LEU C Chemical Shift Outliers
Average chemical shift: 177.112
Standard deviation: 1.907
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4065 | 20 | C | 189.78 | 1 |
| 4259 | 19 | C | 182.9 | 1 |
| 4259 | 21 | C | 183.0 | 1 |
| 4318 | 32 | C | 182.98 | 1 |
| 4802 | 64 | C | 183.104 | 1 |
| 5968 | 61 | C | 185.500 | 1 |
| 6045 | 14 | C | 183.2 | 1 |
| 6133 | 116 | C | 182.930 | 1 |
| 6705 | 16 | C | 183.08 | |
| 7216 | 117 | C | 183.1 | 1 |
| 15213 | 56 | C | 184.2 | 1 |
| 15280 | 144 | C | 182.943 | 1 |
| 15949 | 66 | C | 183.521 | |
| 16565 | 117 | C | 183.1 | 1 |
| 16566 | 117 | C | 183.2 | 1 |
| 16689 | 187 | C | 183.360 | 1 |
| 17404 | 137 | C | 182.87 | 1 |
| 17404 | 181 | C | 183.15 | 1 |
| 17404 | 201 | C | 183.00 | 1 |
| 17404 | 208 | C | 183.48 | 1 |
| 17404 | 50 | C | 182.92 | 1 |
| 19800 | 21 | C | 183.063 | |
| 19818 | 92 | C | 184.43 | 1 |
| 19818 | 92 | C | 184.50 | 1 |
| 19819 | 92 | C | 184.66 | 1 |
| 19819 | 92 | C | 184.82 | 1 |
| 26044 | 162 | C | 183.647 | 1 |
| 26314 | 107 | C | 183.924 | 1 |
| 26314 | 110 | C | 183.717 | 1 |
| 26314 | 3 | C | 184.039 | 1 |
| 26314 | 56 | C | 183.129 | 1 |
| 26314 | 70 | C | 183.445 | 1 |
| 26314 | 99 | C | 183.131 | 1 |
| 26642 | 45 | C | 183.563 | 1 |
| 27781 | 76 | C | 184.180 | 1 |
| 50158 | 129 | C | 182.960 | |
| 50236 | 19 | C | 183.0745 | |
| 51050 | 298 | C | 182.884 | |
| 51382 | 172 | C | 182.859 | |
| 51721 | 56 | C | 183.315 | 1 |
| 51725 | 56 | C | 183.318 | 1 |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4048 | 30 | C | 169.3 | 1 |
| 4052 | 108 | C | 171.17 | |
| 4053 | 108 | C | 171.27 | |
| 4127 | 124 | C | 169.7 | 1 |
| 4127 | 28 | C | 171.0 | 1 |
| 4127 | 70 | C | 168.9 | 9 |
| 4127 | 93 | C | 168.9 | 1 |
| 4321 | 22 | C | 171.32 | 1 |
| 4722 | 158 | C | 170.5 | 1 |
| 4722 | 159 | C | 170.6 | 1 |
| 4722 | 19 | C | 170.6 | 1 |
| 4722 | 63 | C | 170.7 | 1 |
| 4729 | 10 | C | 170.61 | 1 |
| 4944 | 77 | C | 171.16 | 1 |
| 4953 | 59 | C | 170.874 | 1 |
| 4953 | 74 | C | 170.132 | 1 |
| 4953 | 85 | C | 171.020 | 1 |
| 5219 | 186 | C | 169.4 | 1 |
| 5222 | 111 | C | 171.2 | 1 |
| 5305 | 80 | C | 171.140 | 1 |
| 5335 | 37 | C | 168.3 | 1 |
| 5356 | 67 | C | 170.285 | 1 |
| 5407 | 122 | C | 170.908 | |
| 5511 | 117 | C | 170.52 | 1 |
| 5511 | 143 | C | 170.19 | 1 |
| 5511 | 155 | C | 169.98 | 1 |
| 5511 | 19 | C | 169.10 | 1 |
| 5511 | 20 | C | 169.65 | 1 |
| 5511 | 70 | C | 168.33 | 1 |
| 5511 | 79 | C | 170.08 | 1 |
| 5514 | 125 | C | 171.24 | 1 |
| 5514 | 137 | C | 169.42 | 1 |
| 5514 | 141 | C | 170.07 | 1 |
| 5514 | 15 | C | 169.71 | 1 |
| 5514 | 178 | C | 171.33 | 1 |
| 5514 | 194 | C | 167.49 | 1 |
| 5514 | 195 | C | 171.05 | 1 |
| 5514 | 201 | C | 169.88 | 1 |
| 5514 | 236 | C | 169.97 | 1 |
| 5514 | 53 | C | 168.43 | 1 |
| 5514 | 7 | C | 168.13 | 1 |
| 5704 | 61 | C | 170.992 | 1 |
| 5754 | 91 | C | 170.175 | 1 |
| 5759 | 264 | C | 170.000 | 1 |
| 5849 | 22 | C | 171.249 | |
| 5867 | 25 | C | 170.819 | 1 |
| 5879 | 17 | C | 170.259 | 1 |
| 5886 | 23 | C | 170.81 | 1 |
| 5886 | 230 | C | 168.47 | 1 |
| 5886 | 281 | C | 170.49 | 1 |
| 5886 | 331 | C | 171.30 | 1 |
| 5886 | 48 | C | 169.99 | 1 |
| 5886 | 99 | C | 171.20 | 1 |
| 5929 | 24 | C | 170.6 | 1 |
| 5929 | 25 | C | 169.9 | 1 |
| 5929 | 80 | C | 169.6 | 1 |
| 5942 | 86 | C | 170.73 | 1 |
| 5943 | 101 | C | 170.19 | 1 |
| 5943 | 71 | C | 169.93 | 1 |
| 5952 | 27 | C | 171.126 | 1 |
| 5968 | 21 | C | 170.900 | 1 |
| 5968 | 67 | C | 170.200 | 1 |
| 6058 | 39 | C | 170.90 | 1 |
| 6058 | 44 | C | 170.00 | 1 |
| 6058 | 62 | C | 170.40 | 1 |
| 6073 | 155 | C | 170.80 | |
| 6073 | 91 | C | 171.18 | |
| 6134 | 39 | C | 169.2 | 1 |
| 6134 | 47 | C | 168.2 | 1 |
| 6134 | 53 | C | 171.0 | 1 |
| 6195 | 18 | C | 171.0 | |
| 6195 | 90 | C | 171.2 | |
| 6196 | 104 | C | 171.2 | |
| 6196 | 32 | C | 171.0 | |
| 6331 | 58 | C | 171.389 | 1 |
| 6343 | 168 | C | 170.7 | 1 |
| 6410 | 117 | C | 170.565 | 1 |
| 6434 | 62 | C | 170.801 | 1 |
| 6586 | 23 | C | 168.455 | 1 |
| 6586 | 33 | C | 170.934 | 1 |
| 6586 | 48 | C | 171.256 | 1 |
| 6586 | 78 | C | 170.049 | 1 |
| 6586 | 84 | C | 169.727 | 1 |
| 6696 | 18 | C | 170.7 | 1 |
| 6713 | 10 | C | 171 | 1 |
| 6713 | 31 | C | 170.9 | 1 |
| 6713 | 36 | C | 169.8 | 1 |
| 6713 | 37 | C | 169.9 | 1 |
| 6713 | 40 | C | 168.6 | 1 |
| 6713 | 41 | C | 170.9 | 1 |
| 6713 | 43 | C | 170 | 1 |
| 6713 | 75 | C | 171.1 | 1 |
| 6725 | 99 | C | 171.11 | 1 |
| 6730 | 17 | C | 132.276 | |
| 6730 | 40 | C | 132.596 | |
| 6730 | 77 | C | 131.717 | |
| 6732 | 55 | C | 170.284 | |
| 6812 | 35 | C | 170.36 | 1 |
| 6877 | 27 | C | 171.130 | 1 |
| 6912 | 20 | C | 169.5 | 1 |
| 6912 | 55 | C | 169.4 | 1 |
| 6912 | 75 | C | 167.6 | 1 |
| 6912 | 77 | C | 170.6 | 1 |
| 6913 | 56 | C | 171.253 | 1 |
| 6913 | 76 | C | 169.174 | 1 |
| 6986 | 116 | C | 171.3 | 1 |
| 7003 | 108 | C | 170.750 | 1 |
| 7066 | 30 | C | 169.451 | |
| 7081 | 47 | C | 22.958 | |
| 7119 | 140 | C | 171.137 | 1 |
| 7119 | 66 | C | 170.825 | 1 |
| 7172 | 66 | C | 171.371 | 1 |
| 7182 | 57 | C | 171.016 | |
| 7182 | 84 | C | 170.184 | |
| 7184 | 23 | C | 171.340 | 1 |
| 7201 | 62 | C | 167.7 | 1 |
| 7204 | 98 | C | 171.284 | 1 |
| 7216 | 68 | C | 171.2 | 1 |
| 7220 | 137 | C | 171.240 | 1 |
| 7220 | 34 | C | 170.590 | 1 |
| 7300 | 12 | C | 171.33 | 1 |
| 7300 | 34 | C | 170.99 | 1 |
| 7300 | 76 | C | 170.31 | 1 |
| 7313 | 125 | C | 170.9 | 1 |
| 7313 | 26 | C | 171.1 | 1 |
| 7351 | 135 | C | 171.150 | 1 |
| 7414 | 78 | C | 170.903 | 1 |
| 10022 | 20 | C | 170.4 | 1 |
| 10052 | 4 | C | 170.654 | 1 |
| 10052 | 41 | C | 171.202 | 1 |
| 10273 | 31 | C | 171.113 | 1 |
| 11018 | 22 | C | 170.88 | 1 |
| 11126 | 53 | C | 170.328 | 1 |
| 11127 | 76 | C | 171.246 | 1 |
| 11141 | 24 | C | 171.228 | 1 |
| 11233 | 25 | C | 171.244 | 1 |
| 11242 | 43 | C | 171.025 | 1 |
| 11249 | 43 | C | 171.233 | 1 |
| 11249 | 60 | C | 171.141 | 1 |
| 11348 | 170 | C | 169.397 | 1 |
| 11404 | 56 | C | 171.201 | 1 |
| 15009 | 119 | C | 171.323 | 1 |
| 15011 | 119 | C | 171.33 | 1 |
| 15046 | 57 | C | 170.400 | 1 |
| 15046 | 67 | C | 171.100 | 1 |
| 15128 | 73 | C | 170.981 | 1 |
| 15128 | 94 | C | 171.296 | 1 |
| 15164 | 562 | C | 170.950 | 1 |
| 15164 | 627 | C | 171.178 | 1 |
| 15200 | 71 | C | 170.300 | 1 |
| 15315 | 130 | C | 170.952 | 1 |
| 15315 | 157 | C | 170.948 | 1 |
| 15315 | 74 | C | 171.252 | 1 |
| 15426 | 197 | C | 170.759 | |
| 15525 | 93 | C | 171.230 | 1 |
| 15525 | 94 | C | 171.377 | 1 |
| 15540 | 26 | C | 171.3 | 1 |
| 15540 | 78 | C | 171.3 | 1 |
| 15558 | 159 | C | 170.900 | 1 |
| 15575 | 22 | C | 171.131 | |
| 15578 | 250 | C | 170.869 | 1 |
| 15593 | 160 | C | 169.633 | 1 |
| 15606 | 77 | C | 170.187 | 1 |
| 15643 | 177 | C | 169.89 | 1 |
| 15663 | 138 | C | 170.60 | 1 |
| 15701 | 9 | C | 171.29 | 1 |
| 15702 | 112 | C | 169.0 | 1 |
| 15702 | 56 | C | 168.1 | 1 |
| 15722 | 105 | C | 171.269 | 1 |
| 15722 | 60 | C | 171.369 | 1 |
| 15770 | 69 | C | 168.5 | 1 |
| 15770 | 95 | C | 171.3 | 1 |
| 15788 | 225 | C | 171.28 | 1 |
| 15788 | 76 | C | 170.22 | 1 |
| 15803 | 93 | C | 171.230 | 1 |
| 15803 | 94 | C | 171.377 | 1 |
| 15820 | 44 | C | 171.133 | |
| 15835 | 48 | C | 171.255 | 1 |
| 15853 | 1 | C | 1.771 | 1 |
| 15853 | 2 | C | 1.776 | 1 |
| 15912 | 22 | C | 170.88 | 1 |
| 15912 | 22 | C | 170.93 | 1 |
| 15956 | 9 | C | 171.05 | 1 |
| 15962 | 77 | C | 171.10 | 1 |
| 16060 | 1 | C | 171.2 | 1 |
| 16119 | 180 | C | 170.511 | 1 |
| 16119 | 208 | C | 171.300 | 1 |
| 16157 | 67 | C | 167.522 | 1 |
| 16164 | 77 | C | 170.921 | 1 |
| 16164 | 87 | C | 171.350 | 1 |
| 16205 | 55 | C | 171.044 | 1 |
| 16337 | 136 | C | 171.3 | 1 |
| 16337 | 147 | C | 171.1 | 1 |
| 16337 | 184 | C | 170.1 | 5 |
| 16337 | 209 | C | 171.1 | 1 |
| 16337 | 97 | C | 171.1 | 5 |
| 16565 | 68 | C | 171.1 | 1 |
| 16566 | 68 | C | 171.0 | 1 |
| 16684 | 13 | C | 169.817758995000 | 1 |
| 16708 | 85 | C | 170.6 | 1 |
| 16766 | 13 | C | 170.237 | 1 |
| 16766 | 40 | C | 170.545 | 1 |
| 16809 | 102 | C | 169.73 | 1 |
| 16809 | 22 | C | 170.88 | 1 |
| 16809 | 22 | C | 170.93 | 1 |
| 16810 | 109 | C | 170.380 | 1 |
| 16884 | 14 | C | 169.8 | 1 |
| 16884 | 19 | C | 170.0 | 1 |
| 16937 | 172 | C | 168.477 | 1 |
| 16937 | 189 | C | 169.539 | 1 |
| 16937 | 235 | C | 168.508 | 1 |
| 16937 | 248 | C | 169.334 | 1 |
| 16937 | 43 | C | 168.571 | 1 |
| 16984 | 129 | C | 169.253 | 1 |
| 16984 | 167 | C | 171.014 | 1 |
| 16984 | 181 | C | 168.376 | 1 |
| 16984 | 188 | C | 169.688 | 1 |
| 16984 | 257 | C | 170.116 | 1 |
| 16984 | 259 | C | 170.139 | 1 |
| 16984 | 280 | C | 171.091 | 1 |
| 16984 | 30 | C | 170.571 | 1 |
| 16984 | 51 | C | 169.311 | 1 |
| 16984 | 55 | C | 168.374 | 1 |
| 16984 | 68 | C | 169.307 | 1 |
| 16984 | 90 | C | 170.569 | 1 |
| 16984 | 99 | C | 171.305 | 1 |
| 17076 | 89 | C | 171.305 | 1 |
| 17109 | 117 | C | 14.488 | 1 |
| 17109 | 119 | C | 14.404 | 1 |
| 17109 | 141 | C | 17.236 | 1 |
| 17109 | 19 | C | 13.617 | 1 |
| 17109 | 24 | C | 15.562 | 1 |
| 17109 | 62 | C | 15.554 | 1 |
| 17109 | 76 | C | 15.639 | 1 |
| 17109 | 82 | C | 14.850 | 1 |
| 17109 | 84 | C | 15.644 | 1 |
| 17236 | 74 | C | 170.9 | 1 |
| 17250 | 228 | C | 170.19 | 1 |
| 17443 | 89 | C | 170.080 | 1 |
| 17447 | 151 | C | 170.636 | 1 |
| 17447 | 158 | C | 171.373 | 1 |
| 17456 | 22 | C | 170.947 | 1 |
| 17704 | 52 | C | 170.565 | 1 |
| 17704 | 54 | C | 170.696 | 1 |
| 17774 | 20 | C | 171.2 | 1 |
| 17781 | 21 | C | 171.034 | 1 |
| 17829 | 82 | C | 171.237 | 1 |
| 17832 | 27 | C | 171.363 | 1 |
| 17833 | 53 | C | 171.350 | 1 |
| 18031 | 70 | C | 170.668 | 1 |
| 18031 | 82 | C | 171.029 | 1 |
| 18109 | 88 | C | 171.207 | 1 |
| 18132 | 54 | C | 0.078 | 1 |
| 18132 | 58 | C | 0.071 | 1 |
| 18175 | 20 | C | 171.2 | 1 |
| 18197 | 126 | C | 170.497 | 1 |
| 18257 | 67 | C | 170.745 | 1 |
| 18428 | 237 | C | 170.290 | 1 |
| 18439 | 53 | C | 7.4800 | 1 |
| 18509 | 117 | C | 171.126 | 1 |
| 18598 | 54 | C | 171.25 | 1 |
| 18652 | 111 | C | 170.43 | 1 |
| 18708 | 117 | C | 171.126 | 1 |
| 18730 | 141 | C | 170.63 | 1 |
| 18934 | 142 | C | 169.860 | 1 |
| 18934 | 2 | C | 171.175 | 1 |
| 18934 | 47 | C | 171.364 | 1 |
| 18934 | 52 | C | 170.298 | 1 |
| 18934 | 99 | C | 169.895 | 1 |
| 19239 | 167 | C | 169.582 | 1 |
| 19239 | 182 | C | 171.194 | 1 |
| 19239 | 43 | C | 169.847 | 1 |
| 19239 | 45 | C | 170.011 | 1 |
| 19239 | 99 | C | 170.343 | 1 |
| 19419 | 23 | C | 171.2530 | 1 |
| 19425 | 144 | C | 170.973 | 1 |
| 19425 | 189 | C | 170.268 | 1 |
| 19560 | 62 | C | 170.76 | 1 |
| 19740 | 402 | C | 170.507 | |
| 19825 | 272 | C | 170.480 | 1 |
| 25105 | 36 | C | 171.261 | |
| 25305 | 78 | C | 171.1 | 1 |
| 25342 | 7 | C | 170.404 | 1 |
| 25342 | 79 | C | 170.730 | 1 |
| 25379 | 160 | C | 168.73 | 1 |
| 25379 | 32 | C | 168.786 | 1 |
| 25379 | 33 | C | 169.478 | 1 |
| 25379 | 51 | C | 170.468 | 1 |
| 25379 | 63 | C | 169.171 | 1 |
| 25379 | 66 | C | 169.174 | 1 |
| 25453 | 66 | C | 171.231 | 1 |
| 25567 | 79 | C | 170.721 | |
| 25632 | 27 | C | 170.643 | |
| 25679 | 36 | C | 3.750 | |
| 25681 | 26 | C | 1.549 | |
| 25704 | 7 | C | 170.700 | 1 |
| 25734 | 60 | C | 169.440 | 1 |
| 25830 | 72 | C | 170.406 | 1 |
| 25995 | 128 | C | 169.993 | 1 |
| 25995 | 137 | C | 170.637 | 1 |
| 25995 | 147 | C | 171.298 | 1 |
| 25995 | 150 | C | 166.222 | 1 |
| 26717 | 200 | C | 171.1 | 1 |
| 26741 | 169 | C | 170.954 | |
| 26742 | 169 | C | 171 | |
| 26756 | 100 | C | 168.940 | |
| 26756 | 8 | C | 170.226 | |
| 26758 | 367 | C | 170.584 | 1 |
| 26779 | 78 | C | 170.923 | 1 |
| 26787 | 179 | C | 170.899 | 1 |
| 26848 | 152 | C | 170.649 | 1 |
| 26848 | 160 | C | 171.291 | 1 |
| 26848 | 179 | C | 170.463 | 1 |
| 26848 | 74 | C | 170.748 | 1 |
| 26848 | 75 | C | 170.639 | 1 |
| 26848 | 77 | C | 169.776 | 1 |
| 26851 | 152 | C | 170.897 | 1 |
| 26851 | 160 | C | 171.235 | 1 |
| 26851 | 179 | C | 170.452 | 1 |
| 26851 | 74 | C | 170.644 | 1 |
| 26851 | 75 | C | 170.559 | 1 |
| 26851 | 77 | C | 169.682 | 1 |
| 26857 | 43 | C | 57.413 | 1 |
| 26879 | 96 | C | 171.125 | 1 |
| 26884 | 72 | C | 171.276 | 1 |
| 26985 | 142 | C | 170.9 | |
| 27019 | 20 | C | 171.155 | |
| 27019 | 70 | C | 170.476 | |
| 27019 | 77 | C | 171.110 | |
| 27035 | 102 | C | 170.063 | 1 |
| 27113 | 66 | C | 169.205 | |
| 27197 | 24 | C | 171.317 | 1 |
| 27224 | 364 | C | 167.54 | 1 |
| 27246 | 71 | C | 171.365 | |
| 27247 | 71 | C | 171.347 | |
| 27469 | 364 | C | 167.53 | 1 |
| 27470 | 364 | C | 167.54 | 1 |
| 27591 | 162 | C | 168.158 | 1 |
| 27592 | 162 | C | 168.289 | 1 |
| 27637 | 75 | C | 171.283 | 1 |
| 27707 | 4 | C | 43.819 | 1 |
| 27707 | 45 | C | 45.514 | 1 |
| 27707 | 6 | C | 43.545 | 1 |
| 27707 | 62 | C | 41.186 | 1 |
| 27707 | 72 | C | 40.832 | 1 |
| 27707 | 85 | C | 46.833 | 1 |
| 27707 | 87 | C | 39.809 | 1 |
| 27774 | 186 | C | 170.783 | 1 |
| 27834 | 8 | C | 170.693 | 1 |
| 27859 | 144 | C | 170.2 | |
| 27859 | 184 | C | 170.5 | |
| 27859 | 203 | C | 170.8 | |
| 28132 | 79 | C | 170.852 | |
| 30172 | 2 | C | 171.3000 | 1 |
| 30247 | 14 | C | 171.060 | |
| 30469 | 80 | C | 170.826 | |
| 30504 | 84 | C | 169.159 | 1 |
| 30604 | 197 | C | 170.757 | |
| 30632 | 35 | C | 170.848 | |
| 30632 | 87 | C | 170.892 | |
| 30825 | 113 | C | 170.966 | 1 |
| 30825 | 56 | C | 171.044 | 1 |
| 31033 | 34 | C | 170.032 | 1 |
| 31059 | 19 | C | 171.316 | 1 |
| 31085 | 30 | C | 171.00 | 1 |
| 34088 | 198 | C | 171.113 | 1 |
| 34194 | 25 | C | 171.269 | 1 |
| 34308 | 84 | C | 170.950 | 1 |
| 34347 | 118 | C | 170.442 | |
| 34373 | 6 | C | 170.108 | 1 |
| 34396 | 17 | C | 171.1 | 1 |
| 34396 | 34 | C | 167.5 | 1 |
| 34396 | 34 | C | 171.3 | 1 |
| 34785 | 10 | C | 168.963 | 1 |
| 34785 | 12 | C | 167.419 | 1 |
| 34785 | 31 | C | 168.979 | 1 |
| 34785 | 33 | C | 166.965 | 1 |
| 34785 | 34 | C | 169.912 | 1 |
| 34785 | 61 | C | 167.907 | 1 |
| 34785 | 8 | C | 169.413 | 1 |
| 36345 | 34 | C | 170.991 | 1 |
| 50172 | 116 | C | 171.263 | 1 |
| 50174 | 116 | C | 171.263 | 1 |
| 50176 | 116 | C | 171.263 | 1 |
| 50177 | 116 | C | 171.263 | 1 |
| 50371 | 13 | C | 169.231 | |
| 50371 | 31 | C | 169.997 | |
| 50468 | 71 | C | 171.32945 | 1 |
| 50680 | 13 | C | 171.014 | |
| 50680 | 6 | C | 170.031 | |
| 51149 | 51 | C | 169.45 | 1 |
| 51179 | 105 | C | 170.592070034066 | |
| 51179 | 41 | C | 170.753070034066 | |
| 51347 | 197 | C | 89.797 | |
| 51380 | 117 | C | 171.071 | |
| 51380 | 118 | C | 171.058 | |
| 51380 | 86 | C | 170.910 | |
| 51515 | 227 | C | 170.20 | |
| 51533 | 169 | C | 171.150 | 1 |
| 51533 | 21 | C | 171.236 | 1 |
| 51630 | 8 | C | 171.2 | |
| 51766 | 226 | C | 169.991 | 1 |
| 51810 | 56 | C | 56.749 | |