PHE CB Chemical Shift Outliers
Average chemical shift: 39.913
Standard deviation: 3.415
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4150 | 68 | CB | 83.863 | |
| 4150 | 76 | CB | 78.598 | |
| 4150 | 81 | CB | 85.297 | |
| 4232 | 13 | CB | 51.86 | 1 |
| 4232 | 26 | CB | 52.04 | 1 |
| 4232 | 78 | CB | 50.31 | 1 |
| 4391 | 8 | CB | 50.4 | 1 |
| 4413 | 44 | CB | 62.567 | 1 |
| 5179 | 19 | CB | 88.680 | |
| 5179 | 32 | CB | 84.380 | |
| 5179 | 35 | CB | 88.780 | |
| 5179 | 69 | CB | 86.580 | |
| 11055 | 24 | CB | 137.000 | 1 |
| 16729 | 109 | CB | 68.815 | 1 |
| 16729 | 215 | CB | 63.945 | 1 |
| 18941 | 57 | CB | 50.225 | 1 |
| 25278 | 66 | CB | 54.6 | 1 |
| 25382 | 30 | CB | 67.562 | |
| 25382 | 31 | CB | 66.849 | |
| 25382 | 41 | CB | 69.756 | |
| 25382 | 54 | CB | 70.011 | |
| 25442 | 10 | CB | 341.700 | |
| 25442 | 27 | CB | 339.826 | |
| 25442 | 32 | CB | 339.305 | |
| 25792 | 120 | CB | 55.621 | |
| 27080 | 26 | CB | 55.807 | 1 |
| 27512 | 49 | CB | 56.739 | |
| 34372 | 1 | CB | 53.266 | 1 |
| 34487 | 28 | CB | 52.302 | 1 |
| 51384 | 41 | CB | 54.268 | 1 |
| 52363 | 38 | CB | 55.160 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4421 | 104 | CB | 28.600 | 1 |
| 5500 | 29 | CB | 28.682 | 1 |
| 5745 | 39 | CB | 21.4 | 1 |
| 5895 | 89 | CB | 29.05 | |
| 6080 | 160 | CB | 25.523 | 1 |
| 6242 | 1 | CB | 27.9 | 1 |
| 6605 | 114 | CB | 28.96 | |
| 11453 | 47 | CB | 22.476 | 1 |
| 15071 | 42 | CB | 25.52 | 1 |
| 15820 | 92 | CB | 28.896 | |
| 16337 | 122 | CB | 28.1 | 1 |
| 16729 | 294 | CB | 28.318 | 1 |
| 17759 | 57 | CB | 28.093 | 1 |
| 17762 | 46 | CB | 26.692 | 1 |
| 18543 | 174 | CB | 27.900 | 1 |
| 18793 | 106 | CB | 26.801 | 1 |
| 18793 | 68 | CB | 29.453 | 1 |
| 19063 | 40 | CB | 28.655 | |
| 19321 | 45 | CB | 26.348 | 1 |
| 25281 | 54 | CB | 29.22 | |
| 26593 | 77 | CB | 2.161 | 1 |
| 51515 | 219 | CB | 27.16 | |
| 52077 | 42 | CB | 29.395 | 1 |