ILE C Chemical Shift Outliers
Average chemical shift: 175.968
Standard deviation: 1.875
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4259 | 22 | C | 182.7 | 1 |
| 5701 | 63 | C | 181.780 | 1 |
| 5814 | 63 | C | 181.79 | 1 |
| 6015 | 32 | C | 182.382 | 1 |
| 6034 | 170 | C | 181.8 | 1 |
| 6045 | 15 | C | 183.1 | 1 |
| 6278 | 58 | C | 181.795 | 1 |
| 6947 | 43 | C | 181.70 | 1 |
| 6948 | 43 | C | 181.64 | 1 |
| 6964 | 113 | C | 181.8 | 1 |
| 7122 | 13 | C | 181.6 | 1 |
| 7122 | 2 | C | 182.3 | 1 |
| 7122 | 3 | C | 182.1 | 1 |
| 7122 | 5 | C | 181.6 | 1 |
| 7423 | 52 | C | 181.827 | 1 |
| 11306 | 13 | C | 182.121 | 1 |
| 11507 | 159 | C | 182.236 | 1 |
| 12009 | 89 | C | 181.866 | 1 |
| 15152 | 12 | C | 183.387 | 1 |
| 15152 | 24 | C | 182.097 | 1 |
| 15152 | 3 | C | 184.030 | 1 |
| 15152 | 59 | C | 183.567 | 1 |
| 15213 | 47 | C | 183.4 | 1 |
| 15475 | 84 | C | 182.7 | 1 |
| 15683 | 99 | C | 181.8 | 1 |
| 15743 | 32 | C | 182.0 | 1 |
| 15949 | 172 | C | 181.952 | |
| 15949 | 45 | C | 184.752 | |
| 15949 | 63 | C | 182.306 | |
| 16327 | 113 | C | 182.26 | |
| 16478 | 35 | C | 181.651 | 1 |
| 16498 | 81 | C | 181.7 | 1 |
| 16515 | 53 | C | 181.928 | 1 |
| 16946 | 96 | C | 181.775 | 1 |
| 17404 | 141 | C | 183.19 | 1 |
| 17404 | 182 | C | 182.23 | 1 |
| 17710 | 113 | C | 182.291 | 1 |
| 17918 | 48 | C | 181.848 | 1 |
| 18396 | 113 | C | 182.131 | 1 |
| 18543 | 113 | C | 182.271 | 1 |
| 18544 | 113 | C | 182.362 | 1 |
| 18692 | 21 | C | 181.6960 | 1 |
| 18801 | 11 | C | 182.235 | |
| 18801 | 6 | C | 183.130 | |
| 18826 | 77 | C | 181.771 | 1 |
| 19273 | 58 | C | 187.551 | 1 |
| 19834 | 145 | C | 183.316 | |
| 25117 | 113 | C | 181.771 | 1 |
| 25117 | 113 | C | 181.795 | 1 |
| 25380 | 82 | C | 181.9000 | 1 |
| 26314 | 101 | C | 182.274 | 1 |
| 26314 | 132 | C | 186.983 | 1 |
| 26314 | 18 | C | 181.993 | 1 |
| 26314 | 19 | C | 181.692 | 1 |
| 26314 | 24 | C | 182.421 | 1 |
| 26314 | 25 | C | 182.104 | 1 |
| 26314 | 52 | C | 182.499 | 1 |
| 26314 | 62 | C | 181.993 | 1 |
| 26575 | 90 | C | 181.635 | 1 |
| 26787 | 48 | C | 182.52 | 1 |
| 27211 | 190 | C | 182.833 | 1 |
| 27224 | 312 | C | 182.29 | 1 |
| 27352 | 172 | C | 182.707 | 1 |
| 27469 | 312 | C | 182.29 | 1 |
| 27470 | 312 | C | 182.29 | 1 |
| 27859 | 146 | C | 182 | |
| 28035 | 112 | C | 181.769 | 1 |
| 30100 | 10 | C | 182.172 | |
| 30598 | 30 | C | 183.885 | 1 |
| 30721 | 91 | C | 184.707 | |
| 34668 | 82 | C | 182.399 | 1 |
| 36013 | 33 | C | 185.5010 | 1 |
| 36589 | 102 | C | 181.618 | 1 |
| 50141 | 113 | C | 182.332 | 1 |
| 51240 | 41 | C | 183.971 | 1 |
| 51677 | 150 | C | 183.071 | 1 |
| 51705 | 113 | C | 181.632 | |
| 51723 | 48 | C | 183.376 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4019 | 1 | C | 167.5 | 1 |
| 4019 | 55 | C | 170.0 | 1 |
| 4037 | 89 | C | 169.4 | 1 |
| 4127 | 56 | C | 169.0 | 1 |
| 4144 | 37 | C | 169.9 | 1 |
| 4154 | 97 | C | 169.5 | 1 |
| 4670 | 13 | C | 170.0 | |
| 4758 | 1 | C | 167.00 | 1 |
| 4953 | 43 | C | 168.498 | 1 |
| 4998 | 50 | C | 168.12 | 1 |
| 5194 | 7 | C | 170.170 | 1 |
| 5212 | 96 | C | 170.000 | |
| 5407 | 92 | C | 169.994 | |
| 5514 | 123 | C | 169.23 | 1 |
| 5514 | 167 | C | 170.05 | 1 |
| 5514 | 188 | C | 168.92 | 1 |
| 5592 | 31 | C | 170.17 | 1 |
| 5592 | 80 | C | 169.2 | 1 |
| 5754 | 62 | C | 170.24 | 1 |
| 5813 | 8 | C | 169.091 | 1 |
| 5849 | 55 | C | 170.293 | |
| 5879 | 44 | C | 168.956 | 1 |
| 5886 | 62 | C | 170.28 | 1 |
| 6024 | 206 | C | 169.601 | 1 |
| 6073 | 38 | C | 169.05 | |
| 6111 | 27 | C | 169.38 | 1 |
| 6111 | 27 | C | 169.90 | 1 |
| 6111 | 58 | C | 169.58 | 1 |
| 6111 | 58 | C | 170.06 | 1 |
| 6111 | 76 | C | 170.27 | 1 |
| 6111 | 78 | C | 168.87 | 1 |
| 6111 | 78 | C | 169.88 | 1 |
| 6130 | 34 | C | 169.27 | |
| 6130 | 52 | C | 167.70 | |
| 6298 | 107 | C | 170.181 | |
| 6357 | 206 | C | 169.475 | 1 |
| 6606 | 7 | C | 168.5 | 1 |
| 6725 | 34 | C | 170.33 | 1 |
| 6730 | 44 | C | 131.236 | |
| 6730 | 52 | C | 131.518 | |
| 6730 | 76 | C | 130.509 | |
| 6821 | 104 | C | 170.023 | |
| 6821 | 18 | C | 169.726 | |
| 6903 | 74 | C | 169.8300 | 1 |
| 6904 | 74 | C | 169.780 | 1 |
| 7019 | 78 | C | 170.017 | 1 |
| 7083 | 79 | C | 170.10 | 1 |
| 7236 | 206 | C | 169.507 | 1 |
| 7237 | 206 | C | 169.472 | 1 |
| 7238 | 206 | C | 169.465 | 1 |
| 7239 | 206 | C | 169.474 | 1 |
| 10052 | 65 | C | 169.831 | 1 |
| 10052 | 81 | C | 169.96 | 1 |
| 10273 | 82 | C | 170.143 | 1 |
| 11041 | 173 | C | 170.134 | 1 |
| 11139 | 23 | C | 169.970 | 1 |
| 11143 | 55 | C | 169.053 | 1 |
| 11145 | 55 | C | 168.453 | 1 |
| 11214 | 63 | C | 169.507 | 1 |
| 11425 | 19 | C | 169.900 | 1 |
| 15128 | 53 | C | 169.008 | 1 |
| 15128 | 83 | C | 170.227 | 1 |
| 15164 | 216 | C | 167.497 | 1 |
| 15164 | 404 | C | 169.104 | 1 |
| 15558 | 153 | C | 169.100 | 1 |
| 15558 | 79 | C | 168.300 | 1 |
| 15685 | 5 | C | 1.000 | 1 |
| 15719 | 98 | C | 169.782 | 1 |
| 15722 | 82 | C | 170.276 | 1 |
| 15770 | 65 | C | 169.6 | 1 |
| 15809 | 154 | C | 170.311 | 1 |
| 15913 | 114 | C | 169.9300 | 1 |
| 15917 | 212 | C | 169.399 | 1 |
| 16119 | 169 | C | 168.431 | 1 |
| 16204 | 81 | C | 169.766 | 1 |
| 16205 | 81 | C | 169.804 | 1 |
| 16390 | 85 | C | 170.13 | 1 |
| 16598 | 206 | C | 169.523 | 1 |
| 16809 | 13 | C | 169.30 | 1 |
| 16809 | 63 | C | 170.25 | 1 |
| 16884 | 16 | C | 168.8 | 1 |
| 16884 | 78 | C | 170.2 | 1 |
| 16937 | 195 | C | 168.477 | 1 |
| 16937 | 57 | C | 170.159 | 1 |
| 16937 | 66 | C | 168.448 | 1 |
| 16984 | 126 | C | 168.840 | 1 |
| 16984 | 178 | C | 169.231 | 1 |
| 17066 | 97 | C | 170.310 | 1 |
| 17109 | 100 | C | 16.258 | 1 |
| 17109 | 109 | C | 13.191 | 1 |
| 17109 | 110 | C | 14.405 | 1 |
| 17109 | 116 | C | 12.992 | 1 |
| 17109 | 128 | C | 14.579 | 1 |
| 17109 | 136 | C | 13.610 | 1 |
| 17109 | 137 | C | 13.524 | 1 |
| 17109 | 21 | C | 14.409 | 1 |
| 17109 | 30 | C | 14.874 | 1 |
| 17109 | 95 | C | 16.261 | 1 |
| 17109 | 98 | C | 15.821 | 1 |
| 17203 | 64 | C | 169.080 | 1 |
| 17410 | 215 | C | 168.640 | 1 |
| 17477 | 153 | C | 169.144 | 1 |
| 17477 | 79 | C | 168.322 | 1 |
| 17701 | 143 | C | 169.971 | 1 |
| 17741 | 24 | C | 170.331 | 1 |
| 18031 | 131 | C | 170.259 | 1 |
| 18132 | 48 | C | 0.119 | 1 |
| 18132 | 62 | C | 0.087 | 1 |
| 18132 | 65 | C | 0.102 | 1 |
| 18292 | 46 | C | 170.171 | 1 |
| 18388 | 71 | C | 169.064 | 1 |
| 18389 | 71 | C | 169.396 | 1 |
| 18509 | 104 | C | 169.576 | 1 |
| 18509 | 18 | C | 168.889 | 1 |
| 18509 | 35 | C | 169.713 | 1 |
| 18559 | 43 | C | 170.30 | 1 |
| 18563 | 91 | C | 170.211 | 1 |
| 18708 | 104 | C | 169.576 | 1 |
| 18708 | 18 | C | 168.889 | 1 |
| 18708 | 35 | C | 169.713 | 1 |
| 19114 | 128 | C | 168.929 | |
| 19327 | 19 | C | 14.505 | 1 |
| 19327 | 22 | C | 16.529 | 1 |
| 25160 | 48 | C | 166.4030 | 1 |
| 25379 | 133 | C | 168.436 | 1 |
| 25379 | 151 | C | 168.444 | 1 |
| 25379 | 162 | C | 168.268 | 1 |
| 25379 | 75 | C | 169.557 | 1 |
| 25745 | 28 | C | 169.935 | 1 |
| 25832 | 75 | C | 170.213 | 1 |
| 25972 | 3 | C | 169.741 | |
| 25973 | 3 | C | 169.813 | |
| 25993 | 3 | C | 170.288 | 1 |
| 26600 | 47 | C | 169.879 | 1 |
| 26717 | 172 | C | 170.0 | 1 |
| 26717 | 201 | C | 168.9 | 1 |
| 26717 | 79 | C | 169.2 | 1 |
| 26725 | 38 | C | 170.049 | |
| 26725 | 72 | C | 169.564 | |
| 26742 | 171 | C | 0 | |
| 26756 | 102 | C | 170.300 | |
| 26756 | 242 | C | 170.300 | |
| 26996 | 86 | C | 168.70 | |
| 27035 | 74 | C | 167.995 | 1 |
| 27278 | 48 | C | 169.977 | 1 |
| 27280 | 48 | C | 169.977 | 1 |
| 27281 | 48 | C | 169.977 | 1 |
| 27543 | 1 | C | 168.771 | 1 |
| 27555 | 36 | C | 169.772 | 1 |
| 27592 | 105 | C | 169.435 | 1 |
| 27592 | 137 | C | 169.531 | 1 |
| 27592 | 146 | C | 170.181 | 1 |
| 27707 | 109 | C | 38.361 | 1 |
| 27707 | 18 | C | 39.679 | 1 |
| 27707 | 53 | C | 40.592 | 1 |
| 27707 | 55 | C | 41.390 | 1 |
| 27707 | 66 | C | 41.142 | 1 |
| 27707 | 93 | C | 39.982 | 1 |
| 27707 | 95 | C | 39.329 | 1 |
| 27774 | 111 | C | 169.936 | 1 |
| 27859 | 33 | C | 170.2 | |
| 27859 | 59 | C | 169.7 | |
| 28002 | 94 | C | 47.852 | 9 |
| 28033 | 16 | C | 170.0880 | 1 |
| 28109 | 135 | C | 168.382 | 1 |
| 30172 | 40 | C | 168.1400 | 1 |
| 30201 | 84 | C | 170.1040 | 1 |
| 30375 | 223 | C | 169.476 | |
| 30375 | 47 | C | 170.035 | |
| 30469 | 94 | C | 169.81 | |
| 30480 | 23 | C | 169.570 | |
| 30825 | 142 | C | 170.106 | 1 |
| 30943 | 382 | C | 169.616 | 1 |
| 34039 | 40 | C | 168.1840 | 1 |
| 34194 | 34 | C | 169.951 | 1 |
| 34396 | 32 | C | 170.2 | 1 |
| 34532 | 2 | C | 169.516 | 1 |
| 34785 | 30 | C | 169.146 | 1 |
| 50089 | 12 | C | 170.31 | 1 |
| 50467 | 15 | C | 169.96217 | 1 |
| 50468 | 15 | C | 170.15758 | 1 |
| 50676 | 136 | C | 169.531 | |
| 50679 | 136 | C | 169.745 | |
| 51105 | 382 | C | 169.8308 | 1 |
| 51179 | 104 | C | 169.726070034066 | |
| 51336 | 66 | C | 170.142 | 1 |
| 51347 | 179 | C | 87.7875 | |
| 51347 | 232 | C | 86.641 | |
| 51380 | 14 | C | 169.904 | |
| 51380 | 50 | C | 170.130 | |
| 51380 | 85 | C | 169.510 | |
| 51419 | 36 | C | 170.253 | 1 |
| 51785 | 195 | C | 170.143 | 1 |
| 52087 | 39 | C | 169.717 | 1 |