Average chemical shift: 1.785
Standard deviation: 1.479
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
16660 | 11 | HE1 | 7.096 | 1 |
16660 | 11 | HE2 | 7.096 | 1 |
16660 | 11 | HE3 | 7.096 | 1 |
17811 | 1 | HE1 | 8.101 | 1 |
17811 | 1 | HE2 | 8.101 | 1 |
17811 | 1 | HE3 | 8.101 | 1 |
18333 | 1 | HE1 | 10.2000 | 1 |
18333 | 1 | HE2 | 10.2000 | 1 |
18333 | 1 | HE3 | 10.2000 | 1 |
18628 | 1 | HE1 | 8.381 | 1 |
18628 | 1 | HE2 | 8.381 | 1 |
18628 | 1 | HE3 | 8.381 | 1 |
19615 | 1 | HE1 | 7.555 | 1 |
19615 | 1 | HE2 | 7.555 | 1 |
19615 | 1 | HE3 | 7.555 | 1 |
19616 | 1 | HE1 | 7.628 | 1 |
19616 | 1 | HE2 | 7.628 | 1 |
19616 | 1 | HE3 | 7.628 | 1 |
20115 | 11 | HE1 | 7.096 | 1 |
20115 | 11 | HE2 | 7.096 | 1 |
20115 | 11 | HE3 | 7.096 | 1 |
20116 | 11 | HE1 | 7.073 | 1 |
20116 | 11 | HE2 | 7.073 | 1 |
20116 | 11 | HE3 | 7.073 | 1 |
20117 | 11 | HE1 | 7.131 | 1 |
20117 | 11 | HE2 | 7.131 | 1 |
20117 | 11 | HE3 | 7.131 | 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 | 85 | HE1 | -3.14 | 1 |
131 | 85 | HE2 | -3.14 | 1 |
131 | 85 | HE3 | -3.14 | 1 |
190 | 85 | HE1 | -22.3 | 1 |
190 | 85 | HE2 | -22.3 | 1 |
190 | 85 | HE3 | -22.3 | 1 |
227 | 85 | HE1 | -3.13 | 1 |
227 | 85 | HE2 | -3.13 | 1 |
227 | 85 | HE3 | -3.13 | 1 |
228 | 89 | HE1 | -3.2 | 1 |
228 | 89 | HE2 | -3.2 | 1 |
228 | 89 | HE3 | -3.2 | 1 |
229 | 86 | HE1 | -3.14 | 1 |
229 | 86 | HE2 | -3.14 | 1 |
229 | 86 | HE3 | -3.14 | 1 |
233 | 85 | HE1 | -23.6 | 1 |
233 | 85 | HE2 | -23.6 | 1 |
233 | 85 | HE3 | -23.6 | 1 |
234 | 89 | HE1 | -22.4 | 1 |
234 | 89 | HE2 | -22.4 | 1 |
234 | 89 | HE3 | -22.4 | 1 |
235 | 86 | HE1 | -23.9 | 1 |
235 | 86 | HE2 | -23.9 | 1 |
235 | 86 | HE3 | -23.9 | 1 |
274 | 80 | HE1 | -24.86 | 1 |
274 | 80 | HE2 | -24.86 | 1 |
274 | 80 | HE3 | -24.86 | 1 |
285 | 80 | HE1 | -24.7 | 1 |
285 | 80 | HE2 | -24.7 | 1 |
285 | 80 | HE3 | -24.7 | 1 |
286 | 80 | HE1 | -3.28 | 1 |
286 | 80 | HE2 | -3.28 | 1 |
286 | 80 | HE3 | -3.28 | 1 |
316 | 80 | HE1 | -3.28 | 1 |
316 | 80 | HE2 | -3.28 | 1 |
316 | 80 | HE3 | -3.28 | 1 |
317 | 80 | HE1 | -23.7 | 1 |
317 | 80 | HE2 | -23.7 | 1 |
317 | 80 | HE3 | -23.7 | 1 |
330 | 85 | HE1 | -23.4 | 1 |
330 | 85 | HE2 | -23.4 | 1 |
330 | 85 | HE3 | -23.4 | 1 |
331 | 85 | HE1 | -22.6 | 1 |
331 | 85 | HE2 | -22.6 | 1 |
331 | 85 | HE3 | -22.6 | 1 |
336 | 80 | HE1 | -3.28 | 1 |
336 | 80 | HE2 | -3.28 | 1 |
336 | 80 | HE3 | -3.28 | 1 |
337 | 56 | HE1 | -2.76 | 1 |
337 | 56 | HE2 | -2.76 | 1 |
337 | 56 | HE3 | -2.76 | 1 |
345 | 85 | HE1 | -3.19 | 1 |
345 | 85 | HE2 | -3.19 | 1 |
345 | 85 | HE3 | -3.19 | 1 |
346 | 85 | HE1 | -22.82 | 1 |
346 | 85 | HE2 | -22.82 | 1 |
346 | 85 | HE3 | -22.82 | 1 |
499 | 80 | HE1 | -24.5 | 1 |
499 | 80 | HE2 | -24.5 | 1 |
499 | 80 | HE3 | -24.5 | 1 |
500 | 81 | HE1 | -24.27 | 1 |
500 | 81 | HE2 | -24.27 | 1 |
500 | 81 | HE3 | -24.27 | 1 |
543 | 80 | HE1 | -21 | 1 |
543 | 80 | HE2 | -21 | 1 |
543 | 80 | HE3 | -21 | 1 |
545 | 80 | HE1 | -3.28 | 1 |
545 | 80 | HE2 | -3.28 | 1 |
545 | 80 | HE3 | -3.28 | 1 |
645 | 80 | HE1 | -23.79 | 1 |
645 | 80 | HE2 | -23.79 | 1 |
645 | 80 | HE3 | -23.79 | 1 |
759 | 61 | HE1 | -2.94 | 1 |
759 | 61 | HE2 | -2.94 | 1 |
759 | 61 | HE3 | -2.94 | 1 |
922 | 85 | HE1 | -3.19 | 1 |
922 | 85 | HE2 | -3.19 | 1 |
922 | 85 | HE3 | -3.19 | 1 |
923 | 85 | HE1 | -22.82 | 1 |
923 | 85 | HE2 | -22.82 | 1 |
923 | 85 | HE3 | -22.82 | 1 |
1058 | 80 | HE1 | -24.2 | 1 |
1058 | 80 | HE2 | -24.2 | 1 |
1058 | 80 | HE3 | -24.2 | 1 |
1095 | 85 | HE1 | -3.05 | 1 |
1095 | 85 | HE2 | -3.05 | 1 |
1095 | 85 | HE3 | -3.05 | 1 |
1147 | 58 | HE1 | -2.89 | 1 |
1147 | 58 | HE2 | -2.89 | 1 |
1147 | 58 | HE3 | -2.89 | 1 |
1148 | 58 | HE1 | -2.92 | 1 |
1148 | 58 | HE2 | -2.92 | 1 |
1148 | 58 | HE3 | -2.92 | 1 |
1149 | 54 | HE1 | -2.86 | 1 |
1149 | 54 | HE2 | -2.86 | 1 |
1149 | 54 | HE3 | -2.86 | 1 |
1150 | 62 | HE1 | -2.82 | 1 |
1150 | 62 | HE2 | -2.82 | 1 |
1150 | 62 | HE3 | -2.82 | 1 |
1170 | 80 | HE1 | -3.27 | 1 |
1170 | 80 | HE2 | -3.27 | 1 |
1170 | 80 | HE3 | -3.27 | 1 |
1171 | 80 | HE1 | -24.61 | 1 |
1171 | 80 | HE2 | -24.61 | 1 |
1171 | 80 | HE3 | -24.61 | 1 |
1192 | 84 | HE1 | -23.4 | 1 |
1192 | 84 | HE2 | -23.4 | 1 |
1192 | 84 | HE3 | -23.4 | 1 |
1194 | 85 | HE1 | -23.1 | 1 |
1194 | 85 | HE2 | -23.1 | 1 |
1194 | 85 | HE3 | -23.1 | 1 |
1333 | 61 | HE1 | -2.96 | 1 |
1333 | 61 | HE2 | -2.96 | 1 |
1333 | 61 | HE3 | -2.96 | 1 |
1646 | 96 | HE1 | -2.93 | 1 |
1646 | 96 | HE2 | -2.93 | 1 |
1646 | 96 | HE3 | -2.93 | 1 |
1647 | 96 | HE1 | -2.88 | 1 |
1647 | 96 | HE2 | -2.88 | 1 |
1647 | 96 | HE3 | -2.88 | 1 |
1719 | 85 | HE1 | -20.88 | 1 |
1719 | 85 | HE2 | -20.88 | 1 |
1719 | 85 | HE3 | -20.88 | 1 |
1720 | 85 | HE1 | -3.12 | 1 |
1720 | 85 | HE2 | -3.12 | 1 |
1720 | 85 | HE3 | -3.12 | 1 |
1734 | 61 | HE1 | -16.38 | 1 |
1734 | 61 | HE2 | -16.38 | 1 |
1734 | 61 | HE3 | -16.38 | 1 |
1736 | 80 | HE1 | -23.49 | 1 |
1736 | 80 | HE2 | -23.49 | 1 |
1736 | 80 | HE3 | -23.49 | 1 |
1775 | 80 | HE1 | -24.07 | 1 |
1775 | 80 | HE2 | -24.07 | 1 |
1775 | 80 | HE3 | -24.07 | 1 |
1777 | 80 | HE1 | -24.06 | 1 |
1777 | 80 | HE2 | -24.06 | 1 |
1777 | 80 | HE3 | -24.06 | 1 |
1779 | 80 | HE1 | -24.07 | 1 |
1779 | 80 | HE2 | -24.07 | 1 |
1779 | 80 | HE3 | -24.07 | 1 |
1781 | 80 | HE1 | -24.06 | 1 |
1781 | 80 | HE2 | -24.06 | 1 |
1781 | 80 | HE3 | -24.06 | 1 |
1783 | 80 | HE1 | -24.44 | 1 |
1783 | 80 | HE2 | -24.44 | 1 |
1783 | 80 | HE3 | -24.44 | 1 |
1785 | 80 | HE1 | -24.46 | 1 |
1785 | 80 | HE2 | -24.46 | 1 |
1785 | 80 | HE3 | -24.46 | 1 |
1787 | 80 | HE1 | -24.35 | 1 |
1787 | 80 | HE2 | -24.35 | 1 |
1787 | 80 | HE3 | -24.35 | 1 |
1789 | 80 | HE1 | -24.4 | 1 |
1789 | 80 | HE2 | -24.4 | 1 |
1789 | 80 | HE3 | -24.4 | 1 |
1791 | 84 | HE1 | -23.35 | 1 |
1791 | 84 | HE2 | -23.35 | 1 |
1791 | 84 | HE3 | -23.35 | 1 |
1793 | 84 | HE1 | -23.2 | 1 |
1793 | 84 | HE2 | -23.2 | 1 |
1793 | 84 | HE3 | -23.2 | 1 |
1795 | 84 | HE1 | -23.41 | 1 |
1795 | 84 | HE2 | -23.41 | 1 |
1795 | 84 | HE3 | -23.41 | 1 |
1797 | 84 | HE1 | -23.3 | 1 |
1797 | 84 | HE2 | -23.3 | 1 |
1797 | 84 | HE3 | -23.3 | 1 |
2366 | 80 | HE1 | -3.28 | 1 |
2366 | 80 | HE2 | -3.28 | 1 |
2366 | 80 | HE3 | -3.28 | 1 |
2367 | 80 | HE1 | -3.77 | 1 |
2367 | 80 | HE2 | -3.77 | 1 |
2367 | 80 | HE3 | -3.77 | 1 |
2368 | 80 | HE1 | -3.07 | 1 |
2368 | 80 | HE2 | -3.07 | 1 |
2368 | 80 | HE3 | -3.07 | 1 |
2488 | 89 | HE1 | -22.5 | 1 |
2488 | 89 | HE2 | -22.5 | 1 |
2488 | 89 | HE3 | -22.5 | 1 |
4189 | 80 | HE1 | -3.30 | 1 |
4189 | 80 | HE2 | -3.30 | 1 |
4189 | 80 | HE3 | -3.30 | 1 |
4471 | 78 | HE1 | -3.36 | 1 |
4471 | 78 | HE2 | -3.36 | 1 |
4471 | 78 | HE3 | -3.36 | 1 |
4578 | 61 | HE1 | -3.02 | 1 |
4578 | 61 | HE2 | -3.02 | 1 |
4578 | 61 | HE3 | -3.02 | 1 |
4777 | 78 | HE1 | -16.33 | 1 |
4777 | 78 | HE2 | -16.33 | 1 |
4777 | 78 | HE3 | -16.33 | 1 |
4801 | 106 | HE1 | -12.23 | 1 |
4801 | 106 | HE1 | -9.91 | 1 |
4801 | 106 | HE2 | -12.23 | 1 |
4801 | 106 | HE2 | -9.91 | 1 |
4801 | 106 | HE3 | -12.23 | 1 |
4801 | 106 | HE3 | -9.91 | 1 |
5086 | 59 | HE1 | -2.89 | 1 |
5086 | 59 | HE2 | -2.89 | 1 |
5086 | 59 | HE3 | -2.89 | 1 |
5172 | 50 | HE1 | -12.23 | 1 |
5172 | 50 | HE2 | -12.23 | 1 |
5172 | 50 | HE3 | -12.23 | 1 |
5304 | 56 | HE1 | -3.34 | 1 |
5304 | 56 | HE2 | -3.34 | 1 |
5304 | 56 | HE3 | -3.34 | 1 |
5372 | 80 | HE1 | -3.33 | 1 |
5372 | 80 | HE2 | -3.33 | 1 |
5372 | 80 | HE3 | -3.33 | 1 |
5406 | 80 | HE1 | -3.276 | 1 |
5406 | 80 | HE2 | -3.276 | 1 |
5406 | 80 | HE3 | -3.276 | 1 |
5597 | 50 | HE1 | -3.18 | 1 |
5597 | 50 | HE2 | -3.18 | 1 |
5597 | 50 | HE3 | -3.18 | 1 |
6966 | 71 | HE1 | -2.91 | 1 |
6966 | 71 | HE2 | -2.91 | 1 |
6966 | 71 | HE3 | -2.91 | 1 |
7296 | 61 | HE1 | -2.907 | 1 |
7296 | 61 | HE2 | -2.907 | 1 |
7296 | 61 | HE3 | -2.907 | 1 |
17146 | 79 | HE1 | -3.27 | 1 |
17146 | 79 | HE2 | -3.27 | 1 |
17146 | 79 | HE3 | -3.27 | 1 |
17904 | 85 | HE1 | -3.745 | |
17904 | 85 | HE2 | -3.745 | |
17904 | 85 | HE3 | -3.745 | |
25455 | 60 | HE1 | -2.859 | 1 |
25455 | 60 | HE2 | -2.859 | 1 |
25455 | 60 | HE3 | -2.859 | 1 |
25660 | 80 | HE1 | -3.429 | 1 |
25660 | 80 | HE2 | -3.429 | 1 |
25660 | 80 | HE3 | -3.429 | 1 |
25907 | 80 | HE1 | -3.278 | |
25907 | 80 | HE2 | -3.278 | |
25907 | 80 | HE3 | -3.278 | |
34064 | 55 | HE1 | -2.847 | 1 |
34064 | 55 | HE2 | -2.847 | 1 |
34064 | 55 | HE3 | -2.847 | 1 |