Average chemical shift: 7.948
Standard deviation: 0.562
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
292 | 93 | HE1 | 19.2 | 1 |
346 | 23 | HE1 | 24.24 | 1 |
499 | 18 | HE1 | 24.3 | 1 |
500 | 19 | HE1 | 23.19 | 1 |
505 | 118 | HE1 | 39 | 1 |
505 | 44 | HE1 | 25.3 | 1 |
505 | 46 | HE1 | 19.6 | 1 |
506 | 46 | HE1 | 10.5 | 1 |
811 | 120 | HE1 | 39.1 | 1 |
811 | 46 | HE1 | 25.8 | 1 |
811 | 48 | HE1 | 19.8 | 1 |
812 | 120 | HE1 | 37.9 | 1 |
812 | 46 | HE1 | 26.7 | 1 |
812 | 48 | HE1 | 20.3 | 1 |
813 | 120 | HE1 | 38.7 | 1 |
813 | 46 | HE1 | 25.5 | 1 |
813 | 48 | HE1 | 21.4 | 1 |
814 | 120 | HE1 | 43.8 | 1 |
814 | 46 | HE1 | 20.2 | 1 |
814 | 48 | HE1 | 22.4 | 1 |
923 | 23 | HE1 | 24.24 | 1 |
1171 | 18 | HE1 | 24.24 | 1 |
1486 | 120 | HE1 | 38.9 | 1 |
1486 | 48 | HE1 | 20.1 | 1 |
1487 | 120 | HE1 | 38.9 | 1 |
1487 | 48 | HE1 | 20 | 1 |
1719 | 23 | HE1 | 23.39 | 1 |
1839 | 52 | HE1 | 14 | 1 |
1841 | 52 | HE1 | 13.9 | 1 |
1889 | 52 | HE1 | 14 | 1 |
2038 | 48 | HE1 | 13.59 | 1 |
5809 | 87 | HE1 | 18 | 1 |
5848 | 43 | HE1 | 10.036 | |
6230 | 92 | HE1 | 20.4 | 1 |
6230 | 92 | HE1 | 20.68 | 1 |
6362 | 18 | HE1 | 10.259 | 1 |
16188 | 54 | HE1 | 9.783 | 1 |
16443 | 76 | HE1 | 10.421 | 1 |
16929 | 75 | HE1 | 10.8810 | 1 |
18094 | 78 | HE1 | 10.199 | 1 |
19047 | 86 | HE1 | 9.966 | 1 |
19048 | 86 | HE1 | 10.501 | 1 |
25040 | 191 | HE1 | 134.811 | 1 |
30399 | 49 | HE1 | 10.772 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
25 | 87 | HE1 | 1.45 | 1 |
40 | 93 | HE1 | 1.66 | 1 |
131 | 23 | HE1 | .52 | 1 |
161 | 63 | HE1 | 5.74 | 1 |
161 | 97 | HE1 | 1.4 | 1 |
180 | 63 | HE1 | 5.77 | 1 |
180 | 97 | HE1 | 1.39 | 1 |
181 | 63 | HE1 | 5.42 | 1 |
181 | 97 | HE1 | 1.44 | 1 |
182 | 61 | HE1 | 5.25 | 1 |
182 | 92 | HE1 | 1.32 | 1 |
227 | 23 | HE1 | .56 | 1 |
228 | 27 | HE1 | .54 | 1 |
229 | 24 | HE1 | .49 | 1 |
274 | 18 | HE1 | -25.6 | 1 |
285 | 18 | HE1 | -25.6 | 1 |
286 | 18 | HE1 | .52 | 1 |
294 | 61 | HE1 | .78 | 1 |
316 | 18 | HE1 | .51 | 1 |
317 | 18 | HE1 | -24.3 | 1 |
330 | 23 | HE1 | -26.5 | 1 |
331 | 23 | HE1 | -26.6 | 1 |
336 | 18 | HE1 | .5 | 1 |
337 | 14 | HE1 | 1.05 | 1 |
345 | 23 | HE1 | .52 | 1 |
759 | 16 | HE1 | .63 | 1 |
922 | 23 | HE1 | .52 | 1 |
956 | 18 | HE1 | -23.5 | 1 |
1053 | 146 | HE1 | 3.21 | 1 |
1144 | 63 | HE1 | 5.77 | 1 |
1144 | 97 | HE1 | 1.39 | 1 |
1145 | 63 | HE1 | 5.42 | 1 |
1145 | 97 | HE1 | 1.44 | 1 |
1170 | 18 | HE1 | .13 | 1 |
1192 | 22 | HE1 | -26.5 | 1 |
1194 | 23 | HE1 | -26.5 | 1 |
1210 | 46 | HE1 | 5.57 | 1 |
1333 | 16 | HE1 | .66 | 1 |
1571 | 102 | HE1 | -21.2 | 1 |
1720 | 23 | HE1 | .52 | 1 |
1791 | 22 | HE1 | -26.43 | 1 |
1793 | 22 | HE1 | -26.11 | 1 |
1795 | 22 | HE1 | -26.58 | 1 |
1797 | 22 | HE1 | -26.37 | 1 |
1839 | 175 | HE1 | -22 | 1 |
1921 | 42 | HE1 | 6.25 | 1 |
2038 | 177 | HE1 | -8.8 | 1 |
2640 | 119 | HE1 | -9.5 | 1 |
2641 | 119 | HE1 | -18.5 | 1 |
2642 | 119 | HE1 | -19.2 | 1 |
2868 | 87 | HE1 | 1.45 | 1 |
3442 | 87 | HE1 | 2.02 | 1 |
4038 | 90 | HE1 | 1.51 | 1 |
4062 | 94 | HE1 | 1.63 | 1 |
4189 | 18 | HE1 | 0.41 | 1 |
4208 | 14 | HE1 | 0.99 | 1 |
4291 | 106 | HE1 | 2.112 | 1 |
4291 | 22 | HE1 | 1.523 | 1 |
4291 | 25 | HE1 | 1.627 | 1 |
4291 | 34 | HE1 | 1.208 | 1 |
4291 | 35 | HE1 | 0.998 | 1 |
4291 | 52 | HE1 | 1.232 | 1 |
4291 | 70 | HE1 | 0.745 | 1 |
4291 | 83 | HE1 | 1.438 | 1 |
4436 | 110 | HE1 | 1.53 | 1 |
4436 | 26 | HE1 | 1.87 | 1 |
4436 | 29 | HE1 | 1.81 | 1 |
4436 | 38 | HE1 | 1.32 | 1 |
4436 | 39 | HE1 | 1.71 | 1 |
4436 | 55 | HE1 | 0.80 | 1 |
4436 | 73 | HE1 | 0.32 | 1 |
4436 | 87 | HE1 | 1.40 | 1 |
4458 | 12 | HE1 | 5.81 | 2 |
4458 | 75 | HE1 | 5.75 | 2 |
4459 | 12 | HE1 | 5.90 | 1 |
4459 | 75 | HE1 | 5.98 | 2 |
4471 | 18 | HE1 | 0.53 | 1 |
4578 | 16 | HE1 | 0.66 | 1 |
4602 | 63 | HE1 | -14.0 | 1 |
4640 | 29 | HE1 | 6.08 | 1 |
4743 | 53 | HE1 | 0.72 | 1 |
4743 | 66 | HE1 | 1.01 | 1 |
4761 | 122 | HE1 | 0.96 | 1 |
4777 | 18 | HE1 | -24.30 | 1 |
4800 | 69 | HE1 | 0.57 | 1 |
4801 | 69 | HE1 | -11.30 | 1 |
4801 | 69 | HE1 | -12.23 | 1 |
4803 | 37 | HE1 | 1.32 | 5 |
4803 | 61 | HE1 | 0.82 | 5 |
4804 | 37 | HE1 | 1.31 | 5 |
4804 | 61 | HE1 | 0.82 | 5 |
4808 | 37 | HE1 | 1.29 | 5 |
4808 | 61 | HE1 | 0.81 | 5 |
4809 | 37 | HE1 | 1.29 | 5 |
4809 | 61 | HE1 | 0.81 | 5 |
4960 | 16 | HE1 | 0.69 | 1 |
4960 | 61 | HE1 | 4.16 | 1 |
5011 | 34 | HE1 | 5.81 | 1 |
5026 | 18 | HE1 | -11.95 | |
5086 | 14 | HE1 | 0.63 | 1 |
5088 | 15 | HE1 | 0.64 | 1 |
5091 | 39 | HE1 | 1.240 | 1 |
5091 | 63 | HE1 | 1.000 | 1 |
5126 | 102 | HE1 | 6.030 | |
5172 | 15 | HE1 | -20.25 | 1 |
5269 | 46 | HE1 | -11.60 | 1 |
5304 | 18 | HE1 | 0.00 | 1 |
5333 | 106 | HE1 | 2.07 | 1 |
5333 | 22 | HE1 | 1.43 | 1 |
5333 | 25 | HE1 | 1.65 | 1 |
5333 | 34 | HE1 | 1.14 | 1 |
5333 | 35 | HE1 | 0.79 | 1 |
5333 | 52 | HE1 | 1.12 | 1 |
5333 | 70 | HE1 | 0.57 | 1 |
5333 | 83 | HE1 | 1.32 | 1 |
5352 | 162 | HE1 | 5.48 | |
5372 | 18 | HE1 | 0.45 | 1 |
5406 | 18 | HE1 | 0.514 | 1 |
5466 | 10 | HE1 | -10 | |
5597 | 15 | HE1 | 0.50 | 1 |
5798 | 25 | HE1 | 6.10 | 1 |
5809 | 58 | HE1 | 0.19 | 1 |
5809 | 58 | HE1 | 0.75 | 1 |
5809 | 87 | HE1 | -2.2 | 1 |
5881 | 18 | HE1 | 6.24 | 1 |
6108 | 42 | HE1 | 6.03 | 1 |
6230 | 63 | HE1 | 0.41 | 1 |
6230 | 63 | HE1 | 0.51 | 1 |
6514 | 61 | HE1 | 5.90 | 1 |
6612 | 73 | HE1 | 5.62 | |
6760 | 40 | HE1 | 5.32 | 1 |
6760 | 67 | HE1 | 5.32 | 1 |
6966 | 17 | HE1 | 0.81 | 1 |
7125 | 87 | HE1 | 1.436 | 1 |
7125 | 92 | HE1 | 1.405 | 1 |
7286 | 151 | HE1 | 5.464 | 1 |
7296 | 16 | HE1 | 0.79 | 1 |
10028 | 33 | HE1 | 5.198 | 1 |
10164 | 103 | HE1 | 5.725 | 1 |
10281 | 30 | HE1 | 5.654 | 1 |
10327 | 99 | HE1 | 6.191 | 1 |
11113 | 83 | HE1 | 5.604 | 1 |
15112 | 73 | HE1 | 5.973 | 1 |
15512 | 54 | HE1 | 5.834 | 1 |
15593 | 114 | HE1 | 5.767 | 1 |
15661 | 77 | HE1 | 5.296 | 1 |
15765 | 19 | HE1 | 0.867 | 1 |
15765 | 39 | HE1 | 1.553 | 1 |
15765 | 49 | HE1 | 1.225 | 1 |
15765 | 52 | HE1 | 1.323 | 1 |
15765 | 62 | HE1 | 1.322 | 1 |
15765 | 65 | HE1 | 1.160 | 1 |
15765 | 79 | HE1 | 1.221 | 1 |
15765 | 9 | HE1 | 1.309 | 1 |
15928 | 16 | HE1 | 5.149 | 3 |
16063 | 39 | HE1 | 6.2500 | 1 |
16674 | 106 | HE1 | 1.266 | 1 |
16674 | 22 | HE1 | 1.580 | 1 |
16674 | 25 | HE1 | 1.074 | 1 |
16674 | 35 | HE1 | 0.904 | 1 |
16674 | 52 | HE1 | 0.985 | 1 |
16674 | 69 | HE1 | 0.986 | 1 |
16674 | 83 | HE1 | 1.629 | 1 |
16842 | 17 | HE1 | 1.227 | 1 |
16842 | 20 | HE1 | 1.165 | 1 |
16842 | 31 | HE1 | 1.394 | 1 |
16842 | 47 | HE1 | 1.498 | 1 |
16842 | 55 | HE1 | 1.590 | 1 |
16842 | 69 | HE1 | 0.912 | 1 |
16970 | 33 | HE1 | 6.085 | 1 |
17146 | 18 | HE1 | 0.43 | 1 |
17207 | 84 | HE1 | 5.484 | 1 |
17249 | 144 | HE1 | 6.05 | 1 |
17403 | 88 | HE1 | 5.889 | 1 |
17421 | 105 | HE1 | 5.757 | 1 |
17598 | 54 | HE1 | 0.418 | 1 |
17653 | 59 | HE1 | 5.54 | 1 |
17882 | 50 | HE1 | 0.077 | 1 |
17903 | 23 | HE1 | -11.98 | |
17949 | 66 | HE1 | 0.075 | 1 |
18671 | 18 | HE1 | 6.193 | 1 |
18671 | 32 | HE1 | 6.189 | 1 |
18706 | 19 | HE1 | 4.920 | 1 |
18728 | 78 | HE1 | 5.686 | 1 |
18787 | 17 | HE1 | 1.173 | 1 |
18787 | 20 | HE1 | 1.096 | 1 |
18787 | 31 | HE1 | 1.310 | 1 |
18787 | 55 | HE1 | 1.506 | 1 |
18787 | 69 | HE1 | 0.942 | 1 |
18805 | 32 | HE1 | 5.822 | 1 |
19101 | 43 | HE1 | 6.1937 | 1 |
19235 | 101 | HE1 | 6.069 | 1 |
19235 | 71 | HE1 | 5.259 | 1 |
19847 | 20 | HE1 | 6.239278 | |
19985 | 18 | HE1 | 1.501 | 1 |
19985 | 21 | HE1 | 1.164 | 1 |
19985 | 32 | HE1 | 1.536 | 1 |
19985 | 49 | HE1 | 1.156 | 1 |
19985 | 56 | HE1 | 1.420 | 1 |
19985 | 70 | HE1 | 0.742 | 1 |
25153 | 105 | HE1 | 6.207 | |
25437 | 133 | HE1 | 6.181 | |
25453 | 148 | HE1 | 6.147 | 1 |
25455 | 20 | HE1 | 1.131 | 1 |
25660 | 18 | HE1 | 0.381 | 1 |
25874 | 17 | HE1 | 1.162 | 1 |
25874 | 20 | HE1 | 1.194 | 1 |
25874 | 31 | HE1 | 1.399 | 1 |
25874 | 47 | HE1 | 1.075 | 1 |
25874 | 55 | HE1 | 1.565 | 1 |
25874 | 69 | HE1 | 0.871 | 1 |
25907 | 18 | HE1 | 0.506 | |
26582 | 77 | HE1 | 6.092 | 1 |
26753 | 64 | HE1 | 4.978 | 1 |
27284 | 82 | HE1 | 5.063 | |
27363 | 17 | HE1 | 1.357 | 1 |
27363 | 20 | HE1 | 1.303 | 1 |
27363 | 31 | HE1 | 1.431 | 1 |
27363 | 47 | HE1 | 1.192 | 1 |
27363 | 54 | HE1 | 1.619 | 1 |
27363 | 68 | HE1 | 0.896 | 1 |
30186 | 46 | HE1 | 2.637 | 1 |
30375 | 234 | HE1 | 6.108 | |
34064 | 15 | HE1 | 1.150 | 1 |
34817 | 133 | HE1 | 6.061 | 1 |
36075 | 56 | HE1 | 6.25 | 1 |
50517 | 5 | HE1 | 6.154 | 1 |
51662 | 36 | HE1 | 5.916 | 1 |