MET CG Chemical Shift Outliers
Average chemical shift: 32.029
Standard deviation: 1.323
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4084 | 1 | CG | 36.5 | 1 |
| 4100 | 27 | CG | 36.80 | 1 |
| 4100 | 50 | CG | 37.31 | 1 |
| 4150 | 1 | CG | 71.448 | |
| 4150 | 86 | CG | 68.897 | |
| 4193 | 21 | CG | 36.3 | 1 |
| 4470 | 10 | CG | 36.4 | |
| 4929 | 103 | CG | 37.57 | 1 |
| 5179 | 16 | CG | 81.180 | |
| 5275 | 37 | CG | 36.583 | 1 |
| 5373 | 107 | CG | 36.80 | 1 |
| 5505 | 97 | CG | 37.2 | 1 |
| 5819 | 128 | CG | 36.4 | 1 |
| 5846 | 1 | CG | 36.0 | 1 |
| 5942 | 133 | CG | 37.959 | 1 |
| 5942 | 141 | CG | 37.044 | 1 |
| 6149 | 17 | CG | 51.7 | 1 |
| 6244 | 1 | CG | 36.5 | 1 |
| 6244 | 84 | CG | 36.7 | 1 |
| 6255 | 83 | CG | 36.437 | 1 |
| 6272 | 50 | CG | 36.31 | 1 |
| 6356 | 1 | CG | 36.149 | |
| 6363 | 1 | CG | 36.0 | 1 |
| 6364 | 89 | CG | 36.0 | 1 |
| 6546 | 117 | CG | 36.0 | 1 |
| 6603 | 135 | CG | 36.748 | 1 |
| 6736 | 93 | CG | 36.0 | 1 |
| 6810 | 1 | CG | 36.0 | 1 |
| 6847 | 135 | CG | 36.748 | 1 |
| 7075 | 1 | CG | 36.440 | 1 |
| 7178 | 57 | CG | 43.2 | 1 |
| 7224 | 1 | CG | 36.0 | 1 |
| 7224 | 8 | CG | 36.0 | 1 |
| 10029 | 72 | CG | 36.632 | 1 |
| 10242 | 108 | CG | 38.102 | 1 |
| 11012 | 77 | CG | 37.806 | 1 |
| 11053 | 227 | CG | 36.297 | 1 |
| 15038 | 98 | CG | 36.743 | 1 |
| 15083 | 52 | CG | 55.272 | 1 |
| 15269 | 64 | CG | 36.700 | 1 |
| 15270 | 1 | CG | 36.326 | 1 |
| 15369 | 147 | CG | 36.233 | 1 |
| 15369 | 164 | CG | 36.105 | 1 |
| 15517 | 86 | CG | 45.500 | 1 |
| 15546 | 74 | CG | 36.04 | 1 |
| 15593 | 48 | CG | 36.589 | 1 |
| 15627 | 38 | CG | 38.581 | 1 |
| 15642 | 112 | CG | 36.27 | 1 |
| 15690 | 1 | CG | 36.2 | 1 |
| 15721 | 31 | CG | 36.775 | 1 |
| 15793 | 82 | CG | 36.619 | 1 |
| 15877 | 1 | CG | 61.859 | 1 |
| 15954 | 20 | CG | 37.005 | 1 |
| 16061 | 28 | CG | 36.447 | 1 |
| 16164 | 25 | CG | 37.750 | 1 |
| 16408 | 28 | CG | 36.12 | 1 |
| 16797 | 19 | CG | 43.060 | 1 |
| 16945 | 105 | CG | 41.840 | 1 |
| 17028 | 3 | CG | 37.853 | 1 |
| 17144 | 79 | CG | 67.1 | 1 |
| 17233 | 36 | CG | 37.327 | 1 |
| 17799 | 115 | CG | 36.481 | 1 |
| 17821 | 60 | CG | 36.3 | 1 |
| 18228 | 137 | CG | 36.211 | 1 |
| 18250 | 1 | CG | 36.360 | 1 |
| 18312 | 103 | CG | 36.3 | 1 |
| 18356 | 120 | CG | 40.8 | 1 |
| 18464 | 106 | CG | 37.166 | 1 |
| 18521 | 98 | CG | 36.061 | 1 |
| 18642 | 62 | CG | 36.1800 | 1 |
| 18678 | 77 | CG | 37.578 | 1 |
| 18987 | 123 | CG | 36.080 | 1 |
| 18990 | 135 | CG | 36.1800 | 1 |
| 19156 | 45 | CG | 36.959 | 1 |
| 19302 | 1 | CG | 36.022 | |
| 19398 | 24 | CG | 36.688 | 1 |
| 19642 | 18 | CG | 36.997 | |
| 19687 | 66 | CG | 36.048 | 1 |
| 19717 | 72 | CG | 36.2 | 1 |
| 19718 | 72 | CG | 36.2 | 1 |
| 19994 | 8 | CG | 61.491 | |
| 21010 | 19 | CG | 50.955 | 1 |
| 21010 | 2 | CG | 50.955 | 1 |
| 25069 | 84 | CG | 36.911 | |
| 25382 | 21 | CG | 59.446 | |
| 25382 | 60 | CG | 60.279 | |
| 25382 | 66 | CG | 60.534 | |
| 25442 | 13 | CG | 332.686 | |
| 25658 | 34 | CG | 38.256 | 1 |
| 26571 | 135 | CG | 38.65 | 1 |
| 26760 | 135 | CG | 38.401 | 1 |
| 26760 | 3 | CG | 37.522 | 1 |
| 27059 | 101 | CG | 37.400 | |
| 27869 | 48 | CG | 37.197 | 1 |
| 27869 | 67 | CG | 36.368 | 1 |
| 27989 | 152 | CG | 36.061 | 1 |
| 28099 | 31 | CG | 38.470 | 1 |
| 30024 | 3 | CG | 36.206 | |
| 30239 | 31 | CG | 36.053 | 1 |
| 30288 | 108 | CG | 36.1580 | 1 |
| 30374 | 5 | CG | 38.6590 | 1 |
| 30605 | 9 | CG | 36.080 | 1 |
| 30738 | 109 | CG | 37.1832 | 1 |
| 30870 | 1 | CG | 36.2910 | 1 |
| 34121 | 187 | CG | 37.026 | 1 |
| 34925 | 30 | CG | 36.020 | 1 |
| 36002 | 135 | CG | 38.65 | 1 |
| 50135 | 116 | CG | 36.100 | |
| 50153 | 5 | CG | 48.728 | 1 |
| 50153 | 9 | CG | 47.838 | 1 |
| 52608 | 174 | CG | 36.322 | 1 |
| 52608 | 96 | CG | 38.147 | 1 |
| 52609 | 174 | CG | 36.322 | 1 |
| 52609 | 96 | CG | 38.147 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 497 | 98 | CG | 27.3 | 1 |
| 1404 | 80 | CG | 26.4 | 1 |
| 4053 | 98 | CG | 27.27 | |
| 4078 | 18 | CG | 27.8 | 1 |
| 4127 | 48 | CG | 27.6 | 1 |
| 4281 | 52 | CG | 24.810 | 1 |
| 4431 | 13 | CG | 24.8 | 1 |
| 4431 | 130 | CG | 25.1 | 1 |
| 4471 | 78 | CG | 27.2 | 1 |
| 4578 | 61 | CG | 22.54 | 1 |
| 4678 | 1 | CG | 20.83 | |
| 4717 | 101 | CG | 2.30 | |
| 4894 | 24 | CG | 16.0 | |
| 4982 | 1 | CG | 27.3 | 1 |
| 5827 | 80 | CG | 27.44 | 1 |
| 5873 | 15 | CG | 26.8 | 1 |
| 5978 | 28 | CG | 27.52 | 1 |
| 6120 | 1 | CG | 26.8 | 1 |
| 6141 | 61 | CG | 27.686 | |
| 6150 | 114 | CG | 26.951 | 1 |
| 6150 | 49 | CG | 26.613 | 1 |
| 6348 | 1 | CG | 27.8 | |
| 6519 | 57 | CG | 25.290 | 1 |
| 6912 | 1 | CG | 27.9 | 1 |
| 7020 | 37 | CG | 27.154 | 1 |
| 7119 | 117 | CG | 20.461 | 1 |
| 7189 | 17 | CG | 25.57 | 1 |
| 7349 | 1 | CG | 27.995 | |
| 7351 | 128 | CG | 27.985 | 1 |
| 7414 | 133 | CG | 27.446 | 1 |
| 7414 | 134 | CG | 23.732 | 1 |
| 11001 | 30 | CG | 27.9 | 1 |
| 11019 | 60 | CG | 27.928 | 1 |
| 11034 | 1 | CG | 15.937 | 1 |
| 11086 | 92 | CG | 27.931 | 1 |
| 11128 | 86 | CG | 27.777 | 1 |
| 11143 | 86 | CG | 28.010 | 1 |
| 11451 | 49 | CG | 27.430 | 1 |
| 15315 | 149 | CG | 28.010 | 1 |
| 15578 | 305 | CG | 27.892 | 1 |
| 15578 | 306 | CG | 24.072 | 1 |
| 15796 | 46 | CG | 26.065 | 1 |
| 15912 | 34 | CG | 26.95 | 1 |
| 15922 | 61 | CG | 27.743 | 1 |
| 15964 | 76 | CG | 26.84 | 1 |
| 16137 | 52 | CG | 27.70 | |
| 16496 | 3 | CG | 27.183 | 1 |
| 16693 | 10 | CG | 26.770 | 1 |
| 16713 | 65 | CG | 26.947 | 1 |
| 16809 | 32 | CG | 26.95 | 1 |
| 16814 | 19 | CG | 26.804 | 1 |
| 16884 | 31 | CG | 26.6 | 1 |
| 16884 | 33 | CG | 26.5 | 1 |
| 16884 | 73 | CG | 26.5 | 1 |
| 16884 | 80 | CG | 26.7 | 1 |
| 17146 | 79 | CG | 27.7 | 1 |
| 17261 | 40 | CG | 27.2 | 1 |
| 17694 | 87 | CG | 20.440 | |
| 18018 | 89 | CG | 26.155 | 1 |
| 18110 | 1 | CG | 22.681 | 1 |
| 18388 | 151 | CG | 27.716 | 1 |
| 18388 | 9 | CG | 26.813 | 1 |
| 18471 | 1 | CG | 27.559 | 1 |
| 18990 | 19 | CG | 19.0560 | 1 |
| 25342 | 47 | CG | 27.627 | 1 |
| 25371 | 100 | CG | 17.860 | |
| 25371 | 40 | CG | 18.115 | |
| 25371 | 92 | CG | 19.314 | |
| 25379 | 23 | CG | 26.131 | 1 |
| 25379 | 4 | CG | 26.728 | 1 |
| 25455 | 60 | CG | 27.017 | 1 |
| 25763 | 5 | CG | 20.5 | 1 |
| 25917 | 6 | CG | 24.596 | |
| 25972 | 1 | CG | 28.021 | |
| 26687 | 76 | CG | 26.204 | 1 |
| 26691 | 4 | CG | 25.415 | 1 |
| 27045 | 1 | CG | 25.3 | 1 |
| 28099 | 35 | CG | 27.39 | 1 |
| 30133 | 1 | CG | 26.795 | 9 |
| 30196 | 76 | CG | 26.204 | 1 |
| 30469 | 4 | CG | 26.826 | |
| 30521 | 6 | CG | 27.416 | |
| 34080 | 92 | CG | 24.770 | 1 |
| 34178 | 59 | CG | 27.770 | 1 |
| 34531 | 1 | CG | 28.027 | 1 |
| 34534 | 28 | CG | 27.3544 | |
| 50269 | 83 | CG | 26.49 | 1 |
| 50299 | 16 | CG | 26.173 | |
| 50391 | 28 | CG | 27.354 | |
| 50412 | 93 | CG | 27.2571 | 1 |
| 50544 | 1 | CG | 27.921 | |
| 50544 | 65 | CG | 27.861 | |
| 52087 | 23 | CG | 27.126 | 1 |
| 52977 | 7 | CG | 27.387 | 1 |
| 53009 | 19 | CG | 27.98271642 | |
| 53392 | 118 | CG | 27.578 | |
| 53392 | 21 | CG | 26.981 | |
| 53392 | 30 | CG | 27.326 | |
| 53392 | 35 | CG | 27.302 | |