MET CB Chemical Shift Outliers
Average chemical shift: 32.908
Standard deviation: 2.128
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4027 | 108 | CB | 39.7 | 1 |
| 4027 | 42 | CB | 39.8 | 1 |
| 4082 | 85 | CB | 39.6 | 1 |
| 4150 | 1 | CB | 74.762 | |
| 4150 | 86 | CB | 75.809 | |
| 4232 | 18 | CB | 43.64 | 1 |
| 4232 | 28 | CB | 42.84 | 1 |
| 4232 | 3 | CB | 43.13 | 1 |
| 4232 | 46 | CB | 43.85 | 1 |
| 4232 | 48 | CB | 44.02 | 1 |
| 4232 | 81 | CB | 41.56 | 1 |
| 4232 | 82 | CB | 41.11 | 1 |
| 4232 | 86 | CB | 45.88 | 1 |
| 4282 | 94 | CB | 40.5 | 1 |
| 4354 | 224 | CB | 39.522 | 1 |
| 4438 | 75 | CB | 40.2 | 1 |
| 4554 | 42 | CB | 39.636 | 1 |
| 4664 | 36 | CB | 39.48 | 1 |
| 4679 | 26 | CB | 40.6100 | |
| 4697 | 9 | CB | 41.600 | |
| 4720 | 79 | CB | 40.754 | 1 |
| 4831 | 105 | CB | 39.6 | |
| 4901 | 48 | CB | 39.63 | 1 |
| 4908 | 62 | CB | 39.38 | 1 |
| 4944 | 1 | CB | 40.92 | 1 |
| 4983 | 228 | CB | 39.45 | 1 |
| 4986 | 224 | CB | 39.700 | 1 |
| 4987 | 224 | CB | 39.600 | 1 |
| 5179 | 16 | CB | 83.380 | |
| 5232 | 30 | CB | 40.4 | 1 |
| 5232 | 84 | CB | 39.6 | 1 |
| 5468 | 194 | CB | 39.395 | 1 |
| 5663 | 50 | CB | 40.74 | |
| 5740 | 42 | CB | 40.47 | 1 |
| 5741 | 42 | CB | 39.90 | 1 |
| 5822 | 51 | CB | 39.32 | 1 |
| 5823 | 169 | CB | 39.32 | 1 |
| 5954 | 25 | CB | 46.46 | 1 |
| 5973 | 37 | CB | 39.589 | |
| 5981 | 52 | CB | 39.857 | 1 |
| 6024 | 92 | CB | 39.428 | 1 |
| 6053 | 111 | CB | 39.77 | 1 |
| 6054 | 111 | CB | 39.78 | 1 |
| 6120 | 1 | CB | 42.9 | 1 |
| 6142 | 143 | CB | 44.9 | 1 |
| 6232 | 57 | CB | 40.193 | 1 |
| 6261 | 35 | CB | 39.33 | 1 |
| 6357 | 92 | CB | 40.407 | 1 |
| 6367 | 17 | CB | 39.5 | 1 |
| 6392 | 52 | CB | 39.40 | 1 |
| 6393 | 52 | CB | 39.42 | 1 |
| 6456 | 35 | CB | 39.58 | 1 |
| 6501 | 101 | CB | 41.4 | 1 |
| 6605 | 126 | CB | 40.71 | |
| 6725 | 9 | CB | 40.78 | 1 |
| 7089 | 26 | CB | 39.350 | 1 |
| 7114 | 224 | CB | 40.65 | 1 |
| 7151 | 1 | CB | 42.4 | 1 |
| 7236 | 92 | CB | 40.438 | 1 |
| 10125 | 13 | CB | 39.721 | 1 |
| 10126 | 57 | CB | 39.626 | 1 |
| 10129 | 57 | CB | 39.447 | 1 |
| 11012 | 77 | CB | 40.103 | 1 |
| 11102 | 85 | CB | 39.855 | 1 |
| 11109 | 65 | CB | 39.614 | 1 |
| 11284 | 10 | CB | 39.296 | 1 |
| 11290 | 46 | CB | 41.471 | 1 |
| 11315 | 38 | CB | 39.770 | 1 |
| 11453 | 39 | CB | 44.320 | 1 |
| 11453 | 45 | CB | 41.759 | 1 |
| 11492 | 42 | CB | 40.541 | 1 |
| 11556 | 42 | CB | 40.158 | 1 |
| 15101 | 22 | CB | 40.241 | 1 |
| 15112 | 126 | CB | 39.355 | 1 |
| 15172 | 1 | CB | 40.7 | 1 |
| 15190 | 25 | CB | 40.260 | 1 |
| 15353 | 1 | CB | 40.858 | 1 |
| 15634 | 17 | CB | 39.652 | 1 |
| 15670 | 33 | CB | 39.490 | 1 |
| 15671 | 33 | CB | 42.358 | 1 |
| 15850 | 16 | CB | 42.112 | 1 |
| 15877 | 1 | CB | 62.922 | 1 |
| 15913 | 78 | CB | 40.6500 | 1 |
| 15917 | 98 | CB | 40.234 | 1 |
| 16052 | 85 | CB | 39.520 | 1 |
| 16161 | 37 | CB | 39.335 | 1 |
| 16368 | 2 | CB | 76.0 | 1 |
| 16448 | 3 | CB | 39.633 | 1 |
| 16534 | 10 | CB | 41.973 | 1 |
| 16598 | 92 | CB | 40.400 | 1 |
| 16673 | 93 | CB | 40.032 | 1 |
| 16682 | 36 | CB | 39.7 | 1 |
| 16729 | 174 | CB | 43.110 | 1 |
| 16729 | 301 | CB | 40.337 | 1 |
| 16840 | 37 | CB | 40.585 | 1 |
| 16922 | 26 | CB | 41.091 | 1 |
| 16928 | 125 | CB | 39.355 | 1 |
| 17077 | 8 | CB | 40.246 | 1 |
| 17161 | 1 | CB | 39.74 | 1 |
| 17277 | 91 | CB | 39.469 | 1 |
| 17415 | 183 | CB | 39.4 | 1 |
| 17479 | 22 | CB | 39.477 | 1 |
| 17551 | 71 | CB | 39.844 | 1 |
| 17577 | 36 | CB | 39.6 | 1 |
| 17670 | 123 | CB | 39.430 | 1 |
| 17946 | 43 | CB | 40.53 | 1 |
| 18229 | 59 | CB | 39.549 | 1 |
| 18321 | 16 | CB | 41.1145 | 1 |
| 18333 | 16 | CB | 41.1145 | 1 |
| 18390 | 1 | CB | 39.480 | 1 |
| 18601 | 18 | CB | 53.258 | 1 |
| 18601 | 183 | CB | 51.987 | 1 |
| 18942 | 109 | CB | 39.36 | 1 |
| 19126 | 1 | CB | 41.395 | 1 |
| 19231 | 95 | CB | 39.3640 | 1 |
| 19398 | 24 | CB | 40.577 | 1 |
| 19463 | 10 | CB | 39.331 | 1 |
| 19567 | 53 | CB | 39.590 | 1 |
| 19760 | 140 | CB | 39.588 | |
| 19791 | 59 | CB | 39.417 | 1 |
| 19854 | 179 | CB | 39.351 | 1 |
| 19858 | 18 | CB | 39.351 | 1 |
| 19976 | 88 | CB | 40.116 | 1 |
| 19994 | 8 | CB | 39.885 | |
| 25003 | 88 | CB | 40.1139 | |
| 25019 | 42 | CB | 40.232 | 1 |
| 25237 | 224 | CB | 40.062 | 1 |
| 25240 | 92 | CB | 39.623 | 1 |
| 25382 | 21 | CB | 61.689 | |
| 25382 | 60 | CB | 59.471 | |
| 25382 | 66 | CB | 59.677 | |
| 25442 | 13 | CB | 332.173 | |
| 25540 | 59 | CB | 39.392 | 1 |
| 25584 | 59 | CB | 39.312 | 1 |
| 25727 | 79 | CB | 40.46 | |
| 25728 | 79 | CB | 40.623 | |
| 25802 | 72 | CB | 39.381 | 1 |
| 25859 | 26 | CB | 39.350 | 1 |
| 25860 | 108 | CB | 39.62 | 1 |
| 25860 | 42 | CB | 39.92 | 1 |
| 25861 | 42 | CB | 39.59 | 1 |
| 25879 | 45 | CB | 58.942 | |
| 25896 | 132 | CB | 58.942 | |
| 26551 | 68 | CB | 40.173 | 1 |
| 26552 | 56 | CB | 41.045 | |
| 26585 | 42 | CB | 39.849 | 1 |
| 26586 | 92 | CB | 40.5324 | 1 |
| 26590 | 92 | CB | 40.4888 | 1 |
| 26615 | 262 | CB | 40.53 | 1 |
| 26694 | 108 | CB | 39.82 | 1 |
| 26695 | 108 | CB | 39.8 | 1 |
| 26717 | 88 | CB | 40.6 | 1 |
| 26751 | 168 | CB | 40.9541 | 1 |
| 26915 | 27 | CB | 40.804 | 1 |
| 26936 | 33 | CB | 41.350 | 1 |
| 26937 | 33 | CB | 41.370 | 1 |
| 27029 | 108 | CB | 39.648 | 1 |
| 27062 | 77 | CB | 41.998 | 1 |
| 27083 | 177 | CB | 39.674 | |
| 27285 | 139 | CB | 41.314 | 1 |
| 27438 | 12 | CB | 41.714 | |
| 27536 | 110 | CB | 39.9 | 1 |
| 27595 | 1 | CB | 42.304 | 1 |
| 27617 | 92 | CB | 40.6 | 1 |
| 27869 | 48 | CB | 39.804 | 1 |
| 27950 | 69 | CB | 40.083 | 1 |
| 30101 | 136 | CB | 39.702 | 1 |
| 30101 | 148 | CB | 40.693 | 1 |
| 30737 | 10 | CB | 39.331 | 6 |
| 30740 | 108 | CB | 39.3968 | 1 |
| 34022 | 31 | CB | 41.045 | |
| 34121 | 205 | CB | 41.402 | 1 |
| 34376 | 80 | CB | 39.605 | |
| 34552 | 140 | CB | 39.588 | |
| 34812 | 81 | CB | 39.55 | 1 |
| 50089 | 225 | CB | 40.716 | 1 |
| 50172 | 172 | CB | 44.442 | 1 |
| 50174 | 172 | CB | 44.442 | 1 |
| 50176 | 172 | CB | 44.442 | 1 |
| 50177 | 172 | CB | 44.442 | 1 |
| 50213 | 82 | CB | 39.977 | 1 |
| 50250 | 39 | CB | 40.859 | |
| 50509 | 34 | CB | 40.248 | 1 |
| 50790 | 47 | CB | 39.597 | 1 |
| 50837 | 124 | CB | 40.06 | 1 |
| 50908 | 9 | CB | 40.169 | 1 |
| 50913 | 6 | CB | 40.315 | 1 |
| 50951 | 119 | CB | 39.556 | 1 |
| 51176 | 151 | CB | 39.98 | |
| 51179 | 42 | CB | 39.5032899112663 | |
| 51288 | 47 | CB | 40.4 | 1 |
| 51333 | 152 | CB | 39.335 | |
| 51382 | 82 | CB | 41.184 | |
| 51683 | 116 | CB | 40.343 | 1 |
| 51726 | 59 | CB | 41.927 | 1 |
| 51815 | 99 | CB | 41.3976 | 1 |
| 52143 | 250 | CB | 39.623 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 1404 | 80 | CB | 25.5 | 1 |
| 1734 | 61 | CB | .2 | 1 |
| 1736 | 80 | CB | 6.6 | 1 |
| 4565 | 138 | CB | 25.98 | 1 |
| 4578 | 61 | CB | 26.10 | 1 |
| 4765 | 59 | CB | 24.86 | 1 |
| 4777 | 78 | CB | 16.1 | 1 |
| 4821 | 80 | CB | 26.488 | 1 |
| 4959 | 61 | CB | 25.952 | 1 |
| 5234 | 191 | CB | 24.9 | 1 |
| 5547 | 129 | CB | 25.7 | 1 |
| 5595 | 76 | CB | 25.95 | 1 |
| 5981 | 14 | CB | 26.488 | 1 |
| 6391 | 138 | CB | 26.35 | 1 |
| 6444 | 132 | CB | 24.670 | |
| 6549 | 51 | CB | 26.2 | |
| 6586 | 107 | CB | 23.387 | 1 |
| 6586 | 133 | CB | 21.404 | 1 |
| 6586 | 22 | CB | 25.370 | 1 |
| 6586 | 3 | CB | 25.158 | 1 |
| 6586 | 64 | CB | 23.387 | 1 |
| 6586 | 74 | CB | 21.617 | 1 |
| 6645 | 1 | CB | 25.91 | 1 |
| 6692 | 72 | CB | 26.471 | 1 |
| 7112 | 56 | CB | 25.708 | 1 |
| 7218 | 78 | CB | 25.227 | |
| 7308 | 113 | CB | 26.4 | 1 |
| 11175 | 125 | CB | 25.499 | 1 |
| 11451 | 59 | CB | 25.875 | 1 |
| 15008 | 2 | CB | 24.587 | 1 |
| 15091 | 85 | CB | 25.198 | 1 |
| 15200 | 38 | CB | 25.200 | 1 |
| 15578 | 132 | CB | 24.407 | 1 |
| 16063 | 1 | CB | 17.1400 | 1 |
| 16103 | 33 | CB | 25.900 | 1 |
| 16265 | 186 | CB | 20.98 | 1 |
| 16345 | 1 | CB | 22.322 | 1 |
| 16708 | 114 | CB | 25.9 | 1 |
| 16737 | 1 | CB | 26.23 | 1 |
| 16884 | 33 | CB | 26.3 | 1 |
| 16884 | 73 | CB | 26.5 | 1 |
| 17144 | 79 | CB | 5.3 | 1 |
| 17162 | 133 | CB | 25.222 | 1 |
| 17236 | 76 | CB | 13.7 | 1 |
| 17781 | 220 | CB | 25.552 | 1 |
| 17845 | 85 | CB | 5.78 | 1 |
| 17847 | 80 | CB | 6.31 | 1 |
| 18081 | 1 | CB | 24.312 | 1 |
| 18110 | 1 | CB | 26.364 | 1 |
| 18217 | 75 | CB | 25.641 | 1 |
| 18218 | 92 | CB | 26.016 | 1 |
| 18373 | 156 | CB | 26.284 | 1 |
| 18488 | 38 | CB | 26.509 | 1 |
| 18574 | 134 | CB | 26.43 | 1 |
| 18609 | 18 | CB | 24.815 | 1 |
| 18609 | 183 | CB | 24.583 | 1 |
| 18609 | 193 | CB | 13.790 | 1 |
| 18958 | 11 | CB | 21.670 | 1 |
| 19063 | 52 | CB | 21.259 | |
| 19063 | 78 | CB | 20.361 | |
| 19411 | 15 | CB | 18.0 | 1 |
| 19431 | 107 | CB | 21.629 | 1 |
| 19567 | 15 | CB | 26.214 | 1 |
| 19637 | 47 | CB | 26.222 | 1 |
| 19817 | 1 | CB | 25.9200 | 1 |
| 21010 | 19 | CB | 26.415 | 1 |
| 25355 | 146 | CB | 25.468 | 1 |
| 25410 | 76 | CB | 25.564 | 1 |
| 25418 | 80 | CB | 4.092 | 1 |
| 25852 | 36 | CB | 26.279 | 1 |
| 26687 | 36 | CB | 26.270 | 1 |
| 26741 | 28 | CB | 26.036 | |
| 26742 | 28 | CB | 26.17 | |
| 26848 | 52 | CB | 26.441 | 1 |
| 26851 | 52 | CB | 26.263 | 1 |
| 26974 | 117 | CB | 25.133 | |
| 27170 | 1 | CB | 25.817 | 1 |
| 27191 | 167 | CB | 25.6896 | 1 |
| 27314 | 262 | CB | 24.7590 | 1 |
| 30196 | 36 | CB | 26.270 | 1 |
| 30513 | 13 | CB | 25.756 | 1 |
| 30513 | 23 | CB | 25.096 | 1 |
| 30513 | 39 | CB | 25.261 | 1 |
| 30661 | 1 | CB | 24.434 | |
| 30726 | 1 | CB | 26.464 | 1 |
| 50153 | 5 | CB | 23.130 | 1 |
| 50153 | 9 | CB | 22.931 | 1 |
| 50412 | 118 | CB | 25.8585 | 1 |
| 50412 | 93 | CB | 26.1327 | 1 |
| 50546 | 161 | CB | 17.670 | |
| 50694 | 229 | CB | 17.370 | |
| 50994 | 1 | CB | 26.033 | |
| 51380 | 125 | CB | 25.538 | |
| 51515 | 49 | CB | 26.14 | |
| 51810 | 73 | CB | 26.064 | |
| 52077 | 71 | CB | 15.670 | 1 |