ALA CA Chemical Shift Outliers
Average chemical shift: 53.152
Standard deviation: 2.653
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4097 | 21 | CA | 63.5 | 1 |
| 4230 | 28 | CA | 67.2 | |
| 4232 | 1 | CA | 68.71 | 1 |
| 4232 | 10 | CA | 66.70 | 1 |
| 4232 | 12 | CA | 67.10 | 1 |
| 4232 | 12 | CA | 78.10 | 1 |
| 4232 | 20 | CA | 71.14 | 1 |
| 4232 | 24 | CA | 65.85 | 1 |
| 4232 | 25 | CA | 65.87 | 1 |
| 4232 | 31 | CA | 65.77 | 1 |
| 4232 | 60 | CA | 66.03 | 1 |
| 4232 | 8 | CA | 61.76 | 1 |
| 4232 | 8 | CA | 72.76 | 1 |
| 4232 | 90 | CA | 99.00 | 1 |
| 4486 | 4 | CA | 61.46 | 1 |
| 5219 | 260 | CA | 63 | 1 |
| 5997 | 101 | CA | 65.516 | 1 |
| 6433 | 64 | CA | 62.06 | 1 |
| 6878 | 26 | CA | 65.33 | |
| 7280 | 36 | CA | 61.79 | 1 |
| 15091 | 123 | CA | 78.326 | 1 |
| 16318 | 24 | CA | 84.84 | 1 |
| 16729 | 108 | CA | 63.315 | 1 |
| 16729 | 123 | CA | 61.495 | 1 |
| 16729 | 166 | CA | 64.997 | 1 |
| 16729 | 315 | CA | 62.398 | 1 |
| 16729 | 51 | CA | 65.645 | 1 |
| 16729 | 91 | CA | 63.165 | 1 |
| 16750 | 77 | CA | 63.54 | 1 |
| 16750 | 77 | CA | 63.55 | 1 |
| 16750 | 77 | CA | 63.56 | 1 |
| 16750 | 77 | CA | 63.61 | 1 |
| 16750 | 77 | CA | 63.62 | 1 |
| 16919 | 102 | CA | 61.535 | 1 |
| 17495 | 25 | CA | 70.189 | 1 |
| 17914 | 56 | CA | 123.90 | 1 |
| 19458 | 132 | CA | 63.2116 | |
| 25024 | 103 | CA | 61.128 | |
| 25442 | 11 | CA | 353.052 | |
| 25442 | 33 | CA | 354.698 | |
| 25442 | 5 | CA | 350.079 | |
| 25572 | 130 | CA | 62.836 | 1 |
| 25761 | 17 | CA | 62.360 | |
| 26716 | 24 | CA | 67.022 | 1 |
| 27108 | 59 | CA | 64.201 | |
| 30958 | 31 | CA | 62.097 | |
| 30958 | 46 | CA | 61.290 | |
| 50022 | 85 | CA | 61.513 | |
| 50027 | 12 | CA | 72.252 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4431 | 81 | CA | 43.0 | 1 |
| 4901 | 109 | CA | 44.22 | 1 |
| 5263 | 34 | CA | 42.817 | |
| 5592 | 9 | CA | 40.67 | 1 |
| 6803 | 18 | CA | 17.294 | 1 |
| 11035 | 62 | CA | 17.053 | 1 |
| 11035 | 66 | CA | 20.598 | 1 |
| 11037 | 62 | CA | 17.007 | 1 |
| 11037 | 66 | CA | 20.565 | 1 |
| 15873 | 13 | CA | 36.717 | 1 |
| 15873 | 41 | CA | 35.451 | 1 |
| 15873 | 51 | CA | 33.070 | 1 |
| 15873 | 54 | CA | 36.779 | 1 |
| 15873 | 63 | CA | 35.710 | 1 |
| 15874 | 13 | CA | 36.717 | 1 |
| 15874 | 41 | CA | 35.451 | 1 |
| 15874 | 51 | CA | 33.070 | 1 |
| 15874 | 54 | CA | 36.779 | 1 |
| 15874 | 63 | CA | 35.710 | 1 |
| 16984 | 64 | CA | 44.784 | 1 |
| 17495 | 26 | CA | 36.367 | 1 |
| 18321 | 206 | CA | 40.1961 | 1 |
| 18333 | 206 | CA | 40.1961 | 1 |
| 18951 | 25 | CA | 28.655 | 1 |
| 18951 | 31 | CA | 27.985 | 1 |
| 18951 | 34 | CA | 29.705 | 1 |
| 18951 | 44 | CA | 26.718 | 1 |
| 18951 | 7 | CA | 26.375 | 1 |
| 19063 | 36 | CA | 43.723 | |
| 19063 | 46 | CA | 41.235 | |
| 19063 | 53 | CA | 44 | |
| 19063 | 71 | CA | 44.069 | |
| 19063 | 74 | CA | 44.414 | |
| 19063 | 93 | CA | 42.064 | |
| 19063 | 99 | CA | 39.922 | |
| 19616 | 203 | CA | 42.855 | 1 |
| 25453 | 26 | CA | 41.722 | 1 |
| 26557 | 140 | CA | 20.1 | |
| 26793 | 67 | CA | 44.6 | 1 |
| 27752 | 2 | CA | 42.8 | 1 |
| 50010 | 72 | CA | 43.994 | 1 |
| 50011 | 72 | CA | 44.333 | 1 |
| 51380 | 114 | CA | 43.801 | |
| 51380 | 123 | CA | 44.425 | |
| 51535 | 112 | CA | 35.77 | 1 |