VAL CG2 Chemical Shift Outliers
Average chemical shift: 21.343
Standard deviation: 2.517
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4150 | 14 | CG2 | 61.431 | |
| 4150 | 36 | CG2 | 59.885 | |
| 4150 | 4 | CG2 | 60.957 | |
| 4150 | 70 | CG2 | 62.023 | |
| 4150 | 80 | CG2 | 60.762 | |
| 4736 | 48 | CG2 | 51.4 | 1 |
| 4854 | 213 | CG2 | 54 | |
| 5041 | 12 | CG2 | 41.626 | 1 |
| 5041 | 39 | CG2 | 44.100 | 1 |
| 5179 | 18 | CG2 | 71.180 | |
| 5179 | 44 | CG2 | 68.880 | |
| 5179 | 66 | CG2 | 68.480 | |
| 5179 | 74 | CG2 | 67.480 | |
| 5179 | 78 | CG2 | 68.880 | |
| 5275 | 99 | CG2 | 31.103 | 1 |
| 5303 | 6 | CG2 | 30.463 | 2 |
| 5631 | 101 | CG2 | 56.20 | 1 |
| 5631 | 15 | CG2 | 56.10 | 1 |
| 5631 | 17 | CG2 | 57.30 | 1 |
| 5631 | 31 | CG2 | 56.90 | 1 |
| 5631 | 47 | CG2 | 57.20 | 1 |
| 5631 | 50 | CG2 | 56.70 | 1 |
| 5631 | 83 | CG2 | 60.40 | 1 |
| 5631 | 93 | CG2 | 59.40 | 1 |
| 5631 | 98 | CG2 | 57.80 | 1 |
| 6723 | 37 | CG2 | 44.299 | |
| 6723 | 42 | CG2 | 45.397 | |
| 7184 | 82 | CG2 | 65.440 | 1 |
| 15129 | 32 | CG2 | 48.617 | 1 |
| 15873 | 24 | CG2 | 40.909 | 1 |
| 15873 | 58 | CG2 | 39.618 | 1 |
| 15874 | 24 | CG2 | 40.909 | 1 |
| 15874 | 58 | CG2 | 39.618 | 1 |
| 15877 | 16 | CG2 | 51.657 | 2 |
| 17497 | 74 | CG2 | 62.781 | 1 |
| 18951 | 23 | CG2 | 50.595 | 1 |
| 18951 | 39 | CG2 | 47.345 | 1 |
| 18951 | 6 | CG2 | 47.345 | 1 |
| 19716 | 3 | CG2 | 48.4400 | 2 |
| 25382 | 22 | CG2 | 76.263 | |
| 25382 | 71 | CG2 | 75.655 | |
| 25442 | 21 | CG2 | 320.420 | |
| 25693 | 5 | CG2 | 33.118 | 1 |
| 25864 | 16 | CG2 | 31.7000 | 1 |
| 26552 | 121 | CG2 | 50.7097 | |
| 26552 | 131 | CG2 | 54.4987 | |
| 26552 | 141 | CG2 | 53.3417 | |
| 26552 | 142 | CG2 | 54.6787 | |
| 26552 | 150 | CG2 | 54.0647 | |
| 26552 | 160 | CG2 | 53.7727 | |
| 26552 | 169 | CG2 | 53.1237 | |
| 26552 | 33 | CG2 | 53.9507 | |
| 26552 | 45 | CG2 | 54.0627 | |
| 26552 | 51 | CG2 | 54.0177 | |
| 26552 | 64 | CG2 | 53.2257 | |
| 26552 | 70 | CG2 | 53.2887 | |
| 26552 | 97 | CG2 | 54.5797 | |
| 26593 | 30 | CG2 | 33.07 | 2 |
| 34022 | 106 | CG2 | 54.4987 | |
| 34022 | 116 | CG2 | 53.3417 | |
| 34022 | 117 | CG2 | 54.6787 | |
| 34022 | 125 | CG2 | 54.0647 | |
| 34022 | 135 | CG2 | 53.7727 | |
| 34022 | 144 | CG2 | 53.1237 | |
| 34022 | 20 | CG2 | 54.0627 | |
| 34022 | 26 | CG2 | 54.0177 | |
| 34022 | 39 | CG2 | 53.2257 | |
| 34022 | 45 | CG2 | 53.2887 | |
| 34022 | 72 | CG2 | 54.5797 | |
| 34022 | 8 | CG2 | 53.9507 | |
| 34022 | 96 | CG2 | 50.7097 | |
| 34042 | 145 | CG2 | 60.571 | |
| 36117 | 74 | CG2 | 41.210 | |
| 36136 | 20 | CG2 | 61.878 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4431 | 107 | CG2 | 13.2 | 2 |
| 4431 | 39 | CG2 | 13.4 | 2 |
| 4431 | 64 | CG2 | 13.2 | 2 |
| 4431 | 68 | CG2 | 13.5 | 2 |
| 4431 | 87 | CG2 | 11.3 | 2 |
| 5303 | 39 | CG2 | 13.582 | 2 |
| 15086 | 38 | CG2 | 8.224 | 1 |
| 15584 | 92 | CG2 | -5.648 | 1 |
| 18982 | 1 | CG2 | 0.826 | 1 |
| 18982 | 8 | CG2 | 0.628 | 1 |
| 25379 | 88 | CG2 | 13.722 | 1 |
| 25854 | 119 | CG2 | 8.160 | |
| 25855 | 119 | CG2 | 8.160 | |
| 25887 | 63 | CG2 | 12.755 | 1 |
| 26012 | 154 | CG2 | 11.489 | |
| 26012 | 217 | CG2 | 11.375 | |
| 27251 | 17 | CG2 | 13.569 | 1 |
| 27795 | 293 | CG2 | 8.208 | |