TRP CZ2 Chemical Shift Outliers
Average chemical shift: 114.276
Standard deviation: 1.422
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4082 | 3 | CZ2 | 119.2 | 3 |
| 4114 | 100 | CZ2 | 125.052 | 1 |
| 4267 | 32 | CZ2 | 118.9 | 1 |
| 4302 | 32 | CZ2 | 125.7 | 1 |
| 4706 | 49 | CZ2 | 122.054 | 1 |
| 5054 | 134 | CZ2 | 124.9 | 1 |
| 5126 | 36 | CZ2 | 121.940 | |
| 5126 | 58 | CZ2 | 124.950 | |
| 5145 | 127 | CZ2 | 134.7 | 1 |
| 5798 | 80 | CZ2 | 124.1 | 1 |
| 5878 | 103 | CZ2 | 124.060 | 1 |
| 5931 | 113 | CZ2 | 118.666 | 2 |
| 6007 | 92 | CZ2 | 120.87 | 1 |
| 6539 | 65 | CZ2 | 123.759 | 1 |
| 6738 | 83 | CZ2 | 123.497 | 3 |
| 11490 | 121 | CZ2 | 119.19 | 1 |
| 11495 | 121 | CZ2 | 119.395 | 1 |
| 15306 | 52 | CZ2 | 119.597 | 1 |
| 15306 | 71 | CZ2 | 121.089 | 1 |
| 15877 | 8 | CZ2 | 144.030 | 1 |
| 15941 | 87 | CZ2 | 129.970 | 1 |
| 16233 | 48 | CZ2 | 133.930 | 4 |
| 16388 | 141 | CZ2 | 127.6 | 1 |
| 17344 | 48 | CZ2 | 119.230 | |
| 17434 | 16 | CZ2 | 125.320 | 4 |
| 17670 | 77 | CZ2 | 119.941 | 1 |
| 17799 | 117 | CZ2 | 118.543 | 1 |
| 18876 | 10 | CZ2 | 122.317 | 1 |
| 18956 | 40 | CZ2 | 132.031 | 1 |
| 19109 | 58 | CZ2 | 119.679 | 1 |
| 19237 | 11 | CZ2 | 121.369 | |
| 19321 | 67 | CZ2 | 124.823 | 1 |
| 19589 | 182 | CZ2 | 122.676 | 1 |
| 19777 | 43 | CZ2 | 121.450 | |
| 25050 | 11 | CZ2 | 121.201 | 1 |
| 25454 | 26 | CZ2 | 118.818 | 1 |
| 25454 | 27 | CZ2 | 118.806 | 1 |
| 25493 | 81 | CZ2 | 123.1 | 1 |
| 25761 | 9 | CZ2 | 119.175 | |
| 26774 | 136 | CZ2 | 119.741 | 1 |
| 30793 | 1 | CZ2 | 121.762 | 1 |
| 34131 | 35 | CZ2 | 123.86 | 1 |
| 34202 | 105 | CZ2 | 123.455 | |
| 34202 | 45 | CZ2 | 121.704 | |
| 34216 | 107 | CZ2 | 124.596 | |
| 34216 | 45 | CZ2 | 159.041 | |
| 34225 | 64 | CZ2 | 122.6000 | 1 |
| 34470 | 1 | CZ2 | 121.94 | 1 |
| 36404 | 18 | CZ2 | 119.852 | 1 |
| 51070 | 26 | CZ2 | 120.1070 | 1 |
| 51713 | 80 | CZ2 | 128.563 | 1 |
| 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 | CZ2 | 74.795 | |
| 4150 | 53 | CZ2 | 73.750 | |
| 4150 | 94 | CZ2 | 75.089 | |
| 4150 | 97 | CZ2 | 74.509 | |
| 4368 | 59 | CZ2 | 73.40 | 1 |
| 5179 | 55 | CZ2 | 66.620 | |
| 5179 | 56 | CZ2 | 66.720 | |
| 5179 | 68 | CZ2 | 66.720 | |
| 5633 | 50 | CZ2 | 102.406 | |
| 5653 | 50 | CZ2 | 102.406 | |
| 6308 | 32 | CZ2 | 39.630 | |
| 6559 | 14 | CZ2 | 81.812 | |
| 6766 | 54 | CZ2 | 109.531 | 1 |
| 6776 | 61 | CZ2 | 45.448 | 1 |
| 15912 | 10 | CZ2 | 109.79 | 1 |
| 16119 | 41 | CZ2 | 7.375 | 3 |
| 16179 | 10 | CZ2 | 109.500 | 3 |
| 16180 | 10 | CZ2 | 109.500 | 3 |
| 16181 | 10 | CZ2 | 109.600 | 3 |
| 16339 | 30 | CZ2 | 44.240 | 3 |
| 16339 | 50 | CZ2 | 44.239 | 3 |
| 16671 | 10 | CZ2 | 109.500 | 3 |
| 16809 | 8 | CZ2 | 109.72 | 1 |
| 16809 | 8 | CZ2 | 109.79 | 1 |
| 17073 | 11 | CZ2 | 83.2750 | 3 |
| 17073 | 41 | CZ2 | 83.0620 | 3 |
| 17109 | 32 | CZ2 | 105.280 | 1 |
| 17456 | 37 | CZ2 | 109.526 | 1 |
| 18152 | 32 | CZ2 | 105.280 | 1 |
| 18260 | 26 | CZ2 | 103.184 | 1 |
| 18292 | 25 | CZ2 | 109.100 | 1 |
| 18292 | 78 | CZ2 | 109.577 | 1 |
| 18852 | 16 | CZ2 | 62.373 | 1 |
| 19627 | 91 | CZ2 | 108.929 | 1 |
| 19716 | 13 | CZ2 | 30.7281 | 1 |
| 19970 | 64 | CZ2 | 14.923 | |
| 19994 | 64 | CZ2 | 54.037 | |
| 25342 | 13 | CZ2 | 109.100 | 1 |
| 25342 | 130 | CZ2 | 109.726 | 1 |
| 25342 | 87 | CZ2 | 109.852 | 1 |
| 25379 | 38 | CZ2 | 108.994 | 1 |
| 25567 | 87 | CZ2 | 109.952 | |
| 25679 | 30 | CZ2 | 7.107 | |
| 25738 | 4 | CZ2 | 107.5 | 1 |
| 25739 | 4 | CZ2 | 107.5 | 1 |
| 26552 | 46 | CZ2 | 50.2406 | |
| 27251 | 42 | CZ2 | 109.796 | 1 |
| 34022 | 21 | CZ2 | 50.2406 | |
| 34042 | 47 | CZ2 | 74.595 | |
| 34325 | 105 | CZ2 | 102.990 | 4 |