Average chemical shift: 7.218
Standard deviation: 0.504
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 |
4101 | 71 | HE21 | 9.14 | 2 |
4141 | 52 | HE21 | 8.82 | 1 |
4148 | 4 | HE21 | 8.951 | 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 |
5148 | 34 | HE21 | 9.018 | 1 |
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 |
5887 | 101 | HE21 | 11.08 | 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 |
6884 | 3 | HE21 | 8.830 | 2 |
6888 | 45 | HE21 | 9.445 | 2 |
10261 | 25 | HE21 | 8.797 | 2 |
11012 | 182 | HE21 | 8.876 | 1 |
11029 | 64 | HE21 | 8.987 | 2 |
11146 | 93 | HE21 | 8.794 | 2 |
11203 | 27 | HE21 | 8.739 | 2 |
11298 | 31 | HE21 | 8.826 | 2 |
11304 | 53 | HE21 | 9.317 | 2 |
11431 | 50 | HE21 | 16.88 | |
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 | |
15581 | 90 | HE21 | 9.444 | 2 |
15941 | 152 | HE21 | 23.893 | 2 |
16249 | 97 | HE21 | 8.92 | 1 |
16307 | 46 | HE21 | 8.8 | 2 |
16833 | 152 | HE21 | 9.158 | 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 |
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 |
25135 | 39 | HE21 | 9.270 | 2 |
25153 | 90 | HE21 | 9.014 | |
25331 | 2 | HE21 | 8.831 | 1 |
25332 | 2 | HE21 | 8.869 | 1 |
25424 | 23 | HE21 | 9.038 | 2 |
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 |
30458 | 27 | HE21 | 9.237 | 1 |
30521 | 3 | HE21 | 8.818 | |
34247 | 33 | HE21 | 9.025 | 1 |
34248 | 33 | HE21 | 9.192 | 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 |
36051 | 2 | HE21 | 8.8460 | 1 |
36052 | 2 | HE21 | 9.0770 | 1 |
36054 | 2 | HE21 | 8.8830 | 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 |
---|---|---|---|---|
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 |
4291 | 16 | HE21 | 2.298 | 1 |
4829 | 14 | HE21 | 3.727 | 2 |
4829 | 48 | HE21 | 5.436 | 2 |
4918 | 11 | HE21 | 5.21 | 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 |
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 |
6950 | 26 | HE21 | 5.696 | 1 |
7097 | 43 | HE21 | 5.6686 | |
7156 | 6 | HE21 | 2.35 | |
7160 | 57 | HE21 | 5.23 | |
7206 | 18 | HE21 | 5.094 | 1 |
7221 | 35 | HE21 | 5.320 | 1 |
7224 | 54 | HE21 | 5.34 | 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 |
10336 | 75 | HE21 | 5.676 | 2 |
11062 | 148 | HE21 | 5.453 | 2 |
11084 | 109 | HE21 | 5.670 | 2 |
11085 | 19 | HE21 | 5.618 | 2 |
11283 | 43 | HE21 | 5.574 | 2 |
11456 | 62 | HE21 | 5.399 | 2 |
11499 | 80 | HE21 | 5.601 | 2 |
11578 | 68 | HE21 | 5.4060 | 2 |
15139 | 78 | HE21 | 5.24 | 2 |
15591 | 48 | HE21 | 4.541 | 1 |
15685 | 116 | HE21 | 2.380 | 2 |
15707 | 14 | HE21 | 4.322 | 2 |
16018 | 25 | HE21 | 5.637 | 2 |
16018 | 87 | HE21 | 5.577 | 1 |
16084 | 14 | HE21 | 5.54 | 2 |
16368 | 95 | HE21 | 5.37 | 2 |
16842 | 21 | HE21 | 1.103 | 2 |
16934 | 26 | HE21 | 5.521 | 2 |
17267 | 45 | HE21 | 5.404 | 1 |
17389 | 30 | HE21 | 5.647 | 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 |
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 |
18787 | 21 | HE21 | 2.041 | 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 |
25874 | 21 | HE21 | 1.089 | 2 |
27363 | 21 | HE21 | 4.727 | 2 |
30478 | 20 | HE21 | 5.631 | |
30858 | 2 | HE21 | 0.000 | |
34041 | 32 | HE21 | 5.506 | 1 |
34058 | 32 | HE21 | 5.553 | 2 |
34058 | 69 | HE21 | 5.372 | 2 |
34584 | 12 | HE21 | 5.526 | 1 |
50335 | 42 | HE21 | 4.78 | 2 |
50730 | 21 | HE21 | 1.068 | 2 |
50731 | 21 | HE21 | 1.039 | 2 |
50732 | 21 | HE21 | 1.026 | 2 |