ASP CB Chemical Shift Outliers
Average chemical shift: 40.879
Standard deviation: 2.432
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4074 | 86 | CB | 74.38 | 1 |
| 4115 | 62 | CB | 138.16 | 1 |
| 4150 | 108 | CB | 80.940 | |
| 4150 | 2 | CB | 81.369 | |
| 4150 | 49 | CB | 80.350 | |
| 4150 | 60 | CB | 81.484 | |
| 4150 | 72 | CB | 78.985 | |
| 4150 | 89 | CB | 80.379 | |
| 4150 | 96 | CB | 80.745 | |
| 4232 | 27 | CB | 51.14 | 1 |
| 4232 | 30 | CB | 50.99 | 1 |
| 4232 | 32 | CB | 52.23 | 1 |
| 4232 | 36 | CB | 54.62 | 1 |
| 4232 | 5 | CB | 50.92 | 1 |
| 4232 | 59 | CB | 50.67 | 1 |
| 4232 | 66 | CB | 51.38 | 1 |
| 4232 | 68 | CB | 51.39 | 1 |
| 4232 | 74 | CB | 53.42 | 1 |
| 4232 | 89 | CB | 52.12 | 1 |
| 4301 | 124 | CB | 48.3 | 1 |
| 4575 | 114 | CB | 49.0 | 1 |
| 5179 | 42 | CB | 88.880 | |
| 5179 | 5 | CB | 89.080 | |
| 5618 | 234 | CB | 48.53 | 1 |
| 5663 | 52 | CB | 58.51 | |
| 5679 | 21 | CB | 48.8 | 1 |
| 5772 | 31 | CB | 48.64 | 1 |
| 6762 | 35 | CB | 51.091 | |
| 10125 | 74 | CB | 49.135 | 1 |
| 15388 | 2 | CB | 57.830 | 1 |
| 15743 | 40 | CB | 48.5 | 1 |
| 15877 | 17 | CB | 72.278 | 1 |
| 15877 | 5 | CB | 71.191 | 1 |
| 15877 | 6 | CB | 71.552 | 1 |
| 15877 | 7 | CB | 71.933 | 1 |
| 16364 | 68 | CB | 48.5 | 1 |
| 18001 | 50 | CB | 48.4 | 1 |
| 18469 | 40 | CB | 48.444 | 1 |
| 18496 | 40 | CB | 48.656 | 1 |
| 18696 | 62 | CB | 54.947 | 1 |
| 18697 | 62 | CB | 54.893 | 1 |
| 19411 | 50 | CB | 63.2 | 1 |
| 19854 | 213 | CB | 49.607 | 1 |
| 19855 | 41 | CB | 51.949 | 1 |
| 25278 | 64 | CB | 55.9 | 1 |
| 25382 | 16 | CB | 68.439 | |
| 25382 | 3 | CB | 68.941 | |
| 25382 | 77 | CB | 69.992 | |
| 25442 | 19 | CB | 340.189 | |
| 25442 | 2 | CB | 341.273 | |
| 25727 | 41 | CB | 48.582 | |
| 25728 | 41 | CB | 48.464 | |
| 26860 | 75 | CB | 56.32304925 | |
| 34534 | 164 | CB | 48.2290 | |
| 50022 | 110 | CB | 68.140 | |
| 50022 | 152 | CB | 60.980 | |
| 50022 | 52 | CB | 67.541 | |
| 50391 | 164 | CB | 48.229 | |
| 50582 | 63 | CB | 62.547 | |
| 52158 | 153 | CB | 49.449 | 1 |
| 52270 | 217 | CB | 54.690 | |
| 52363 | 23 | CB | 48.480 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4070 | 180 | CB | 32.6 | 1 |
| 4267 | 48 | CB | 32.40 | 1 |
| 4284 | 122 | CB | 29.505 | 1 |
| 4431 | 133 | CB | 33.2 | 1 |
| 4431 | 72 | CB | 33.2 | 1 |
| 4431 | 90 | CB | 31.4 | 1 |
| 4894 | 90 | CB | 31.0 | |
| 5175 | 17 | CB | 30.16 | 1 |
| 5221 | 184 | CB | 32.869 | 1 |
| 5592 | 76 | CB | 25.7 | 1 |
| 5679 | 104 | CB | 32.5 | 1 |
| 6249 | 100 | CB | 30.940 | 1 |
| 6254 | 72 | CB | 30.802 | 1 |
| 6322 | 40 | CB | 33.449 | 1 |
| 6404 | 46 | CB | 31 | 1 |
| 6493 | 5 | CB | 28.40 | 1 |
| 6583 | 25 | CB | 28 | 1 |
| 6586 | 112 | CB | 32.453 | 1 |
| 6586 | 27 | CB | 32.240 | 1 |
| 6586 | 28 | CB | 33.019 | 1 |
| 6586 | 54 | CB | 32.736 | 1 |
| 6625 | 115 | CB | 31.340 | 1 |
| 6625 | 85 | CB | 31.980 | 1 |
| 6725 | 87 | CB | 30.27 | 1 |
| 7130 | 145 | CB | 29.560 | 1 |
| 7181 | 75 | CB | 31.1 | 1 |
| 7192 | 27 | CB | 30.3 | 1 |
| 7356 | 59 | CB | 33.052 | 1 |
| 11059 | 8 | CB | 16 | 1 |
| 11453 | 14 | CB | 29.046 | 1 |
| 11453 | 33 | CB | 28.088 | 1 |
| 11453 | 41 | CB | 32.637 | 1 |
| 11453 | 44 | CB | 32.492 | 1 |
| 11453 | 63 | CB | 30.193 | 1 |
| 11540 | 35 | CB | 32.230 | 1 |
| 11596 | 22 | CB | 18.465 | 1 |
| 15007 | 24 | CB | 9.7 | 1 |
| 15158 | 100 | CB | 30.94 | 1 |
| 15324 | 50 | CB | 31.070 | 1 |
| 15882 | 99 | CB | 19.488 | 1 |
| 15960 | 29 | CB | 30.26 | |
| 16050 | 24 | CB | 27.48 | 1 |
| 16337 | 162 | CB | 32.8 | 1 |
| 16367 | 251 | CB | 29.64 | 1 |
| 16501 | 127 | CB | 28.736 | 1 |
| 16729 | 131 | CB | 28.799 | 1 |
| 16729 | 136 | CB | 27.593 | 1 |
| 16729 | 162 | CB | 17.692 | 1 |
| 16729 | 169 | CB | 30.754 | 1 |
| 16729 | 269 | CB | 17.716 | 1 |
| 16729 | 277 | CB | 30.203 | 1 |
| 16729 | 320 | CB | 31.455 | 1 |
| 16837 | 79 | CB | 31.18 | 1 |
| 16984 | 273 | CB | 31.149 | 1 |
| 16984 | 44 | CB | 31.397 | 1 |
| 17626 | 74 | CB | 30.45 | 1 |
| 17640 | 79 | CB | 17.1450 | 1 |
| 17693 | 15 | CB | 30.350 | 1 |
| 17693 | 20 | CB | 18.450 | 1 |
| 17693 | 23 | CB | 31.568 | 1 |
| 17755 | 117 | CB | 32.9010 | 1 |
| 17940 | 176 | CB | 29.5 | 1 |
| 17940 | 177 | CB | 27.912 | 1 |
| 17948 | 48 | CB | 30.700 | 1 |
| 18316 | 3 | CB | 29.68 | 1 |
| 18609 | 191 | CB | 27.736 | 1 |
| 18609 | 194 | CB | 25.007 | 1 |
| 19063 | 23 | CB | 28.448 | |
| 19063 | 32 | CB | 31.213 | |
| 19063 | 45 | CB | 33.493 | |
| 19063 | 51 | CB | 32.318 | |
| 19063 | 70 | CB | 30.314 | |
| 19443 | 138 | CB | 32.412 | |
| 19458 | 122 | CB | 30.6504 | |
| 19458 | 58 | CB | 19.1000 | |
| 19825 | 122 | CB | 28.787 | 1 |
| 19857 | 61 | CB | 33.101 | 1 |
| 25027 | 26 | CB | 30.663 | 1 |
| 25088 | 67 | CB | 30.484 | 1 |
| 25281 | 67 | CB | 29.87 | |
| 25510 | 44 | CB | 31.932 | 1 |
| 25573 | 8 | CB | 26.5008 | 1 |
| 25693 | 64 | CB | 33.377 | 1 |
| 25701 | 125 | CB | 31.39 | 1 |
| 25754 | 9 | CB | 32.778 | 1 |
| 26592 | 30 | CB | 30.011 | |
| 26780 | 20 | CB | 29.600 | 1 |
| 26942 | 78 | CB | 32.120 | 1 |
| 27043 | 124 | CB | 32.395 | 1 |
| 27121 | 196 | CB | 31.566 | |
| 27122 | 196 | CB | 30.528 | |
| 27314 | 117 | CB | 30.7239 | 1 |
| 27411 | 84 | CB | 32.9 | 1 |
| 30021 | 150 | CB | 32.94 | 1 |
| 30800 | 25 | CB | 32.4340 | |
| 34347 | 242 | CB | 30.783 | |
| 34734 | 8 | CB | 32.7 | 1 |
| 36001 | 89 | CB | 32.839 | |
| 50022 | 103 | CB | 16.542 | |
| 50022 | 118 | CB | 29.090 | |
| 50022 | 60 | CB | 31.080 | |
| 50035 | 48 | CB | 31.4500 | 1 |
| 50120 | 24 | CB | 31.954 | 1 |
| 50213 | 14 | CB | 29.321 | 1 |
| 50446 | 138 | CB | 33.254 | |
| 50945 | 89 | CB | 32.848 | 1 |
| 51314 | 59 | CB | 32.881 | |
| 51437 | 122 | CB | 29.342 | 1 |
| 51538 | 114 | CB | 32.79 | 1 |
| 51677 | 272 | CB | 28.862 | 1 |
| 51824 | 115 | CB | 27.554 | 1 |
| 52146 | 129 | CB | 32.43928637 | |
| 52156 | 77 | CB | 30.111 | |
| 52244 | 68 | CB | 30.150000 | |