Average chemical shift: 8.244
Standard deviation: 0.662
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 274 | 18 | H | 11 | 1 |
| 292 | 93 | H | 13.2 | 1 |
| 346 | 23 | H | 11.02 | 1 |
| 923 | 23 | H | 11.02 | 1 |
| 1171 | 18 | H | 10.78 | 1 |
| 1207 | 61 | H | 11.13 | 1 |
| 1719 | 23 | H | 11.02 | 1 |
| 1808 | 170 | H | 11.98 | 1 |
| 1839 | 175 | H | 12.9 | 1 |
| 1841 | 175 | H | 12.8 | 1 |
| 1889 | 175 | H | 12.8 | 1 |
| 2038 | 177 | H | 11.57 | 1 |
| 2208 | 92 | H | 10.58 | 1 |
| 4022 | 107 | H | 10.8 | 1 |
| 4049 | 82 | H | 10.47 | 1 |
| 4202 | 48 | H | 10.34 | 1 |
| 4435 | 26 | H | 11.67 | 1 |
| 4435 | 29 | H | 10.28 | 1 |
| 4435 | 38 | H | 10.57 | 1 |
| 4435 | 39 | H | 11.22 | 1 |
| 4435 | 55 | H | 12.44 | 1 |
| 4602 | 63 | H | 11.45 | 1 |
| 4744 | 17 | H | 11.517 | |
| 4744 | 20 | H | 12.046 | |
| 4744 | 30 | H | 11.649 | |
| 4744 | 45 | H | 11.412 | |
| 4777 | 18 | H | 11.74 | 1 |
| 4777 | 29 | H | 10.52 | 1 |
| 4805 | 61 | H | 11.44 | 1 |
| 4806 | 61 | H | 11.28 | 1 |
| 4807 | 61 | H | 11.40 | 1 |
| 4810 | 61 | H | 11.44 | 1 |
| 4837 | 53 | H | 12.81 | 1 |
| 4837 | 95 | H | 12.26 | 1 |
| 4955 | 5 | H | 10.615 | 1 |
| 5005 | 27 | H | 11.44 | 1 |
| 5019 | 98 | H | 11.030 | 1 |
| 5026 | 18 | H | 10.93 | |
| 5104 | 44 | H | 10.27 | 1 |
| 5172 | 15 | H | 13.01 | 1 |
| 5239 | 25 | H | 11.48 | 1 |
| 5239 | 67 | H | 10.47 | 1 |
| 5269 | 46 | H | 10.71 | 1 |
| 5279 | 17 | H | 11.596 | |
| 5279 | 20 | H | 12.167 | |
| 5279 | 30 | H | 11.722 | |
| 5279 | 45 | H | 11.522 | |
| 5352 | 60 | H | 10.63 | |
| 5396 | 64 | H | 10.536 | 1 |
| 5466 | 10 | H | 11.4 | |
| 5625 | 22 | H | 11.89 | 1 |
| 5625 | 25 | H | 10.39 | 1 |
| 5625 | 34 | H | 10.63 | 1 |
| 5625 | 35 | H | 11.72 | 1 |
| 5625 | 52 | H | 12.61 | 1 |
| 5625 | 67 | H | 10.69 | 1 |
| 5696 | 62 | H | 10.32 | 1 |
| 5697 | 62 | H | 10.32 | 1 |
| 5712 | 37 | H | 10.73 | 1 |
| 5721 | 188 | H | 10.46 | 1 |
| 5745 | 67 | H | 11.36 | 1 |
| 5802 | 69 | H | 10.42 | 1 |
| 5802 | 69 | H | 10.68 | 1 |
| 5809 | 87 | H | 13.08 | 1 |
| 5809 | 87 | H | 13.18 | 1 |
| 5828 | 18 | H | 10.94 | 1 |
| 5830 | 18 | H | 10.88 | 1 |
| 6131 | 61 | H | 11.652 | 1 |
| 6141 | 92 | H | 10.873 | 1 |
| 6230 | 92 | H | 13.24 | 1 |
| 6230 | 92 | H | 13.34 | 1 |
| 6344 | 134 | H | 10.96 | 1 |
| 6365 | 51 | H | 10.98 | 1 |
| 6369 | 48 | H | 10.72 | 1 |
| 6452 | 63 | H | 10.37 | |
| 6572 | 22 | H | 11.86 | 1 |
| 6572 | 25 | H | 10.3 | 1 |
| 6572 | 34 | H | 10.58 | 1 |
| 6572 | 52 | H | 12.22 | 1 |
| 6572 | 67 | H | 11.03 | 1 |
| 6572 | 83 | H | 11.97 | 1 |
| 6590 | 84 | H | 10.40 | 1 |
| 6613 | 134 | H | 10.269 | 1 |
| 6634 | 22 | H | 11.86 | 1 |
| 6634 | 25 | H | 10.40 | 1 |
| 6634 | 34 | H | 10.50 | 1 |
| 6634 | 35 | H | 11.59 | 1 |
| 6634 | 52 | H | 12.61 | 1 |
| 6634 | 67 | H | 10.68 | 1 |
| 6823 | 160 | H | 10.467 | 1 |
| 6843 | 8 | H | 10.75 | 1 |
| 6863 | 15 | H | 10.4021 | |
| 6921 | 67 | H | 10.967 | 1 |
| 6925 | 17 | H | 10.304 | 1 |
| 6940 | 34 | H | 10.525 | 1 |
| 6983 | 146 | H | 11.22 | 1 |
| 6983 | 26 | H | 10.37 | 1 |
| 6987 | 146 | H | 11.25 | 1 |
| 6987 | 26 | H | 10.36 | 1 |
| 6990 | 34 | H | 10.295 | 1 |
| 7000 | 25 | H | 11.11 | 1 |
| 7069 | 13 | H | 10.317 | |
| 7072 | 65 | H | 10.368 | 1 |
| 7115 | 37 | H | 10.70 | 1 |
| 7194 | 16 | H | 10.495 | 1 |
| 7310 | 92 | H | 10.878 | 1 |
| 7359 | 57 | H | 11.389 | 1 |
| 7360 | 57 | H | 11.389 | 1 |
| 10029 | 74 | H | 12.392 | 1 |
| 10061 | 69 | H | 10.432 | 1 |
| 10134 | 14 | H | 10.476 | 1 |
| 10161 | 74 | H | 10.240 | 1 |
| 10242 | 80 | H | 10.266 | 1 |
| 10331 | 74 | H | 10.308 | 1 |
| 11175 | 89 | H | 11.428 | 1 |
| 11199 | 66 | H | 10.239 | 1 |
| 11424 | 78 | H | 10.591 | 1 |
| 11575 | 83 | H | 10.697 | 1 |
| 12014 | 102 | H | 10.6768 | 1 |
| 15046 | 60 | H | 10.310 | 1 |
| 15301 | 23 | H | 11.219 | 1 |
| 15611 | 76 | H | 10.436 | 1 |
| 15680 | 18 | H | 10.487 | 1 |
| 15757 | 65 | H | 10.34 | 1 |
| 15913 | 73 | H | 10.3500 | 1 |
| 16108 | 109 | H | 10.381 | 1 |
| 16146 | 4 | H | 10.641 | 1 |
| 16276 | 166 | H | 10.352 | 1 |
| 16278 | 166 | H | 10.293 | 1 |
| 16306 | 45 | H | 11.04 | 1 |
| 16307 | 45 | H | 10.64 | 1 |
| 16307 | 45 | H | 10.67 | 1 |
| 16307 | 69 | H | 10.45 | 1 |
| 16307 | 69 | H | 10.46 | 1 |
| 16443 | 22 | H | 11.707 | 1 |
| 16443 | 25 | H | 11.027 | 1 |
| 16443 | 34 | H | 10.999 | 1 |
| 16443 | 35 | H | 12.377 | 1 |
| 16443 | 52 | H | 12.348 | 1 |
| 16443 | 69 | H | 11.004 | 1 |
| 16447 | 150 | H | 10.250 | 1 |
| 16464 | 150 | H | 10.460 | 1 |
| 16475 | 19 | H | 10.44 | 1 |
| 16805 | 28 | H | 10.680 | 1 |
| 16940 | 79 | H | 10.46 | 1 |
| 16969 | 26 | H | 11.989 | 1 |
| 17009 | 52 | H | 11.815 | 1 |
| 17144 | 18 | H | 11.23 | 1 |
| 17226 | 81 | H | 10.614 | 1 |
| 17236 | 18 | H | 11.07 | 1 |
| 17311 | 64 | H | 10.585 | 1 |
| 17362 | 88 | H | 10.56 | 1 |
| 17446 | 189 | H | 10.281 | 1 |
| 17586 | 92 | H | 10.774 | 1 |
| 17597 | 206 | H | 10.39 | 1 |
| 17660 | 216 | H | 10.800 | 1 |
| 17815 | 89 | H | 10.244 | 1 |
| 17824 | 74 | H | 10.457 | 1 |
| 17845 | 23 | H | 10.99 | 1 |
| 17845 | 23 | H | 11.00 | 1 |
| 17847 | 18 | H | 10.77 | 1 |
| 17847 | 18 | H | 10.78 | 1 |
| 17886 | 28 | H | 10.723 | 1 |
| 17903 | 23 | H | 10.592 | |
| 17903 | 76 | H | 11.262 | |
| 18032 | 28 | H | 10.68 | 1 |
| 18263 | 28 | H | 10.68 | 1 |
| 18312 | 95 | H | 10.74 | 1 |
| 18345 | 8 | H | 10.50 | 1 |
| 18477 | 164 | H | 10.59 | 1 |
| 18539 | 36 | H | 10.288 | 1 |
| 18588 | 45 | H | 10.85 | 1 |
| 18596 | 64 | H | 10.35 | 1 |
| 18628 | 82 | H | 10.893 | 1 |
| 18741 | 190 | H | 11.344 | 1 |
| 18782 | 35 | H | 10.847 | 1 |
| 18825 | 26 | H | 10.290 | 1 |
| 18826 | 27 | H | 10.383 | 1 |
| 18919 | 68 | H | 11.404 | |
| 18995 | 42 | H | 10.406 | 1 |
| 19079 | 113 | H | 10.445 | |
| 19079 | 8 | H | 10.809 | |
| 19084 | 16 | H | 10.375 | |
| 19204 | 16 | H | 10.263 | |
| 19432 | 104 | H | 10.6589 | 1 |
| 19638 | 23 | H | 11.098 | |
| 19643 | 31 | H | 10.469 | 1 |
| 19818 | 64 | H | 10.582 | 1 |
| 19818 | 64 | H | 10.610 | 1 |
| 19818 | 96 | H | 11.230 | 1 |
| 19818 | 96 | H | 11.614 | 1 |
| 19819 | 96 | H | 10.859 | 1 |
| 19819 | 96 | H | 11.304 | 1 |
| 19852 | 48 | H | 10.390 | 1 |
| 19854 | 48 | H | 10.390 | 1 |
| 25104 | 92 | H | 10.736 | |
| 25150 | 83 | H | 10.996 | |
| 25336 | 84 | H | 10.945 | 1 |
| 25337 | 92 | H | 10.728 | 1 |
| 25340 | 93 | H | 10.963 | 1 |
| 25418 | 18 | H | 10.809 | 1 |
| 25422 | 18 | H | 10.954 | 1 |
| 25477 | 17 | H | 11.607 | 1 |
| 25477 | 20 | H | 12.109 | 1 |
| 25477 | 31 | H | 11.948 | 1 |
| 25477 | 47 | H | 11.691 | 1 |
| 25477 | 69 | H | 11.614 | 1 |
| 25502 | 92 | H | 10.706 | |
| 25554 | 48 | H | 10.390 | 1 |
| 25575 | 55 | H | 10.30 | 1 |
| 25832 | 110 | H | 10.969 | 1 |
| 25834 | 43 | H | 11.289 | 1 |
| 25887 | 15 | H | 11.587 | 1 |
| 25908 | 18 | H | 10.831 | |
| 26578 | 18 | H | 10.728 | 1 |
| 26700 | 26 | H | 11.904 | 1 |
| 26788 | 209 | H | 10.735 | 1 |
| 26851 | 154 | H | 10.532 | 1 |
| 26885 | 76 | H | 11.37 | |
| 26928 | 51 | H | 10.257 | 1 |
| 26933 | 52 | H | 10.450 | 1 |
| 26962 | 206 | H | 11.593 | |
| 27022 | 170 | H | 10.658 | 1 |
| 27082 | 161 | H | 11.490 | |
| 27121 | 19 | H | 10.427 | |
| 27159 | 102 | H | 10.689 | 1 |
| 27217 | 92 | H | 10.266 | 1 |
| 27217 | 92 | H | 10.301 | 1 |
| 27218 | 92 | H | 10.304 | 1 |
| 27254 | 18 | H | 10.818 | 1 |
| 27265 | 92 | H | 10.720 | 1 |
| 27282 | 52 | H | 10.389 | 1 |
| 27427 | 37 | H | 10.687 | 1 |
| 27428 | 37 | H | 10.687 | 1 |
| 27620 | 94 | H | 10.73 | 1 |
| 27691 | 115 | H | 10.308 | 1 |
| 27859 | 107 | H | 10.56 | |
| 27987 | 17 | H | 11.602 | 1 |
| 27987 | 20 | H | 11.836 | 1 |
| 27987 | 31 | H | 12.014 | 1 |
| 27987 | 47 | H | 12.624 | 1 |
| 27987 | 54 | H | 10.378 | 1 |
| 27987 | 68 | H | 11.714 | 1 |
| 28063 | 16 | H | 10.280 | |
| 30475 | 8 | H | 10.692 | 1 |
| 30770 | 133 | H | 11.785 | |
| 30937 | 65 | H | 10.388 | 1 |
| 30977 | 92 | H | 10.710 | 1 |
| 34308 | 107 | H | 10.778 | 1 |
| 34347 | 107 | H | 10.789 | |
| 34361 | 43 | H | 12.022 | 1 |
| 34460 | 59 | H | 10.307 | |
| 34618 | 59 | H | 10.377 | 1 |
| 34630 | 53 | H | 10.389 | |
| 34817 | 121 | H | 10.801 | |
| 34977 | 37 | H | 11.414 | 1 |
| 34977 | 95 | H | 11.349 | 1 |
| 36026 | 59 | H | 10.432 | 1 |
| 36027 | 59 | H | 10.385 | 1 |
| 36075 | 25 | H | 10.58 | 1 |
| 36771 | 40 | H | 10.367 | 1 |
| 50094 | 215 | H | 10.415 | 1 |
| 50476 | 194 | H | 10.627 | 1 |
| 50576 | 194 | H | 10.6421 | |
| 50580 | 74 | H | 177.991 | |
| 50676 | 79 | H | 10.392 | |
| 50678 | 79 | H | 10.44168 | |
| 50679 | 79 | H | 10.452 | |
| 51083 | 46 | H | 10.392 | 1 |
| 51084 | 46 | H | 10.33 | 1 |
| 51149 | 51 | H | 10.25 | 1 |
| 51156 | 205 | H | 10.2868 | 1 |
| 51209 | 28 | H | 10.2650 | 1 |
| 51210 | 28 | H | 10.6600 | 1 |
| 51502 | 7 | H | 11.126 | 1 |
| 51503 | 7 | H | 11.260 | 1 |
| 51848 | 45 | H | 10.76 | 1 |
| 51848 | 69 | H | 10.56 | 1 |
| 52498 | 107 | H | 10.689 | 1 |
| 52661 | 92 | H | 10.892 | |
| 52665 | 105 | H | 10.881 | |
| 53240 | 34 | H | 10.3041 | 1 |
| 53294 | 63 | H | 10.244 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 294 | 37 | H | 6.01 | 1 |
| 294 | 61 | H | 6.15 | 1 |
| 295 | 37 | H | 6.04 | 1 |
| 295 | 61 | H | 6.25 | 1 |
| 1208 | 37 | H | 6.05 | 1 |
| 1208 | 61 | H | 6.23 | 1 |
| 1324 | 61 | H | 6.2 | 1 |
| 4049 | 80 | H | 5.82 | 1 |
| 4102 | 145 | H | 5.79 | 1 |
| 4102 | 84 | H | 5.53 | 1 |
| 4127 | 20 | H | 4.60 | 1 |
| 4130 | 39 | H | 6.01 | |
| 4130 | 63 | H | 6.02 | |
| 4131 | 39 | H | 5.91 | |
| 4131 | 63 | H | 5.96 | |
| 4173 | 129 | H | 5.30 | 1 |
| 4291 | 106 | H | 5.975 | 1 |
| 4291 | 25 | H | 5.896 | 1 |
| 4291 | 35 | H | 4.477 | 1 |
| 4291 | 70 | H | 5.850 | 1 |
| 4326 | 51 | H | 6.20 | 1 |
| 4342 | 89 | H | 5.94 | 1 |
| 4364 | 122 | H | 5.23 | 1 |
| 4436 | 110 | H | 6.12 | 1 |
| 4436 | 29 | H | 5.81 | 1 |
| 4436 | 73 | H | 5.84 | 1 |
| 4444 | 119 | H | 5.93 | |
| 4743 | 17 | H | 6.21 | 1 |
| 4743 | 45 | H | 6.19 | 1 |
| 4743 | 53 | H | 5.75 | 1 |
| 4803 | 37 | H | 6.00 | 1 |
| 4803 | 61 | H | 6.19 | 1 |
| 4804 | 37 | H | 6.08 | 1 |
| 4808 | 37 | H | 6.09 | 1 |
| 4809 | 37 | H | 6.09 | 1 |
| 5019 | 46 | H | 6.056 | 1 |
| 5091 | 39 | H | 6.070 | 1 |
| 5147 | 54 | H | 6.02 | 1 |
| 5173 | 16 | H | 6.08 | 1 |
| 5333 | 106 | H | 5.80 | 1 |
| 5333 | 25 | H | 5.89 | 1 |
| 5333 | 35 | H | 4.45 | 1 |
| 5333 | 70 | H | 6.15 | 1 |
| 5597 | 15 | H | 6.12 | 1 |
| 5864 | 3 | H | -0.3 | |
| 6012 | 64 | H | 5.940 | 1 |
| 6238 | 42 | H | 6.028 | 1 |
| 6249 | 180 | H | 5.410 | 1 |
| 6249 | 279 | H | 6.130 | 1 |
| 6249 | 280 | H | 6.100 | 1 |
| 6275 | 139 | H | 6.22 | 1 |
| 6276 | 139 | H | 6.22 | 1 |
| 6408 | 18 | H | 6.16 | 1 |
| 6517 | 35 | H | 6.20 | 1 |
| 6966 | 17 | H | 5.83 | 1 |
| 6973 | 57 | H | 6.01 | |
| 6974 | 57 | H | 6.002 | |
| 7016 | 32 | H | 0.02 | |
| 7319 | 51 | H | 6.01 | 1 |
| 7370 | 37 | H | 6.176 | 1 |
| 10042 | 76 | H | 6.032 | 1 |
| 11106 | 81 | H | 6.136 | 1 |
| 11315 | 64 | H | 5.818 | 1 |
| 15120 | 124 | H | 5.29 | |
| 15193 | 15 | H | 6.07 | 1 |
| 15202 | 100 | H | 6.193 | 1 |
| 15233 | 90 | H | 5.958 | 1 |
| 15235 | 90 | H | 5.949 | 1 |
| 15395 | 124 | H | 5.241 | |
| 15396 | 124 | H | 5.24 | |
| 15685 | 6 | H | 1.000 | 1 |
| 15736 | 154 | H | 5.883 | 1 |
| 15765 | 49 | H | 6.197 | 1 |
| 15765 | 52 | H | 6.170 | 1 |
| 16390 | 86 | H | 6.02 | 1 |
| 16662 | 28 | H | 6.241 | 1 |
| 16674 | 106 | H | 6.135 | 1 |
| 16674 | 25 | H | 6.205 | 1 |
| 16674 | 34 | H | 6.227 | 1 |
| 16674 | 35 | H | 4.226 | 1 |
| 16780 | 67 | H | 6.13690 | 1 |
| 16842 | 55 | H | 5.405 | 1 |
| 17146 | 18 | H | 6.21 | 1 |
| 17403 | 88 | H | 6.248 | 1 |
| 17493 | 156 | H | 6.162 | 1 |
| 17747 | 129 | H | 5.122 | 1 |
| 17816 | 19 | H | 3.970 | 1 |
| 17935 | 168 | H | 6.187 | |
| 17938 | 21 | H | 6.2 | 1 |
| 17947 | 69 | H | 5.69 | 1 |
| 18267 | 51 | H | 6.032 | 1 |
| 18422 | 69 | H | 5.48 | 1 |
| 18601 | 153 | H | 1.596 | 1 |
| 18749 | 51 | H | 5.89 | 1 |
| 18787 | 55 | H | 5.393 | 1 |
| 18828 | 26 | H | 6.256 | 1 |
| 18953 | 131 | H | 6.2280 | 1 |
| 18990 | 49 | H | 5.2910 | 1 |
| 19047 | 88 | H | 6.110 | 1 |
| 19047 | 88 | H | 6.125 | 1 |
| 19147 | 53 | H | 5.918 | 1 |
| 19839 | 41 | H | 6.208 | 1 |
| 19904 | 13 | H | 6.186 | 1 |
| 19985 | 21 | H | 5.868 | 1 |
| 19985 | 56 | H | 5.942 | 1 |
| 25117 | 41 | H | 6.061 | 1 |
| 25117 | 41 | H | 6.062 | 1 |
| 25240 | 24 | H | 6.099 | 1 |
| 25420 | 18 | H | 6.188 | 1 |
| 25660 | 18 | H | 6.223 | 1 |
| 25761 | 102 | H | 5.928 | |
| 25874 | 55 | H | 5.404 | 1 |
| 26059 | 59 | H | 5.1600 | 1 |
| 26060 | 59 | H | 5.1600 | 1 |
| 26886 | 76 | H | 5.44 | |
| 27080 | 20 | H | 5.929 | 1 |
| 27160 | 275 | H | 6.070 | 1 |
| 27191 | 77 | H | 6.2270 | 1 |
| 27314 | 241 | H | 6.2073 | 1 |
| 27363 | 20 | H | 6.227 | 1 |
| 27363 | 54 | H | 6.120 | 1 |
| 27564 | 88 | H | 6.110 | 1 |
| 27851 | 189 | H | 6.23 | 1 |
| 27968 | 40 | H | 6.199 | 1 |
| 30375 | 242 | H | 5.783 | |
| 30528 | 68 | H | 6.048 | |
| 30928 | 20 | H | 6.177 | 1 |
| 34584 | 66 | H | 5.917 | 1 |
| 36630 | 80 | H | 6.241 | 1 |
| 50000 | 123 | H | 5.9997 | 1 |
| 50356 | 66 | H | 5.917 | 1 |
| 50357 | 272 | H | 5.920 | 1 |
| 50730 | 20 | H | 6.256 | 1 |
| 50730 | 54 | H | 6.081 | 1 |
| 50731 | 20 | H | 6.255 | 1 |
| 50731 | 54 | H | 6.086 | 1 |
| 50732 | 20 | H | 6.230 | 1 |
| 50732 | 54 | H | 6.022 | 1 |
| 51165 | 153 | H | 6.250 | 1 |
| 51165 | 153 | H | 6.257 | 1 |
| 51785 | 229 | H | 3.139 | 1 |
| 51785 | 229 | H | 3.177 | 1 |
| 52158 | 192 | H | 6.235 | 1 |
| 52158 | 192 | H | 6.245 | 1 |
| 52392 | 71 | H | 3.864 | 1 |
| 52587 | 77 | H | 6.233 | |
| 53501 | 56 | H | 5.219 | |
| 53502 | 56 | H | 5.191 | |
| 53503 | 56 | H | 5.204 | |
| 53504 | 56 | H | 5.187 | |