ALA N Chemical Shift Outliers
Average chemical shift: 123.336
Standard deviation: 3.44
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 2573 | 46 | N | 136.8 | 1 |
| 4027 | 134 | N | 134.6 | 1 |
| 4042 | 37 | N | 138.97 | 1 |
| 4042 | 70 | N | 142.69 | 1 |
| 4070 | 70 | N | 134.7 | 1 |
| 4101 | 142 | N | 137.2 | 1 |
| 4101 | 185 | N | 134.0 | 1 |
| 4130 | 54 | N | 136.8 | |
| 4131 | 54 | N | 137.8 | |
| 4156 | 110 | N | 133.9 | 1 |
| 4217 | 79 | N | 133.77 | 1 |
| 4242 | 36 | N | 138.5 | 1 |
| 4242 | 71 | N | 134.00 | 1 |
| 4242 | 79 | N | 134.3 | 1 |
| 4265 | 23 | N | 133.66 | 1 |
| 4271 | 118 | N | 135.660 | 1 |
| 4299 | 3 | N | 133.78 | 1 |
| 4300 | 3 | N | 134.98 | 1 |
| 4300 | 6 | N | 134.31 | 1 |
| 4309 | 68 | N | 136.4 | 1 |
| 4309 | 81 | N | 134.3 | 1 |
| 4321 | 80 | N | 134.84 | 1 |
| 4395 | 94 | N | 134.5 | 1 |
| 4428 | 16 | N | 133.67 | |
| 4471 | 79 | N | 134.5 | 1 |
| 4602 | 54 | N | 136.3 | 1 |
| 4619 | 41 | N | 134.186 | |
| 4664 | 100 | N | 135.26 | 1 |
| 4704 | 170 | N | 135.800 | 1 |
| 4704 | 55 | N | 134.000 | 1 |
| 4770 | 162 | N | 137.22 | 1 |
| 4777 | 79 | N | 136.9 | 1 |
| 4778 | 162 | N | 137.04 | 1 |
| 4844 | 139 | N | 134.6 | 1 |
| 4901 | 109 | N | 134.61 | 1 |
| 4918 | 76 | N | 135.2 | 1 |
| 4930 | 10 | N | 133.85 | 1 |
| 4933 | 10 | N | 133.8 | 1 |
| 4964 | 37 | N | 134.4 | 1 |
| 4969 | 40 | N | 136.341 | 1 |
| 4983 | 46 | N | 134.61 | 1 |
| 4984 | 84 | N | 134.925 | 1 |
| 5005 | 90 | N | 139.50 | 1 |
| 5031 | 6 | N | 133.66 | 1 |
| 5065 | 67 | N | 133.93 | 1 |
| 5081 | 68 | N | 134.710 | 1 |
| 5117 | 24 | N | 135.341 | 1 |
| 5181 | 163 | N | 134.5 | 1 |
| 5181 | 75 | N | 133.9 | 1 |
| 5182 | 189 | N | 134.25 | 1 |
| 5182 | 63 | N | 133.93 | 1 |
| 5194 | 133 | N | 137.945 | 1 |
| 5209 | 162 | N | 134.87 | 1 |
| 5250 | 32 | N | 134.8 | 1 |
| 5304 | 23 | N | 155.14 | 1 |
| 5327 | 62 | N | 134.534 | 1 |
| 5338 | 41 | N | 135.393 | 1 |
| 5362 | 4 | N | 133.698 | 1 |
| 5382 | 161 | N | 133.92 | |
| 5500 | 51 | N | 133.876 | 1 |
| 5505 | 104 | N | 134.4 | 1 |
| 5505 | 53 | N | 134.8 | 1 |
| 5511 | 159 | N | 133.76 | 1 |
| 5514 | 110 | N | 142.81 | 1 |
| 5514 | 154 | N | 134.86 | 1 |
| 5514 | 179 | N | 135.83 | 1 |
| 5514 | 226 | N | 138.79 | 1 |
| 5514 | 37 | N | 141.34 | 1 |
| 5628 | 14 | N | 134.5 | 1 |
| 5692 | 35 | N | 134.69 | 1 |
| 5710 | 24 | N | 134.381 | 1 |
| 5793 | 138 | N | 136.31 | 1 |
| 5815 | 10 | N | 159.5 | 1 |
| 5815 | 16 | N | 217.9 | 1 |
| 5815 | 18 | N | 200 | 1 |
| 5815 | 25 | N | 175 | 1 |
| 5815 | 27 | N | 214.6 | 1 |
| 5815 | 35 | N | 192 | 1 |
| 5815 | 49 | N | 205.4 | 1 |
| 5815 | 7 | N | 179.4 | 1 |
| 5815 | 9 | N | 219.6 | 1 |
| 5858 | 105 | N | 133.7 | |
| 5858 | 54 | N | 134.0 | |
| 5877 | 11 | N | 162.8 | |
| 5877 | 21 | N | 210.2 | |
| 5877 | 29 | N | 181.8 | |
| 5877 | 34 | N | 192.1 | |
| 5877 | 36 | N | 208.7 | |
| 5877 | 46 | N | 201.1 | |
| 5877 | 7 | N | 171 | |
| 5887 | 91 | N | 134.4 | 1 |
| 5888 | 91 | N | 134.4 | 1 |
| 5942 | 11 | N | 133.661 | 1 |
| 5948 | 16 | N | 135.3 | 1 |
| 5948 | 48 | N | 135.6 | 1 |
| 5949 | 16 | N | 135.3 | 1 |
| 5949 | 48 | N | 135.3 | 1 |
| 5987 | 67 | N | 134.300 | 1 |
| 5998 | 40 | N | 134.6 | 1 |
| 6016 | 53 | N | 134.735 | 1 |
| 6026 | 51 | N | 148.4 | 1 |
| 6059 | 40 | N | 134.633 | |
| 6111 | 105 | N | 134.29 | 1 |
| 6128 | 70 | N | 134.6 | 1 |
| 6195 | 41 | N | 135.4 | |
| 6196 | 55 | N | 135.4 | |
| 6268 | 67 | N | 134.232 | 1 |
| 6304 | 75 | N | 139.516 | 1 |
| 6340 | 21 | N | 134.403 | 1 |
| 6342 | 85 | N | 134.30 | 1 |
| 6345 | 47 | N | 134.507 | |
| 6391 | 69 | N | 135.32 | 1 |
| 6416 | 143 | N | 136.78 | |
| 6416 | 295 | N | 133.66 | |
| 6443 | 147 | N | 136.2 | 1 |
| 6444 | 63 | N | 134.129 | |
| 6466 | 46 | N | 134.2 | 1 |
| 6514 | 98 | N | 134.0 | 1 |
| 6542 | 281 | N | 136.100 | 1 |
| 6620 | 195 | N | 135.654 | 1 |
| 6660 | 8 | N | 562 | 1 |
| 6661 | 8 | N | 482 | 1 |
| 6662 | 8 | N | 498 | 1 |
| 6663 | 8 | N | 766 | 1 |
| 6664 | 8 | N | 547 | 1 |
| 6671 | 44 | N | 626 | 1 |
| 6672 | 44 | N | 386 | 1 |
| 6995 | 152 | N | 134.02 | 1 |
| 6996 | 4 | N | 134.1 | 1 |
| 7009 | 56 | N | 134.169 | |
| 7089 | 68 | N | 134.120 | 1 |
| 7113 | 81 | N | 136.369 | 1 |
| 7113 | 98 | N | 134.558 | 1 |
| 7126 | 37 | N | 134.41 | 1 |
| 7140 | 106 | N | 133.822 | 1 |
| 7141 | 106 | N | 133.701 | 1 |
| 7231 | 192 | N | 135.332 | 1 |
| 7234 | 113 | N | 133.864 | 1 |
| 7235 | 113 | N | 134.731 | 1 |
| 7259 | 12 | N | 135.199 | 1 |
| 7286 | 144 | N | 135.524 | 1 |
| 10010 | 76 | N | 134 | 1 |
| 10032 | 37 | N | 135.197 | 1 |
| 10037 | 37 | N | 135.227 | 1 |
| 10053 | 119 | N | 134.80 | 1 |
| 10125 | 64 | N | 133.715 | 1 |
| 10137 | 48 | N | 133.818 | 1 |
| 10141 | 46 | N | 134.267 | 1 |
| 10159 | 61 | N | 134.382 | 1 |
| 10309 | 16 | N | 135.503 | 1 |
| 10327 | 30 | N | 135.312 | 1 |
| 10329 | 53 | N | 134.522 | 1 |
| 11062 | 48 | N | 133.796 | 1 |
| 11108 | 77 | N | 134.085 | 1 |
| 11109 | 88 | N | 134.057 | 1 |
| 11170 | 16 | N | 134.948 | 1 |
| 11186 | 53 | N | 134.854 | 1 |
| 11198 | 48 | N | 134.454 | 1 |
| 11210 | 38 | N | 134.230 | 1 |
| 11225 | 40 | N | 133.677 | 1 |
| 11226 | 34 | N | 134.465 | 1 |
| 11236 | 64 | N | 134.960 | 1 |
| 11323 | 19 | N | 133.706 | 1 |
| 11333 | 30 | N | 134.335 | 1 |
| 11346 | 24 | N | 133.675 | 1 |
| 11485 | 11 | N | 133.759 | 1 |
| 11505 | 46 | N | 133.975 | 1 |
| 11513 | 33 | N | 135.602 | 1 |
| 11514 | 28 | N | 135.602 | 1 |
| 11514 | 33 | N | 136.562 | 1 |
| 11530 | 48 | N | 134.843 | 1 |
| 11541 | 87 | N | 134.994 | 1 |
| 11590 | 49 | N | 134.417 | 1 |
| 11591 | 33 | N | 135.712 | 1 |
| 11592 | 33 | N | 136.843 | 1 |
| 15162 | 8 | N | 133.90 | 1 |
| 15207 | 115 | N | 134.224 | 1 |
| 15208 | 30 | N | 136.626 | 1 |
| 15248 | 167 | N | 134.938 | 1 |
| 15264 | 25 | N | 133.74 | 1 |
| 15322 | 167 | N | 133.950 | 1 |
| 15381 | 35 | N | 133.872 | 1 |
| 15467 | 113 | N | 135.191 | 1 |
| 15492 | 189 | N | 134.3 | 1 |
| 15492 | 63 | N | 134.1 | 1 |
| 15493 | 189 | N | 134.3 | 1 |
| 15493 | 63 | N | 134.0 | 1 |
| 15494 | 189 | N | 134.3 | 1 |
| 15494 | 63 | N | 134.0 | 1 |
| 15495 | 189 | N | 134.3 | 1 |
| 15495 | 63 | N | 134.0 | 1 |
| 15496 | 189 | N | 133.7 | 1 |
| 15496 | 63 | N | 135.6 | 1 |
| 15505 | 168 | N | 134.2493 | 1 |
| 15557 | 66 | N | 134.2 | 1 |
| 15560 | 132 | N | 134.74 | 1 |
| 15564 | 79 | N | 133.921 | 1 |
| 15578 | 63 | N | 134.082 | 1 |
| 15627 | 22 | N | 134.852 | 1 |
| 15700 | 31 | N | 133.864 | 1 |
| 15741 | 128 | N | 134.686 | 1 |
| 15881 | 16 | N | 135.491 | 1 |
| 15924 | 65 | N | 135.415 | 1 |
| 15962 | 69 | N | 135.59 | 1 |
| 15963 | 69 | N | 135.58 | 1 |
| 16014 | 67 | N | 133.983 | |
| 16025 | 44 | N | 133.819 | 1 |
| 16042 | 131 | N | 134.049 | 1 |
| 16046 | 131 | N | 133.893 | 1 |
| 16047 | 131 | N | 134.049 | 1 |
| 16048 | 131 | N | 134.009 | 1 |
| 16049 | 131 | N | 134.009 | 1 |
| 16063 | 39 | N | 133.9300 | 1 |
| 16096 | 18 | N | 133.912 | 1 |
| 16144 | 154 | N | 133.9 | 1 |
| 16144 | 160 | N | 137.9 | 1 |
| 16258 | 120 | N | 134.119 | 1 |
| 16338 | 55 | N | 133.9 | 1 |
| 16347 | 129 | N | 135.11 | 1 |
| 16403 | 38 | N | 134.980 | 1 |
| 16409 | 113 | N | 133.694 | 1 |
| 16442 | 21 | N | 134.450 | 1 |
| 16611 | 72 | N | 139.354 | 1 |
| 16634 | 132 | N | 135.06 | 1 |
| 16668 | 161 | N | 134.190 | 1 |
| 16682 | 100 | N | 134.0 | 1 |
| 16684 | 37 | N | 134.185565460000 | 1 |
| 16685 | 82 | N | 133.969 | 1 |
| 16731 | 10 | N | 133.985 | 1 |
| 16772 | 122 | N | 134.029 | 1 |
| 16773 | 122 | N | 134.029 | 1 |
| 16874 | 46 | N | 133.889 | 1 |
| 16881 | 12 | N | 136.9 | 1 |
| 16902 | 312 | N | 134.688 | 1 |
| 16984 | 143 | N | 133.950 | 1 |
| 17007 | 96 | N | 136.057 | 1 |
| 17064 | 68 | N | 134.2 | 1 |
| 17160 | 149 | N | 133.8 | 1 |
| 17237 | 17 | N | 133.697 | 1 |
| 17250 | 12 | N | 134.2 | 1 |
| 17371 | 26 | N | 134.692 | 1 |
| 17414 | 132 | N | 134.824 | 1 |
| 17496 | 96 | N | 134.818 | 1 |
| 17507 | 11 | N | 134.60 | 1 |
| 17507 | 86 | N | 134.25 | 1 |
| 17515 | 30 | N | 136.0680 | 1 |
| 17549 | 20 | N | 134.820 | 1 |
| 17577 | 100 | N | 134.4 | 1 |
| 17592 | 114 | N | 136.000 | 1 |
| 17597 | 63 | N | 134.6 | 1 |
| 17607 | 83 | N | 136.1520 | 1 |
| 17688 | 11 | N | 134.086 | 1 |
| 17722 | 56 | N | 134.034 | |
| 17793 | 42 | N | 134.90 | 1 |
| 17794 | 42 | N | 136.00 | 1 |
| 17838 | 133 | N | 137.83 | 1 |
| 17845 | 86 | N | 138.99 | 1 |
| 17845 | 86 | N | 139.06 | 1 |
| 17846 | 86 | N | 135.37 | 1 |
| 17846 | 86 | N | 135.43 | 1 |
| 17944 | 14 | N | 135.8 | 1 |
| 17953 | 195 | N | 135.573 | 1 |
| 17963 | 16 | N | 135.341 | 1 |
| 18001 | 33 | N | 134.6 | 1 |
| 18003 | 100 | N | 134.4440 | 1 |
| 18005 | 31 | N | 133.971 | 1 |
| 18007 | 31 | N | 133.957 | 1 |
| 18142 | 28 | N | 134.201 | 1 |
| 18193 | 24 | N | 134.415 | 1 |
| 18193 | 24 | N | 134.474 | 1 |
| 18193 | 24 | N | 134.513 | 1 |
| 18200 | 113 | N | 136.878 | 1 |
| 18245 | 130 | N | 137.532 | 1 |
| 18246 | 130 | N | 137.909 | 1 |
| 18380 | 20 | N | 133.928 | 1 |
| 18473 | 48 | N | 133.872 | 1 |
| 18479 | 146 | N | 135.380 | 1 |
| 18516 | 43 | N | 134.662 | 1 |
| 18595 | 68 | N | 134.236 | 1 |
| 18603 | 134 | N | 134.557 | 1 |
| 18610 | 46 | N | 135.359 | 1 |
| 18650 | 67 | N | 133.846 | |
| 18665 | 37 | N | 134.631 | 1 |
| 18666 | 37 | N | 134.761 | 1 |
| 18679 | 66 | N | 133.816 | 1 |
| 18741 | 133 | N | 135.138 | 1 |
| 18749 | 21 | N | 135.406 | 1 |
| 18798 | 165 | N | 136.108 | 1 |
| 18799 | 165 | N | 136.222 | 1 |
| 18800 | 165 | N | 136.295 | 1 |
| 18837 | 54 | N | 136.529 | 1 |
| 18845 | 81 | N | 134.370 | 1 |
| 18846 | 81 | N | 134.842 | 1 |
| 18896 | 27 | N | 134.254 | 1 |
| 18896 | 31 | N | 134.726 | 1 |
| 18900 | 26 | N | 133.889 | 1 |
| 18911 | 26 | N | 133.832 | 1 |
| 18989 | 14 | N | 136.6 | 1 |
| 19004 | 8 | N | 135.58 | 1 |
| 19005 | 14 | N | 135.53 | 1 |
| 19051 | 66 | N | 135.825 | 1 |
| 19066 | 119 | N | 134.651 | 1 |
| 19075 | 8 | N | 135.63 | 1 |
| 19076 | 14 | N | 135.48 | 1 |
| 19143 | 126 | N | 134.9000 | 1 |
| 19182 | 77 | N | 137.494 | 1 |
| 19208 | 281 | N | 138.006 | 1 |
| 19213 | 127 | N | 135.281 | 1 |
| 19213 | 82 | N | 133.952 | 1 |
| 19214 | 127 | N | 136.582 | 1 |
| 19254 | 119 | N | 134.67730 | |
| 19255 | 119 | N | 134.67730 | |
| 19256 | 119 | N | 134.63288 | |
| 19330 | 116 | N | 137.05 | 1 |
| 19430 | 10 | N | 188 | |
| 19430 | 24 | N | 197 | |
| 19490 | 50 | N | 135.518 | 1 |
| 19496 | 26 | N | 133.973 | 1 |
| 19544 | 41 | N | 133.705 | 1 |
| 19546 | 41 | N | 133.718 | 1 |
| 19549 | 41 | N | 133.718 | 1 |
| 19558 | 152 | N | 134.317 | 1 |
| 19605 | 27 | N | 134.373 | 1 |
| 19609 | 87 | N | 134.433 | 1 |
| 19653 | 81 | N | 134.549 | 1 |
| 19720 | 69 | N | 135.37 | |
| 19721 | 69 | N | 135.45 | |
| 19722 | 69 | N | 135.45 | |
| 19783 | 105 | N | 133.927 | 1 |
| 19807 | 18 | N | 133.743 | 1 |
| 19840 | 4 | N | 134.327 | 1 |
| 19841 | 4 | N | 134.190 | 1 |
| 19852 | 133 | N | 134.349 | 1 |
| 19854 | 133 | N | 134.349 | 1 |
| 19855 | 4 | N | 137.305 | 1 |
| 19855 | 6 | N | 136.914 | 1 |
| 19867 | 76 | N | 220.9 | |
| 19867 | 78 | N | 200.8 | |
| 19867 | 80 | N | 228.5 | |
| 19884 | 9 | N | 135.147 | 1 |
| 25059 | 72 | N | 133.925 | 1 |
| 25060 | 72 | N | 133.903 | 1 |
| 25123 | 46 | N | 135.683 | 1 |
| 25193 | 222 | N | 133.767 | 1 |
| 25194 | 125 | N | 134.144 | 1 |
| 25218 | 42 | N | 134.150 | 1 |
| 25230 | 48 | N | 135.791 | 1 |
| 25267 | 163 | N | 134.31 | 1 |
| 25267 | 51 | N | 136.12 | 1 |
| 25290 | 68 | N | 134.284 | 1 |
| 25338 | 192 | N | 134.222 | 1 |
| 25381 | 114 | N | 134.098 | 1 |
| 25442 | 11 | N | 422.649 | |
| 25442 | 33 | N | 421.894 | |
| 25442 | 5 | N | 424.918 | |
| 25551 | 8 | N | 135.39 | 1 |
| 25554 | 133 | N | 134.349 | 1 |
| 25576 | 86 | N | 139.307 | 1 |
| 25616 | 102 | N | 133.700 | 1 |
| 25674 | 154 | N | 134.390 | 1 |
| 25677 | 10 | N | 134.173 | 1 |
| 25690 | 128 | N | 133.6900 | 1 |
| 25711 | 150 | N | 133.969 | 1 |
| 25713 | 150 | N | 134.035 | 1 |
| 25713 | 150 | N | 134.043 | 1 |
| 25714 | 150 | N | 134.047 | 1 |
| 25715 | 150 | N | 133.775 | 1 |
| 25715 | 150 | N | 133.878 | 1 |
| 25761 | 27 | N | 134.206 | |
| 25761 | 32 | N | 133.865 | |
| 25789 | 45 | N | 135.414 | 1 |
| 25801 | 71 | N | 133.938 | 1 |
| 25859 | 68 | N | 134.120 | 1 |
| 25860 | 134 | N | 134.6 | 1 |
| 25861 | 134 | N | 134.6 | 1 |
| 25885 | 84 | N | 134.916 | 1 |
| 26054 | 7 | N | 136.8541 | 1 |
| 26307 | 42 | N | 134.900 | 1 |
| 26541 | 119 | N | 134.777 | 1 |
| 26564 | 108 | N | 133.903 | 1 |
| 26564 | 108 | N | 133.904 | 1 |
| 26564 | 50 | N | 133.701 | 1 |
| 26615 | 92 | N | 134.18 | 1 |
| 26615 | 92 | N | 134.63 | 1 |
| 26693 | 134 | N | 134.9 | 1 |
| 26746 | 263 | N | 133.79 | 1 |
| 26748 | 99 | N | 134.491 | 1 |
| 26753 | 22 | N | 133.854 | 1 |
| 26761 | 175 | N | 134.525 | |
| 26787 | 153 | N | 134.327 | 1 |
| 26805 | 168 | N | 137.333 | |
| 26857 | 81 | N | 134.115 | 1 |
| 26858 | 177 | N | 133.9 | 1 |
| 26927 | 127 | N | 135.315 | 1 |
| 26933 | 128 | N | 135.481 | 1 |
| 26936 | 39 | N | 136.931 | 1 |
| 26937 | 39 | N | 136.952 | 1 |
| 26952 | 116 | N | 133.816 | 1 |
| 26963 | 100 | N | 135.034 | 1 |
| 26963 | 128 | N | 133.728 | 1 |
| 27012 | 41 | N | 134.500 | 1 |
| 27013 | 41 | N | 134.524 | 1 |
| 27033 | 179 | N | 135.4740 | 1 |
| 27043 | 143 | N | 134.237 | 1 |
| 27078 | 60 | N | 135.8 | 1 |
| 27078 | 60 | N | 136.7 | 1 |
| 27082 | 104 | N | 134.330 | |
| 27159 | 169 | N | 135.162 | 1 |
| 27160 | 158 | N | 133.975 | 1 |
| 27192 | 158 | N | 134.490 | 1 |
| 27241 | 106 | N | 135.232 | 1 |
| 27282 | 128 | N | 134.679 | 1 |
| 27287 | 67 | N | 134.61 | 1 |
| 27298 | 106 | N | 135.198 | 1 |
| 27331 | 42 | N | 133.900 | |
| 27356 | 46 | N | 134.273 | 1 |
| 27381 | 46 | N | 134.797 | 1 |
| 27403 | 158 | N | 134.143 | 1 |
| 27536 | 17 | N | 134.8 | 1 |
| 27590 | 242 | N | 133.719 | 1 |
| 27602 | 30 | N | 140.636 | 1 |
| 27602 | 87 | N | 135.590 | 1 |
| 27672 | 263 | N | 133.67 | 1 |
| 27697 | 113 | N | 135.534 | 1 |
| 27729 | 159 | N | 135.109 | |
| 27768 | 151 | N | 133.842 | 1 |
| 27787 | 63 | N | 134.243 | 1 |
| 27838 | 109 | N | 134.144 | 1 |
| 27843 | 63 | N | 135.025 | 1 |
| 27876 | 167 | N | 133.913 | 1 |
| 27920 | 113 | N | 134.624 | 1 |
| 27943 | 11 | N | 134.328 | 1 |
| 27943 | 86 | N | 134.063 | 1 |
| 27947 | 107 | N | 134.240 | 1 |
| 27947 | 11 | N | 134.078 | 1 |
| 27947 | 86 | N | 134.058 | 1 |
| 28086 | 96 | N | 135.778 | 1 |
| 28088 | 102 | N | 134.294 | 1 |
| 28095 | 113 | N | 134.373 | 1 |
| 28096 | 113 | N | 134.378 | 1 |
| 28097 | 113 | N | 133.704 | 1 |
| 28103 | 16 | N | 133.818 | 1 |
| 30002 | 138 | N | 134.194 | 1 |
| 30030 | 9 | N | 133.659 | 1 |
| 30075 | 8 | N | 135.100 | 1 |
| 30094 | 66 | N | 133.801 | 1 |
| 30121 | 42 | N | 134.098 | |
| 30133 | 93 | N | 134.107 | 9 |
| 30161 | 12 | N | 134.535 | |
| 30234 | 46 | N | 133.953 | |
| 30234 | 46 | N | 134.427 | |
| 30322 | 154 | N | 136.282 | 1 |
| 30418 | 53 | N | 133.939 | |
| 30675 | 46 | N | 133.658 | 1 |
| 30677 | 133 | N | 133.9 | 1 |
| 30677 | 139 | N | 137.9 | 1 |
| 30854 | 8 | N | 134.218 | 1 |
| 30910 | 204 | N | 133.850 | |
| 30936 | 193 | N | 135.4190 | |
| 30936 | 42 | N | 135.9527 | |
| 30950 | 77 | N | 133.812 | 1 |
| 31104 | 14 | N | 224.5 | |
| 31104 | 24 | N | 224.5 | |
| 31104 | 28 | N | 215.3 | |
| 34007 | 19 | N | 135.621 | 1 |
| 34046 | 83 | N | 134.057 | 1 |
| 34338 | 19 | N | 134.638 | 1 |
| 34365 | 19 | N | 134.411 | |
| 34423 | 149 | N | 133.880 | |
| 34455 | 42 | N | 134.400 | 1 |
| 34456 | 42 | N | 134.400 | 1 |
| 34464 | 31 | N | 134.611 | 1 |
| 34471 | 101 | N | 133.816 | |
| 34472 | 102 | N | 133.816 | |
| 34492 | 98 | N | 135.616 | 1 |
| 34584 | 140 | N | 133.718 | 1 |
| 34607 | 67 | N | 134.447 | 1 |
| 34802 | 61 | N | 134.233 | |
| 36000 | 86 | N | 139.285 | 1 |
| 36008 | 86 | N | 139.301 | 1 |
| 36447 | 80 | N | 133.994 | 1 |
| 50124 | 54 | N | 134.6 | 1 |
| 50173 | 151 | N | 134.271 | 1 |
| 50174 | 151 | N | 134.573 | 1 |
| 50175 | 151 | N | 134.586 | 1 |
| 50176 | 151 | N | 134.573 | 1 |
| 50177 | 151 | N | 134.573 | 1 |
| 50356 | 140 | N | 133.718 | 1 |
| 50357 | 346 | N | 133.753 | 1 |
| 50361 | 102 | N | 133.921 | |
| 50574 | 42 | N | 136.001 | |
| 50602 | 122 | N | 133.88 | |
| 50603 | 44 | N | 133.839 | |
| 50626 | 126 | N | 133.759 | |
| 50627 | 131 | N | 133.911 | |
| 50650 | 98 | N | 134.754 | 1 |
| 50718 | 37 | N | 176.351 | |
| 50718 | 47 | N | 181.564 | |
| 50719 | 37 | N | 184.327 | |
| 50719 | 47 | N | 185.659 | |
| 50720 | 37 | N | 187.054 | |
| 50721 | 37 | N | 190.01 | |
| 50722 | 37 | N | 190.978 | |
| 50722 | 47 | N | 191.414 | |
| 50723 | 37 | N | 192.695 | |
| 50780 | 260 | N | 136.180 | 1 |
| 50808 | 40 | N | 137.049 | |
| 50852 | 56 | N | 134.144 | 1 |
| 50865 | 67 | N | 134.748 | 1 |
| 50867 | 67 | N | 134.705 | 1 |
| 50909 | 56 | N | 134.966 | 1 |
| 50945 | 108 | N | 134.335 | 1 |
| 51038 | 112 | N | 136.35 | 1 |
| 51160 | 72 | N | 135.107 | |
| 51162 | 72 | N | 135.087 | |
| 51223 | 38 | N | 135.555 | |
| 51224 | 38 | N | 135.684 | |
| 51306 | 38 | N | 135.277 | |
| 51307 | 38 | N | 135.263 | |
| 51308 | 38 | N | 135.092 | |
| 51322 | 42 | N | 134.8620 | 1 |
| 51380 | 152 | N | 134.918 | |
| 51455 | 260 | N | 136.243 | 1 |
| 51455 | 260 | N | 136.342 | 1 |
| 51456 | 260 | N | 137.408 | 1 |
| 51500 | 169 | N | 135.073 | 1 |
| 51515 | 260 | N | 136.04 | |
| 51521 | 148 | N | 133.987 | 1 |
| 51584 | 42 | N | 133.9860 | 1 |
| 51647 | 89 | N | 133.83 | 1 |
| 52152 | 174 | N | 134.3940125 | 1 |
| 52153 | 174 | N | 134.9093268 | 1 |
| 52162 | 10 | N | 133.96 | |
| 52171 | 12 | N | 133.84 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 447 | 1 | N | 40.8 | 1 |
| 1582 | 116 | N | 112.7 | 1 |
| 1583 | 110 | N | 112.7 | 1 |
| 1584 | 110 | N | 112.6 | 1 |
| 1658 | 1 | N | 40.5 | 1 |
| 1673 | 1 | N | 41.8 | 1 |
| 4042 | 11 | N | 111.18 | 1 |
| 4064 | 82 | N | 112.00 | 1 |
| 4091 | 144 | N | 112.2 | 1 |
| 4153 | 7 | N | 110.46 | 1 |
| 4236 | 102 | N | 18.28 | 1 |
| 4281 | 29 | N | 110.840 | 1 |
| 4344 | 65 | N | 109.3 | 1 |
| 4349 | 57 | N | 112.6 | 1 |
| 4376 | 12 | N | 108.02 | 1 |
| 4577 | 63 | N | 110.95 | 1 |
| 4836 | 186 | N | 110.04 | 1 |
| 4848 | 104 | N | 111.59 | |
| 4854 | 104 | N | 111.53 | |
| 4856 | 76 | N | 112.8 | 1 |
| 4929 | 15 | N | 105.49 | 1 |
| 4977 | 4 | N | 111.54 | 1 |
| 5117 | 25 | N | 109.481 | 1 |
| 5220 | 8 | N | 112.435 | 1 |
| 5234 | 92 | N | 110.8 | 1 |
| 5247 | 88 | N | 108.481 | 1 |
| 5300 | 130 | N | 110.2 | 1 |
| 5306 | 69 | N | 106.265 | |
| 5316 | 236 | N | 112.279 | 1 |
| 5344 | 37 | N | 110.6 | 1 |
| 5349 | 82 | N | 106.8 | 1 |
| 5466 | 64 | N | 112.83 | |
| 5483 | 74 | N | 112.5 | 1 |
| 5547 | 89 | N | 100.1 | 1 |
| 5567 | 61 | N | 109.37 | 1 |
| 5567 | 96 | N | 109.02 | 1 |
| 5592 | 9 | N | 110.46 | 1 |
| 5606 | 21 | N | 110.86 | 1 |
| 5619 | 120 | N | 112.9 | 1 |
| 5677 | 71 | N | 110.919 | 1 |
| 5689 | 56 | N | 106.625 | 1 |
| 5744 | 140 | N | 106.799 | 1 |
| 5788 | 69 | N | 106.550 | 1 |
| 5797 | 63 | N | 108.90 | 1 |
| 5861 | 18 | N | 106.0 | 1 |
| 5900 | 4 | N | 111.1 | 1 |
| 6111 | 105 | N | 104.07 | 1 |
| 6125 | 176 | N | 111.9 | 1 |
| 6143 | 29 | N | 111.068 | 1 |
| 6181 | 95 | N | 107.38 | 1 |
| 6228 | 16 | N | 110.537 | 1 |
| 6247 | 46 | N | 108.837 | |
| 6261 | 47 | N | 107.32 | 1 |
| 6312 | 12 | N | 108.796 | 1 |
| 6336 | 89 | N | 107.9 | 1 |
| 6348 | 1 | N | 77.1 | |
| 6362 | 59 | N | 104.488 | 1 |
| 6456 | 23 | N | 110.05 | 1 |
| 6476 | 2 | N | 108.894 | 1 |
| 6476 | 46 | N | 108.875 | 1 |
| 6478 | 31 | N | 109.56 | 1 |
| 6501 | 107 | N | 110.4 | 1 |
| 6555 | 82 | N | 109.010 | 1 |
| 6685 | 213 | N | 103.117 | 1 |
| 6790 | 1 | N | 98.053 | 1 |
| 6826 | 29 | N | 111.534 | 1 |
| 6997 | 61 | N | 109.37 | 1 |
| 6997 | 96 | N | 109.02 | 1 |
| 7002 | 46 | N | 104.64 | 1 |
| 7016 | 13 | N | 0.2 | |
| 7016 | 27 | N | 0.2 | |
| 7016 | 28 | N | 0.2 | |
| 7016 | 53 | N | 0.2 | |
| 7016 | 72 | N | 0.2 | |
| 7130 | 18 | N | 113.000 | 1 |
| 7228 | 81 | N | 110.7 | 1 |
| 10084 | 17 | N | 112.041 | 1 |
| 11441 | 126 | N | 112.755 | 1 |
| 11466 | 126 | N | 112.973 | 1 |
| 11531 | 53 | N | 112.833 | |
| 11547 | 46 | N | 109.724 | 1 |
| 15082 | 104 | N | 112.241 | 1 |
| 15208 | 68 | N | 112.644 | 1 |
| 15337 | 8 | N | 107.523 | 1 |
| 15485 | 79 | N | 111.710 | |
| 15488 | 157 | N | 112.01 | 1 |
| 15597 | 125 | N | 109.910 | 1 |
| 15728 | 38 | N | 110.202 | 1 |
| 15792 | 189 | N | 111.32 | 1 |
| 15901 | 103 | N | 112.761 | 1 |
| 16093 | 40 | N | 102.3 | 1 |
| 16123 | 103 | N | 112.1 | 1 |
| 16245 | 38 | N | 104.293 | 1 |
| 16254 | 1 | N | 41.700 | 1 |
| 16325 | 20 | N | 112.780 | 1 |
| 16327 | 1 | N | 39.50 | |
| 16371 | 85 | N | 112.8 | 1 |
| 16464 | 222 | N | 112.150 | 1 |
| 16565 | 88 | N | 106.7 | 1 |
| 16653 | 70 | N | 111.8 | 1 |
| 16694 | 121 | N | 110.633 | |
| 16710 | 21 | N | 109.5 | 1 |
| 16729 | 144 | N | 111.954 | 1 |
| 16729 | 289 | N | 110.261 | 1 |
| 16824 | 46 | N | 105.700 | 1 |
| 16847 | 6 | N | 110.408 | 1 |
| 16858 | 93 | N | 111.225 | 1 |
| 16859 | 93 | N | 111.225 | 1 |
| 16861 | 93 | N | 110.825 | 1 |
| 16865 | 93 | N | 110.825 | 1 |
| 16878 | 9 | N | 111.380 | 1 |
| 16957 | 92 | N | 112.345 | 1 |
| 16957 | 92 | N | 112.531 | 1 |
| 16982 | 108 | N | 111.045 | 1 |
| 16984 | 108 | N | 111.067 | 1 |
| 17153 | 5 | N | 111.6 | 1 |
| 17154 | 5 | N | 111.7 | 1 |
| 17155 | 5 | N | 111.5 | 1 |
| 17156 | 5 | N | 111.9 | 1 |
| 17235 | 88 | N | 111.3 | 1 |
| 17492 | 26 | N | 106.632 | |
| 17536 | 72 | N | 112.644 | 1 |
| 17596 | 16 | N | 101.269 | 1 |
| 17611 | 10 | N | 108.5 | 1 |
| 17647 | 105 | N | 107.088 | 1 |
| 17650 | 29 | N | 108.518 | 1 |
| 17694 | 52 | N | 108.000 | |
| 17736 | 46 | N | 113.0 | 1 |
| 17738 | 106 | N | 111.869 | 1 |
| 17747 | 50 | N | 111.682 | 1 |
| 17911 | 74 | N | 107.454 | 1 |
| 18000 | 163 | N | 112.61 | 1 |
| 18132 | 72 | N | 0.049 | 1 |
| 18276 | 36 | N | 110.48 | |
| 18302 | 57 | N | 106.0000 | 1 |
| 18477 | 159 | N | 112.176 | 1 |
| 18601 | 259 | N | 106.753 | 1 |
| 18603 | 159 | N | 112.593 | 1 |
| 18603 | 232 | N | 111.431 | 1 |
| 18761 | 55 | N | 110.610 | 1 |
| 18788 | 109 | N | 112.9 | 1 |
| 18820 | 56 | N | 111.856 | 1 |
| 18850 | 90 | N | 100.620 | 1 |
| 18868 | 2 | N | 112.780 | 1 |
| 18868 | 87 | N | 112.780 | 1 |
| 18887 | 64 | N | 112.79 | |
| 18887 | 92 | N | 111.35 | |
| 19150 | 171 | N | 104.193 | 1 |
| 19162 | 63 | N | 105.784 | 1 |
| 19207 | 200 | N | 108.20 | 1 |
| 19209 | 200 | N | 108.50 | 1 |
| 19253 | 3 | N | 107.6410 | |
| 19261 | 105 | N | 112.574 | |
| 19264 | 105 | N | 112.554 | |
| 19456 | 12 | N | 55.6 | 1 |
| 19457 | 12 | N | 51.4 | 1 |
| 19477 | 65 | N | 112.351 | 1 |
| 19541 | 54 | N | 112.427 | 1 |
| 19541 | 54 | N | 112.498 | 1 |
| 19541 | 54 | N | 112.526 | 1 |
| 19555 | 6 | N | 108.1996 | 1 |
| 19575 | 105 | N | 111.68 | |
| 19608 | 119 | N | 106.119 | 1 |
| 19622 | 51 | N | 102.132 | |
| 19629 | 171 | N | 103.722 | 1 |
| 19852 | 183 | N | 108.783 | 1 |
| 19852 | 192 | N | 109.513 | 1 |
| 19852 | 204 | N | 109.580 | 1 |
| 19852 | 67 | N | 104.865 | 1 |
| 19852 | 83 | N | 109.713 | 1 |
| 19855 | 15 | N | 91.016 | 1 |
| 19857 | 15 | N | 104.219 | 1 |
| 19961 | 22 | N | 109.870 | 1 |
| 25025 | 179 | N | 111.47 | |
| 25048 | 51 | N | 112.73 | 1 |
| 25176 | 13 | N | 57.03 | |
| 25176 | 16 | N | 47.79 | |
| 25176 | 18 | N | 60.103 | |
| 25176 | 20 | N | 53.952 | |
| 25176 | 22 | N | 55.489 | |
| 25176 | 22 | N | 67.068 | |
| 25176 | 27 | N | 58.822 | |
| 25176 | 3 | N | 50.288 | |
| 25176 | 31 | N | 47.762 | |
| 25176 | 33 | N | 50.066 | |
| 25176 | 35 | N | 60.484 | |
| 25176 | 37 | N | 56.202 | |
| 25176 | 39 | N | 62.569 | |
| 25176 | 46 | N | 58.654 | |
| 25176 | 61 | N | 60.103 | |
| 25176 | 8 | N | 54.002 | |
| 25176 | 91 | N | 67.766 | |
| 25437 | 112 | N | 111.448 | |
| 25532 | 237 | N | 112.526 | 1 |
| 25553 | 72 | N | 109.283 | 1 |
| 25554 | 183 | N | 108.783 | 1 |
| 25554 | 192 | N | 109.513 | 1 |
| 25554 | 204 | N | 109.580 | 1 |
| 25554 | 67 | N | 104.865 | 1 |
| 25554 | 83 | N | 109.713 | 1 |
| 25601 | 46 | N | 112.377 | |
| 25601 | 46 | N | 112.473 | |
| 25657 | 33 | N | 112.305 | 1 |
| 25685 | 128 | N | 110.603 | 1 |
| 25700 | 23 | N | 104.959 | |
| 25744 | 50 | N | 110.593 | 1 |
| 25972 | 46 | N | 101.024 | |
| 25973 | 46 | N | 100.596 | |
| 26042 | 83 | N | 108.9600 | 1 |
| 26043 | 83 | N | 108.9600 | 1 |
| 26593 | 43 | N | 111.6 | 1 |
| 26607 | 104 | N | 112.2 | 1 |
| 26608 | 133 | N | 112.805 | 1 |
| 26609 | 133 | N | 112.483 | 1 |
| 26651 | 5 | N | 108.198 | 1 |
| 26652 | 5 | N | 108.200 | 1 |
| 26745 | 111 | N | 101.400 | 1 |
| 26883 | 153 | N | 112.7 | 1 |
| 26989 | 162 | N | 109.552 | |
| 27005 | 99 | N | 112.943 | 1 |
| 27007 | 99 | N | 112.925 | 1 |
| 27008 | 99 | N | 113.01 | 1 |
| 27010 | 99 | N | 112.919 | 1 |
| 27022 | 241 | N | 112.156 | 1 |
| 27089 | 66 | N | 112.132 | 1 |
| 27160 | 173 | N | 109.766 | 1 |
| 27192 | 152 | N | 112.467 | 1 |
| 27244 | 129 | N | 108.72 | 1 |
| 27314 | 27 | N | 101.4780 | 1 |
| 27403 | 173 | N | 110.296 | 1 |
| 27404 | 173 | N | 109.900 | 1 |
| 27446 | 95 | N | 111.888 | 1 |
| 27518 | 41 | N | 108.2 | 1 |
| 27519 | 41 | N | 108.1 | 1 |
| 27526 | 209 | N | 109.336 | |
| 27573 | 84 | N | 104.649 | 1 |
| 27664 | 46 | N | 100.082 | |
| 27713 | 5 | N | 111.998 | 1 |
| 27714 | 5 | N | 111.969 | 1 |
| 27715 | 5 | N | 111.956 | 1 |
| 27716 | 5 | N | 111.949 | 1 |
| 27717 | 5 | N | 111.961 | 1 |
| 27774 | 61 | N | 112.050 | 1 |
| 27859 | 116 | N | 112.5 | |
| 27948 | 94 | N | 111.0532 | |
| 28074 | 107 | N | 105.842 | 1 |
| 28091 | 75 | N | 110.181 | 1 |
| 30021 | 2 | N | 106.83 | 1 |
| 30035 | 105 | N | 111.68 | |
| 30246 | 128 | N | 112.987 | |
| 30353 | 49 | N | 113.005 | 1 |
| 30425 | 102 | N | 112.72524 | 1 |
| 30425 | 51 | N | 112.43843 | 1 |
| 30426 | 102 | N | 112.72524 | 1 |
| 30426 | 51 | N | 112.43843 | 1 |
| 30615 | 12 | N | 49.10 | 1 |
| 30676 | 67 | N | 112.370 | |
| 30741 | 105 | N | 112.100 | 1 |
| 30774 | 115 | N | 85.3350 | 1 |
| 30925 | 67 | N | 112.370 | |
| 31020 | 42 | N | 107.5464 | 1 |
| 34308 | 116 | N | 112.162 | 1 |
| 34347 | 116 | N | 112.194 | |
| 34610 | 16 | N | 112.267 | |
| 36115 | 11 | N | 109.133 | 1 |
| 36115 | 54 | N | 110.015 | 1 |
| 36175 | 38 | N | 106.389 | |
| 50135 | 109 | N | 112.800 | |
| 50260 | 17 | N | 110.435 | 1 |
| 50261 | 104 | N | 112.514 | 1 |
| 50261 | 11 | N | 112.844 | 1 |
| 50261 | 158 | N | 112.004 | 1 |
| 50267 | 17 | N | 110.433 | 1 |
| 50361 | 82 | N | 112.039 | |
| 50612 | 86 | N | 108.7556 | 1 |
| 50695 | 185 | N | 113.005 | |
| 50707 | 114 | N | 108.434 | 1 |
| 50949 | 84 | N | 107.084 | |
| 51126 | 46 | N | 110.629 | 1 |
| 51128 | 122 | N | 105.799 | 1 |
| 51128 | 46 | N | 107.491 | 1 |
| 51159 | 40 | N | 112.714 | 1 |
| 51179 | 27 | N | 109.609367961764 | |
| 51297 | 323 | N | 112.06 | 1 |
| 51473 | 7 | N | 112.6134 | |
| 51488 | 148 | N | 112.541 | 1 |
| 51810 | 200 | N | 107.737 | |
| 51815 | 159 | N | 108.0834 | 1 |
| 52160 | 30 | N | 110.969 | |
| 52211 | 86 | N | 112.15398 | 1 |
| 52212 | 86 | N | 112.18420 | |
| 52212 | 91 | N | 113.00031 | |
| 52213 | 86 | N | 112.17549 | |
| 52213 | 91 | N | 112.96585 | |
| 52214 | 86 | N | 112.16573 | |