VAL CB Chemical Shift Outliers
Average chemical shift: 32.684
Standard deviation: 1.761
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4136 | 34 | CB | 40.40 | 1 |
| 4144 | 66 | CB | 38.6 | 1 |
| 4150 | 14 | CB | 72.729 | |
| 4150 | 36 | CB | 71.318 | |
| 4150 | 4 | CB | 72.860 | |
| 4150 | 70 | CB | 71.923 | |
| 4150 | 80 | CB | 74.252 | |
| 4232 | 45 | CB | 42.54 | 1 |
| 4232 | 65 | CB | 43.68 | 1 |
| 4232 | 80 | CB | 42.66 | 1 |
| 4232 | 83 | CB | 42.30 | 1 |
| 4299 | 113 | CB | 38.16 | 1 |
| 4300 | 113 | CB | 38.16 | 1 |
| 4339 | 86 | CB | 38.9 | 9 |
| 4349 | 2 | CB | 40.4 | 1 |
| 4385 | 69 | CB | 41.3 | 1 |
| 4391 | 52 | CB | 40.75 | 1 |
| 4425 | 79 | CB | 38.394 | 1 |
| 4426 | 79 | CB | 38.373 | 1 |
| 4486 | 108 | CB | 39.77 | 1 |
| 4779 | 63 | CB | 38.00 | 1 |
| 4817 | 37 | CB | 64.65 | 1 |
| 4874 | 62 | CB | 40.305 | 1 |
| 4984 | 62 | CB | 44 | 1 |
| 5128 | 51 | CB | 42.30 | 1 |
| 5175 | 18 | CB | 39.62 | 1 |
| 5179 | 18 | CB | 79.980 | |
| 5179 | 44 | CB | 83.080 | |
| 5179 | 66 | CB | 83.080 | |
| 5179 | 74 | CB | 83.580 | |
| 5179 | 78 | CB | 80.580 | |
| 5500 | 10 | CB | 40.554 | 1 |
| 5500 | 72 | CB | 54.421 | 9 |
| 5516 | 52 | CB | 39.8 | 1 |
| 5552 | 124 | CB | 41.71 | 1 |
| 5663 | 31 | CB | 39.64 | |
| 5700 | 162 | CB | 38.0 | 1 |
| 5701 | 106 | CB | 38.035 | 1 |
| 5861 | 11 | CB | 38.49 | 1 |
| 5861 | 45 | CB | 38.46 | 1 |
| 6021 | 139 | CB | 38.8 | 1 |
| 6074 | 120 | CB | 38.661 | 1 |
| 6299 | 11 | CB | 38.341 | 1 |
| 6311 | 103 | CB | 38.9 | 1 |
| 6322 | 41 | CB | 42.837 | 1 |
| 6356 | 69 | CB | 41.512 | |
| 6404 | 45 | CB | 38.3 | 1 |
| 6433 | 75 | CB | 38.18 | 1 |
| 6468 | 185 | CB | 40.711 | 1 |
| 6501 | 85 | CB | 54.0 | 1 |
| 6582 | 80 | CB | 41.17 | 1 |
| 6603 | 96 | CB | 39.124 | 1 |
| 6713 | 104 | CB | 38.6 | 1 |
| 6833 | 18 | CB | 40.918 | |
| 6837 | 69 | CB | 38.345 | |
| 6847 | 96 | CB | 39.124 | 1 |
| 7180 | 62 | CB | 46.0 | 1 |
| 7302 | 67 | CB | 41.283 | 1 |
| 7325 | 51 | CB | 40.023 | |
| 10089 | 30 | CB | 38.344 | 1 |
| 10115 | 34 | CB | 38.073 | 1 |
| 11157 | 21 | CB | 37.973 | 1 |
| 11442 | 76 | CB | 38.083 | 1 |
| 11453 | 16 | CB | 40.950 | 1 |
| 11453 | 59 | CB | 65.320 | 1 |
| 11492 | 71 | CB | 42.041 | 1 |
| 15162 | 125 | CB | 39.34 | 1 |
| 15162 | 60 | CB | 38.02 | 1 |
| 15177 | 16 | CB | 38.407 | 1 |
| 15248 | 189 | CB | 38.111 | 1 |
| 15505 | 14 | CB | 38.870819 | 1 |
| 15578 | 4 | CB | 38.285 | 1 |
| 15680 | 121 | CB | 38.350 | 1 |
| 15743 | 83 | CB | 38.2 | 1 |
| 15785 | 21 | CB | 45.331 | |
| 15877 | 16 | CB | 63.107 | 1 |
| 15952 | 21 | CB | 45.331 | |
| 16043 | 111 | CB | 40.9790 | 1 |
| 16168 | 22 | CB | 67.29 | 1 |
| 16188 | 138 | CB | 39.481 | 1 |
| 16334 | 71 | CB | 38.722 | 1 |
| 16501 | 22 | CB | 39.102 | 1 |
| 16615 | 32 | CB | 38.704 | 1 |
| 16729 | 159 | CB | 38.581 | 1 |
| 16729 | 223 | CB | 70.483 | 1 |
| 16729 | 253 | CB | 40.015 | 1 |
| 16729 | 254 | CB | 41.353 | 1 |
| 16729 | 265 | CB | 39.057 | 1 |
| 16729 | 323 | CB | 62.432 | 1 |
| 16729 | 325 | CB | 67.939 | 1 |
| 16780 | 14 | CB | 38.31531 | 1 |
| 16837 | 157 | CB | 40.47 | 1 |
| 16946 | 113 | CB | 41.755 | 1 |
| 16992 | 82 | CB | 38.035 | 1 |
| 17039 | 6 | CB | 38.3 | 1 |
| 17110 | 5 | CB | 38.920 | 1 |
| 17203 | 42 | CB | 41.430 | 1 |
| 17382 | 67 | CB | 38.003 | 1 |
| 17471 | 242 | CB | 40.284 | 1 |
| 17474 | 135 | CB | 43.703 | 1 |
| 17611 | 43 | CB | 38.4 | 1 |
| 17626 | 56 | CB | 60 | 1 |
| 17811 | 50 | CB | 38.091 | 1 |
| 17853 | 80 | CB | 39.848 | 1 |
| 18103 | 179 | CB | 38.0414 | 1 |
| 18137 | 60 | CB | 39.446 | 1 |
| 18321 | 238 | CB | 38.3281 | 1 |
| 18887 | 65 | CB | 38.80 | |
| 19028 | 90 | CB | 41.434 | 1 |
| 19156 | 100 | CB | 38.325 | 1 |
| 19156 | 119 | CB | 38.658 | 1 |
| 19156 | 124 | CB | 38.857 | 1 |
| 19156 | 125 | CB | 38.247 | 1 |
| 19156 | 146 | CB | 38.709 | 1 |
| 19156 | 37 | CB | 38.400 | 1 |
| 19156 | 68 | CB | 39.294 | 1 |
| 19156 | 74 | CB | 38.138 | 1 |
| 19156 | 76 | CB | 38.452 | 1 |
| 19443 | 127 | CB | 38.045 | |
| 19443 | 130 | CB | 39.450 | |
| 19443 | 62 | CB | 39.450 | |
| 19458 | 107 | CB | 63.7363 | |
| 19458 | 125 | CB | 48.0581 | |
| 19458 | 94 | CB | 40.2226 | |
| 19615 | 113 | CB | 38.546 | 1 |
| 19742 | 113 | CB | 38.436 | 1 |
| 19743 | 113 | CB | 38.137 | 1 |
| 19743 | 212 | CB | 39.855 | 1 |
| 19744 | 113 | CB | 38.436 | 1 |
| 19760 | 143 | CB | 38.054 | |
| 19838 | 90 | CB | 69.641 | 1 |
| 19844 | 113 | CB | 38.0686 | |
| 19854 | 124 | CB | 42.574 | 1 |
| 19907 | 98 | CB | 38.229 | 1 |
| 19915 | 51 | CB | 39.642 | |
| 19916 | 51 | CB | 39.068 | |
| 25140 | 57 | CB | 42.6000 | 1 |
| 25338 | 38 | CB | 38.976 | 1 |
| 25371 | 63 | CB | 43.804 | |
| 25382 | 22 | CB | 63.106 | |
| 25382 | 71 | CB | 59.909 | |
| 25442 | 21 | CB | 331.747 | |
| 25453 | 123 | CB | 43.292 | 1 |
| 25572 | 115 | CB | 41.572 | 1 |
| 25624 | 47 | CB | 38.120 | 1 |
| 25715 | 276 | CB | 40.427 | 1 |
| 25832 | 146 | CB | 39.281 | 1 |
| 25887 | 63 | CB | 38.408 | 1 |
| 25952 | 13 | CB | 69.70812 | |
| 26593 | 32 | CB | 41.46 | 1 |
| 26726 | 10 | CB | 42.401 | 1 |
| 26890 | 48 | CB | 38.010 | 1 |
| 27051 | 86 | CB | 43.054 | 1 |
| 27062 | 114 | CB | 42.019 | 1 |
| 27080 | 174 | CB | 51.724 | 1 |
| 27108 | 56 | CB | 39.821 | |
| 27121 | 144 | CB | 40.576 | |
| 27273 | 242 | CB | 40.31 | 1 |
| 27284 | 173 | CB | 38.064 | |
| 27285 | 35 | CB | 40.611 | 1 |
| 27411 | 31 | CB | 38.2 | 1 |
| 27438 | 70 | CB | 39.577 | |
| 27588 | 112 | CB | 42.278 | 1 |
| 27588 | 84 | CB | 38.908 | 1 |
| 27589 | 112 | CB | 39.700 | 1 |
| 27589 | 84 | CB | 39.324 | 1 |
| 27590 | 84 | CB | 39.000 | 1 |
| 27833 | 156 | CB | 38.641 | 1 |
| 27973 | 33 | CB | 38.19 | 1 |
| 27982 | 150 | CB | 39.4976 | 1 |
| 27983 | 150 | CB | 39.4976 | 1 |
| 30080 | 131 | CB | 38.811 | 1 |
| 30081 | 131 | CB | 38.811 | 1 |
| 30082 | 131 | CB | 38.811 | 1 |
| 30083 | 131 | CB | 38.811 | 1 |
| 30084 | 131 | CB | 38.811 | 1 |
| 30085 | 131 | CB | 38.811 | 1 |
| 30086 | 131 | CB | 38.811 | 1 |
| 30100 | 61 | CB | 38.954 | |
| 30100 | 71 | CB | 38.444 | |
| 30271 | 21 | CB | 38.714 | 1 |
| 30904 | 54 | CB | 38.44 | 1 |
| 31102 | 25 | CB | 38.309 | |
| 34121 | 87 | CB | 38.767 | 1 |
| 34202 | 87 | CB | 41.200 | |
| 34235 | 34 | CB | 38.072 | 1 |
| 34300 | 129 | CB | 38.36 | 1 |
| 34347 | 49 | CB | 38.826 | |
| 34465 | 99 | CB | 38.9 | 1 |
| 34552 | 143 | CB | 38.054 | |
| 36070 | 33 | CB | 38.874 | 1 |
| 36179 | 142 | CB | 38.078 | |
| 50002 | 35 | CB | 38.503 | 1 |
| 50022 | 127 | CB | 67.543 | |
| 50022 | 19 | CB | 40.401 | |
| 50022 | 69 | CB | 38.000 | |
| 50022 | 73 | CB | 40.521 | |
| 50173 | 118 | CB | 38.692 | 1 |
| 50312 | 103 | CB | 40.118 | 1 |
| 50313 | 103 | CB | 40.471 | 1 |
| 50421 | 52 | CB | 38.893 | |
| 50464 | 10 | CB | 38.047 | 1 |
| 50464 | 25 | CB | 38.093 | 1 |
| 50550 | 190 | CB | 38.6 | 1 |
| 50903 | 148 | CB | 38.428 | 1 |
| 50998 | 23 | CB | 40.602 | |
| 51085 | 64 | CB | 38.070 | 1 |
| 51165 | 97 | CB | 40.919 | 1 |
| 51230 | 60 | CB | 40.5 | 1 |
| 51489 | 224 | CB | 38.11 | |
| 51538 | 112 | CB | 41.1 | 1 |
| 51607 | 134 | CB | 38.75918807 | |
| 51677 | 254 | CB | 39.650 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4236 | 19 | CB | 20.24 | 1 |
| 4351 | 1 | CB | 27.267 | 1 |
| 4431 | 102 | CB | 24.1 | 1 |
| 4431 | 107 | CB | 24.2 | 1 |
| 4431 | 109 | CB | 23.2 | 1 |
| 4431 | 32 | CB | 25.1 | 1 |
| 4431 | 41 | CB | 24.2 | 1 |
| 4431 | 64 | CB | 25.1 | 1 |
| 4431 | 70 | CB | 27.2 | 1 |
| 4431 | 87 | CB | 25.8 | 1 |
| 4695 | 17 | CB | 27.3 | 1 |
| 4775 | 73 | CB | 22.04 | 1 |
| 4782 | 97 | CB | 25.31 | 1 |
| 4867 | 119 | CB | 26.7 | 1 |
| 4997 | 3 | CB | 27.34 | 1 |
| 5312 | 19 | CB | 27.1 | 1 |
| 5312 | 27 | CB | 26.3 | 1 |
| 5312 | 47 | CB | 25.3 | 1 |
| 5547 | 39 | CB | 26.8 | 1 |
| 5547 | 48 | CB | 25.7 | 1 |
| 5752 | 25 | CB | 27.111 | 1 |
| 5764 | 104 | CB | 26.272 | 1 |
| 5856 | 93 | CB | 27.350 | 1 |
| 5929 | 94 | CB | 27.4 | 1 |
| 6348 | 28 | CB | 27.4 | |
| 6348 | 30 | CB | 26.9 | |
| 6350 | 3 | CB | 25.76 | 1 |
| 6402 | 22 | CB | 27.333 | 1 |
| 6580 | 13 | CB | 26.2 | 1 |
| 6583 | 76 | CB | 26.56 | 1 |
| 6586 | 10 | CB | 23.883 | 1 |
| 6586 | 121 | CB | 23.458 | 1 |
| 6586 | 37 | CB | 24.591 | 1 |
| 6586 | 40 | CB | 20.554 | 1 |
| 6586 | 49 | CB | 22.084 | 9 |
| 6586 | 57 | CB | 23.713 | 1 |
| 6586 | 67 | CB | 23.387 | 1 |
| 6837 | 46 | CB | 27.104 | |
| 6903 | 69 | CB | 25.8740 | 1 |
| 6904 | 69 | CB | 25.860 | 1 |
| 6956 | 89 | CB | 27.379 | 1 |
| 6986 | 36 | CB | 27.2 | 1 |
| 7359 | 86 | CB | 27.133 | 1 |
| 7360 | 86 | CB | 27.178 | 1 |
| 11001 | 71 | CB | 26.4 | 1 |
| 11133 | 98 | CB | 26.729 | 1 |
| 11141 | 115 | CB | 27.252 | 1 |
| 15070 | 120 | CB | 26.16 | 1 |
| 15071 | 120 | CB | 26.29 | 1 |
| 15073 | 120 | CB | 27.03 | 1 |
| 15738 | 23 | CB | 27.396 | 1 |
| 15955 | 102 | CB | 27.3 | 1 |
| 16057 | 22 | CB | 26.120 | 1 |
| 16100 | 60 | CB | 26.992 | 1 |
| 16337 | 185 | CB | 27.4 | 9 |
| 16729 | 213 | CB | 17.347 | 1 |
| 16729 | 225 | CB | 17.675 | 1 |
| 16729 | 95 | CB | 17.208 | 1 |
| 16884 | 38 | CB | 26.7 | 1 |
| 16884 | 64 | CB | 25.7 | 1 |
| 16887 | 67 | CB | 27.002 | 1 |
| 16888 | 68 | CB | 27.002 | 1 |
| 16889 | 68 | CB | 27.002 | 1 |
| 16940 | 208 | CB | 27.35 | 1 |
| 16940 | 289 | CB | 27.11 | 1 |
| 16984 | 208 | CB | 26.810 | 1 |
| 16984 | 245 | CB | 26.316 | 1 |
| 17162 | 63 | CB | 26.851 | 1 |
| 17163 | 63 | CB | 26.977 | 1 |
| 17236 | 86 | CB | 26.6 | 1 |
| 17456 | 41 | CB | 27.158 | 1 |
| 17456 | 46 | CB | 27.282 | 1 |
| 17456 | 64 | CB | 25.540 | 1 |
| 17456 | 75 | CB | 25.729 | 1 |
| 17456 | 9 | CB | 26.932 | 1 |
| 17529 | 43 | CB | 26.699 | 1 |
| 17660 | 132 | CB | 26.737 | 1 |
| 17781 | 42 | CB | 26.192 | 1 |
| 17781 | 96 | CB | 27.317 | 1 |
| 17782 | 40 | CB | 26.549 | 1 |
| 17827 | 34 | CB | 27.060 | 1 |
| 18217 | 30 | CB | 26.97 | 1 |
| 18396 | 61 | CB | 25.069 | 1 |
| 18603 | 157 | CB | 26.801 | 1 |
| 18609 | 163 | CB | 26.956 | 1 |
| 18609 | 246 | CB | 27.286 | 1 |
| 18706 | 9 | CB | 25.152 | 1 |
| 18969 | 14 | CB | 17.793 | 1 |
| 19063 | 19 | CB | 23.817 | |
| 19063 | 21 | CB | 22.503 | |
| 19063 | 48 | CB | 22.78 | |
| 19063 | 49 | CB | 20.292 | |
| 19063 | 63 | CB | 24.439 | |
| 19063 | 76 | CB | 21.881 | |
| 19272 | 283 | CB | 26.589 | 1 |
| 19443 | 50 | CB | 22.080 | |
| 19542 | 9 | CB | 26.812 | 1 |
| 19560 | 209 | CB | 27.24 | 1 |
| 19560 | 251 | CB | 27.03 | 1 |
| 19589 | 158 | CB | 27.348 | 1 |
| 19776 | 135 | CB | 27.370 | |
| 19803 | 188 | CB | 27.250 | 1 |
| 19852 | 101 | CB | 27.054 | 1 |
| 19852 | 45 | CB | 17.099 | 1 |
| 19852 | 96 | CB | 24.126 | 1 |
| 19854 | 101 | CB | 27.054 | 1 |
| 19854 | 45 | CB | 17.099 | 1 |
| 19854 | 96 | CB | 24.126 | 1 |
| 25379 | 12 | CB | 27.338 | 1 |
| 25379 | 124 | CB | 27.364 | 1 |
| 25379 | 180 | CB | 26.774 | 1 |
| 25379 | 189 | CB | 27.323 | 1 |
| 25379 | 88 | CB | 24.705 | 1 |
| 25394 | 78 | CB | 15.597025 | 1 |
| 25554 | 101 | CB | 27.054 | 1 |
| 25554 | 45 | CB | 17.099 | 1 |
| 25554 | 96 | CB | 24.126 | 1 |
| 25588 | 35 | CB | 26.950 | 1 |
| 25792 | 55 | CB | 26.976 | |
| 25792 | 59 | CB | 26.709 | |
| 26647 | 147 | CB | 26.86 | 1 |
| 26681 | 121 | CB | 27.235 | 1 |
| 26741 | 25 | CB | 26.264 | |
| 26742 | 25 | CB | 26.4 | |
| 26792 | 9 | CB | 26.8 | 1 |
| 26848 | 128 | CB | 27.344 | 1 |
| 26848 | 183 | CB | 26.296 | 1 |
| 26848 | 195 | CB | 26.770 | 1 |
| 26848 | 62 | CB | 27.331 | 1 |
| 26851 | 128 | CB | 27.368 | 1 |
| 26851 | 183 | CB | 26.293 | 1 |
| 26851 | 195 | CB | 26.738 | 1 |
| 26851 | 62 | CB | 27.208 | 1 |
| 26889 | 33 | CB | 26.83 | 1 |
| 26889 | 39 | CB | 27.33 | 1 |
| 27026 | 107 | CB | 18.97 | 1 |
| 27121 | 210 | CB | 27.234 | |
| 27121 | 227 | CB | 24.648 | |
| 27121 | 75 | CB | 27.357 | |
| 27122 | 210 | CB | 27.234 | |
| 27122 | 227 | CB | 24.648 | |
| 27122 | 75 | CB | 27.357 | |
| 27622 | 14 | CB | 27.19 | |
| 27709 | 4 | CB | 27.355 | 1 |
| 27795 | 170 | CB | 27.349 | |
| 27859 | 68 | CB | 27.2 | |
| 27969 | 130 | CB | 26.208 | 1 |
| 30195 | 121 | CB | 27.235 | 1 |
| 30375 | 98 | CB | 26.729 | |
| 30889 | 20 | CB | 27.072 | |
| 31030 | 14 | CB | 27.039 | 1 |
| 34453 | 55 | CB | 27.051 | 1 |
| 34478 | 11 | CB | 25.4 | 1 |
| 36129 | 76 | CB | 26.623 | |
| 36343 | 9 | CB | 27.0 | 1 |
| 50022 | 47 | CB | 26.501 | |
| 50022 | 91 | CB | 17.996 | |
| 50299 | 74 | CB | 25.077 | |
| 50434 | 96 | CB | 26.9000 | 1 |
| 50681 | 45 | CB | 26.841 | 1 |
| 50691 | 24 | CB | 27.029 | |
| 50694 | 230 | CB | 17.205 | |
| 51050 | 184 | CB | 26.698 | |
| 51061 | 112 | CB | 27.268 | |
| 51065 | 41 | CB | 27.111 | |
| 51066 | 75 | CB | 27.183 | |
| 51380 | 158 | CB | 26.826 | |
| 51380 | 166 | CB | 27.307 | |
| 51380 | 99 | CB | 26.849 | |
| 51419 | 57 | CB | 26.255 | 1 |
| 51456 | 42 | CB | 27.096 | 1 |
| 51515 | 247 | CB | 27.36 | |
| 51539 | 60 | CB | 19.19 | 1 |
| 51659 | 22 | CB | 24.11 | 1 |
| 51676 | 229 | CB | 27.293 | 1 |
| 51677 | 229 | CB | 27.273 | 1 |
| 52146 | 44 | CB | 26.96837974 | |