TRP CH2 Chemical Shift Outliers
Average chemical shift: 123.81
Standard deviation: 1.519
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4154 | 106 | CH2 | 133.1 | 1 |
| 4825 | 4 | CH2 | 128.73 | 1 |
| 4829 | 47 | CH2 | 130.071 | 1 |
| 5902 | 36 | CH2 | 129.286 | 1 |
| 6919 | 96 | CH2 | 131.540 | 1 |
| 15314 | 35 | CH2 | 130.34 | 1 |
| 15354 | 37 | CH2 | 131.243 | 1 |
| 15877 | 8 | CH2 | 160.818 | 1 |
| 15912 | 10 | CH2 | 128.41 | 1 |
| 15961 | 32 | CH2 | 129.5 | 1 |
| 16195 | 163 | CH2 | 133.480 | 1 |
| 19109 | 58 | CH2 | 129.625 | 1 |
| 19952 | 24 | CH2 | 128.422 | 1 |
| 19952 | 74 | CH2 | 130.176 | 1 |
| 25039 | 107 | CH2 | 129.796 | |
| 25042 | 107 | CH2 | 129.290 | 1 |
| 25761 | 9 | CH2 | 128.555 | |
| 26774 | 125 | CH2 | 130.943 | 1 |
| 27590 | 66 | CH2 | 129.519 | 1 |
| 30727 | 47 | CH2 | 130.345 | |
| 34202 | 105 | CH2 | 128.457 | |
| 34216 | 45 | CH2 | 129.599 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4150 | 28 | CH2 | 82.392 | |
| 4150 | 53 | CH2 | 83.056 | |
| 4150 | 94 | CH2 | 83.192 | |
| 4150 | 97 | CH2 | 83.368 | |
| 4313 | 38 | CH2 | 118.8 | 1 |
| 4368 | 59 | CH2 | 81.00 | 1 |
| 4706 | 49 | CH2 | 74.702 | 1 |
| 4803 | 20 | CH2 | 116.8 | 1 |
| 5054 | 134 | CH2 | 114.9 | 1 |
| 5179 | 55 | CH2 | 77.320 | |
| 5179 | 56 | CH2 | 76.620 | |
| 5179 | 68 | CH2 | 76.720 | |
| 5633 | 70 | CH2 | 115.430 | |
| 5653 | 70 | CH2 | 115.430 | |
| 5678 | 52 | CH2 | 116.9 | 1 |
| 5678 | 66 | CH2 | 116.6 | 1 |
| 5798 | 80 | CH2 | 113.6 | 1 |
| 5878 | 103 | CH2 | 115.230 | 1 |
| 5929 | 122 | CH2 | 118.6 | 1 |
| 6238 | 20 | CH2 | 114.300 | 1 |
| 6238 | 47 | CH2 | 114.200 | 1 |
| 6539 | 65 | CH2 | 114.868 | 1 |
| 6559 | 14 | CH2 | 91.616 | |
| 6644 | 135 | CH2 | 114.73 | 1 |
| 6679 | 43 | CH2 | 117.436 | 1 |
| 6688 | 112 | CH2 | 118.7 | 1 |
| 6688 | 126 | CH2 | 118.38 | 1 |
| 6738 | 83 | CH2 | 113.609 | 1 |
| 6766 | 54 | CH2 | 118.351 | 1 |
| 11143 | 17 | CH2 | 118.758 | 1 |
| 11549 | 41 | CH2 | 118.813 | 1 |
| 15153 | 32 | CH2 | 47.654 | 1 |
| 15306 | 52 | CH2 | 112.427 | 1 |
| 15306 | 71 | CH2 | 113.449 | 1 |
| 15314 | 65 | CH2 | 118.871 | 1 |
| 15373 | 53 | CH2 | 118.13 | 1 |
| 15404 | 30 | CH2 | 116.322 | 1 |
| 15404 | 78 | CH2 | 118.150 | 1 |
| 15912 | 41 | CH2 | 117.70 | 1 |
| 16233 | 48 | CH2 | 118.070 | 1 |
| 16339 | 50 | CH2 | 52.990 | 1 |
| 16687 | 55 | CH2 | 118.680 | 1 |
| 16809 | 41 | CH2 | 117.70 | 1 |
| 17073 | 11 | CH2 | 62.9460 | 1 |
| 17073 | 41 | CH2 | 62.6750 | 1 |
| 17109 | 32 | CH2 | 119.217 | 1 |
| 17299 | 32 | CH2 | 119.152 | 1 |
| 18152 | 32 | CH2 | 119.217 | 1 |
| 18292 | 25 | CH2 | 119.205 | 1 |
| 18292 | 78 | CH2 | 117.027 | 1 |
| 18591 | 55 | CH2 | 118.680 | 1 |
| 19666 | 32 | CH2 | 118.252 | 1 |
| 19716 | 13 | CH2 | 40.9008 | 1 |
| 19854 | 104 | CH2 | 116.201 | 1 |
| 19881 | 7 | CH2 | 113.712 | 1 |
| 19943 | 95 | CH2 | -6.333 | |
| 19946 | 95 | CH2 | -6.333 | |
| 19967 | 98 | CH2 | 118.686 | 1 |
| 19994 | 64 | CH2 | 33.771 | |
| 25040 | 176 | CH2 | 117.758 | 1 |
| 25043 | 175 | CH2 | 118.754 | 1 |
| 25567 | 149 | CH2 | 118.733 | |
| 25738 | 4 | CH2 | 117.5 | 1 |
| 25739 | 4 | CH2 | 117.5 | 1 |
| 26552 | 46 | CH2 | 26.6529 | |
| 30221 | 43 | CH2 | 117.6020 | 1 |
| 30532 | 51 | CH2 | 115.5700 | 1 |
| 34022 | 21 | CH2 | 26.6529 | |
| 34042 | 47 | CH2 | 80.975 | |
| 34131 | 35 | CH2 | 114.26 | 1 |
| 34225 | 64 | CH2 | 113.9000 | 1 |
| 34325 | 105 | CH2 | 118.230 | 1 |