Average chemical shift: 131.574
Standard deviation: 1.206
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4285 | 75 | CD2 | 137.2 | 1 |
6371 | 32 | CD2 | 135.9 | 1 |
15813 | 103 | CD2 | 138.7 | |
16195 | 61 | CD2 | 136.453 | 3 |
16989 | 26 | CD2 | 138.249 | 3 |
17499 | 245 | CD2 | 135.953 | 3 |
17892 | 61 | CD2 | 136.171 | |
17944 | 29 | CD2 | 135.7 | |
18586 | 41 | CD2 | 135.325 | 3 |
18586 | 69 | CD2 | 135.380 | 3 |
25240 | 52 | CD2 | 135.193 | 1 |
25402 | 70 | CD2 | 137.237 | 3 |
25587 | 41 | CD2 | 135.295 | 3 |
25744 | 35 | CD2 | 135.409 | 1 |
25744 | 43 | CD2 | 135.645 | 1 |
25761 | 63 | CD2 | 135.393 | |
27254 | 10 | CD2 | 135.232 | 1 |
30334 | 20 | CD2 | 135.850 | |
30334 | 35 | CD2 | 137.397 | |
30334 | 78 | CD2 | 135.540 | |
30334 | 89 | CD2 | 136.148 | |
34803 | 158 | CD2 | 137.504 | |
50135 | 14 | CD2 | 140.309 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1404 | 82 | CD2 | 119.1 | 1 |
4023 | 18 | CD2 | 122.3 | 1 |
4150 | 68 | CD2 | 51.176 | |
4150 | 76 | CD2 | 51.435 | |
4150 | 81 | CD2 | 53.180 | |
4215 | 125 | CD2 | 126.600 | 1 |
4670 | 82 | CD2 | 120.0 | |
4803 | 56 | CD2 | 122.4 | 1 |
4804 | 56 | CD2 | 122.4 | 1 |
4954 | 2 | CD2 | 127.8 | 1 |
4954 | 21 | CD2 | 127.27 | 1 |
5179 | 19 | CD2 | 83.920 | |
5179 | 32 | CD2 | 82.620 | |
5179 | 35 | CD2 | 84.220 | |
5179 | 69 | CD2 | 86.820 | |
5337 | 8 | CD2 | 124.79 | 1 |
5363 | 30 | CD2 | 62.300 | 2 |
5363 | 31 | CD2 | 64.700 | 2 |
5363 | 64 | CD2 | 64.740 | 2 |
5729 | 23 | CD2 | 127.6 | 1 |
5887 | 103 | CD2 | 126.8 | 4 |
5887 | 14 | CD2 | 126.9 | 4 |
5887 | 99 | CD2 | 127.3 | 4 |
5928 | 53 | CD2 | 127.5 | 1 |
5928 | 99 | CD2 | 127.2 | 1 |
6072 | 65 | CD2 | 19.150 | 1 |
6247 | 30 | CD2 | 85.254 | |
6275 | 123 | CD2 | 127.9 | 1 |
6275 | 153 | CD2 | 127.6 | 1 |
6275 | 64 | CD2 | 127.2 | 1 |
6275 | 93 | CD2 | 127.2 | 1 |
6546 | 140 | CD2 | 127.3 | 1 |
6679 | 13 | CD2 | 127.043 | 1 |
6680 | 13 | CD2 | 126.891 | 1 |
6680 | 30 | CD2 | 126.941 | 1 |
6763 | 7 | CD2 | 110.70 | |
6780 | 27 | CD2 | 125.942 | 1 |
6780 | 8 | CD2 | 127.672 | 1 |
6780 | 92 | CD2 | 126.405 | 1 |
6936 | 43 | CD2 | 127.43 | 1 |
7019 | 107 | CD2 | 127.481 | 1 |
7110 | 85 | CD2 | 124.8 | |
7151 | 33 | CD2 | 122.5 | 1 |
11086 | 89 | CD2 | 127.542 | 1 |
11124 | 51 | CD2 | 127.579 | 1 |
11126 | 71 | CD2 | 127.565 | 1 |
11134 | 31 | CD2 | 126.680 | 1 |
11221 | 90 | CD2 | 127.211 | 3 |
11430 | 16 | CD2 | 127.40 | 3 |
15167 | 41 | CD2 | 127.7 | 1 |
15813 | 109 | CD2 | 118.5 | |
15927 | 15 | CD2 | 127.163 | 1 |
15927 | 51 | CD2 | 126.305 | 1 |
16179 | 23 | CD2 | 127.500 | 3 |
16180 | 23 | CD2 | 127.500 | 3 |
16181 | 23 | CD2 | 127.700 | 3 |
16671 | 23 | CD2 | 127.500 | 3 |
16814 | 13 | CD2 | 67.112 | 3 |
16846 | 63 | CD2 | 123.410 | |
16884 | 15 | CD2 | 126.1 | 1 |
16884 | 23 | CD2 | 124.3 | 1 |
16884 | 32 | CD2 | 126.9 | 1 |
16884 | 35 | CD2 | 125.6 | 1 |
16884 | 44 | CD2 | 126.6 | 1 |
16884 | 55 | CD2 | 127.1 | 1 |
16884 | 57 | CD2 | 126.5 | 1 |
16884 | 76 | CD2 | 126.5 | 1 |
16914 | 59 | CD2 | 51.41 | |
16929 | 60 | CD2 | 126.9000 | 3 |
16944 | 43 | CD2 | 127.654 | 3 |
17073 | 43 | CD2 | 70.1230 | 3 |
17073 | 7 | CD2 | 69.8990 | 3 |
17425 | 16 | CD2 | 126.6300 | 1 |
17443 | 72 | CD2 | 125.523 | 3 |
17456 | 24 | CD2 | 125.915 | 3 |
17456 | 27 | CD2 | 126.532 | 3 |
17456 | 5 | CD2 | 126.580 | 3 |
17456 | 50 | CD2 | 126.842 | 3 |
17456 | 53 | CD2 | 126.724 | 3 |
17456 | 66 | CD2 | 126.215 | 3 |
17688 | 130 | CD2 | 127.126 | 1 |
17767 | 113 | CD2 | 125.300 | 3 |
17767 | 47 | CD2 | 127.900 | 3 |
17799 | 135 | CD2 | 127.399 | 3 |
17799 | 45 | CD2 | 127.929 | 3 |
17799 | 97 | CD2 | 127.491 | 3 |
17806 | 113 | CD2 | 127.087 | 3 |
17806 | 23 | CD2 | 127.485 | 3 |
17806 | 26 | CD2 | 127.552 | 3 |
17806 | 75 | CD2 | 127.247 | 3 |
18018 | 60 | CD2 | 126.734 | 3 |
18113 | 25 | CD2 | 127.248 | 1 |
18118 | 12 | CD2 | 127.328 | 3 |
18118 | 31 | CD2 | 126.485 | 3 |
18118 | 32 | CD2 | 127.282 | 3 |
18118 | 46 | CD2 | 126.423 | 3 |
18235 | 39 | CD2 | 55.3 | 3 |
18235 | 43 | CD2 | 57.1 | 3 |
18235 | 76 | CD2 | 56.5 | 3 |
18292 | 79 | CD2 | 127.329 | 3 |
18292 | 9 | CD2 | 127.424 | 3 |
18355 | 66 | CD2 | 118.128 | 1 |
18356 | 106 | CD2 | 121.6 | 1 |
18356 | 141 | CD2 | 120.1 | 1 |
18356 | 15 | CD2 | 120.6 | 1 |
18356 | 30 | CD2 | 121.7 | 1 |
18356 | 63 | CD2 | 123.4 | 1 |
18356 | 66 | CD2 | 119.5 | 1 |
18356 | 85 | CD2 | 124.9 | 1 |
18356 | 87 | CD2 | 124.1 | 1 |
18356 | 89 | CD2 | 119.0 | 1 |
18628 | 20 | CD2 | 127.946 | 3 |
18681 | 14 | CD2 | 127.304 | |
18682 | 14 | CD2 | 127.575 | |
18770 | 20 | CD2 | 127.95 | 1 |
18934 | 20 | CD2 | 127.909 | 1 |
18961 | 23 | CD2 | 118.724 | 3 |
18982 | 10 | CD2 | 7.160 | 1 |
18982 | 2 | CD2 | 7.342 | 1 |
19009 | 20 | CD2 | 127.2 | 1 |
19198 | 56 | CD2 | 126.087 | 3 |
19458 | 80 | CD2 | 13.6491 | |
19510 | 23 | CD2 | 125.592 | |
19510 | 60 | CD2 | 126.664 | |
19530 | 80 | CD2 | 127.895 | |
19541 | 1 | CD2 | 13.571 | 3 |
19946 | 86 | CD2 | 51.719 | |
19952 | 64 | CD2 | 120.815 | 3 |
19967 | 45 | CD2 | 118.267 | 1 |
25026 | 141 | CD2 | 127.627 | 3 |
25040 | 145 | CD2 | 126.404 | 1 |
25040 | 27 | CD2 | 127.866 | 1 |
25043 | 144 | CD2 | 126.486 | 1 |
25243 | 68 | CD2 | 115.549 | |
25294 | 109 | CD2 | 127.500 | |
25342 | 113 | CD2 | 127.921 | 3 |
25342 | 127 | CD2 | 127.133 | 3 |
25342 | 64 | CD2 | 126.669 | 3 |
25379 | 78 | CD2 | 127.754 | 1 |
25382 | 30 | CD2 | 75.207 | |
25382 | 31 | CD2 | 75.747 | |
25382 | 41 | CD2 | 75.027 | |
25382 | 54 | CD2 | 75.563 | |
25474 | 12 | CD2 | 126.584 | |
25490 | 12 | CD2 | 124.41 | 1 |
25704 | 10 | CD2 | 127.840 | 1 |
25760 | 28 | CD2 | 127.079 | |
27317 | 103 | CD2 | 127.194 | 1 |
28042 | 30 | CD2 | 127.653 | |
30727 | 44 | CD2 | 119.160 | |
30956 | 56 | CD2 | 126.016 | 1 |
34042 | 119 | CD2 | 91.573 | |
34042 | 120 | CD2 | 91.393 | |
34042 | 28 | CD2 | 91.835 | |
34042 | 46 | CD2 | 91.655 | |
34058 | 98 | CD2 | 126.32 | 3 |
34153 | 27 | CD2 | 127.700 | 1 |
34202 | 94 | CD2 | 118.452 | |
34439 | 57 | CD2 | 127.180 | 1 |
34466 | 82 | CD2 | 127.773 | |
34767 | 62 | CD2 | 127.691 | |
34767 | 78 | CD2 | 126.588 | |
34803 | 79 | CD2 | 127.653 | |
36143 | 20 | CD2 | 127.06241 | |
50022 | 87 | CD2 | 26.384 | |
50804 | 15 | CD2 | 120.347 | |
51896 | 7 | CD2 | 127.052 | 1 |