PHE C Chemical Shift Outliers
Average chemical shift: 175.5
Standard deviation: 1.945
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 5104 | 60 | C | 181.8 | 1 |
| 5968 | 68 | C | 181.800 | 1 |
| 6014 | 75 | C | 181.96 | 1 |
| 6015 | 112 | C | 181.700 | 1 |
| 6434 | 42 | C | 181.877 | 1 |
| 6434 | 50 | C | 181.871 | 1 |
| 6679 | 13 | C | 183.767 | 1 |
| 6705 | 30 | C | 182.93 | |
| 11157 | 25 | C | 182.009 | 1 |
| 15152 | 54 | C | 182.978 | 1 |
| 15152 | 75 | C | 182.078 | 1 |
| 15949 | 160 | C | 181.726 | |
| 15949 | 19 | C | 183.002 | |
| 15949 | 70 | C | 183.278 | |
| 16221 | 36 | C | 181.659 | 1 |
| 16307 | 60 | C | 182.1 | 1 |
| 16905 | 82 | C | 184.16 | 1 |
| 17016 | 128 | C | 181.55 | 1 |
| 17378 | 65 | C | 182.528 | 1 |
| 17404 | 125 | C | 182.29 | 1 |
| 17404 | 169 | C | 183.07 | 1 |
| 17404 | 87 | C | 183.13 | 1 |
| 18020 | 173 | C | 184.929 | |
| 18306 | 154 | C | 182.422 | 1 |
| 18801 | 55 | C | 181.875 | |
| 19055 | 62 | C | 182.1795 | 1 |
| 19953 | 65 | C | 182.528 | 1 |
| 26044 | 108 | C | 181.857 | 1 |
| 26314 | 36 | C | 181.661 | 1 |
| 26314 | 48 | C | 181.793 | 1 |
| 26314 | 61 | C | 181.702 | 1 |
| 26314 | 66 | C | 182.138 | 1 |
| 26314 | 96 | C | 181.615 | 1 |
| 26593 | 77 | C | 184.3 | 1 |
| 26759 | 69 | C | 182.168 | 1 |
| 26767 | 86 | C | 182.42213 | |
| 26768 | 89 | C | 182.08 | 1 |
| 26972 | 92 | C | 181.622 | 1 |
| 27067 | 41 | C | 182.153 | 1 |
| 30100 | 24 | C | 181.680 | |
| 30820 | 98 | C | 181.9490 | 1 |
| 50955 | 164 | C | 181.69 | |
| 51379 | 174 | C | 181.663 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4127 | 31 | C | 169.0 | 1 |
| 4186 | 65 | C | 169.1 | 1 |
| 4186 | 71 | C | 169.5 | 1 |
| 4353 | 11 | C | 124.3 | 1 |
| 4908 | 78 | C | 169.34 | 1 |
| 4936 | 24 | C | 169.6 | 1 |
| 5332 | 159 | C | 167.7 | 1 |
| 5407 | 82 | C | 168.324 | |
| 5514 | 27 | C | 168.71 | 1 |
| 5514 | 8 | C | 168.77 | 1 |
| 5514 | 84 | C | 168.45 | 1 |
| 5867 | 54 | C | 168.309 | 1 |
| 6073 | 23 | C | 168.77 | |
| 6130 | 66 | C | 168.98 | |
| 6331 | 38 | C | 168.664 | 1 |
| 6586 | 110 | C | 169.662 | 1 |
| 6586 | 95 | C | 168.439 | 1 |
| 6658 | 163 | C | 169.388 | 1 |
| 6730 | 28 | C | 127.647 | |
| 6730 | 90 | C | 132.243 | |
| 6903 | 19 | C | 168.9850 | 1 |
| 6904 | 19 | C | 168.720 | 1 |
| 7119 | 35 | C | 169.596 | 1 |
| 7119 | 49 | C | 166.845 | 1 |
| 7313 | 62 | C | 169.5 | 1 |
| 7313 | 70 | C | 169.2 | 1 |
| 7383 | 40 | C | 169.1 | |
| 7414 | 157 | C | 167.997 | 1 |
| 10240 | 64 | C | 168.248 | 1 |
| 10333 | 38 | C | 169.622 | 1 |
| 11001 | 68 | C | 169.6 | 1 |
| 11086 | 59 | C | 168.998 | 1 |
| 11127 | 46 | C | 169.632 | 1 |
| 11133 | 32 | C | 169.346 | 1 |
| 11148 | 104 | C | 169.449 | 1 |
| 11220 | 58 | C | 168.140 | 1 |
| 11233 | 57 | C | 168.576 | 1 |
| 11236 | 29 | C | 169.346 | 1 |
| 11242 | 54 | C | 168.782 | 1 |
| 11425 | 12 | C | 169.500 | 1 |
| 11473 | 63 | C | 169.475 | 1 |
| 15315 | 61 | C | 168.027 | 1 |
| 15315 | 89 | C | 169.377 | 1 |
| 15578 | 329 | C | 168.025 | 1 |
| 15606 | 62 | C | 169.596 | 1 |
| 15722 | 48 | C | 169.481 | 1 |
| 15912 | 33 | C | 168.98 | 1 |
| 16204 | 159 | C | 169.635 | 1 |
| 16708 | 111 | C | 169.6 | 1 |
| 16809 | 31 | C | 166.46 | 1 |
| 16809 | 47 | C | 168.79 | 1 |
| 16884 | 15 | C | 169.1 | 1 |
| 16884 | 35 | C | 169.5 | 1 |
| 16884 | 44 | C | 168.4 | 1 |
| 16884 | 55 | C | 167.2 | 1 |
| 16884 | 57 | C | 167.7 | 1 |
| 16884 | 76 | C | 169.3 | 1 |
| 16900 | 81 | C | 169.52 | 1 |
| 16937 | 194 | C | 168.478 | 1 |
| 17109 | 125 | C | 16.083 | 1 |
| 17109 | 28 | C | 15.477 | 1 |
| 17109 | 46 | C | 15.023 | 1 |
| 17443 | 77 | C | 168.348 | 1 |
| 17456 | 53 | C | 169.297 | 1 |
| 17660 | 29 | C | 169.003 | 1 |
| 17799 | 97 | C | 169.397 | 1 |
| 17806 | 75 | C | 169.375 | 1 |
| 18132 | 69 | C | 0.124 | 1 |
| 18132 | 70 | C | 0.088 | 1 |
| 18292 | 9 | C | 168.313 | 1 |
| 18388 | 160 | C | 167.848 | 1 |
| 18389 | 160 | C | 168.125 | 1 |
| 18725 | 61 | C | 169.426 | 1 |
| 19239 | 168 | C | 169.581 | 1 |
| 19560 | 156 | C | 169.64 | 1 |
| 19792 | 53 | C | 169.552 | |
| 25048 | 123 | C | 169.50 | 1 |
| 25048 | 26 | C | 169.60 | 1 |
| 25342 | 112 | C | 169.536 | 1 |
| 25379 | 107 | C | 169.196 | 1 |
| 25379 | 187 | C | 169.297 | 1 |
| 25379 | 22 | C | 169.001 | 1 |
| 25379 | 30 | C | 166.58 | 1 |
| 25704 | 14 | C | 167.230 | 1 |
| 25752 | 168 | C | 168.61 | 1 |
| 26717 | 134 | C | 168.6 | 1 |
| 26811 | 287 | C | 168.9 | 1 |
| 26985 | 71 | C | 168.9 | |
| 27019 | 95 | C | 169.058 | |
| 27209 | 109 | C | 168.199 | 1 |
| 27271 | 47 | C | 169.11 | 1 |
| 27277 | 23 | C | 169.5 | 1 |
| 27592 | 143 | C | 169.148 | 1 |
| 27774 | 128 | C | 169.099 | 1 |
| 27774 | 247 | C | 169.517 | 1 |
| 27834 | 20 | C | 168.786 | 1 |
| 27859 | 260 | C | 168.4 | |
| 28102 | 42 | C | 169.113 | 1 |
| 28103 | 42 | C | 168.447 | 1 |
| 28109 | 141 | C | 168.517 | 1 |
| 28132 | 37 | C | 169.553 | |
| 30825 | 82 | C | 168.469 | 1 |
| 34194 | 19 | C | 167.015 | 1 |
| 34396 | 20 | C | 169.0 | 1 |
| 34531 | 2 | C | 168.621 | 1 |
| 34785 | 52 | C | 167.887 | 1 |
| 50334 | 27 | C | 169.306 | 1 |
| 51179 | 44 | C | 168.578070034066 | |
| 51179 | 76 | C | 168.862070034066 | |
| 51533 | 143 | C | 168.956 | 1 |
| 51533 | 162 | C | 169.141 | 1 |
| 52087 | 27 | C | 169.374 | 1 |