PHE CZ Chemical Shift Outliers
Average chemical shift: 129.242
Standard deviation: 1.477
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4285 | 45 | CZ | 138.6 | 1 |
| 4722 | 130 | CZ | 135.2 | 1 |
| 4791 | 96 | CZ | 134 | 1 |
| 4942 | 7 | CZ | 134.57 | 1 |
| 5165 | 83 | CZ | 134.584 | 1 |
| 6371 | 32 | CZ | 135.9 | 1 |
| 6371 | 86 | CZ | 134.2 | 1 |
| 6371 | 88 | CZ | 134.2 | 1 |
| 6597 | 22 | CZ | 136.300 | 1 |
| 6688 | 110 | CZ | 134.32 | 1 |
| 11080 | 73 | CZ | 136.232 | 1 |
| 15003 | 25 | CZ | 135.707 | 1 |
| 15032 | 38 | CZ | 134.4 | 1 |
| 15466 | 26 | CZ | 135.707 | 1 |
| 15574 | 3 | CZ | 133.818 | 1 |
| 15728 | 33 | CZ | 134.622 | 1 |
| 15845 | 57 | CZ | 134.261 | 1 |
| 16175 | 123 | CZ | 136.963 | 1 |
| 16195 | 78 | CZ | 134.196 | 1 |
| 18355 | 5 | CZ | 136.944 | 1 |
| 18863 | 63 | CZ | 134.004 | 1 |
| 19229 | 16 | CZ | 138.043 | 1 |
| 19229 | 58 | CZ | 137.536 | 1 |
| 19229 | 9 | CZ | 136.760 | 1 |
| 19321 | 45 | CZ | 133.675 | 1 |
| 19321 | 89 | CZ | 134.082 | 1 |
| 19852 | 176 | CZ | 134.369 | 1 |
| 19854 | 176 | CZ | 134.369 | 1 |
| 25243 | 112 | CZ | 139.132 | |
| 25554 | 176 | CZ | 134.369 | 1 |
| 25871 | 73 | CZ | 133.683 | 1 |
| 26774 | 9 | CZ | 136.652 | 1 |
| 30891 | 13 | CZ | 147.2589 | |
| 34216 | 117 | CZ | 165.611 | |
| 34803 | 158 | CZ | 136.544 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4094 | 59 | CZ | 118.7 | 1 |
| 4150 | 68 | CZ | 50.820 | |
| 4150 | 81 | CZ | 87.866 | |
| 4368 | 19 | CZ | 69.40 | 1 |
| 4368 | 31 | CZ | 87.10 | 1 |
| 4368 | 60 | CZ | 88.40 | 1 |
| 4373 | 79 | CZ | 61.86 | 1 |
| 4590 | 10 | CZ | 118.29 | 1 |
| 4674 | 35 | CZ | 120.23 | |
| 4803 | 56 | CZ | 118.7 | 1 |
| 4804 | 56 | CZ | 118.7 | 1 |
| 5179 | 32 | CZ | 82.020 | |
| 5179 | 35 | CZ | 71.420 | |
| 5179 | 69 | CZ | 80.400 | |
| 5337 | 8 | CZ | 124.60 | 1 |
| 5678 | 107 | CZ | 117.9 | 1 |
| 5678 | 119 | CZ | 121.6 | 1 |
| 5678 | 147 | CZ | 118.9 | 1 |
| 5678 | 148 | CZ | 117.9 | 1 |
| 5678 | 62 | CZ | 124.1 | 1 |
| 5792 | 90 | CZ | 122.3 | 1 |
| 5892 | 27 | CZ | 117.510 | 1 |
| 5897 | 87 | CZ | 9.2810 | 1 |
| 5942 | 146 | CZ | 122.712 | 1 |
| 6125 | 196 | CZ | 123.5 | 1 |
| 6247 | 30 | CZ | 84.413 | |
| 6391 | 87 | CZ | 124.63 | 1 |
| 6536 | 19 | CZ | 121.384 | 1 |
| 6612 | 86 | CZ | 124.8 | |
| 6615 | 88 | CZ | 123.510 | 1 |
| 6615 | 94 | CZ | 123.510 | 1 |
| 6629 | 27 | CZ | 116.5 | 1 |
| 6679 | 13 | CZ | 124.207 | 1 |
| 6679 | 30 | CZ | 119.158 | 1 |
| 6679 | 52 | CZ | 121.578 | 1 |
| 6730 | 28 | CZ | 54.136 | |
| 6730 | 90 | CZ | 54.131 | |
| 6763 | 9 | CZ | 47.30 | |
| 6779 | 27 | CZ | 116.458 | |
| 7089 | 39 | CZ | 124.000 | 1 |
| 7089 | 98 | CZ | 123.700 | 1 |
| 10302 | 26 | CZ | 118.600 | 1 |
| 11146 | 99 | CZ | 124.584 | 1 |
| 11592 | 127 | CZ | 119.51 | 1 |
| 15312 | 12 | CZ | 120.36 | |
| 15314 | 1 | CZ | 124.658 | 1 |
| 15404 | 9 | CZ | 122.370 | 1 |
| 15485 | 67 | CZ | 124.624 | |
| 16057 | 37 | CZ | 113.600 | 1 |
| 16072 | 91 | CZ | 117.5 | 1 |
| 16195 | 110 | CZ | 123.806 | 1 |
| 16195 | 61 | CZ | 123.199 | 1 |
| 16544 | 20 | CZ | 115.100 | 1 |
| 16713 | 16 | CZ | 116.866 | 1 |
| 16713 | 78 | CZ | 124.545 | 1 |
| 16764 | 12 | CZ | 123.70 | 1 |
| 16814 | 13 | CZ | 68.275 | 1 |
| 17073 | 42 | CZ | 67.8300 | 1 |
| 17074 | 71 | CZ | 120.460 | 1 |
| 17434 | 33 | CZ | 121.569 | 1 |
| 17456 | 24 | CZ | 123.676 | 1 |
| 17456 | 5 | CZ | 124.256 | 1 |
| 17456 | 53 | CZ | 122.078 | 1 |
| 17456 | 66 | CZ | 124.649 | 1 |
| 17456 | 81 | CZ | 123.631 | 1 |
| 17598 | 22 | CZ | 122.104 | 1 |
| 17598 | 26 | CZ | 122.104 | 1 |
| 17806 | 26 | CZ | 124.650 | 1 |
| 18124 | 6 | CZ | 122.763 | 1 |
| 18229 | 89 | CZ | 117.693 | 1 |
| 18292 | 9 | CZ | 124.379 | 1 |
| 18292 | 98 | CZ | 123.448 | 1 |
| 18355 | 66 | CZ | 118.085 | 1 |
| 18732 | 70 | CZ | 121.958 | 1 |
| 18876 | 6 | CZ | 119.387 | 1 |
| 18990 | 40 | CZ | 118.1230 | 1 |
| 19433 | 47 | CZ | 124.774 | 1 |
| 19752 | 53 | CZ | 124.5600 | 1 |
| 19952 | 134 | CZ | 118.120 | 1 |
| 19952 | 3 | CZ | 119.939 | 1 |
| 20015 | 12 | CZ | 7.351 | |
| 25210 | 88 | CZ | 124.370 | 1 |
| 25243 | 68 | CZ | 120.241 | |
| 25350 | 65 | CZ | 120.022 | 1 |
| 25382 | 30 | CZ | 74.035 | |
| 25382 | 31 | CZ | 74.452 | |
| 25382 | 41 | CZ | 73.481 | |
| 25382 | 54 | CZ | 75.563 | |
| 25729 | 29 | CZ | 117.608 | 1 |
| 25859 | 39 | CZ | 124.000 | 1 |
| 25859 | 98 | CZ | 123.700 | 1 |
| 25918 | 107 | CZ | 124.4513 | 1 |
| 26552 | 57 | CZ | 35.7499 | |
| 26552 | 69 | CZ | 33.2299 | |
| 27453 | 28 | CZ | 124.346 | 1 |
| 27989 | 209 | CZ | 120.623 | 1 |
| 30098 | 87 | CZ | 121.774 | 1 |
| 30133 | 133 | CZ | 121.580 | 9 |
| 30133 | 171 | CZ | 121.945 | 9 |
| 30133 | 49 | CZ | 123.350 | 9 |
| 30133 | 76 | CZ | 121.475 | 9 |
| 30178 | 11 | CZ | 123.16 | 1 |
| 30221 | 34 | CZ | 115.6590 | 1 |
| 30532 | 11 | CZ | 119.8400 | 1 |
| 34022 | 32 | CZ | 35.7499 | |
| 34022 | 44 | CZ | 33.2299 | |
| 34041 | 83 | CZ | 124.783 | 1 |
| 34042 | 119 | CZ | 89.235 | |
| 34058 | 83 | CZ | 124.787 | 1 |
| 34058 | 98 | CZ | 124.771 | 1 |
| 34260 | 137 | CZ | 124.573 | |
| 34667 | 45 | CZ | 54.786 | |
| 34803 | 120 | CZ | 119.857 | |
| 50336 | 55 | CZ | 120.03 | 1 |
| 50804 | 54 | CZ | 119.938 | |