PRO C Chemical Shift Outliers
Average chemical shift: 176.77
Standard deviation: 1.444
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4649 | 1 | C | 181.3046 | |
| 4670 | 90 | C | 182.0 | |
| 4735 | 6 | C | 182.3 | 1 |
| 5398 | 187 | C | 182.0 | 1 |
| 5532 | 7 | C | 181.355 | 1 |
| 5668 | 187 | C | 182.0 | 1 |
| 5968 | 47 | C | 182.300 | 1 |
| 6111 | 91 | C | 181.40 | 1 |
| 6249 | 224 | C | 181.890 | 1 |
| 6249 | 84 | C | 181.890 | 1 |
| 6801 | 39 | C | 181.341 | 1 |
| 6801 | 73 | C | 181.761 | 1 |
| 7312 | 1 | C | 181.43 | 1 |
| 15152 | 6 | C | 181.620 | 1 |
| 15158 | 224 | C | 181.89 | 1 |
| 15158 | 84 | C | 181.89 | 1 |
| 15280 | 37 | C | 181.266 | 1 |
| 15314 | 52 | C | 181.184 | 1 |
| 15327 | 47 | C | 181.6 | 1 |
| 15949 | 25 | C | 183.517 | |
| 15949 | 76 | C | 181.456 | |
| 15949 | 9 | C | 181.54 | |
| 17404 | 120 | C | 181.59 | 1 |
| 17404 | 148 | C | 181.97 | 1 |
| 17404 | 160 | C | 181.50 | 1 |
| 17404 | 175 | C | 181.18 | 1 |
| 17404 | 84 | C | 182.46 | 1 |
| 17622 | 92 | C | 182.836 | 1 |
| 17943 | 127 | C | 182.200 | 1 |
| 18244 | 53 | C | 181.7000 | 1 |
| 18244 | 7 | C | 181.6000 | 1 |
| 18249 | 156 | C | 181.716 | 1 |
| 18312 | 33 | C | 181.5 | 1 |
| 18628 | 25 | C | 181.708 | 1 |
| 18761 | 19 | C | 181.961 | 1 |
| 25104 | 30 | C | 181.892 | |
| 25482 | 54 | C | 181.119 | 1 |
| 25832 | 48 | C | 181.229 | 1 |
| 26314 | 118 | C | 182.855 | 1 |
| 26314 | 125 | C | 183.423 | 1 |
| 26314 | 16 | C | 182.865 | 1 |
| 26314 | 2 | C | 183.068 | 1 |
| 26314 | 35 | C | 182.844 | 1 |
| 26314 | 81 | C | 182.525 | 1 |
| 26314 | 86 | C | 182.992 | 1 |
| 26314 | 9 | C | 183.365 | 1 |
| 26642 | 39 | C | 181.368 | 1 |
| 27033 | 43 | C | 181.1590 | 1 |
| 27159 | 33 | C | 181.479 | 1 |
| 27265 | 30 | C | 181.892 | 1 |
| 27352 | 107 | C | 181.328 | 1 |
| 27757 | 44 | C | 181.473 | 1 |
| 30598 | 55 | C | 181.733 | 1 |
| 34113 | 50 | C | 181.984 | 1 |
| 36345 | 21 | C | 182.017 | 1 |
| 50550 | 187 | C | 181.9 | 1 |
| 50550 | 91 | C | 181.9 | 1 |
| 51240 | 47 | C | 182.014 | 1 |
| 52469 | 100 | C | 181.350 | 1 |
| 52470 | 100 | C | 181.379 | 1 |
| 52471 | 100 | C | 181.393 | 1 |
| 52472 | 100 | C | 181.375 | 1 |
| 52473 | 100 | C | 181.418 | 1 |
| 52474 | 100 | C | 181.364 | 1 |
| 53316 | 179 | C | 183.3451214 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4019 | 16 | C | 171.8 | 1 |
| 4019 | 36 | C | 171.8 | 1 |
| 4188 | 42 | C | 171.56 | 1 |
| 4193 | 112 | C | 172.3 | 1 |
| 4267 | 18 | C | 171.63 | 1 |
| 4282 | 2 | C | 172.3 | 1 |
| 4321 | 37 | C | 172.24 | 1 |
| 4395 | 27 | C | 171.8 | 1 |
| 4444 | 1 | C | 171.38 | |
| 4453 | 24 | C | 171.7 | 1 |
| 4578 | 62 | C | 171.85 | 1 |
| 4679 | 133 | C | 171.7800 | |
| 4712 | 71 | C | 171.99 | 1 |
| 4722 | 117 | C | 172.1 | 1 |
| 4722 | 44 | C | 171.3 | 1 |
| 4821 | 128 | C | 172.035 | 1 |
| 4945 | 105 | C | 172.00 | 1 |
| 4978 | 88 | C | 171.08 | 1 |
| 5054 | 43 | C | 172.2 | 1 |
| 5090 | 49 | C | 172.05 | 1 |
| 5182 | 89 | C | 171.55 | 1 |
| 5222 | 140 | C | 168.9 | 1 |
| 5305 | 90 | C | 171.555 | 1 |
| 5407 | 54 | C | 172.201 | |
| 5532 | 1 | C | 156.212 | 1 |
| 5532 | 3 | C | 150.585 | 1 |
| 5540 | 2 | C | 172.4 | 1 |
| 5571 | 2 | C | 172 | 1 |
| 5578 | 1 | C | 171.0 | |
| 5579 | 1 | C | 171.1 | |
| 5678 | 49 | C | 171.1 | 1 |
| 5682 | 23 | C | 170.5 | 1 |
| 5785 | 74 | C | 171.89 | 1 |
| 5798 | 77 | C | 171.4 | 1 |
| 5929 | 39 | C | 172.4 | 1 |
| 6073 | 62 | C | 171.27 | |
| 6073 | 92 | C | 170.92 | |
| 6130 | 67 | C | 172.11 | |
| 6331 | 59 | C | 172.016 | 1 |
| 6341 | 85 | C | 172.388 | 1 |
| 6605 | 99 | C | 170.25 | |
| 6606 | 87 | C | 172.3 | 1 |
| 6642 | 36 | C | 171.931 | 1 |
| 6699 | 20 | C | 171.934 | 1 |
| 6725 | 44 | C | 172.19 | 1 |
| 6730 | 15 | C | 134.629 | |
| 6730 | 25 | C | 132.088 | |
| 6730 | 47 | C | 132.244 | |
| 6730 | 68 | C | 133.427 | |
| 6730 | 71 | C | 130.307 | |
| 6730 | 86 | C | 133.279 | |
| 6730 | 89 | C | 132.448 | |
| 6732 | 49 | C | 171.013 | |
| 6759 | 104 | C | 171.4160 | |
| 6794 | 25 | C | 168.427 | 1 |
| 6794 | 55 | C | 171.579 | 1 |
| 6794 | 57 | C | 171.340 | 1 |
| 6794 | 61 | C | 171.066 | 1 |
| 6794 | 75 | C | 170.679 | 1 |
| 6794 | 90 | C | 171.083 | 1 |
| 6794 | 96 | C | 170.708 | 1 |
| 6844 | 72 | C | 117.718 | 1 |
| 6867 | 1 | C | 172.148 | 1 |
| 6875 | 10 | C | 172.32 | 1 |
| 6904 | 26 | C | 171.790 | 1 |
| 7083 | 4 | C | 172.42 | 1 |
| 7184 | 50 | C | 171.380 | 1 |
| 7184 | 80 | C | 171.580 | 1 |
| 7220 | 28 | C | 172.060 | 1 |
| 7220 | 80 | C | 172.270 | 1 |
| 7264 | 196 | C | 172.281 | 1 |
| 7291 | 31 | C | 117.05 | 1 |
| 7300 | 41 | C | 171.31 | 1 |
| 7300 | 45 | C | 171.85 | 1 |
| 7300 | 50 | C | 171.16 | 1 |
| 7307 | 92 | C | 171.3 | 1 |
| 7308 | 92 | C | 171.7 | 1 |
| 7320 | 63 | C | 172.069 | 1 |
| 7383 | 11 | C | 171.6 | |
| 7414 | 151 | C | 170.204 | 1 |
| 7414 | 53 | C | 171.395 | 1 |
| 10052 | 159 | C | 169.615 | 1 |
| 10052 | 42 | C | 171.769 | 1 |
| 10052 | 61 | C | 172.048 | 1 |
| 10260 | 11 | C | 171.993 | 1 |
| 10273 | 23 | C | 172.331 | 1 |
| 11125 | 14 | C | 172.022 | 1 |
| 11125 | 8 | C | 172.107 | 1 |
| 11127 | 10 | C | 171.109 | 1 |
| 11128 | 12 | C | 171.234 | 1 |
| 11143 | 97 | C | 172.022 | 1 |
| 11145 | 96 | C | 171.767 | 1 |
| 11148 | 16 | C | 171.371 | 1 |
| 11148 | 74 | C | 171.470 | 1 |
| 11236 | 12 | C | 171.785 | 1 |
| 11349 | 59 | C | 170.658 | 1 |
| 11562 | 8 | C | 64.254 | 1 |
| 15046 | 36 | C | 172.400 | 1 |
| 15128 | 139 | C | 171.393 | 1 |
| 15128 | 143 | C | 171.979 | 1 |
| 15128 | 151 | C | 171.310 | 1 |
| 15128 | 54 | C | 172.317 | 1 |
| 15128 | 97 | C | 170.787 | 1 |
| 15128 | 99 | C | 170.088 | 1 |
| 15315 | 122 | C | 171.309 | 1 |
| 15315 | 143 | C | 171.140 | 1 |
| 15315 | 49 | C | 172.327 | 1 |
| 15317 | 2 | C | 172.3 | 1 |
| 15346 | 2 | C | 172.2 | 1 |
| 15492 | 89 | C | 171.7 | 1 |
| 15493 | 89 | C | 171.7 | 1 |
| 15494 | 89 | C | 171.8 | 1 |
| 15495 | 89 | C | 171.9 | 1 |
| 15496 | 89 | C | 172.3 | 1 |
| 15558 | 136 | C | 172.100 | 1 |
| 15578 | 134 | C | 171.414 | 1 |
| 15578 | 225 | C | 171.365 | 1 |
| 15578 | 323 | C | 170.208 | 1 |
| 15578 | 83 | C | 171.928 | 1 |
| 15581 | 1 | C | 170.900 | 1 |
| 15680 | 194 | C | 171.007 | 1 |
| 15690 | 2 | C | 171.3 | 1 |
| 15723 | 56 | C | 171.012 | 1 |
| 15783 | 4 | C | 172.359 | |
| 15788 | 121 | C | 172.3 | 1 |
| 15788 | 58 | C | 171.6 | 1 |
| 15820 | 24 | C | 172.220 | |
| 15835 | 98 | C | 171.676 | 1 |
| 15912 | 58 | C | 172.28 | 1 |
| 15960 | 4 | C | 172.3 | |
| 16033 | 4 | C | 172.227 | 1 |
| 16043 | 71 | C | 168.3520 | 1 |
| 16068 | 40 | C | 3.820 | 1 |
| 16068 | 55 | C | 3.600 | 1 |
| 16068 | 63 | C | 3.190 | 1 |
| 16204 | 104 | C | 172.334 | 1 |
| 16204 | 16 | C | 171.354 | 1 |
| 16237 | 75 | C | 172.0 | 1 |
| 16337 | 28 | C | 170.3 | 1 |
| 16647 | 17 | C | 172.4 | 1 |
| 16708 | 11 | C | 172.3 | 1 |
| 16708 | 180 | C | 172.1 | 1 |
| 16809 | 105 | C | 171.29 | 1 |
| 16809 | 39 | C | 172.32 | 1 |
| 16809 | 56 | C | 169.76 | 1 |
| 16809 | 70 | C | 170.23 | 1 |
| 16884 | 34 | C | 171.6 | 1 |
| 16884 | 63 | C | 172.2 | 1 |
| 16884 | 9 | C | 168.8 | 1 |
| 16884 | 96 | C | 169.9 | 1 |
| 16934 | 135 | C | 172.119 | 1 |
| 16984 | 192 | C | 170.570 | 1 |
| 16984 | 230 | C | 168.381 | 1 |
| 16984 | 249 | C | 169.706 | 1 |
| 16984 | 40 | C | 171.878 | 1 |
| 17081 | 40 | C | 172.044 | 1 |
| 17082 | 40 | C | 172.332 | 1 |
| 17207 | 2 | C | 171.853 | 1 |
| 17284 | 7 | C | 171.405 | 1 |
| 17388 | 19 | C | 172.102 | 1 |
| 17410 | 192 | C | 171.704 | 1 |
| 17429 | 131 | C | 172.4 | 1 |
| 17443 | 121 | C | 172.292 | 1 |
| 17456 | 3 | C | 171.755 | 1 |
| 17456 | 55 | C | 172.198 | 1 |
| 17456 | 78 | C | 170.009 | 1 |
| 17477 | 136 | C | 172.119 | 1 |
| 17481 | 80 | C | 170.885 | 1 |
| 17590 | 65 | C | 171.900 | 1 |
| 17591 | 65 | C | 171.900 | 1 |
| 17592 | 65 | C | 171.900 | 1 |
| 17631 | 23 | C | 63.701 | 1 |
| 17635 | 68 | C | 171.345 | 1 |
| 17670 | 85 | C | 171.507 | 1 |
| 17674 | 4 | C | 172.359 | |
| 17704 | 50 | C | 171.241 | 1 |
| 17737 | 78 | C | 172.120 | 1 |
| 17738 | 2 | C | 171.754 | 1 |
| 17809 | 76 | C | 171.4 | 1 |
| 17886 | 25 | C | 172.142 | 1 |
| 18031 | 79 | C | 172.208 | 1 |
| 18046 | 1 | C | 171.725 | 1 |
| 18132 | 55 | C | 0.092 | 1 |
| 18132 | 60 | C | 0.047 | 1 |
| 18132 | 71 | C | 0.178 | 1 |
| 18179 | 36 | C | 172.189 | 1 |
| 18257 | 220 | C | 171.493 | 1 |
| 18257 | 66 | C | 172.231 | 1 |
| 18276 | 38 | C | 172.35 | |
| 18292 | 62 | C | 171.443 | 1 |
| 18388 | 109 | C | 171.335 | 1 |
| 18389 | 109 | C | 171.443 | 1 |
| 18509 | 62 | C | 172.276 | 1 |
| 18547 | 90 | C | 171.4 | 1 |
| 18708 | 62 | C | 172.276 | 1 |
| 18730 | 146 | C | 170.43 | 1 |
| 18730 | 202 | C | 170.63 | 1 |
| 18777 | 108 | C | 170.083 | 1 |
| 18856 | 74 | C | 170.954 | |
| 18991 | 2 | C | 171.003 | 1 |
| 19052 | 31 | C | 171.319 | 1 |
| 19055 | 72 | C | 0 | 1 |
| 19055 | 76 | C | 0 | 1 |
| 19055 | 89 | C | 0 | 1 |
| 19107 | 230 | C | 172.2500 | |
| 19161 | 2 | C | 172.1805 | 1 |
| 19261 | 1 | C | 171.899 | |
| 19264 | 1 | C | 171.899 | |
| 19272 | 118 | C | 172.017 | 1 |
| 19459 | 19 | C | 171.5546 | |
| 19459 | 29 | C | 171.1626 | |
| 19459 | 73 | C | 172.2280 | |
| 19459 | 75 | C | 172.3495 | |
| 19497 | 1 | C | 171.275 | 1 |
| 19575 | 1 | C | 171.95 | |
| 19596 | 42 | C | 172.309 | 1 |
| 19596 | 49 | C | 172.018 | 1 |
| 19752 | 67 | C | 170.0300 | 1 |
| 19952 | 108 | C | 170.083 | 1 |
| 25105 | 53 | C | 171.862 | |
| 25263 | 15 | C | 172.373 | 1 |
| 25342 | 91 | C | 170.911 | 1 |
| 25358 | 11 | C | 172.4350 | 1 |
| 25379 | 16 | C | 171.589 | 1 |
| 25379 | 24 | C | 170.503 | 1 |
| 25379 | 35 | C | 169.224 | 1 |
| 25379 | 40 | C | 170.781 | 1 |
| 25379 | 47 | C | 172.109 | 1 |
| 25379 | 69 | C | 171.415 | 1 |
| 25379 | 81 | C | 171.98 | 1 |
| 25381 | 25 | C | 172.404 | 1 |
| 25567 | 91 | C | 171.019 | |
| 25650 | 19 | C | 171.5 | 1 |
| 25679 | 33 | C | 3.566 | |
| 25704 | 6 | C | 171.660 | 1 |
| 25716 | 33 | C | 172.190 | |
| 25760 | 166 | C | 170.973 | |
| 25800 | 19 | C | 171.48 | 1 |
| 25830 | 81 | C | 171.325 | 1 |
| 25851 | 127 | C | 172.063 | 1 |
| 25924 | 27 | C | 172.234 | |
| 25924 | 60 | C | 172.019 | |
| 25973 | 19 | C | 172.411 | |
| 25995 | 112 | C | 171.141 | 1 |
| 25995 | 13 | C | 171.233 | 1 |
| 25995 | 132 | C | 172.136 | 1 |
| 25995 | 134 | C | 171.134 | 1 |
| 25995 | 77 | C | 171.714 | 1 |
| 25995 | 86 | C | 171.639 | 1 |
| 25995 | 9 | C | 171.923 | 1 |
| 26557 | 120 | C | 32.1 | |
| 26717 | 189 | C | 172.3 | 1 |
| 26717 | 78 | C | 170.2 | 1 |
| 26725 | 4 | C | 170.273 | |
| 26763 | 108 | C | 170.101 | 1 |
| 26973 | 30 | C | 172.023 | 1 |
| 26973 | 44 | C | 172.376 | 1 |
| 26973 | 71 | C | 172.068 | 1 |
| 26985 | 128 | C | 172.4 | |
| 26996 | 115 | C | 172.09 | |
| 26996 | 141 | C | 171.47 | |
| 26996 | 147 | C | 170.62 | |
| 27035 | 100 | C | 171.969 | 1 |
| 27035 | 118 | C | 171.431 | 1 |
| 27035 | 120 | C | 172.398 | 1 |
| 27035 | 62 | C | 171.693 | 1 |
| 27035 | 66 | C | 171.418 | 1 |
| 27035 | 73 | C | 172.413 | 1 |
| 27049 | 144 | C | 171.702 | 1 |
| 27050 | 144 | C | 171.702 | 1 |
| 27107 | 3 | C | 76.9721832 | |
| 27180 | 157 | C | 32.2 | 1 |
| 27202 | 308 | C | 24.246 | |
| 27247 | 41 | C | 116.153 | |
| 27483 | 59 | C | 171.583 | 1 |
| 27592 | 120 | C | 172.091 | 1 |
| 27707 | 35 | C | 32.380 | 1 |
| 27707 | 56 | C | 32.494 | 1 |
| 27707 | 86 | C | 32.077 | 1 |
| 27774 | 102 | C | 171.095 | 1 |
| 27774 | 180 | C | 171.725 | 1 |
| 27774 | 240 | C | 170.348 | 1 |
| 27840 | 89 | C | 171.383 | 1 |
| 27841 | 89 | C | 171.648 | 1 |
| 27859 | 186 | C | 171.9 | |
| 27859 | 202 | C | 172.3 | |
| 27859 | 30 | C | 170.2 | |
| 27876 | 129 | C | 171.226 | 1 |
| 27959 | 103 | C | 171.871 | 1 |
| 27989 | 212 | C | 171.024 | 1 |
| 28109 | 118 | C | 172.068 | 1 |
| 30035 | 1 | C | 171.95 | |
| 30133 | 89 | C | 171.422 | 9 |
| 30172 | 44 | C | 171.9800 | 1 |
| 30469 | 49 | C | 171.367 | |
| 30469 | 55 | C | 172.433 | |
| 30537 | 49 | C | 171.0 | 1 |
| 30646 | 44 | C | 171.9 | 1 |
| 30738 | 54 | C | 172.3932 | 1 |
| 31001 | 8 | C | 170.4 | |
| 31001 | 8 | C | 171.0 | |
| 31019 | 8 | C | 170.4 | 1 |
| 31025 | 80 | C | 171.927 | |
| 31039 | 64 | C | 172.0000 | 1 |
| 31192 | 16 | C | 172.288 | 1 |
| 31192 | 31 | C | 172.287 | 1 |
| 34139 | 42 | C | 170.012 | |
| 34365 | 147 | C | 172.382 | |
| 34785 | 20 | C | 169.452 | 1 |
| 34785 | 54 | C | 169.978 | 1 |
| 34996 | 114 | C | 171.724 | 1 |
| 34996 | 123 | C | 171.374 | 1 |
| 34999 | 114 | C | 171.727 | 1 |
| 34999 | 123 | C | 171.369 | 1 |
| 35000 | 123 | C | 171.288 | 1 |
| 36154 | 78 | C | 171.056 | 1 |
| 36324 | 107 | C | 168.57533 | 1 |
| 36343 | 7 | C | 171.9 | 1 |
| 36345 | 40 | C | 169.683 | 1 |
| 36368 | 49 | C | 172.069 | 1 |
| 50008 | 41 | C | 172.399 | |
| 50026 | 135 | C | 171.384 | |
| 50139 | 21 | C | 172.320 | 1 |
| 50192 | 59 | C | 171.262 | 1 |
| 50334 | 15 | C | 171.730 | 1 |
| 50334 | 60 | C | 171.090 | 1 |
| 50371 | 17 | C | 169.088 | |
| 50371 | 25 | C | 171.584 | |
| 50371 | 69 | C | 171.915 | |
| 50412 | 90 | C | 171.7316 | 1 |
| 50541 | 1 | C | 171.3 | 1 |
| 50550 | 1 | C | 171.4 | 1 |
| 50550 | 9 | C | 171.7 | 1 |
| 50743 | 134 | C | 172.303 | 1 |
| 50743 | 161 | C | 172.163 | 1 |
| 50754 | 112 | C | 172.298 | 1 |
| 51342 | 17 | C | 172.430 | 1 |
| 51488 | 154 | C | 172.3 | 1 |
| 51489 | 68 | C | 172.4 | |
| 51621 | 16 | C | 172.145 | 1 |
| 51621 | 2 | C | 171.381 | 1 |
| 51622 | 16 | C | 172.147 | 1 |
| 51622 | 2 | C | 171.376 | 1 |
| 51623 | 15 | C | 172.141 | 1 |
| 51623 | 2 | C | 171.376 | 1 |
| 51699 | 71 | C | 169.723 | 1 |
| 51994 | 117 | C | 171.96 | 1 |
| 51994 | 23 | C | 172.08 | 1 |
| 52087 | 17 | C | 171.514 | 1 |
| 52087 | 22 | C | 171.619 | 1 |
| 52087 | 31 | C | 172.162 | 1 |
| 52087 | 87 | C | 171.338 | 1 |
| 52147 | 54 | C | 169.480 | |
| 52270 | 49 | C | 170.111 | |
| 52349 | 56 | C | 172.054 | 1 |
| 52381 | 11 | C | 172.000 | 1 |
| 52530 | 14 | C | 172.2383995 | |
| 52556 | 261 | C | 170.70 | |
| 52661 | 4 | C | 171.976 | |
| 52665 | 17 | C | 171.983 | |
| 52736 | 86 | C | 172.275 | 1 |
| 52882 | 122 | C | 172.011 | 1 |
| 52883 | 102 | C | 171.962 | 1 |
| 52883 | 122 | C | 171.913 | 1 |
| 52911 | 17 | C | 171.951 | 1 |
| 53011 | 21 | C | 171.855 | |
| 53287 | 56 | C | 171.8 | 1 |
| 53287 | 72 | C | 172.2 | 1 |