Average chemical shift: 6.918
Standard deviation: 0.371
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1700 | 13 | HD2 | 8.5 | 3 |
2352 | 64 | HD2 | 8.25 | 3 |
4435 | 69 | HD2 | 9.39 | 1 |
4628 | 94 | HD2 | 10.499 | |
5248 | 23 | HD2 | 8.199 | |
5625 | 65 | HD2 | 8.30 | 1 |
5625 | 66 | HD2 | 8.87 | 1 |
6634 | 65 | HD2 | 8.28 | 1 |
6634 | 66 | HD2 | 8.92 | 1 |
16070 | 20 | HD2 | 8.199 | |
16088 | 20 | HD2 | 8.199 | |
16443 | 65 | HD2 | 8.883 | 3 |
19600 | 12 | HD2 | 8.064 | |
19834 | 15 | HD2 | 8.607 | |
19834 | 6 | HD2 | 9.154 | |
19869 | 17 | HD2 | 8.538 | 3 |
27434 | 179 | HD2 | 8.6 | 1 |
27434 | 7 | HD2 | 9.4 | 1 |
30765 | 40 | HD2 | 8.388 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
131 | 51 | HD2 | 4.77 | 1 |
247 | 14 | HD2 | 4.43 | 1 |
345 | 51 | HD2 | 4.45 | 1 |
346 | 51 | HD2 | 3.81 | 1 |
759 | 27 | HD2 | 5.78 | 1 |
922 | 51 | HD2 | 4.45 | 3 |
923 | 102 | HD2 | 5.72 | 3 |
923 | 51 | HD2 | 3.81 | 3 |
1163 | 155 | HD2 | 2.78 | 1 |
1163 | 29 | HD2 | 3.01 | 1 |
1163 | 46 | HD2 | 3.16 | 1 |
1163 | 68 | HD2 | 3.09 | 1 |
1163 | 85 | HD2 | 3.24 | 1 |
1164 | 155 | HD2 | 2.77 | 1 |
1164 | 29 | HD2 | 3.03 | 1 |
1164 | 46 | HD2 | 3.2 | 1 |
1164 | 68 | HD2 | 3.13 | 1 |
1164 | 85 | HD2 | 3.25 | 1 |
1165 | 155 | HD2 | 2.8 | 1 |
1165 | 29 | HD2 | 3.04 | 1 |
1165 | 46 | HD2 | 3.22 | 1 |
1165 | 68 | HD2 | 3.13 | 1 |
1165 | 85 | HD2 | 3.24 | 1 |
1166 | 155 | HD2 | 2.92 | 1 |
1166 | 29 | HD2 | 3.08 | 1 |
1166 | 46 | HD2 | 3.24 | 1 |
1166 | 68 | HD2 | 3.14 | 1 |
1166 | 85 | HD2 | 3.24 | 1 |
1167 | 155 | HD2 | 2.79 | 1 |
1167 | 29 | HD2 | 3.09 | 1 |
1167 | 46 | HD2 | 3.29 | 1 |
1167 | 68 | HD2 | 3.14 | 1 |
1167 | 85 | HD2 | 3.24 | 1 |
1168 | 155 | HD2 | 2.79 | 1 |
1168 | 29 | HD2 | 3.03 | 1 |
1168 | 46 | HD2 | 3.2 | 1 |
1168 | 68 | HD2 | 3.12 | 1 |
1168 | 85 | HD2 | 3.24 | 1 |
1333 | 27 | HD2 | 5.71 | 1 |
1346 | 155 | HD2 | 2.78 | 1 |
1346 | 29 | HD2 | 3.14 | 1 |
1346 | 68 | HD2 | 3.15 | 1 |
1346 | 85 | HD2 | 3.23 | 1 |
1347 | 155 | HD2 | 2.79 | 1 |
1347 | 29 | HD2 | 3.14 | 1 |
1347 | 46 | HD2 | 3.25 | 1 |
1347 | 68 | HD2 | 3.15 | 1 |
1347 | 85 | HD2 | 3.23 | 1 |
1348 | 155 | HD2 | 2.78 | 1 |
1348 | 29 | HD2 | 3.15 | 1 |
1348 | 68 | HD2 | 3.15 | 1 |
1348 | 85 | HD2 | 3.23 | 1 |
1478 | 43 | HD2 | 5.55 | 1 |
1720 | 51 | HD2 | 4.45 | 1 |
1891 | 23 | HD2 | 5.8 | 1 |
2476 | 78 | HD2 | 5.63 | 1 |
4042 | 27 | HD2 | 5.42 | 1 |
4043 | 44 | HD2 | 5.48 | 1 |
4045 | 112 | HD2 | 5.60 | 1 |
4064 | 110 | HD2 | 5.68 | 1 |
4079 | 15 | HD2 | 5.74 | 1 |
4189 | 67 | HD2 | 0.94 | 1 |
4279 | 46 | HD2 | 5.65 | 1 |
4291 | 43 | HD2 | 5.533 | 1 |
4360 | 100 | HD2 | 5.57 | 1 |
4377 | 28 | HD2 | 5.57 | 1 |
4436 | 46 | HD2 | 5.42 | 1 |
4793 | 97 | HD2 | 5.68 | 1 |
4797 | 110 | HD2 | 5.56 | 1 |
4879 | 129 | HD2 | 5.52 | 1 |
4973 | 15 | HD2 | 5.49 | 1 |
5296 | 55 | HD2 | 4.20 | |
5299 | 148 | HD2 | 5.450 | 1 |
5333 | 43 | HD2 | 5.62 | 1 |
5360 | 16 | HD2 | 5.56 | |
5372 | 67 | HD2 | 0.92 | 1 |
5406 | 46 | HD2 | 4.832 | 3 |
5524 | 65 | HD2 | 5.420 | 1 |
5524 | 85 | HD2 | 5.430 | 1 |
5625 | 43 | HD2 | 5.54 | 1 |
5756 | 22 | HD2 | 5.66 | 1 |
5756 | 3 | HD2 | 5.59 | 1 |
5884 | 96 | HD2 | 5.520 | 1 |
5887 | 18 | HD2 | 5.76 | 1 |
5929 | 53 | HD2 | 5.73 | 1 |
6222 | 45 | HD2 | 5.49 | 1 |
6280 | 45 | HD2 | 5.775 | 1 |
6578 | 80 | HD2 | 5.6900 | 1 |
6634 | 43 | HD2 | 5.54 | 1 |
6731 | 43 | HD2 | 5.679 | 1 |
6760 | 50 | HD2 | 5.34 | 1 |
6769 | 52 | HD2 | 5.726 | 1 |
6782 | 50 | HD2 | 5.56 | 1 |
6794 | 87 | HD2 | 5.740 | 1 |
6976 | 40 | HD2 | 5.124 | 1 |
7004 | 3 | HD2 | 5.40 | 1 |
10041 | 48 | HD2 | 5.564 | 1 |
10114 | 10 | HD2 | 5.796 | 1 |
10120 | 81 | HD2 | 5.283 | 1 |
10131 | 36 | HD2 | 5.740 | 1 |
10136 | 44 | HD2 | 5.715 | 1 |
10138 | 34 | HD2 | 5.482 | 1 |
10149 | 25 | HD2 | 5.762 | 1 |
10241 | 53 | HD2 | 5.627 | 1 |
10253 | 28 | HD2 | 5.542 | 1 |
10272 | 45 | HD2 | 5.543 | 1 |
10280 | 17 | HD2 | 5.543 | 1 |
10312 | 28 | HD2 | 5.538 | 1 |
10315 | 39 | HD2 | 5.476 | 1 |
11032 | 56 | HD2 | 5.646 | 1 |
11033 | 58 | HD2 | 5.596 | 1 |
11126 | 107 | HD2 | 5.285 | 1 |
11142 | 108 | HD2 | 5.407 | 1 |
11142 | 23 | HD2 | 5.719 | 1 |
11143 | 25 | HD2 | 5.599 | 1 |
11147 | 23 | HD2 | 5.768 | 1 |
11148 | 76 | HD2 | 5.740 | 1 |
11194 | 46 | HD2 | 5.709 | 1 |
11244 | 52 | HD2 | 5.063 | 1 |
11322 | 49 | HD2 | 5.032 | 1 |
11329 | 52 | HD2 | 4.974 | 1 |
11388 | 24 | HD2 | 5.683 | 1 |
11496 | 41 | HD2 | 5.653 | 1 |
11501 | 31 | HD2 | 5.329 | 3 |
15189 | 48 | HD2 | 5.367 | 1 |
15211 | 17 | HD2 | 5.65 | 3 |
15603 | 112 | HD2 | 5.625 | 3 |
15740 | 29 | HD2 | 5.794 | 3 |
15778 | 78 | HD2 | 5.268 | 3 |
15789 | 54 | HD2 | 5.452 | 3 |
15808 | 106 | HD2 | 5.450 | 3 |
15927 | 141 | HD2 | 5.638 | 1 |
16164 | 61 | HD2 | 5.160 | 1 |
16517 | 117 | HD2 | 5.77 | 3 |
16572 | 55 | HD2 | 5.76 | 3 |
16610 | 6 | HD2 | 5.648 | 1 |
16630 | 135 | HD2 | 5.773 | 3 |
16674 | 43 | HD2 | 5.387 | 3 |
16805 | 74 | HD2 | 5.638 | 2 |
16909 | 45 | HD2 | 5.606 | 1 |
17148 | 111 | HD2 | 5.669 | 3 |
17239 | 47 | HD2 | 5.467 | 3 |
17250 | 216 | HD2 | 5.679 | 3 |
17393 | 49 | HD2 | 5.5403 | 3 |
17418 | 98 | HD2 | 5.747 | |
17611 | 20 | HD2 | 5.62 | 3 |
17685 | 106 | HD2 | 5.735 | 3 |
17816 | 63 | HD2 | 4.684 | 3 |
17995 | 74 | HD2 | 5.726 | 3 |
18032 | 74 | HD2 | 5.63 | 3 |
18087 | 74 | HD2 | 5.578 | 1 |
18165 | 45 | HD2 | 5.605 | 3 |
18167 | 17 | HD2 | 2.576 | 1 |
18231 | 74 | HD2 | 5.569 | 1 |
18238 | 80 | HD2 | 5.762 | 3 |
18244 | 63 | HD2 | 5.6200 | 3 |
18263 | 74 | HD2 | 5.63 | 3 |
18277 | 53 | HD2 | 5.580 | 3 |
18390 | 45 | HD2 | 5.677 | 3 |
18415 | 106 | HD2 | 5.801 | 3 |
18565 | 24 | HD2 | 4.027 | |
18569 | 16 | HD2 | 5.447 | 3 |
18853 | 132 | HD2 | 5.725 | 3 |
18900 | 72 | HD2 | 5.753 | 3 |
18982 | 11 | HD2 | 5.660 | 1 |
19012 | 61 | HD2 | 5.720 | 3 |
19282 | 70 | HD2 | 5.700 | |
19458 | 96 | HD2 | 0.5522 | |
19523 | 64 | HD2 | 5.616 | |
19624 | 128 | HD2 | 5.502 | 1 |
19666 | 30 | HD2 | 5.519 | 1 |
19688 | 20 | HD2 | 5.641 | 1 |
19766 | 89 | HD2 | 5.651 | 3 |
19826 | 129 | HD2 | 5.520 | 3 |
25439 | 69 | HD2 | 5.745 | 1 |
25443 | 89 | HD2 | 5.578 | 3 |
25627 | 42 | HD2 | 5.742 | 1 |
25766 | 169 | HD2 | 5.183 | 1 |
25802 | 74 | HD2 | 5.715 | 1 |
25907 | 46 | HD2 | 4.845 | |
25908 | 46 | HD2 | 5.556 | |
25953 | 43 | HD2 | 5.689 | |
25987 | 78 | HD2 | 5.802 | 1 |
26016 | 9 | HD2 | 5.522 | 3 |
26963 | 111 | HD2 | 5.591 | 1 |
27313 | 48 | HD2 | 5.399 | 3 |
30206 | 43 | HD2 | 5.2300 | 3 |
30491 | 76 | HD2 | 5.732 | 1 |
30543 | 76 | HD2 | 5.752 | 1 |
30569 | 122 | HD2 | 5.632 | 1 |
34042 | 107 | HD2 | 5.656 | |
34061 | 46 | HD2 | 5.701 | 1 |
34379 | 129 | HD2 | 5.495 | 1 |
34452 | 64 | HD2 | 5.58 | 1 |
34511 | 47 | HD2 | 5.430 | |
34730 | 12 | HD2 | 5.732 | |
36163 | 45 | HD2 | 5.0770 | 3 |
50167 | 23 | HD2 | 5.784 | 1 |
50167 | 4 | HD2 | 5.647 | 1 |
51662 | 66 | HD2 | 5.650 | 1 |