 ppm1 2.002 ppm2 3.802 ! ############### C13_CNnoesy_manual.2495 folded - assi (attr store1 < 1.288 and attr store1 > 1.188 ) ((attr store1 < 1.954 and attr store1 > 1.894 ) and (bondedto (attr store1 < 127.895083947 and attr store1 > 127.095083947 ) or bondedto (attr store1 < 32.4096386844 and attr store1 > 31.6096386844 ))) 6 0.1 0.1 peak 2495 volume 24.87497 ppm1 1.924 ppm2 1.238 ! ############### C13_CNnoesy_manual.2496 folded + assi (attr store1 < 2.903 and attr store1 > 2.803 ) ((attr store1 < 3.86 and attr store1 > 3.8 ) and (bondedto (attr store1 < 103.845722631 and attr store1 > 103.045722631 ) or bondedto (attr store1 < 56.103 and attr store1 > 55.303 ) or bondedto (attr store1 < 8.3602773688 and attr store1 > 7.5602773688 ))) 6 0.1 0.1 peak 2496 volume 10.81771 ppm1 3.830 ppm2 2.853 ! ############### C13_CNnoesy_manual.2497 folded + assi (attr store1 < 8.61 and attr store1 > 8.51 ) ((attr store1 < 3.841 and attr store1 > 3.781 ) and (bondedto (attr store1 < 103.871722631 and attr store1 > 103.071722631 ) or bondedto (attr store1 < 56.129 and attr store1 > 55.329 ) or bondedto (attr store1 < 8.3862773688 and attr store1 > 7.5862773688 ))) 6 0.1 0.1 peak 2497 volume 18.38634 ppm1 3.811 ppm2 8.560 ! ############### C13_CNnoesy_manual.2498 folded - assi (attr store1 < 4.375 and attr store1 > 4.275 ) ((attr store1 < 2.428 and attr store1 > 2.368 ) and (bondedto (attr store1 < 127.720083947 and attr store1 > 126.920083947 ) or bondedto (attr store1 < 32.2346386844 and attr store1 > 31.4346386844 ))) 6 0.1 0.1 peak 2498 volume 56.90519 ppm1 2.398 ppm2 4.325 ! ############### C13_CNnoesy_manual.2499 folded - assi (attr store1 < 3.856 and attr store1 > 3.756 ) ((attr store1 < 2.429 and attr store1 > 2.369 ) and (bondedto (attr store1 < 127.738083947 and attr store1 > 126.938083947 ) or bondedto (attr store1 < 32.2526386844 and attr store1 > 31.4526386844 ))) 6 0.1 0.1 peak 2499 volume 13.92526 ppm1 2.399 ppm2 3.806 ! ############### C13_CNnoesy_manual.2500 folded - assi (attr store1 < 4.389 and attr store1 > 4.289 ) ((attr store1 < 2.035 and attr store1 > 1.975 ) and (bondedto (attr store1 < 127.721083947 and attr store1 > 126.921083947 ) or bondedto (attr store1 < 32.2356386844 and attr store1 > 31.4356386844 ))) 6 0.1 0.1 peak 2500 volume 33.5738 ppm1 2.005 ppm2 4.339 ! ############### C13_CNnoesy_manual.2501 folded + assi (attr store1 < 7.095 and attr store1 > 6.995 ) ((attr store1 < 3.852 and attr store1 > 3.792 ) and (bondedto (attr store1 < 103.842722631 and attr store1 > 103.042722631 ) or bondedto (attr store1 < 56.1 and attr store1 > 55.3 ) or bondedto (attr store1 < 8.3572773688 and attr store1 > 7.5572773688 ))) 6 0.1 0.1 peak 2501 volume 12.08977 ppm1 3.822 ppm2 7.045 ! ############### C13_CNnoesy_manual.2502 folded + assi (attr store1 < 1.624 and attr store1 > 1.524 ) ((attr store1 < 3.851 and attr store1 > 3.791 ) and (bondedto (attr store1 < 103.798722631 and attr store1 > 102.998722631 ) or bondedto (attr store1 < 56.056 and attr store1 > 55.256 ) or bondedto (attr store1 < 8.3132773688 and attr store1 > 7.5132773688 ))) 6 0.1 0.1 peak 2502 volume 73.48318 ppm1 3.821 ppm2 1.574 ! ############### C13_CNnoesy_manual.2503 folded + assi (attr store1 < 8.413 and attr store1 > 8.313 ) ((attr store1 < 3.864 and attr store1 > 3.804 ) and (bondedto (attr store1 < 103.487722631 and attr store1 > 102.687722631 ) or bondedto (attr store1 < 55.745 and attr store1 > 54.945 ) or bondedto (attr store1 < 8.0022773688 and attr store1 > 7.2022773688 ))) 6 0.1 0.1 peak 2503 volume 5.60156 ppm1 3.834 ppm2 8.363 ! ############### C13_CNnoesy_manual.2504 folded + assi (attr store1 < 8.203 and attr store1 > 8.103 ) ((attr store1 < 3.847 and attr store1 > 3.787 ) and (bondedto (attr store1 < 103.476722631 and attr store1 > 102.676722631 ) or bondedto (attr store1 < 55.734 and attr store1 > 54.934 ) or bondedto (attr store1 < 7.9912773688 and attr store1 > 7.1912773688 ))) 6 0.1 0.1 peak 2504 volume 28.26379 ppm1 3.817 ppm2 8.153 ! ############### C13_CNnoesy_manual.2505 folded + assi (attr store1 < 3.867 and attr store1 > 3.767 ) ((attr store1 < 3.847 and attr store1 > 3.787 ) and (bondedto (attr store1 < 103.561722631 and attr store1 > 102.761722631 ) or bondedto (attr store1 < 55.819 and attr store1 > 55.019 ) or bondedto (attr store1 < 8.0762773688 and attr store1 > 7.2762773688 ))) 6 0.1 0.1 peak 2505 volume 584.21100 ppm1 3.817 ppm2 3.817 ! ############### C13_CNnoesy_manual.2506 folded + assi (attr store1 < 0.945 and attr store1 > 0.845 ) ((attr store1 < 3.846 and attr store1 > 3.786 ) and (bondedto (attr store1 < 103.483722631 and attr store1 > 102.683722631 ) or bondedto (attr store1 < 55.741 and attr store1 > 54.941 ) or bondedto (attr store1 < 7.9982773688 and attr store1 > 7.1982773688 ))) 6 0.1 0.1 peak 2506 volume 46.12235 ppm1 3.816 ppm2 0.895 ! ############### C13_CNnoesy_manual.2507 folded + assi (attr store1 < 0.827 and attr store1 > 0.727 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 103.472722631 and attr store1 > 102.672722631 ) or bondedto (attr store1 < 55.73 and attr store1 > 54.93 ) or bondedto (attr store1 < 7.9872773688 and attr store1 > 7.1872773688 ))) 6 0.1 0.1 peak 2507 volume 27.68546 ppm1 3.818 ppm2 0.777 ! ############### C13_CNnoesy_manual.2508 folded + assi (attr store1 < 0.135 and attr store1 > 0.035 ) ((attr store1 < 3.846 and attr store1 > 3.786 ) and (bondedto (attr store1 < 103.473722631 and attr store1 > 102.673722631 ) or bondedto (attr store1 < 55.731 and attr store1 > 54.931 ) or bondedto (attr store1 < 7.9882773688 and attr store1 > 7.1882773688 ))) 6 0.1 0.1 peak 2508 volume 53.47038 ppm1 3.816 ppm2 0.085 ! ############### C13_CNnoesy_manual.2509 folded + assi (attr store1 < 7.892 and attr store1 > 7.792 ) ((attr store1 < 3.84 and attr store1 > 3.78 ) and (bondedto (attr store1 < 103.534722631 and attr store1 > 102.734722631 ) or bondedto (attr store1 < 55.792 and attr store1 > 54.992 ) or bondedto (attr store1 < 8.0492773688 and attr store1 > 7.2492773688 ))) 6 0.1 0.1 peak 2509 volume 10.21514 ppm1 3.810 ppm2 7.842 ! ############### C13_CNnoesy_manual.2510 folded + assi (attr store1 < 7.262 and attr store1 > 7.162 ) ((attr store1 < 3.84 and attr store1 > 3.78 ) and (bondedto (attr store1 < 103.514722631 and attr store1 > 102.714722631 ) or bondedto (attr store1 < 55.772 and attr store1 > 54.972 ) or bondedto (attr store1 < 8.0292773688 and attr store1 > 7.2292773688 ))) 6 0.1 0.1 peak 2510 volume 7.66636 ppm1 3.810 ppm2 7.212 ! ############### C13_CNnoesy_manual.2511 folded - assi (attr store1 < 3.085 and attr store1 > 2.985 ) ((attr store1 < 3.058 and attr store1 > 2.998 ) and (bondedto (attr store1 < 127.362083947 and attr store1 > 126.562083947 ) or bondedto (attr store1 < 31.8766386844 and attr store1 > 31.0766386844 ))) 6 0.1 0.1 peak 2511 volume 119.41068 ppm1 3.028 ppm2 3.035 ! ############### C13_CNnoesy_manual.2512 folded - assi (attr store1 < 3.661 and attr store1 > 3.561 ) ((attr store1 < 2.687 and attr store1 > 2.627 ) and (bondedto (attr store1 < 127.378083947 and attr store1 > 126.578083947 ) or bondedto (attr store1 < 31.8926386844 and attr store1 > 31.0926386844 ))) 6 0.1 0.1 peak 2512 volume 6.39881 ppm1 2.657 ppm2 3.611 ! ############### C13_CNnoesy_manual.2513 folded + assi (attr store1 < 1.431 and attr store1 > 1.331 ) ((attr store1 < 3.848 and attr store1 > 3.788 ) and (bondedto (attr store1 < 103.461722631 and attr store1 > 102.661722631 ) or bondedto (attr store1 < 55.719 and attr store1 > 54.919 ) or bondedto (attr store1 < 7.9762773688 and attr store1 > 7.1762773688 ))) 6 0.1 0.1 peak 2513 volume 103.29188 ppm1 3.818 ppm2 1.381 ! ############### C13_CNnoesy_manual.2514 folded - assi (attr store1 < 7.247 and attr store1 > 7.147 ) ((attr store1 < 3.065 and attr store1 > 3.005 ) and (bondedto (attr store1 < 127.311083947 and attr store1 > 126.511083947 ) or bondedto (attr store1 < 31.8256386844 and attr store1 > 31.0256386844 ))) 6 0.1 0.1 peak 2514 volume 6.31099 ppm1 3.035 ppm2 7.197 ! ############### C13_CNnoesy_manual.2515 folded - assi (attr store1 < 4.702 and attr store1 > 4.602 ) ((attr store1 < 3.068 and attr store1 > 3.008 ) and (bondedto (attr store1 < 127.268083947 and attr store1 > 126.468083947 ) or bondedto (attr store1 < 31.7826386844 and attr store1 > 30.9826386844 ))) 6 0.1 0.1 peak 2515 volume 14.61656 ppm1 3.038 ppm2 4.652 ! ############### C13_CNnoesy_manual.2516 folded - assi (attr store1 < 4.246 and attr store1 > 4.146 ) ((attr store1 < 3.07 and attr store1 > 3.01 ) and (bondedto (attr store1 < 127.284083947 and attr store1 > 126.484083947 ) or bondedto (attr store1 < 31.7986386844 and attr store1 > 30.9986386844 ))) 6 0.1 0.1 peak 2516 volume 7.21678 ppm1 3.040 ppm2 4.196 ! ############### C13_CNnoesy_manual.2517 folded - assi (attr store1 < 3.667 and attr store1 > 3.567 ) ((attr store1 < 3.066 and attr store1 > 3.006 ) and (bondedto (attr store1 < 127.308083947 and attr store1 > 126.508083947 ) or bondedto (attr store1 < 31.8226386844 and attr store1 > 31.0226386844 ))) 6 0.1 0.1 peak 2517 volume 11.46177 ppm1 3.036 ppm2 3.617 ! ############### C13_CNnoesy_manual.2518 folded - assi (attr store1 < 2.707 and attr store1 > 2.607 ) ((attr store1 < 3.067 and attr store1 > 3.007 ) and (bondedto (attr store1 < 127.328083947 and attr store1 > 126.528083947 ) or bondedto (attr store1 < 31.8426386844 and attr store1 > 31.0426386844 ))) 6 0.1 0.1 peak 2518 volume 82.08795 ppm1 3.037 ppm2 2.657 ! ############### C13_CNnoesy_manual.2519 folded - assi (attr store1 < 2.352 and attr store1 > 2.252 ) ((attr store1 < 3.069 and attr store1 > 3.009 ) and (bondedto (attr store1 < 127.286083947 and attr store1 > 126.486083947 ) or bondedto (attr store1 < 31.8006386844 and attr store1 > 31.0006386844 ))) 6 0.1 0.1 peak 2519 volume 18.13069 ppm1 3.039 ppm2 2.302 ! ############### C13_CNnoesy_manual.2520 folded - assi (attr store1 < 4.556 and attr store1 > 4.456 ) ((attr store1 < 2.686 and attr store1 > 2.626 ) and (bondedto (attr store1 < 127.302083947 and attr store1 > 126.502083947 ) or bondedto (attr store1 < 31.8166386844 and attr store1 > 31.0166386844 ))) 6 0.1 0.1 peak 2520 volume 17.47114 ppm1 2.656 ppm2 4.506 ! ############### C13_CNnoesy_manual.2521 folded - assi (attr store1 < 3.087 and attr store1 > 2.987 ) ((attr store1 < 2.689 and attr store1 > 2.629 ) and (bondedto (attr store1 < 127.318083947 and attr store1 > 126.518083947 ) or bondedto (attr store1 < 31.8326386844 and attr store1 > 31.0326386844 ))) 6 0.1 0.1 peak 2521 volume 75.00663 ppm1 2.659 ppm2 3.037 ! ############### C13_CNnoesy_manual.2522 folded - assi (attr store1 < 2.709 and attr store1 > 2.609 ) ((attr store1 < 2.688 and attr store1 > 2.628 ) and (bondedto (attr store1 < 127.318083947 and attr store1 > 126.518083947 ) or bondedto (attr store1 < 31.8326386844 and attr store1 > 31.0326386844 ))) 6 0.1 0.1 peak 2522 volume 81.91981 ppm1 2.658 ppm2 2.659 ! ############### C13_CNnoesy_manual.2523 folded - assi (attr store1 < 7.266 and attr store1 > 7.166 ) ((attr store1 < 2.681 and attr store1 > 2.621 ) and (bondedto (attr store1 < 127.302083947 and attr store1 > 126.502083947 ) or bondedto (attr store1 < 31.8166386844 and attr store1 > 31.0166386844 ))) 6 0.1 0.1 peak 2523 volume 9.58133 ppm1 2.651 ppm2 7.216 ! ############### C13_CNnoesy_manual.2524 folded + assi (attr store1 < 8.377 and attr store1 > 8.277 ) ((attr store1 < 4.462 and attr store1 > 4.402 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2524 volume 16.15688 ppm1 4.432 ppm2 8.327 ! ############### C13_CNnoesy_manual.2525 folded + assi (attr store1 < 1.736 and attr store1 > 1.636 ) ((attr store1 < 4.464 and attr store1 > 4.404 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2525 volume 69.46514 ppm1 4.434 ppm2 1.686 ! ############### C13_CNnoesy_manual.2526 folded + assi (attr store1 < 1.004 and attr store1 > 0.904 ) ((attr store1 < 4.463 and attr store1 > 4.403 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2526 volume 69.16898 ppm1 4.433 ppm2 0.954 ! ############### C13_CNnoesy_manual.2527 folded + assi (attr store1 < 0.803 and attr store1 > 0.703 ) ((attr store1 < 4.298 and attr store1 > 4.238 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2527 volume 8.99215 ppm1 4.268 ppm2 0.753 ! ############### C13_CNnoesy_manual.2528 folded + assi (attr store1 < 7.741 and attr store1 > 7.641 ) ((attr store1 < 4.215 and attr store1 > 4.155 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2528 volume 9.86886 ppm1 4.185 ppm2 7.691 ! ############### C13_CNnoesy_manual.2529 folded + assi (attr store1 < 1.42 and attr store1 > 1.32 ) ((attr store1 < 4.21 and attr store1 > 4.15 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2529 volume 45.00376 ppm1 4.180 ppm2 1.370 ! ############### C13_CNnoesy_manual.2530 folded + assi (attr store1 < 8.729 and attr store1 > 8.629 ) ((attr store1 < 4.085 and attr store1 > 4.025 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2530 volume 9.30649 ppm1 4.055 ppm2 8.679 ! ############### C13_CNnoesy_manual.2531 folded + assi (attr store1 < 8.465 and attr store1 > 8.365 ) ((attr store1 < 4.083 and attr store1 > 4.023 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2531 volume 7.72279 ppm1 4.053 ppm2 8.415 ! ############### C13_CNnoesy_manual.2532 folded + assi (attr store1 < 8.076 and attr store1 > 7.976 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2532 volume 22.73598 ppm1 4.056 ppm2 8.026 ! ############### C13_CNnoesy_manual.2533 folded + assi (attr store1 < 7.786 and attr store1 > 7.686 ) ((attr store1 < 4.085 and attr store1 > 4.025 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2533 volume 34.26838 ppm1 4.055 ppm2 7.736 ! ############### C13_CNnoesy_manual.2534 folded + assi (attr store1 < 1.585 and attr store1 > 1.485 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2534 volume 152.04166 ppm1 4.056 ppm2 1.535 ! ############### C13_CNnoesy_manual.2535 folded + assi (attr store1 < 1.417 and attr store1 > 1.317 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2535 volume 20.97102 ppm1 4.056 ppm2 1.367 ! ############### C13_CNnoesy_manual.2536 folded + assi (attr store1 < 0.956 and attr store1 > 0.856 ) ((attr store1 < 4.087 and attr store1 > 4.027 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2536 volume 28.07424 ppm1 4.057 ppm2 0.906 ! ############### C13_CNnoesy_manual.2537 folded + assi (attr store1 < 0.803 and attr store1 > 0.703 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2537 volume 55.42472 ppm1 4.056 ppm2 0.753 ! ############### C13_CNnoesy_manual.2538 folded + assi (attr store1 < 7.907 and attr store1 > 7.807 ) ((attr store1 < 3.818 and attr store1 > 3.758 ) and (bondedto (attr store1 < 103.331722631 and attr store1 > 102.531722631 ) or bondedto (attr store1 < 55.589 and attr store1 > 54.789 ) or bondedto (attr store1 < 7.8462773688 and attr store1 > 7.0462773688 ))) 6 0.1 0.1 peak 2538 volume 7.83531 ppm1 3.788 ppm2 7.857 ! ############### C13_CNnoesy_manual.2539 folded - assi (attr store1 < 3.061 and attr store1 > 2.961 ) ((attr store1 < 3.324 and attr store1 > 3.264 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2539 volume 42.51442 ppm1 3.294 ppm2 3.011 ! ############### C13_CNnoesy_manual.2540 folded - assi (attr store1 < 3.283 and attr store1 > 3.183 ) ((attr store1 < 3.27 and attr store1 > 3.21 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2540 volume 665.79236 ppm1 3.240 ppm2 3.233 ! ############### C13_CNnoesy_manual.2541 folded - assi (attr store1 < 4.564 and attr store1 > 4.464 ) ((attr store1 < 3.058 and attr store1 > 2.998 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2541 volume 31.93848 ppm1 3.028 ppm2 4.514 ! ############### C13_CNnoesy_manual.2542 folded - assi (attr store1 < 3.333 and attr store1 > 3.233 ) ((attr store1 < 3.037 and attr store1 > 2.977 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2542 volume 41.75373 ppm1 3.007 ppm2 3.283 ! ############### C13_CNnoesy_manual.2543 folded - assi (attr store1 < 8.197 and attr store1 > 8.097 ) ((attr store1 < 2.29 and attr store1 > 2.23 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2543 volume 9.07133 ppm1 2.260 ppm2 8.147 ! ############### C13_CNnoesy_manual.2544 folded - assi (attr store1 < 7.832 and attr store1 > 7.732 ) ((attr store1 < 2.286 and attr store1 > 2.226 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2544 volume 11.51704 ppm1 2.256 ppm2 7.782 ! ############### C13_CNnoesy_manual.2545 folded - assi (attr store1 < 7.688 and attr store1 > 7.588 ) ((attr store1 < 2.291 and attr store1 > 2.231 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2545 volume 6.52145 ppm1 2.261 ppm2 7.638 ! ############### C13_CNnoesy_manual.2546 folded - assi (attr store1 < 7.728 and attr store1 > 7.628 ) ((attr store1 < 2.203 and attr store1 > 2.143 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2546 volume 12.67339 ppm1 2.173 ppm2 7.678 ! ############### C13_CNnoesy_manual.2547 folded - assi (attr store1 < 4.233 and attr store1 > 4.133 ) ((attr store1 < 1.732 and attr store1 > 1.672 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2547 volume 22.93749 ppm1 1.702 ppm2 4.183 ! ############### C13_CNnoesy_manual.2548 folded - assi (attr store1 < 3.061 and attr store1 > 2.961 ) ((attr store1 < 1.727 and attr store1 > 1.667 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2548 volume 19.49335 ppm1 1.697 ppm2 3.011 ! ############### C13_CNnoesy_manual.2549 folded - assi (attr store1 < 1.385 and attr store1 > 1.285 ) ((attr store1 < 1.725 and attr store1 > 1.665 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2549 volume 82.76114 ppm1 1.695 ppm2 1.335 ! ############### C13_CNnoesy_manual.2550 folded - assi (attr store1 < 0.353 and attr store1 > 0.253 ) ((attr store1 < 1.729 and attr store1 > 1.669 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2550 volume 12.25877 ppm1 1.699 ppm2 0.303 ! ############### C13_CNnoesy_manual.2551 folded - assi (attr store1 < 0.877 and attr store1 > 0.777 ) ((attr store1 < 1.718 and attr store1 > 1.658 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2551 volume 13.89246 ppm1 1.688 ppm2 0.827 ! ############### C13_CNnoesy_manual.2552 folded - assi (attr store1 < 1.588 and attr store1 > 1.488 ) ((attr store1 < 1.584 and attr store1 > 1.524 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2552 volume 91.95203 ppm1 1.554 ppm2 1.538 ! ############### C13_CNnoesy_manual.2553 folded - assi (attr store1 < 4.235 and attr store1 > 4.135 ) ((attr store1 < 1.361 and attr store1 > 1.301 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2553 volume 28.31523 ppm1 1.331 ppm2 4.185 ! ############### C13_CNnoesy_manual.2554 folded - assi (attr store1 < 3.703 and attr store1 > 3.603 ) ((attr store1 < 1.358 and attr store1 > 1.298 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2554 volume 18.44768 ppm1 1.328 ppm2 3.653 ! ############### C13_CNnoesy_manual.2555 folded - assi (attr store1 < 3.069 and attr store1 > 2.969 ) ((attr store1 < 1.362 and attr store1 > 1.302 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2555 volume 13.8102 ppm1 1.332 ppm2 3.019 ! ############### C13_CNnoesy_manual.2556 folded - assi (attr store1 < 1.747 and attr store1 > 1.647 ) ((attr store1 < 1.363 and attr store1 > 1.303 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2556 volume 92.61927 ppm1 1.333 ppm2 1.697 ! ############### C13_CNnoesy_manual.2557 folded - assi (attr store1 < 1.367 and attr store1 > 1.267 ) ((attr store1 < 1.36 and attr store1 > 1.3 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2557 volume 201.80113 ppm1 1.330 ppm2 1.317 ! ############### C13_CNnoesy_manual.2558 folded - assi (attr store1 < 0.9 and attr store1 > 0.8 ) ((attr store1 < 1.365 and attr store1 > 1.305 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2558 volume 15.36786 ppm1 1.335 ppm2 0.850 ! ############### C13_CNnoesy_manual.2559 folded - assi (attr store1 < 2.304 and attr store1 > 2.204 ) ((attr store1 < 1.352 and attr store1 > 1.292 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2559 volume 7.0268 ppm1 1.322 ppm2 2.254 ! ############### C13_CNnoesy_manual.2560 folded - assi (attr store1 < 0.353 and attr store1 > 0.253 ) ((attr store1 < 1.357 and attr store1 > 1.297 ) and (bondedto (attr store1 < 127.203083947 and attr store1 > 126.403083947 ) or bondedto (attr store1 < 31.7176386844 and attr store1 > 30.9176386844 ))) 6 0.1 0.1 peak 2560 volume 15.76186 ppm1 1.327 ppm2 0.303 ! ############### C13_CNnoesy_manual.2561 folded - assi (attr store1 < 0.991 and attr store1 > 0.891 ) ((attr store1 < 5.501 and attr store1 > 5.441 ) and (bondedto (attr store1 < 149.768083947 and attr store1 > 148.968083947 ) or bondedto (attr store1 < 54.2826386844 and attr store1 > 53.4826386844 ))) 6 0.1 0.1 peak 2561 volume 10.60124 ppm1 5.471 ppm2 0.941 ! ############### C13_CNnoesy_manual.2562 folded - assi (attr store1 < 2.481 and attr store1 > 2.381 ) ((attr store1 < 5.494 and attr store1 > 5.434 ) and (bondedto (attr store1 < 149.768083947 and attr store1 > 148.968083947 ) or bondedto (attr store1 < 54.2826386844 and attr store1 > 53.4826386844 ))) 6 0.1 0.1 peak 2562 volume 15.72667 ppm1 5.464 ppm2 2.431 ! ############### C13_CNnoesy_manual.2563 folded - assi (attr store1 < 3.037 and attr store1 > 2.937 ) ((attr store1 < 5.495 and attr store1 > 5.435 ) and (bondedto (attr store1 < 149.768083947 and attr store1 > 148.968083947 ) or bondedto (attr store1 < 54.2826386844 and attr store1 > 53.4826386844 ))) 6 0.1 0.1 peak 2563 volume 30.86374 ppm1 5.465 ppm2 2.987 ! ############### C13_CNnoesy_manual.2564 folded - assi (attr store1 < 5.517 and attr store1 > 5.417 ) ((attr store1 < 5.498 and attr store1 > 5.438 ) and (bondedto (attr store1 < 149.768083947 and attr store1 > 148.968083947 ) or bondedto (attr store1 < 54.2826386844 and attr store1 > 53.4826386844 ))) 6 0.1 0.1 peak 2564 volume 244.00186 ppm1 5.468 ppm2 5.467 ! ############### C13_CNnoesy_manual.2565 folded - assi (attr store1 < 7.68 and attr store1 > 7.58 ) ((attr store1 < 5.498 and attr store1 > 5.438 ) and (bondedto (attr store1 < 149.768083947 and attr store1 > 148.968083947 ) or bondedto (attr store1 < 54.2826386844 and attr store1 > 53.4826386844 ))) 6 0.1 0.1 peak 2565 volume 9.80772 ppm1 5.468 ppm2 7.630 ! ############### C13_CNnoesy_manual.2566 folded - assi (attr store1 < 8.229 and attr store1 > 8.129 ) ((attr store1 < 5.498 and attr store1 > 5.438 ) and (bondedto (attr store1 < 149.768083947 and attr store1 > 148.968083947 ) or bondedto (attr store1 < 54.2826386844 and attr store1 > 53.4826386844 ))) 6 0.1 0.1 peak 2566 volume 24.82482 ppm1 5.468 ppm2 8.179 ! ############### C13_CNnoesy_manual.2567 folded - assi (attr store1 < 8.708 and attr store1 > 8.608 ) ((attr store1 < 5.5 and attr store1 > 5.44 ) and (bondedto (attr store1 < 149.768083947 and attr store1 > 148.968083947 ) or bondedto (attr store1 < 54.2826386844 and attr store1 > 53.4826386844 ))) 6 0.1 0.1 peak 2567 volume 8.55475 ppm1 5.470 ppm2 8.658 ! ############### C13_CNnoesy_manual.2568 folded + assi (attr store1 < 3.341 and attr store1 > 3.241 ) ((attr store1 < 3.329 and attr store1 > 3.269 ) and (bondedto (attr store1 < 126.269722631 and attr store1 > 125.469722631 ) or bondedto (attr store1 < 78.527 and attr store1 > 77.727 ) or bondedto (attr store1 < 30.7842773688 and attr store1 > 29.9842773688 ))) 6 0.1 0.1 peak 2568 volume 11.76315 ppm1 3.299 ppm2 3.291 ! ############### C13_CNnoesy_manual.2569 folded + assi (attr store1 < 4.874 and attr store1 > 4.774 ) ((attr store1 < 1.012 and attr store1 > 0.952 ) and (bondedto (attr store1 < 121.048722631 and attr store1 > 120.248722631 ) or bondedto (attr store1 < 73.306 and attr store1 > 72.506 ) or bondedto (attr store1 < 25.5632773688 and attr store1 > 24.7632773688 ))) 6 0.1 0.1 peak 2569 volume 58.68157 ppm1 0.982 ppm2 4.824 ! ############### C13_CNnoesy_manual.2570 folded + assi (attr store1 < 3.507 and attr store1 > 3.407 ) ((attr store1 < 7.752 and attr store1 > 7.692 ) and (bondedto (attr store1 < 121.234722631 and attr store1 > 120.434722631 ) or bondedto (attr store1 < 73.492 and attr store1 > 72.692 ) or bondedto (attr store1 < 25.7492773688 and attr store1 > 24.9492773688 ))) 6 0.1 0.1 peak 2570 volume 13.92209 ppm1 7.722 ppm2 3.457 ! ############### C13_CNnoesy_manual.2571 folded + assi (attr store1 < 1.052 and attr store1 > 0.952 ) ((attr store1 < 7.754 and attr store1 > 7.694 ) and (bondedto (attr store1 < 121.234722631 and attr store1 > 120.434722631 ) or bondedto (attr store1 < 73.492 and attr store1 > 72.692 ) or bondedto (attr store1 < 25.7492773688 and attr store1 > 24.9492773688 ))) 6 0.1 0.1 peak 2571 volume 5.66453 ppm1 7.724 ppm2 1.002 ! ############### C13_CNnoesy_manual.2573 folded - assi (attr store1 < 1.538 and attr store1 > 1.438 ) ((attr store1 < 3.327 and attr store1 > 3.267 ) and (bondedto (attr store1 < 134.569083947 and attr store1 > 133.769083947 ) or bondedto (attr store1 < 39.0836386844 and attr store1 > 38.2836386844 ))) 6 0.1 0.1 peak 2573 volume 9.26558 ppm1 3.297 ppm2 1.488 ! ############### C13_CNnoesy_manual.2575 folded + assi (attr store1 < 0.798 and attr store1 > 0.698 ) ((attr store1 < 2.33 and attr store1 > 2.27 ) and (bondedto (attr store1 < 123.938722631 and attr store1 > 123.138722631 ) or bondedto (attr store1 < 76.196 and attr store1 > 75.396 ) or bondedto (attr store1 < 28.4532773688 and attr store1 > 27.6532773688 ))) 6 0.1 0.1 peak 2575 volume 7.56597 ppm1 2.300 ppm2 0.748 ! ############### C13_CNnoesy_manual.2576 folded + assi (attr store1 < 0.137 and attr store1 > 0.037 ) ((attr store1 < 0.819 and attr store1 > 0.759 ) and (bondedto (attr store1 < 122.726722631 and attr store1 > 121.926722631 ) or bondedto (attr store1 < 74.984 and attr store1 > 74.184 ) or bondedto (attr store1 < 27.2412773688 and attr store1 > 26.4412773688 ))) 6 0.1 0.1 peak 2576 volume 7.51183 ppm1 0.789 ppm2 0.087 ! ############### C13_CNnoesy_manual.2577 folded + assi (attr store1 < 0.141 and attr store1 > 0.041 ) ((attr store1 < 4.113 and attr store1 > 4.053 ) and (bondedto (attr store1 < 105.942722631 and attr store1 > 105.142722631 ) or bondedto (attr store1 < 58.2 and attr store1 > 57.4 ) or bondedto (attr store1 < 10.4572773688 and attr store1 > 9.6572773688 ))) 6 0.1 0.1 peak 2577 volume 9.94642 ppm1 4.083 ppm2 0.091 ! ############### C13_CNnoesy_manual.2582 folded - assi (attr store1 < 1.536 and attr store1 > 1.436 ) ((attr store1 < 3.074 and attr store1 > 3.014 ) and (bondedto (attr store1 < 134.476083947 and attr store1 > 133.676083947 ) or bondedto (attr store1 < 38.9906386844 and attr store1 > 38.1906386844 ))) 6 0.1 0.1 peak 2582 volume 5.72997 ppm1 3.044 ppm2 1.486 ! ############### C13_CNnoesy_manual.2583 folded + assi (attr store1 < 0.147 and attr store1 > 0.047 ) ((attr store1 < 0.895 and attr store1 > 0.835 ) and (bondedto (attr store1 < 112.749722631 and attr store1 > 111.949722631 ) or bondedto (attr store1 < 65.007 and attr store1 > 64.207 ) or bondedto (attr store1 < 17.2642773688 and attr store1 > 16.4642773688 ))) 6 0.1 0.1 peak 2583 volume 10.69446 ppm1 0.865 ppm2 0.097 ! ############### C13_CNnoesy_manual.2584 folded + assi (attr store1 < 1.153 and attr store1 > 1.053 ) ((attr store1 < 0.779 and attr store1 > 0.719 ) and (bondedto (attr store1 < 106.128722631 and attr store1 > 105.328722631 ) or bondedto (attr store1 < 58.386 and attr store1 > 57.586 ) or bondedto (attr store1 < 10.6432773688 and attr store1 > 9.8432773688 ))) 6 0.1 0.1 peak 2584 volume 115.16804 ppm1 0.749 ppm2 1.103 ! ############### C13_CNnoesy_manual.2585 folded + assi (attr store1 < 4.142 and attr store1 > 4.042 ) ((attr store1 < 0.667 and attr store1 > 0.607 ) and (bondedto (attr store1 < 123.565722631 and attr store1 > 122.765722631 ) or bondedto (attr store1 < 75.823 and attr store1 > 75.023 ) or bondedto (attr store1 < 28.0802773688 and attr store1 > 27.2802773688 ))) 6 0.1 0.1 peak 2585 volume 14.29373 ppm1 0.637 ppm2 4.092 ! ############### C13_CNnoesy_manual.2596 folded - assi (attr store1 < 10.303 and attr store1 > 10.203 ) ((attr store1 < 7.486 and attr store1 > 7.426 ) and (bondedto (attr store1 < 127.949083947 and attr store1 > 127.149083947 ) or bondedto (attr store1 < 32.4636386844 and attr store1 > 31.6636386844 ))) 6 0.1 0.1 peak 2596 volume 9.60846 ppm1 7.456 ppm2 10.253 ! ############### C13_CNnoesy_manual.2599 folded + assi (attr store1 < 1.057 and attr store1 > 0.957 ) ((attr store1 < 3.496 and attr store1 > 3.436 ) and (bondedto (attr store1 < 124.777722631 and attr store1 > 123.977722631 ) or bondedto (attr store1 < 77.035 and attr store1 > 76.235 ) or bondedto (attr store1 < 29.2922773688 and attr store1 > 28.4922773688 ))) 6 0.1 0.1 peak 2599 volume 6.81400 ppm1 3.466 ppm2 1.007 ! ############### C13_CNnoesy_manual.2600 folded + assi (attr store1 < 7.331 and attr store1 > 7.231 ) ((attr store1 < 0.943 and attr store1 > 0.883 ) and (bondedto (attr store1 < 109.951722631 and attr store1 > 109.151722631 ) or bondedto (attr store1 < 62.209 and attr store1 > 61.409 ) or bondedto (attr store1 < 14.4662773688 and attr store1 > 13.6662773688 ))) 6 0.1 0.1 peak 2600 volume 9.53327 ppm1 0.913 ppm2 7.281 ! ############### C13_CNnoesy_manual.2601 folded - assi (attr store1 < 0.887 and attr store1 > 0.787 ) ((attr store1 < 3.629 and attr store1 > 3.569 ) and (bondedto (attr store1 < 147.064083947 and attr store1 > 146.264083947 ) or bondedto (attr store1 < 51.5786386844 and attr store1 > 50.7786386844 ))) 6 0.1 0.1 peak 2601 volume 6.05164 ppm1 3.599 ppm2 0.837 ! ############### C13_CNnoesy_manual.2602 folded - assi (attr store1 < 2.714 and attr store1 > 2.614 ) ((attr store1 < 3.629 and attr store1 > 3.569 ) and (bondedto (attr store1 < 147.064083947 and attr store1 > 146.264083947 ) or bondedto (attr store1 < 51.5786386844 and attr store1 > 50.7786386844 ))) 6 0.1 0.1 peak 2602 volume 6.81451 ppm1 3.599 ppm2 2.664 ! ############### C13_CNnoesy_manual.2606 folded + assi (attr store1 < 3.684 and attr store1 > 3.584 ) ((attr store1 < 4.675 and attr store1 > 4.615 ) and (bondedto (attr store1 < 110.417722631 and attr store1 > 109.617722631 ) or bondedto (attr store1 < 62.675 and attr store1 > 61.875 ) or bondedto (attr store1 < 14.9322773688 and attr store1 > 14.1322773688 ))) 6 0.1 0.1 peak 2606 volume 8.55415 ppm1 4.645 ppm2 3.634 ! ############### C13_CNnoesy_manual.2607 folded + assi (attr store1 < 4.245 and attr store1 > 4.145 ) ((attr store1 < 4.674 and attr store1 > 4.614 ) and (bondedto (attr store1 < 110.417722631 and attr store1 > 109.617722631 ) or bondedto (attr store1 < 62.675 and attr store1 > 61.875 ) or bondedto (attr store1 < 14.9322773688 and attr store1 > 14.1322773688 ))) 6 0.1 0.1 peak 2607 volume 8.70938 ppm1 4.644 ppm2 4.195 ! ############### C13_CNnoesy_manual.2618 folded + assi (attr store1 < 1.405 and attr store1 > 1.305 ) ((attr store1 < 4.162 and attr store1 > 4.102 ) and (bondedto (attr store1 < 109.298722631 and attr store1 > 108.498722631 ) or bondedto (attr store1 < 61.556 and attr store1 > 60.756 ) or bondedto (attr store1 < 13.8132773688 and attr store1 > 13.0132773688 ))) 6 0.1 0.1 peak 2618 volume 15.76746 ppm1 4.132 ppm2 1.355 ! ############### C13_CNnoesy_manual.2623 folded - assi (attr store1 < 7.787 and attr store1 > 7.687 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2623 volume 34.26219 ppm1 4.056 ppm2 7.737 ! ############### C13_CNnoesy_manual.2624 folded - assi (attr store1 < 8.069 and attr store1 > 7.969 ) ((attr store1 < 4.085 and attr store1 > 4.025 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2624 volume 12.99231 ppm1 4.055 ppm2 8.019 ! ############### C13_CNnoesy_manual.2625 folded - assi (attr store1 < 8.462 and attr store1 > 8.362 ) ((attr store1 < 4.081 and attr store1 > 4.021 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2625 volume 7.25981 ppm1 4.051 ppm2 8.412 ! ############### C13_CNnoesy_manual.2626 folded - assi (attr store1 < 8.735 and attr store1 > 8.635 ) ((attr store1 < 4.081 and attr store1 > 4.021 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2626 volume 6.87401 ppm1 4.051 ppm2 8.685 ! ############### C13_CNnoesy_manual.2627 folded - assi (attr store1 < 4.103 and attr store1 > 4.003 ) ((attr store1 < 4.085 and attr store1 > 4.025 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2627 volume 587.19708 ppm1 4.055 ppm2 4.053 ! ############### C13_CNnoesy_manual.2628 folded - assi (attr store1 < 2.051 and attr store1 > 1.951 ) ((attr store1 < 4.084 and attr store1 > 4.024 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2628 volume 8.13939 ppm1 4.054 ppm2 2.001 ! ############### C13_CNnoesy_manual.2629 folded - assi (attr store1 < 1.589 and attr store1 > 1.489 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2629 volume 146.38188 ppm1 4.056 ppm2 1.539 ! ############### C13_CNnoesy_manual.2630 folded - assi (attr store1 < 1.402 and attr store1 > 1.302 ) ((attr store1 < 4.084 and attr store1 > 4.024 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2630 volume 12.06683 ppm1 4.054 ppm2 1.352 ! ############### C13_CNnoesy_manual.2631 folded - assi (attr store1 < 0.958 and attr store1 > 0.858 ) ((attr store1 < 4.081 and attr store1 > 4.021 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2631 volume 23.297 ppm1 4.051 ppm2 0.908 ! ############### C13_CNnoesy_manual.2632 folded - assi (attr store1 < 0.802 and attr store1 > 0.702 ) ((attr store1 < 4.086 and attr store1 > 4.026 ) and (bondedto (attr store1 < 150.981083947 and attr store1 > 150.181083947 ) or bondedto (attr store1 < 55.4956386844 and attr store1 > 54.6956386844 ))) 6 0.1 0.1 peak 2632 volume 44.6441 ppm1 4.056 ppm2 0.752
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