TRP CD1 Chemical Shift Outliers
Average chemical shift: 126.576
Standard deviation: 1.839
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 5467 | 53 | CD1 | 133.84 | 1 |
| 6356 | 80 | CD1 | 132.346 | |
| 15877 | 8 | CD1 | 158.329 | 1 |
| 19109 | 58 | CD1 | 133.490 | 1 |
| 19854 | 104 | CD1 | 137.300 | 1 |
| 30075 | 27 | CD1 | 135.599 | 1 |
| 34216 | 45 | CD1 | 183.141 | |
| 34234 | 18 | CD1 | 133.5 | |
| 34341 | 31 | CD1 | 133.795 | 1 |
| 51070 | 26 | CD1 | 135.4900 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 1580 | 57 | CD1 | 119.5 | 1 |
| 4122 | 43 | CD1 | 120.57 | 1 |
| 4150 | 28 | CD1 | 85.854 | |
| 4150 | 53 | CD1 | 88.516 | |
| 4150 | 97 | CD1 | 87.926 | |
| 4313 | 38 | CD1 | 120.1 | 1 |
| 4368 | 59 | CD1 | 108.80 | 1 |
| 4803 | 20 | CD1 | 119.7 | 1 |
| 4804 | 20 | CD1 | 119.75 | 1 |
| 4808 | 20 | CD1 | 119.69 | 1 |
| 4809 | 20 | CD1 | 119.69 | 1 |
| 4829 | 47 | CD1 | 117.424 | 1 |
| 5179 | 55 | CD1 | 79.120 | |
| 5179 | 56 | CD1 | 76.020 | |
| 5179 | 68 | CD1 | 78.920 | |
| 5558 | 53 | CD1 | 116.636 | 1 |
| 5678 | 66 | CD1 | 117.7 | 1 |
| 5792 | 64 | CD1 | 121.0 | 1 |
| 5867 | 43 | CD1 | 120.310 | 1 |
| 5897 | 150 | CD1 | 117.8720 | 1 |
| 5942 | 108 | CD1 | 117.57 | 1 |
| 5942 | 27 | CD1 | 118.024 | 1 |
| 6125 | 89 | CD1 | 119.7 | 1 |
| 6265 | 38 | CD1 | 120.52 | 1 |
| 6308 | 32 | CD1 | 53.005 | |
| 6334 | 86 | CD1 | 120.9139 | 1 |
| 6334 | 99 | CD1 | 120.653 | 1 |
| 6348 | 40 | CD1 | 119.7 | |
| 6384 | 4 | CD1 | 30.236 | 1 |
| 6536 | 65 | CD1 | 109.304 | 1 |
| 6539 | 65 | CD1 | 118.822 | 1 |
| 6658 | 83 | CD1 | 113.406 | 1 |
| 6960 | 89 | CD1 | 120.771 | |
| 7089 | 42 | CD1 | 120.700 | 1 |
| 7351 | 41 | CD1 | 121.017 | 1 |
| 10027 | 24 | CD1 | 120.868 | 1 |
| 10027 | 49 | CD1 | 120.756 | 1 |
| 11061 | 83 | CD1 | 121.009 | 1 |
| 11127 | 38 | CD1 | 119.936 | 1 |
| 11214 | 43 | CD1 | 120.824 | 1 |
| 11591 | 42 | CD1 | 119.8 | 1 |
| 11592 | 32 | CD1 | 118.337 | 1 |
| 15404 | 30 | CD1 | 120.643 | 1 |
| 15404 | 78 | CD1 | 119.273 | 1 |
| 15507 | 99 | CD1 | 120.897 | 1 |
| 15670 | 45 | CD1 | 120.323 | 1 |
| 15671 | 45 | CD1 | 120.913 | 1 |
| 15912 | 10 | CD1 | 114.38 | 1 |
| 15912 | 10 | CD1 | 116.84 | 1 |
| 15927 | 44 | CD1 | 120.746 | 1 |
| 15961 | 134 | CD1 | 120.7 | 3 |
| 16175 | 109 | CD1 | 108.450 | 1 |
| 16195 | 163 | CD1 | 118.107 | 1 |
| 16339 | 30 | CD1 | 57.910 | 3 |
| 16339 | 50 | CD1 | 57.360 | 3 |
| 16630 | 43 | CD1 | 120.657 | 1 |
| 16809 | 8 | CD1 | 114.31 | 1 |
| 16809 | 8 | CD1 | 114.38 | 1 |
| 16929 | 29 | CD1 | 119.7800 | 1 |
| 16931 | 59 | CD1 | 120.9287 | 1 |
| 17073 | 11 | CD1 | 65.5000 | 3 |
| 17073 | 41 | CD1 | 64.6230 | 3 |
| 17251 | 31 | CD1 | 117.538 | 1 |
| 17392 | 89 | CD1 | 120.727 | 3 |
| 17393 | 89 | CD1 | 120.7710 | 1 |
| 17434 | 25 | CD1 | 114.771 | 1 |
| 17456 | 37 | CD1 | 120.124 | 1 |
| 17713 | 70 | CD1 | 120.566 | 1 |
| 17806 | 95 | CD1 | 118.210 | 1 |
| 17808 | 61 | CD1 | 120.436 | |
| 17818 | 83 | CD1 | 120.4 | 1 |
| 17890 | 125 | CD1 | 120.897 | 1 |
| 17902 | 125 | CD1 | 120.930 | 1 |
| 18388 | 65 | CD1 | 118.873 | 1 |
| 18435 | 129 | CD1 | 118.1 | 1 |
| 18852 | 16 | CD1 | 74.463 | 1 |
| 19551 | 175 | CD1 | 120.854 | 1 |
| 19716 | 13 | CD1 | 42.0288 | 1 |
| 19835 | 73 | CD1 | 120.729 | 1 |
| 19836 | 132 | CD1 | 120.829 | 1 |
| 19906 | 24 | CD1 | 118.36 | 1 |
| 19994 | 64 | CD1 | 37.731 | |
| 25342 | 130 | CD1 | 119.278 | 1 |
| 25342 | 149 | CD1 | 120.591 | 1 |
| 25567 | 130 | CD1 | 119.111 | |
| 25567 | 149 | CD1 | 120.628 | |
| 25738 | 4 | CD1 | 120.1 | 1 |
| 25739 | 4 | CD1 | 120.2 | 1 |
| 25859 | 42 | CD1 | 120.700 | 1 |
| 26552 | 46 | CD1 | 30.4199 | |
| 27690 | 78 | CD1 | 120.687 | |
| 27989 | 192 | CD1 | 117.829 | 1 |
| 28037 | 66 | CD1 | 120.071 | 1 |
| 28038 | 63 | CD1 | 120.721 | 1 |
| 28101 | 121 | CD1 | 120.387 | |
| 30080 | 131 | CD1 | 120.829 | 1 |
| 30082 | 41 | CD1 | 120.829 | 1 |
| 30207 | 13 | CD1 | 114.103 | |
| 30532 | 51 | CD1 | 116.7780 | 1 |
| 34022 | 21 | CD1 | 30.4199 | |
| 34042 | 47 | CD1 | 88.075 | |
| 34142 | 46 | CD1 | 120.272 | |
| 34143 | 46 | CD1 | 120.338 | |
| 34462 | 45 | CD1 | 120.815 | 1 |
| 34667 | 44 | CD1 | 117.937 | |
| 51073 | 51 | CD1 | 121.039 | 1 |
| 52187 | 9 | CD1 | 120.8 | 1 |