Average chemical shift: 1.996
Standard deviation: 0.507
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
274 | 80 | HB3 | 12.85 | 1 |
285 | 80 | HB3 | 12.85 | 1 |
317 | 80 | HB3 | 12.1 | 2 |
923 | 85 | HB3 | 12.94 | 1 |
1171 | 80 | HB3 | 12.28 | 1 |
1719 | 85 | HB3 | 12.4 | 1 |
1734 | 61 | HB3 | 5.26 | 2 |
1736 | 80 | HB3 | 11.97 | 2 |
2488 | 89 | HB3 | 4.96 | 2 |
4777 | 78 | HB3 | 11.26 | 1 |
4801 | 106 | HB3 | 5.73 | 2 |
4801 | 106 | HB3 | 5.98 | 2 |
5172 | 50 | HB3 | 12.39 | 2 |
6049 | 3 | HB3 | 4.360 | |
16306 | 65 | HB3 | 4.09 | 1 |
16307 | 65 | HB3 | 4.12 | 1 |
17693 | 10 | HB3 | 4.105 | 2 |
27869 | 48 | HB3 | 4.280 | 2 |
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 | HB3 | -2.43 | 1 |
227 | 85 | HB3 | .14 | 2 |
228 | 89 | HB3 | .2 | 2 |
229 | 86 | HB3 | .23 | 2 |
286 | 80 | HB3 | -.2 | 1 |
316 | 80 | HB3 | .19 | 2 |
336 | 80 | HB3 | .19 | 2 |
345 | 85 | HB3 | -2.43 | 1 |
569 | 105 | HB3 | .44 | 2 |
1170 | 80 | HB3 | .2 | 2 |
1720 | 85 | HB3 | .28 | 2 |
1770 | 105 | HB3 | -.92 | 1 |
1771 | 105 | HB3 | -.97 | 1 |
2368 | 80 | HB3 | -2.36 | 1 |
2858 | 105 | HB3 | -.91 | 1 |
4079 | 62 | HB3 | 0.28 | 2 |
4188 | 92 | HB3 | -0.10 | 2 |
4189 | 80 | HB3 | -2.64 | 1 |
4471 | 78 | HB3 | -0.06 | 1 |
4562 | 105 | HB3 | 0.45 | 2 |
4578 | 61 | HB3 | -0.94 | 1 |
4800 | 106 | HB3 | 0.19 | 2 |
4800 | 106 | HB3 | 0.27 | 2 |
4942 | 24 | HB3 | 0.43 | 2 |
4943 | 105 | HB3 | -0.98 | 2 |
4943 | 105 | HB3 | -0.99 | 2 |
5068 | 106 | HB3 | 0.44 | 2 |
5069 | 106 | HB3 | 0.46 | 2 |
5086 | 59 | HB3 | -2.59 | 2 |
5222 | 83 | HB3 | -0.31 | 2 |
5304 | 56 | HB3 | -0.88 | 1 |
5345 | 42 | HB3 | 0.000 | 2 |
5352 | 171 | HB3 | 0.35 | 2 |
5372 | 80 | HB3 | -0.27 | 1 |
5389 | 70 | HB3 | 0.16 | 2 |
5406 | 80 | HB3 | -1.88 | 2 |
5512 | 107 | HB3 | 0.229 | 2 |
5597 | 50 | HB3 | -2.70 | 1 |
5625 | 69 | HB3 | -1.58 | 2 |
5803 | 106 | HB3 | 0.45 | 2 |
5804 | 106 | HB3 | 0.46 | 2 |
6634 | 69 | HB3 | -1.54 | 2 |
6658 | 8 | HB3 | 0.361 | 2 |
6966 | 71 | HB3 | 0.05 | 9 |
7112 | 56 | HB3 | -0.443 | 2 |
7159 | 105 | HB3 | 0.46 | |
7160 | 105 | HB3 | 0.44 | |
7218 | 78 | HB3 | -0.409 | |
7296 | 61 | HB3 | -0.904 | 2 |
10027 | 23 | HB3 | 0.474 | 1 |
10293 | 22 | HB3 | 0.398 | 2 |
10335 | 84 | HB3 | 0.267 | 2 |
11097 | 96 | HB3 | 0.416 | 2 |
11118 | 86 | HB3 | 0.365 | 2 |
11212 | 77 | HB3 | -0.551 | 2 |
11346 | 30 | HB3 | 0.087 | 2 |
15079 | 40 | HB3 | 0.169 | 2 |
15597 | 113 | HB3 | 0.023 | 2 |
15598 | 113 | HB3 | 0.028 | 2 |
15757 | 28 | HB3 | 0.29 | 2 |
15765 | 45 | HB3 | -0.224 | 1 |
15854 | 107 | HB3 | 0.470 | 2 |
15896 | 85 | HB3 | -0.056 | 2 |
15897 | 85 | HB3 | -0.056 | 2 |
16216 | 74 | HB3 | 0.08 | 2 |
16305 | 84 | HB3 | 0.078 | 2 |
16789 | 103 | HB3 | 0.270 | 2 |
17146 | 79 | HB3 | -2.11 | 2 |
17237 | 23 | HB3 | -0.053 | 1 |
17247 | 19 | HB3 | 0.123 | 2 |
17388 | 65 | HB3 | 0.355 | 2 |
17551 | 71 | HB3 | 0.252 | 2 |
17720 | 3 | HB3 | -0.162 | 2 |
17904 | 85 | HB3 | -0.477 | |
18292 | 83 | HB3 | 0.436 | 2 |
18574 | 8 | HB3 | -0.417 | 2 |
18575 | 8 | HB3 | -0.425 | 2 |
18596 | 27 | HB3 | 0.28 | 2 |
18628 | 87 | HB3 | -0.010 | 2 |
18642 | 38 | HB3 | 0.1110 | 2 |
18765 | 79 | HB3 | 0.313 | 2 |
18898 | 27 | HB3 | 0.426 | 1 |
18990 | 111 | HB3 | 0.1140 | 2 |
19290 | 72 | HB3 | 0.053 | 2 |
19315 | 38 | HB3 | 0.4200 | 2 |
19417 | 154 | HB3 | 0.313 | 2 |
19638 | 85 | HB3 | -27.312 | |
19713 | 3 | HB3 | -0.168 | 2 |
25326 | 109 | HB3 | 0.331 | |
25455 | 60 | HB3 | -0.514 | 2 |
25660 | 80 | HB3 | -2.814 | 1 |
25907 | 80 | HB3 | -0.227 | |
25961 | 95 | HB3 | 0.348 | |
27081 | 72 | HB3 | -0.158 | 2 |
28046 | 35 | HB3 | 0.149 | 2 |
30118 | 54 | HB3 | -0.1674 | 2 |
34041 | 47 | HB3 | 0.289 | 1 |
34064 | 55 | HB3 | -0.516 | 1 |
36473 | 110 | HB3 | 0.348 | |
50015 | 66 | HB3 | -0.277 | 1 |
50269 | 83 | HB3 | 0.10 | 2 |