Average chemical shift: 120.283
Standard deviation: 3.246
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4560 | 9 | CD2 | 133.33 | 1 |
4619 | 12 | CD2 | 138.851 | |
4619 | 16 | CD2 | 136.861 | |
4619 | 24 | CD2 | 134.531 | |
4619 | 51 | CD2 | 134.871 | |
4984 | 47 | CD2 | 136.675 | 3 |
5011 | 34 | CD2 | 136.6 | 1 |
5225 | 84 | CD2 | 131.08 | 1 |
5631 | 3 | CD2 | 156.00 | 1 |
5631 | 6 | CD2 | 155.90 | 1 |
6601 | 86 | CD2 | 131.194 | 1 |
6615 | 16 | CD2 | 132.960 | 1 |
6615 | 25 | CD2 | 131.340 | 1 |
6705 | 108 | CD2 | 132.48 | |
6837 | 142 | CD2 | 136.934 | |
7103 | 96 | CD2 | 137.7 | 1 |
7151 | 56 | CD2 | 131.7 | 1 |
7189 | 46 | CD2 | 138.03 | 1 |
7190 | 62 | CD2 | 159.946 | 1 |
7349 | 28 | CD2 | 134.670 | |
11080 | 91 | CD2 | 130.824 | 1 |
11308 | 34 | CD2 | 131.000 | 1 |
11324 | 63 | CD2 | 131.604 | 1 |
11324 | 92 | CD2 | 130.855 | 1 |
11559 | 111 | CD2 | 130.304 | 1 |
11560 | 111 | CD2 | 130.469 | 1 |
11587 | 111 | CD2 | 130.469 | 1 |
15002 | 62 | CD2 | 132.368 | |
15113 | 15 | CD2 | 135.860 | 1 |
15242 | 85 | CD2 | 132.049 | |
15314 | 38 | CD2 | 134.413 | 1 |
15314 | 69 | CD2 | 136.572 | 1 |
15660 | 47 | CD2 | 130.5 | 1 |
15717 | 169 | CD2 | 131.19 | |
15877 | 10 | CD2 | 147.416 | 1 |
16248 | 103 | CD2 | 130.057 | 1 |
16248 | 87 | CD2 | 132.026 | 1 |
16590 | 31 | CD2 | 131.980 | 1 |
16813 | 71 | CD2 | 137.338 | 1 |
17206 | 32 | CD2 | 130.421 | 1 |
17546 | 136 | CD2 | 131.19 | |
17636 | 112 | CD2 | 131.080 | 1 |
17701 | 126 | CD2 | 131.348 | 1 |
17808 | 44 | CD2 | 137.809 | |
18037 | 126 | CD2 | 130.436 | 1 |
18124 | 29 | CD2 | 139.151 | 1 |
18462 | 69 | CD2 | 137.280 | 1 |
18586 | 22 | CD2 | 130.313 | 1 |
18586 | 26 | CD2 | 131.261 | 1 |
18586 | 50 | CD2 | 130.313 | 1 |
18586 | 54 | CD2 | 130.312 | 1 |
18586 | 78 | CD2 | 130.312 | 1 |
18595 | 21 | CD2 | 130.455 | 1 |
18615 | 150 | CD2 | 130.3 | 9 |
18632 | 81 | CD2 | 130.227 | 1 |
18632 | 81 | CD2 | 130.229 | 1 |
18650 | 78 | CD2 | 131.367 | |
18650 | 85 | CD2 | 131.696 | |
18804 | 39 | CD2 | 130.383 | |
18806 | 110 | CD2 | 131.677 | 1 |
18806 | 22 | CD2 | 130.823 | 1 |
18806 | 26 | CD2 | 130.448 | 1 |
18806 | 50 | CD2 | 130.560 | 1 |
18806 | 54 | CD2 | 130.631 | 1 |
18806 | 78 | CD2 | 130.741 | 1 |
18806 | 82 | CD2 | 130.548 | 1 |
19240 | 25 | CD2 | 136.901 | 1 |
19241 | 25 | CD2 | 136.901 | 1 |
19317 | 29 | CD2 | 131.953 | 1 |
19715 | 59 | CD2 | 134.935 | 1 |
19715 | 81 | CD2 | 130.367 | 1 |
19715 | 89 | CD2 | 130.367 | 1 |
19910 | 121 | CD2 | 138.500 | 1 |
25104 | 92 | CD2 | 140.220 | |
25453 | 67 | CD2 | 132.920 | 1 |
25527 | 41 | CD2 | 130.40 | 1 |
25582 | 6 | CD2 | 130.501 | 1 |
25587 | 110 | CD2 | 131.513 | 1 |
25587 | 82 | CD2 | 131.048 | 1 |
25933 | 50 | CD2 | 132.627 | 1 |
25933 | 93 | CD2 | 130.513 | 1 |
27579 | 157 | CD2 | 130.309 | 1 |
27876 | 130 | CD2 | 131.208 | 1 |
30004 | 67 | CD2 | 130.165 | 1 |
30727 | 9 | CD2 | 136.600 | |
30800 | 8 | CD2 | 135.5100 | |
30814 | 79 | CD2 | 131.1600 | 1 |
34047 | 20 | CD2 | 139.870 | 1 |
34091 | 3 | CD2 | 136.015 | 1 |
34091 | 7 | CD2 | 136.120 | 1 |
34091 | 9 | CD2 | 136.129 | 1 |
34092 | 3 | CD2 | 135.995 | 1 |
34092 | 7 | CD2 | 136.109 | 1 |
34092 | 9 | CD2 | 136.099 | 1 |
34492 | 93 | CD2 | 130.232 | 1 |
34720 | 86 | CD2 | 136.744 | |
34773 | 86 | CD2 | 136.773 | |
34776 | 39 | CD2 | 131.142 | 1 |
36014 | 111 | CD2 | 130.112 | 1 |
51034 | 157 | CD2 | 130.214 | 1 |
51043 | 157 | CD2 | 130.425 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
2454 | 75 | CD2 | 7.19 | 1 |
4150 | 10 | CD2 | 81.238 | |
4368 | 63 | CD2 | 67.40 | 1 |
5179 | 53 | CD2 | 70.820 | |
5179 | 75 | CD2 | 72.020 | |
5179 | 79 | CD2 | 72.820 | |
5212 | 8 | CD2 | 94.171 | |
6072 | 31 | CD2 | 63.649 | 1 |
6072 | 35 | CD2 | 63.230 | 1 |
6072 | 43 | CD2 | 62.767 | 1 |
6308 | 103 | CD2 | 44.033 | |
6308 | 35 | CD2 | 43.619 | |
6384 | 33 | CD2 | 20.775 | 1 |
6385 | 34 | CD2 | 51.908 | 1 |
6730 | 19 | CD2 | 44.866 | |
6730 | 84 | CD2 | 42.448 | |
6730 | 9 | CD2 | 44.338 | |
16195 | 132 | CD2 | 101.757 | 1 |
16195 | 153 | CD2 | 89.403 | 1 |
16635 | 26 | CD2 | 82.597 | 1 |
16797 | 26 | CD2 | 67.112 | 1 |
16814 | 17 | CD2 | 72.269 | 1 |
16814 | 22 | CD2 | 67.118 | 1 |
16814 | 26 | CD2 | 67.552 | 1 |
16815 | 26 | CD2 | 66.896 | 1 |
17497 | 28 | CD2 | 34.022 | 1 |
17497 | 46 | CD2 | 29.486 | 1 |
18235 | 15 | CD2 | 43.6 | 1 |
19155 | 35 | CD2 | 110.516 | |
19716 | 12 | CD2 | 44.3704 | 1 |
19943 | 62 | CD2 | 26.092 | |
19946 | 62 | CD2 | 26.092 | |
25382 | 4 | CD2 | 64.111 | |
25382 | 75 | CD2 | 62.203 | |
25688 | 17 | CD2 | 7.424 | |
34042 | 87 | CD2 | 79.795 |