Average chemical shift: 7.229
Standard deviation: 0.438
| Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 4023 | 68 | HE21 | 8.75 | 2 |
| 4057 | 2 | HE21 | 8.60 | 1 |
| 4058 | 2 | HE21 | 8.67 | 1 |
| 4101 | 71 | HE21 | 9.14 | 2 |
| 4141 | 52 | HE21 | 8.82 | 1 |
| 4148 | 4 | HE21 | 8.951 | 1 |
| 4208 | 32 | HE21 | 8.62 | 1 |
| 4321 | 70 | HE21 | 8.55 | 1 |
| 4453 | 39 | HE21 | 9.13 | 2 |
| 4455 | 31 | HE21 | 8.78 | 2 |
| 4682 | 109 | HE21 | 9.14 | |
| 5011 | 91 | HE21 | 9.24 | 2 |
| 5048 | 98 | HE21 | 9.23 | 1 |
| 5054 | 41 | HE21 | 9.73 | 2 |
| 5054 | 44 | HE21 | 10.20 | 2 |
| 5075 | 31 | HE21 | 8.86 | 2 |
| 5075 | 47 | HE21 | 8.56 | 2 |
| 5148 | 34 | HE21 | 9.018 | 1 |
| 5172 | 47 | HE21 | 8.55 | 1 |
| 5269 | 47 | HE21 | 8.66 | 2 |
| 5319 | 98 | HE21 | 9.17 | 1 |
| 5343 | 45 | HE21 | 9.46 | 2 |
| 5344 | 45 | HE21 | 9.43 | 2 |
| 5349 | 48 | HE21 | 8.74 | 1 |
| 5554 | 94 | HE21 | 9.28 | 2 |
| 5578 | 97 | HE21 | 9.16 | |
| 5579 | 97 | HE21 | 9.18 | |
| 5583 | 33 | HE21 | 8.85 | 1 |
| 5598 | 54 | HE21 | 8.76 | |
| 5656 | 68 | HE21 | 8.75 | 2 |
| 5772 | 137 | HE21 | 9.47 | 1 |
| 5772 | 54 | HE21 | 8.9 | 1 |
| 5772 | 94 | HE21 | 9.76 | 1 |
| 5792 | 62 | HE21 | 8.55 | 2 |
| 5887 | 101 | HE21 | 11.08 | 2 |
| 5887 | 71 | HE21 | 8.68 | 2 |
| 5888 | 101 | HE21 | 11.11 | 2 |
| 5888 | 71 | HE21 | 8.86 | 2 |
| 6075 | 121 | HE21 | 8.98 | 1 |
| 6221 | 59 | HE21 | 8.854 | 2 |
| 6226 | 125 | HE21 | 8.77 | 2 |
| 6298 | 55 | HE21 | 9.001 | |
| 6406 | 6 | HE21 | 9.151 | 1 |
| 6563 | 62 | HE21 | 8.913 | 2 |
| 6603 | 92 | HE21 | 9.922 | 2 |
| 6782 | 52 | HE21 | 9.13 | 1 |
| 6804 | 55 | HE21 | 8.61 | 2 |
| 6806 | 55 | HE21 | 8.62 | 2 |
| 6884 | 3 | HE21 | 8.830 | 2 |
| 6888 | 45 | HE21 | 9.445 | 2 |
| 7172 | 28 | HE21 | 8.702 | 2 |
| 7286 | 165 | HE21 | 8.586 | 1 |
| 10083 | 99 | HE21 | 8.629 | 2 |
| 10261 | 25 | HE21 | 8.797 | 2 |
| 11012 | 182 | HE21 | 8.876 | 1 |
| 11029 | 64 | HE21 | 8.987 | 2 |
| 11104 | 70 | HE21 | 8.639 | 2 |
| 11146 | 93 | HE21 | 8.794 | 2 |
| 11203 | 27 | HE21 | 8.739 | 2 |
| 11295 | 13 | HE21 | 8.568 | 2 |
| 11298 | 31 | HE21 | 8.826 | 2 |
| 11304 | 53 | HE21 | 9.317 | 2 |
| 11431 | 50 | HE21 | 16.88 | |
| 11468 | 55 | HE21 | 8.657 | 2 |
| 15020 | 111 | HE21 | 9.210 | 2 |
| 15028 | 121 | HE21 | 8.799 | 2 |
| 15090 | 24 | HE21 | 8.906 | 2 |
| 15134 | 48 | HE21 | 9.51 | 1 |
| 15290 | 57 | HE21 | 8.74 | 2 |
| 15332 | 57 | HE21 | 8.790 | |
| 15355 | 57 | HE21 | 8.790 | |
| 15451 | 7 | HE21 | 8.547 | 1 |
| 15581 | 90 | HE21 | 9.444 | 2 |
| 15941 | 152 | HE21 | 23.893 | 2 |
| 16037 | 52 | HE21 | 8.631 | 2 |
| 16210 | 5 | HE21 | 8.693 | 2 |
| 16249 | 97 | HE21 | 8.92 | 1 |
| 16307 | 46 | HE21 | 8.8 | 2 |
| 16833 | 152 | HE21 | 9.158 | 2 |
| 16858 | 54 | HE21 | 8.590 | 2 |
| 16859 | 54 | HE21 | 8.590 | 2 |
| 16861 | 54 | HE21 | 8.580 | 2 |
| 16865 | 54 | HE21 | 8.580 | 2 |
| 16923 | 81 | HE21 | 8.547 | 2 |
| 16979 | 41 | HE21 | 9.179 | 2 |
| 17022 | 83 | HE21 | 9.102 | 2 |
| 17277 | 69 | HE21 | 9.278 | 1 |
| 17320 | 19 | HE21 | 8.792 | 2 |
| 17816 | 41 | HE21 | 8.689 | 1 |
| 18423 | 46 | HE21 | 9.11 | 2 |
| 18569 | 55 | HE21 | 8.734 | 1 |
| 18811 | 65 | HE21 | 9.712118 | 1 |
| 18887 | 41 | HE21 | 9.37 | |
| 19043 | 55 | HE21 | 8.862 | 1 |
| 19353 | 43 | HE21 | 8.663 | 1 |
| 19353 | 43 | HE21 | 8.669 | 1 |
| 19857 | 11 | HE21 | 8.704 | 1 |
| 25135 | 39 | HE21 | 9.270 | 2 |
| 25153 | 90 | HE21 | 9.014 | |
| 25331 | 2 | HE21 | 8.831 | 1 |
| 25332 | 2 | HE21 | 8.869 | 1 |
| 25401 | 33 | HE21 | 8.687 | |
| 25424 | 23 | HE21 | 9.038 | 2 |
| 25627 | 32 | HE21 | 8.624 | 1 |
| 25690 | 96 | HE21 | 9.1210 | 2 |
| 26001 | 53 | HE21 | 8.869 | 1 |
| 26853 | 74 | HE21 | 9.504 | 2 |
| 26854 | 97 | HE21 | 8.776 | 1 |
| 27498 | 22 | HE21 | 9.423 | |
| 30130 | 74 | HE21 | 9.519 | 2 |
| 30131 | 74 | HE21 | 9.513 | 2 |
| 30445 | 33 | HE21 | 8.687 | 2 |
| 30458 | 27 | HE21 | 9.237 | 1 |
| 30521 | 3 | HE21 | 8.818 | |
| 31040 | 51 | HE21 | 8.666 | |
| 34247 | 33 | HE21 | 9.025 | 1 |
| 34248 | 33 | HE21 | 9.192 | 1 |
| 34523 | 57 | HE21 | 8.706 | 1 |
| 34526 | 30 | HE21 | 9.343 | |
| 34528 | 30 | HE21 | 9.307 | |
| 34604 | 30 | HE21 | 9.337 | |
| 34605 | 30 | HE21 | 9.355 | |
| 34727 | 39 | HE21 | 8.765 | 2 |
| 34728 | 39 | HE21 | 8.691 | 2 |
| 34802 | 9 | HE21 | 8.611 | |
| 36050 | 2 | HE21 | 8.6350 | 1 |
| 36051 | 2 | HE21 | 8.8460 | 1 |
| 36052 | 2 | HE21 | 9.0770 | 1 |
| 36053 | 2 | HE21 | 8.6210 | 1 |
| 36054 | 2 | HE21 | 8.8830 | 1 |
| 50356 | 12 | HE21 | 8.562 | 1 |
| 51237 | 22 | HE21 | 9.430 | |
| High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
|---|---|---|---|---|
| 247 | 68 | HE21 | 5.74 | 2 |
| 326 | 68 | HE21 | 5.74 | 2 |
| 390 | 70 | HE21 | 5.77 | 2 |
| 759 | 81 | HE21 | 5.66 | 2 |
| 968 | 81 | HE21 | 5.66 | 2 |
| 970 | 81 | HE21 | 5.53 | 2 |
| 971 | 81 | HE21 | 5.45 | 2 |
| 4229 | 31 | HE21 | 5.632 | 2 |
| 4231 | 31 | HE21 | 5.632 | |
| 4268 | 31 | HE21 | 5.58 | 2 |
| 4279 | 55 | HE21 | 2.21 | 1 |
| 4284 | 135 | HE21 | 5.900 | 1 |
| 4291 | 16 | HE21 | 2.298 | 1 |
| 4682 | 129 | HE21 | 5.72 | |
| 4682 | 129 | HE21 | 5.78 | |
| 4682 | 5 | HE21 | 5.78 | |
| 4818 | 26 | HE21 | 5.85 | 1 |
| 4829 | 14 | HE21 | 3.727 | 2 |
| 4829 | 48 | HE21 | 5.436 | 2 |
| 4918 | 11 | HE21 | 5.21 | 2 |
| 4946 | 35 | HE21 | 5.91 | 2 |
| 4947 | 35 | HE21 | 5.85 | 2 |
| 5048 | 109 | HE21 | 3.85 | 2 |
| 5068 | 58 | HE21 | 5.23 | 2 |
| 5239 | 16 | HE21 | 5.65 | 2 |
| 5299 | 63 | HE21 | 4.850 | 2 |
| 5319 | 109 | HE21 | 3.69 | 1 |
| 5325 | 38 | HE21 | 2.532 | 2 |
| 5333 | 16 | HE21 | 4.86 | 2 |
| 5365 | 27 | HE21 | 3.913 | 2 |
| 5365 | 61 | HE21 | 5.515 | 2 |
| 5404 | 50 | HE21 | 5.812 | 2 |
| 5578 | 108 | HE21 | 3.78 | |
| 5579 | 108 | HE21 | 3.83 | |
| 5598 | 35 | HE21 | 5.62 | |
| 5803 | 58 | HE21 | 5.26 | 2 |
| 5804 | 58 | HE21 | 5.24 | 2 |
| 5833 | 111 | HE21 | 5.66 | 2 |
| 5878 | 115 | HE21 | 5.560 | 5 |
| 6093 | 46 | HE21 | 5.581 | 1 |
| 6137 | 25 | HE21 | 5.668 | 2 |
| 6159 | 138 | HE21 | 5.675 | 2 |
| 6226 | 35 | HE21 | 3.39 | 2 |
| 6299 | 15 | HE21 | 5.878 | 2 |
| 6699 | 67 | HE21 | 5.888 | 1 |
| 6950 | 26 | HE21 | 5.696 | 1 |
| 7025 | 9 | HE21 | 5.728 | 2 |
| 7097 | 43 | HE21 | 5.6686 | |
| 7156 | 6 | HE21 | 2.35 | |
| 7160 | 57 | HE21 | 5.23 | |
| 7206 | 15 | HE21 | 5.708 | 1 |
| 7206 | 18 | HE21 | 5.094 | 1 |
| 7221 | 35 | HE21 | 5.320 | 1 |
| 7224 | 54 | HE21 | 5.34 | 2 |
| 7320 | 26 | HE21 | 5.821 | 1 |
| 10106 | 19 | HE21 | 5.781 | 2 |
| 10122 | 40 | HE21 | 4.976 | 2 |
| 10125 | 92 | HE21 | 5.615 | 2 |
| 10149 | 21 | HE21 | 5.593 | 2 |
| 10238 | 173 | HE21 | 5.668 | 2 |
| 10239 | 182 | HE21 | 5.664 | 2 |
| 10249 | 101 | HE21 | 4.973 | 2 |
| 10278 | 17 | HE21 | 5.888 | 2 |
| 10336 | 75 | HE21 | 5.676 | 2 |
| 11062 | 148 | HE21 | 5.453 | 2 |
| 11084 | 109 | HE21 | 5.670 | 2 |
| 11085 | 19 | HE21 | 5.618 | 2 |
| 11268 | 81 | HE21 | 5.872 | 2 |
| 11283 | 43 | HE21 | 5.574 | 2 |
| 11388 | 28 | HE21 | 5.794 | 2 |
| 11389 | 25 | HE21 | 5.832 | 2 |
| 11456 | 62 | HE21 | 5.399 | 2 |
| 11499 | 80 | HE21 | 5.601 | 2 |
| 11578 | 19 | HE21 | 5.7680 | 2 |
| 11578 | 68 | HE21 | 5.4060 | 2 |
| 15139 | 78 | HE21 | 5.24 | 2 |
| 15591 | 48 | HE21 | 4.541 | 1 |
| 15611 | 98 | HE21 | 5.864 | 2 |
| 15685 | 116 | HE21 | 2.380 | 2 |
| 15707 | 14 | HE21 | 4.322 | 2 |
| 16018 | 25 | HE21 | 5.637 | 2 |
| 16018 | 87 | HE21 | 5.577 | 1 |
| 16030 | 96 | HE21 | 5.90 | 2 |
| 16084 | 14 | HE21 | 5.54 | 2 |
| 16163 | 60 | HE21 | 5.766 | 1 |
| 16336 | 54 | HE21 | 5.77 | 2 |
| 16340 | 68 | HE21 | 5.713000 | 2 |
| 16368 | 95 | HE21 | 5.37 | 2 |
| 16465 | 135 | HE21 | 5.90 | 1 |
| 16466 | 27 | HE21 | 5.861 | 2 |
| 16478 | 32 | HE21 | 5.792 | 2 |
| 16564 | 40 | HE21 | 5.82 | 2 |
| 16764 | 135 | HE21 | 5.82 | 1 |
| 16842 | 21 | HE21 | 1.103 | 2 |
| 16934 | 26 | HE21 | 5.521 | 2 |
| 17062 | 26 | HE21 | 5.909 | 1 |
| 17063 | 31 | HE21 | 5.839 | 1 |
| 17063 | 31 | HE21 | 5.880 | 1 |
| 17267 | 45 | HE21 | 5.404 | 1 |
| 17389 | 30 | HE21 | 5.647 | 2 |
| 17479 | 54 | HE21 | 5.891 | 1 |
| 17526 | 24 | HE21 | 5.811 | 1 |
| 17633 | 30 | HE21 | 5.877 | 2 |
| 17906 | 29 | HE21 | 5.338 | 2 |
| 17907 | 29 | HE21 | 5.338 | 2 |
| 17973 | 55 | HE21 | 4.67 | 2 |
| 17974 | 73 | HE21 | 5.483 | 2 |
| 17997 | 14 | HE21 | 5.908 | 2 |
| 18039 | 110 | HE21 | 5.337 | 1 |
| 18141 | 18 | HE21 | 5.32 | 2 |
| 18186 | 57 | HE21 | 4.656 | 1 |
| 18415 | 47 | HE21 | 4.836 | 1 |
| 18422 | 42 | HE21 | 5.62 | 2 |
| 18423 | 42 | HE21 | -1.96 | 2 |
| 18424 | 42 | HE21 | -3.41 | 2 |
| 18557 | 88 | HE21 | 5.817 | 1 |
| 18787 | 21 | HE21 | 2.041 | 1 |
| 18853 | 202 | HE21 | 5.783 | 1 |
| 19053 | 102 | HE21 | 5.452 | 1 |
| 19217 | 37 | HE21 | 5.245 | |
| 19256 | 133 | HE21 | 5.08743 | |
| 19413 | 75 | HE21 | 5.239 | 2 |
| 19866 | 41 | HE21 | 2.173 | |
| 19904 | 43 | HE21 | 2.540 | 1 |
| 19904 | 48 | HE21 | 2.483 | 1 |
| 19904 | 62 | HE21 | 2.360 | 1 |
| 19961 | 56 | HE21 | 2.387 | 1 |
| 19961 | 87 | HE21 | 2.387 | 1 |
| 19961 | 89 | HE21 | 2.387 | 1 |
| 25008 | 52 | HE21 | 5.651 | 2 |
| 25230 | 51 | HE21 | 5.354 | 2 |
| 25347 | 112 | HE21 | 5.520 | 2 |
| 25485 | 43 | HE21 | 5.834 | 1 |
| 25488 | 44 | HE21 | 5.825 | 1 |
| 25489 | 44 | HE21 | 5.818 | 1 |
| 25874 | 21 | HE21 | 1.089 | 2 |
| 27363 | 21 | HE21 | 4.727 | 2 |
| 30478 | 20 | HE21 | 5.631 | |
| 30858 | 2 | HE21 | 0.000 | |
| 31178 | 10 | HE21 | 5.900 | 1 |
| 34041 | 32 | HE21 | 5.506 | 1 |
| 34058 | 32 | HE21 | 5.553 | 2 |
| 34058 | 69 | HE21 | 5.372 | 2 |
| 34584 | 12 | HE21 | 5.526 | 1 |
| 36310 | 25 | HE21 | 3.867 | 2 |
| 36483 | 37 | HE21 | 5.562 | 1 |
| 36532 | 150 | HE21 | 5.888 | 2 |
| 50335 | 42 | HE21 | 4.78 | 2 |
| 50730 | 21 | HE21 | 1.068 | 2 |
| 50731 | 21 | HE21 | 1.039 | 2 |
| 50732 | 21 | HE21 | 1.026 | 2 |