Average chemical shift: 8.278
Standard deviation: 0.714
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 45 | 23 | H | 10.46 | 1 |
| 48 | 23 | H | 10.55 | 1 |
| 49 | 23 | H | 10.58 | 1 |
| 65 | 25 | H | 10.44 | 1 |
| 236 | 23 | H | 10.55 | 1 |
| 338 | 23 | H | 10.46 | 1 |
| 410 | 23 | H | 10.5 | 1 |
| 419 | 23 | H | 10.61 | 1 |
| 485 | 23 | H | 10.46 | 1 |
| 1580 | 85 | H | 10.89 | 1 |
| 1673 | 85 | H | 11.08 | 1 |
| 4091 | 114 | H | 10.62 | 1 |
| 4171 | 100 | H | 10.61 | 1 |
| 4249 | 19 | H | 10.47 | 1 |
| 4297 | 38 | H | 11.92 | 1 |
| 4435 | 69 | H | 11.10 | 1 |
| 4821 | 85 | H | 10.629 | 1 |
| 4844 | 84 | H | 11.541 | 1 |
| 4855 | 23 | H | 10.46 | 1 |
| 4868 | 23 | H | 10.71 | 1 |
| 4918 | 56 | H | 10.69 | 1 |
| 4968 | 23 | H | 10.524 | 1 |
| 5011 | 85 | H | 10.72 | 1 |
| 5031 | 99 | H | 11.07 | 1 |
| 5050 | 25 | H | 10.55 | 1 |
| 5121 | 38 | H | 11.89 | 1 |
| 5122 | 37 | H | 11.958 | 1 |
| 5171 | 23 | H | 10.52 | |
| 5244 | 132 | H | 11.366 | 1 |
| 5358 | 23 | H | 10.61 | 1 |
| 5359 | 23 | H | 10.60 | 1 |
| 5366 | 42 | H | 10.479 | 1 |
| 5375 | 23 | H | 10.45 | 1 |
| 5381 | 23 | H | 10.58 | 1 |
| 5471 | 185 | H | 10.85 | 1 |
| 5483 | 63 | H | 11.033 | 1 |
| 5618 | 128 | H | 11.41 | 1 |
| 5625 | 66 | H | 11.26 | 1 |
| 5721 | 218 | H | 10.87 | 1 |
| 6090 | 82 | H | 11.548 | 1 |
| 6132 | 108 | H | 10.65 | 1 |
| 6468 | 309 | H | 11.641 | 1 |
| 6572 | 66 | H | 11.5 | 1 |
| 6606 | 96 | H | 11.13 | 1 |
| 6634 | 66 | H | 11.25 | 1 |
| 6685 | 123 | H | 10.564 | 1 |
| 6729 | 30 | H | 10.63 | 1 |
| 6786 | 82 | H | 11.635 | 1 |
| 6875 | 96 | H | 10.43 | 1 |
| 6952 | 15 | H | 10.630 | |
| 6963 | 28 | H | 10.534 | 1 |
| 6963 | 28 | H | 10.576 | 1 |
| 12021 | 25 | H | 10.497 | |
| 15094 | 86 | H | 10.82 | 1 |
| 15542 | 46 | H | 10.501 | 1 |
| 15740 | 9 | H | 10.825 | 1 |
| 15893 | 7 | H | 10.482 | 1 |
| 15972 | 17 | H | 11.509 | 1 |
| 16094 | 25 | H | 10.492 | 1 |
| 16311 | 42 | H | 11.980 | 1 |
| 16366 | 39 | H | 10.83 | 1 |
| 16395 | 254 | H | 10.881 | 1 |
| 16443 | 66 | H | 10.681 | 1 |
| 16679 | 44 | H | 10.476 | 1 |
| 16967 | 17 | H | 11.638 | 1 |
| 17176 | 51 | H | 10.50 | 1 |
| 17208 | 285 | H | 12.009 | 1 |
| 17209 | 285 | H | 11.988 | 1 |
| 17210 | 285 | H | 11.969 | 1 |
| 17370 | 50 | H | 10.57 | 1 |
| 17399 | 120 | H | 10.800 | 1 |
| 17432 | 82 | H | 11.05 | 1 |
| 17471 | 310 | H | 11.592 | 1 |
| 17685 | 106 | H | 10.433 | 1 |
| 17816 | 17 | H | 10.422 | 1 |
| 17940 | 307 | H | 11.672 | 1 |
| 18200 | 100 | H | 11.045 | 1 |
| 18308 | 48 | H | 10.470 | 1 |
| 18394 | 45 | H | 11.758 | 1 |
| 18462 | 55 | H | 10.439 | 1 |
| 18825 | 21 | H | 11.731 | 1 |
| 18826 | 22 | H | 11.816 | 1 |
| 18837 | 51 | H | 10.451 | 1 |
| 18922 | 98 | H | 10.614 | |
| 19042 | 40 | H | 10.442 | 1 |
| 19869 | 17 | H | 10.623 | 1 |
| 25153 | 13 | H | 10.886 | |
| 25728 | 102 | H | 10.423000 | |
| 26532 | 98 | H | 10.5610 | 1 |
| 26535 | 98 | H | 10.5630 | 1 |
| 26750 | 49 | H | 11.10 | 1 |
| 26759 | 191 | H | 12.337 | 1 |
| 26767 | 208 | H | 12.26405 | |
| 26768 | 211 | H | 12.34 | 1 |
| 27051 | 38 | H | 11.132 | 1 |
| 27051 | 96 | H | 10.738 | 1 |
| 27131 | 23 | H | 10.5491 | 1 |
| 27183 | 283 | H | 11.012 | |
| 27183 | 98 | H | 10.978 | |
| 27234 | 130 | H | 11.14 | 1 |
| 27273 | 310 | H | 11.57 | 1 |
| 27274 | 310 | H | 11.61 | 1 |
| 27762 | 357 | H | 11 | 1 |
| 27762 | 542 | H | 11.389 | 1 |
| 28079 | 98 | H | 10.9 | 1 |
| 28080 | 283 | H | 11.212 | 1 |
| 30470 | 15 | H | 11.594 | 1 |
| 30494 | 29 | H | 10.513 | 1 |
| 30605 | 42 | H | 11.980 | 1 |
| 30606 | 42 | H | 11.980 | 1 |
| 30821 | 23 | H | 10.656 | 1 |
| 31020 | 39 | H | 10.5085 | 1 |
| 31192 | 196 | H | 11.251 | 1 |
| 36582 | 279 | H | 117.5936 | 1 |
| 50269 | 97 | H | 10.63 | 1 |
| 50507 | 46 | H | 10.427 | 1 |
| 50555 | 118 | H | 10.426 | 1 |
| 50695 | 99 | H | 11.174 | |
| 50936 | 26 | H | 10.4790 | 1 |
| 51347 | 88 | H | 11.837 | |
| 51380 | 28 | H | 11.663 | |
| 51975 | 38 | H | 10.573 | 1 |
| 51975 | 38 | H | 10.627 | 1 |
| 53313 | 39 | H | 11.308 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4022 | 204 | H | 5.64 | 1 |
| 4101 | 149 | H | 5.76 | 1 |
| 4313 | 70 | H | 5.94 | 1 |
| 4315 | 9 | H | 6.094 | 1 |
| 4342 | 30 | H | 5.88 | 1 |
| 4704 | 166 | H | 6.120 | 1 |
| 4712 | 13 | H | 5.90 | 1 |
| 4716 | 155 | H | 5.78 | 1 |
| 4782 | 103 | H | 5.99 | 1 |
| 4791 | 70 | H | 5.38 | 1 |
| 4834 | 165 | H | 5.06 | 1 |
| 4973 | 15 | H | 4.44 | 1 |
| 4983 | 167 | H | 5.98 | 1 |
| 5000 | 6 | H | 5.71 | 1 |
| 5366 | 62 | H | 5.626 | 1 |
| 5552 | 10 | H | 5.70 | 1 |
| 5686 | 216 | H | 6.07 | 1 |
| 5742 | 107 | H | 5.839 | |
| 5886 | 341 | H | 6.09 | 1 |
| 6249 | 120 | H | 5.790 | 1 |
| 6249 | 226 | H | 5.590 | 1 |
| 6249 | 274 | H | 5.050 | 1 |
| 6399 | 177 | H | 6.125 | 1 |
| 6404 | 62 | H | 5.97 | 1 |
| 6628 | 251 | H | 5.700 | 1 |
| 6785 | 109 | H | 6.024 | 1 |
| 6944 | 16 | H | 5.968 | |
| 7016 | 24 | H | 0.02 | |
| 7103 | 70 | H | 6.10 | 9 |
| 7122 | 142 | H | 5.62 | 1 |
| 7428 | 63 | H | 6.09 | 1 |
| 10035 | 86 | H | 2.575 | 1 |
| 10139 | 144 | H | 6.035 | 1 |
| 10140 | 144 | H | 5.758 | 1 |
| 11067 | 196 | H | 5.9999 | 1 |
| 11146 | 23 | H | 5.808 | 1 |
| 15020 | 125 | H | 5.973 | 1 |
| 15126 | 57 | H | 5.481 | 1 |
| 15211 | 17 | H | 5.64 | 1 |
| 15233 | 31 | H | 5.901 | 1 |
| 15234 | 31 | H | 5.956 | 1 |
| 15235 | 31 | H | 5.885 | 1 |
| 15372 | 24 | H | 6.036 | 1 |
| 15426 | 50 | H | 6.092 | |
| 15488 | 41 | H | 5.99 | 1 |
| 15505 | 101 | H | 5.75690079 | 1 |
| 15718 | 98 | H | 6.054 | 1 |
| 15729 | 24 | H | 6.011 | 1 |
| 15730 | 24 | H | 5.971 | 1 |
| 15736 | 95 | H | 5.853 | 1 |
| 16133 | 123 | H | 4.156 | 1 |
| 16321 | 20 | H | 5.947 | 1 |
| 16430 | 31 | H | 5.598 | 1 |
| 16594 | 101 | H | 6.053 | 1 |
| 16607 | 98 | H | 5.290 | 1 |
| 16934 | 136 | H | 5.764 | 1 |
| 17031 | 144 | H | 5.70 | 1 |
| 17207 | 132 | H | 5.914 | 1 |
| 17388 | 67 | H | 6.040 | |
| 17429 | 132 | H | 5.87 | 1 |
| 17808 | 46 | H | 6.124 | |
| 17812 | 46 | H | 6.117 | 1 |
| 17813 | 46 | H | 6.118 | |
| 17900 | 65 | H | 3.166 | 1 |
| 17922 | 120 | H | 6.03 | 1 |
| 17943 | 69 | H | 6.070 | 1 |
| 18097 | 108 | H | 6.101 | 1 |
| 18133 | 39 | H | 6.093 | 1 |
| 18178 | 89 | H | 5.919 | 1 |
| 18179 | 89 | H | 5.954 | 1 |
| 18353 | 19 | H | 5.919 | 1 |
| 18388 | 152 | H | 6.114 | 1 |
| 18982 | 11 | H | 5.304 | 1 |
| 19076 | 235 | H | 6.04 | 1 |
| 19082 | 94 | H | 5.8270 | 1 |
| 19169 | 93 | H | 6.106 | 1 |
| 19855 | 36 | H | 5.448 | 1 |
| 19906 | 59 | H | 6.08 | 1 |
| 19907 | 78 | H | 6.009 | 1 |
| 19908 | 78 | H | 5.928 | 1 |
| 19945 | 58 | H | 5.730 | |
| 19992 | 25 | H | 5.914 | 1 |
| 25059 | 18 | H | 5.889 | 1 |
| 25326 | 39 | H | 6.085 | |
| 25338 | 125 | H | 5.804 | 1 |
| 25339 | 105 | H | 5.997 | 1 |
| 25341 | 105 | H | 6.020 | 1 |
| 25341 | 105 | H | 6.032 | 1 |
| 25371 | 149 | H | 6.005 | |
| 26733 | 310 | H | 4.915 | 1 |
| 26754 | 34 | H | 6.035 | 1 |
| 27121 | 146 | H | 6.085 | |
| 27146 | 160 | H | 5.419 | 1 |
| 27202 | 517 | H | 2.532 | |
| 27202 | 517 | H | 2.537 | |
| 27373 | 189 | H | 6.014 | 1 |
| 27435 | 79 | H | 6.076 | 1 |
| 27462 | 163 | H | 5.877 | |
| 27463 | 163 | H | 5.858 | |
| 27521 | 156 | H | 6.089 | 1 |
| 27678 | 78 | H | 5.91 | 1 |
| 27679 | 78 | H | 5.85 | 1 |
| 27746 | 49 | H | 6.053 | 1 |
| 27879 | 314 | H | 5.962 | 1 |
| 27975 | 177 | H | 5.8191 | |
| 27976 | 177 | H | 5.8191 | |
| 30118 | 32 | H | 5.8760 | 1 |
| 30604 | 50 | H | 5.965 | |
| 30705 | 46 | H | 6.102 | 1 |
| 30770 | 36 | H | 5.994 | |
| 34227 | 36 | H | 5.977 | 1 |
| 34229 | 36 | H | 5.977 | 1 |
| 34395 | 96 | H | 6.089 | 1 |
| 34487 | 50 | H | 6.000 | 1 |
| 34730 | 12 | H | 5.930 | |
| 34921 | 115 | H | 5.763 | 1 |
| 36490 | 56 | H | 5.975 | 1 |
| 50167 | 4 | H | 5.769 | 1 |
| 50212 | 17 | H | 6.132 | 1 |
| 50371 | 179 | H | 5.736 | |
| 51181 | 78 | H | 5.66 | |
| 51181 | 78 | H | 5.70 | |
| 51181 | 78 | H | 5.75 | |
| 51181 | 78 | H | 5.85 | |
| 51424 | 112 | H | 5.408 | 1 |
| 51657 | 163 | H | 5.843 | 1 |
| 51658 | 163 | H | 5.847 | 1 |
| 51696 | 110 | H | 6.082 | 1 |
| 52003 | 163 | H | 5.843 | |
| 52004 | 163 | H | 5.858 | |
| 52149 | 42 | H | 5.04 | 1 |
| 52152 | 170 | H | 6.092381717 | 1 |
| 52153 | 170 | H | 6.102837791 | 1 |
| 52273 | 203 | H | 5.904 | 1 |
| 52293 | 203 | H | 5.922 | 1 |
| 52296 | 203 | H | 5.944 | 1 |
| 52297 | 203 | H | 5.966 | 1 |
| 52298 | 203 | H | 5.955 | 1 |
| 52300 | 203 | H | 5.981 | 1 |
| 52301 | 203 | H | 5.937 | 1 |
| 52302 | 203 | H | 6.003 | 1 |
| 52305 | 203 | H | 5.934 | 1 |
| 52306 | 203 | H | 5.956 | 1 |
| 52307 | 203 | H | 5.919 | 1 |
| 52310 | 203 | H | 5.794 | 1 |
| 52339 | 203 | H | 5.963 | 1 |
| 52489 | 34 | H | 5.912 | 1 |
| 52490 | 34 | H | 5.967 | 1 |
| 52495 | 162 | H | 5.794 | 1 |
| 52642 | 163 | H | 6.102 | |
| 52643 | 163 | H | 6.095 | |
| 52644 | 163 | H | 6.095 | |
| 52762 | 5 | H | 5.873 | 1 |
| 52763 | 5 | H | 5.906 | 1 |
| 52797 | 203 | H | 5.946 | 1 |
| 52798 | 203 | H | 5.971 | 1 |
| 52799 | 203 | H | 5.891 | 1 |
| 52800 | 203 | H | 5.952 | 1 |
| 52802 | 203 | H | 5.818 | 1 |
| 52804 | 203 | H | 5.801 | 1 |
| 52806 | 203 | H | 5.846 | 1 |
| 52808 | 203 | H | 5.810 | 1 |
| 52809 | 203 | H | 5.934 | 1 |
| 52810 | 203 | H | 5.794 | 1 |
| 52811 | 203 | H | 5.890 | 1 |
| 52872 | 83 | H | 5.978959917 | 1 |
| 52974 | 142 | H | 6.0100 | 1 |
| 52974 | 66 | H | 5.3200 | 1 |
| 53131 | 29 | H | 5.793 | 1 |
| 53314 | 40 | H | 5.66 | 1 |
| 53440 | 110 | H | 6.0677 | 1 |
| 53910 | 6 | H | 5.6720 | 1 |