Average chemical shift: 2.899
Standard deviation: 0.458
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1381 | 35 | HB2 | 4.7 | 1 |
4435 | 69 | HB2 | 4.80 | 2 |
4633 | 12 | HB2 | 4.3 | |
5625 | 65 | HB2 | 4.95 | 2 |
5625 | 66 | HB2 | 4.70 | 2 |
5713 | 10 | HB2 | 23.28 | 1 |
5713 | 44 | HB2 | 4.53 | 1 |
6634 | 65 | HB2 | 4.95 | 2 |
6634 | 66 | HB2 | 4.73 | 2 |
15375 | 13 | HB2 | 4.381 | 2 |
16443 | 65 | HB2 | 5.263 | 1 |
16443 | 66 | HB2 | 4.912 | 1 |
16849 | 13 | HB2 | 4.381 | 2 |
19608 | 85 | HB2 | 4.324 | 2 |
19638 | 79 | HB2 | 4.279 | |
25354 | 13 | HB2 | 4.393 | 2 |
25513 | 85 | HB2 | 4.324 | 2 |
25681 | 27 | HB2 | 8.321 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
345 | 51 | HB2 | 1 | 1 |
346 | 51 | HB2 | .6 | 1 |
1474 | 16 | HB2 | 1.16 | 2 |
1500 | 7 | HB2 | 1.2 | 2 |
1719 | 51 | HB2 | .67 | 2 |
1720 | 51 | HB2 | 1 | 2 |
1745 | 7 | HB2 | 1.2 | 1 |
1911 | 7 | HB2 | 1.32 | 1 |
2198 | 80 | HB2 | 1.34 | 2 |
4045 | 112 | HB2 | 0.70 | 2 |
4140 | 19 | HB2 | 1.32 | 2 |
4161 | 108 | HB2 | 1.20 | 2 |
4241 | 21 | HB2 | 0.87 | 1 |
4291 | 43 | HB2 | 1.029 | 1 |
4327 | 120 | HB2 | 1.52 | 2 |
4452 | 20 | HB2 | 0.3130 | 2 |
4491 | 19 | HB2 | 1.32 | 2 |
4510 | 26 | HB2 | 1.45 | 1 |
4623 | 21 | HB2 | 0.80 | 1 |
4679 | 111 | HB2 | 1.5200 | |
4681 | 117 | HB2 | 1.24 | |
4681 | 117 | HB2 | 1.31 | |
4682 | 117 | HB2 | 1.34 | |
4682 | 117 | HB2 | 1.35 | |
4706 | 55 | HB2 | 0.304 | 1 |
4706 | 66 | HB2 | 1.028 | 1 |
4722 | 137 | HB2 | 1.19 | 2 |
4782 | 14 | HB2 | 1.44 | 1 |
4860 | 77 | HB2 | 1.04 | 2 |
4900 | 22 | HB2 | 0.86 | 2 |
4946 | 31 | HB2 | 1.07 | 2 |
4947 | 31 | HB2 | 0.95 | 2 |
4973 | 15 | HB2 | 0.97 | 2 |
5012 | 34 | HB2 | 1.09 | 1 |
5047 | 41 | HB2 | 1.010 | 1 |
5239 | 43 | HB2 | 1.24 | 2 |
5239 | 66 | HB2 | 1.03 | 2 |
5262 | 25 | HB2 | 1.09 | 1 |
5406 | 46 | HB2 | 0.995 | 2 |
5461 | 9 | HB2 | 1.490 | 2 |
5498 | 16 | HB2 | 1.04 | 2 |
5524 | 15 | HB2 | 0.890 | 2 |
5524 | 65 | HB2 | 1.510 | 2 |
5524 | 85 | HB2 | 1.330 | 2 |
5756 | 3 | HB2 | 0.89 | 2 |
5794 | 15 | HB2 | 1.120 | 2 |
5809 | 42 | HB2 | 1.35 | 1 |
5809 | 42 | HB2 | 1.4 | 1 |
5991 | 112 | HB2 | 1.207 | 1 |
5998 | 7 | HB2 | 0.68 | 2 |
6159 | 176 | HB2 | 1.260 | 2 |
6230 | 35 | HB2 | 0.57 | 2 |
6230 | 35 | HB2 | 0.6 | 2 |
6231 | 9 | HB2 | 0.91 | 2 |
6261 | 19 | HB2 | 0.88 | 2 |
6340 | 57 | HB2 | 1.277 | 2 |
6400 | 82 | HB2 | 1.417 | 2 |
6517 | 47 | HB2 | 1.16 | 2 |
6581 | 34 | HB2 | 0.71 | 2 |
6724 | 49 | HB2 | 0.894 | |
6760 | 86 | HB2 | 1.50 | 2 |
6829 | 25 | HB2 | 0.956 | 2 |
7092 | 10 | HB2 | 1.408 | 1 |
7104 | 70 | HB2 | 1.03 | 2 |
7219 | 138 | HB2 | 1.395 | 2 |
7256 | 68 | HB2 | 1.12 | 2 |
7298 | 100 | HB2 | 1.403 | 2 |
7381 | 124 | HB2 | 0.621 | 2 |
10034 | 95 | HB2 | 1.053 | 2 |
10035 | 86 | HB2 | -0.168 | 2 |
10120 | 81 | HB2 | 0.978 | 2 |
10136 | 44 | HB2 | 0.557 | 2 |
10165 | 133 | HB2 | 0.462 | 2 |
10253 | 28 | HB2 | 1.003 | 2 |
10314 | 39 | HB2 | 1.524 | 2 |
10333 | 39 | HB2 | 0.374 | 2 |
11089 | 53 | HB2 | 1.459 | 2 |
11184 | 26 | HB2 | 1.132 | 2 |
11194 | 46 | HB2 | 0.574 | 2 |
11233 | 17 | HB2 | 1.472 | 2 |
11422 | 71 | HB2 | 1.374 | 2 |
11456 | 49 | HB2 | 1.45 | 2 |
11457 | 106 | HB2 | 0.099 | 2 |
11487 | 41 | HB2 | 1.321 | 2 |
11507 | 52 | HB2 | 1.520 | 1 |
11573 | 11 | HB2 | 1.435 | 1 |
15007 | 20 | HB2 | 0.81 | 2 |
15189 | 48 | HB2 | 0.177 | 2 |
15270 | 39 | HB2 | 1.212 | 2 |
15322 | 29 | HB2 | 0.824 | 2 |
15375 | 11 | HB2 | -21.230 | 2 |
15401 | 124 | HB2 | 0.621 | 2 |
15402 | 124 | HB2 | 0.621 | 2 |
15578 | 248 | HB2 | 1.170 | 2 |
15610 | 53 | HB2 | 1.42 | 2 |
15723 | 70 | HB2 | 1.370 | 2 |
15912 | 8 | HB2 | 1.26 | 2 |
15912 | 8 | HB2 | 1.31 | 2 |
15927 | 141 | HB2 | 0.492 | 2 |
16066 | 54 | HB2 | 1.496 | 2 |
16082 | 37 | HB2 | 1.465 | 2 |
16204 | 230 | HB2 | 1.361 | 2 |
16428 | 25 | HB2 | 0.479 | 2 |
16428 | 56 | HB2 | 0.808 | 2 |
16442 | 57 | HB2 | 1.280 | 2 |
16557 | 17 | HB2 | 1.52 | 2 |
16576 | 20 | HB2 | 1.17 | 2 |
16795 | 30 | HB2 | 0.84 | 2 |
16809 | 6 | HB2 | 1.26 | 2 |
16809 | 6 | HB2 | 1.31 | 2 |
16840 | 94 | HB2 | 0.923 | 2 |
16841 | 127 | HB2 | 1.49 | 1 |
16849 | 11 | HB2 | -21.230 | 2 |
17031 | 136 | HB2 | 1.38 | 2 |
17146 | 81 | HB2 | 0.50 | 2 |
17249 | 127 | HB2 | 1.23 | 2 |
17257 | 36 | HB2 | 0.743 | 2 |
17382 | 120 | HB2 | 0.862 | 2 |
17586 | 21 | HB2 | 1.412 | 2 |
17750 | 106 | HB2 | 1.066 | 2 |
17755 | 14 | HB2 | 0.5700 | 2 |
17755 | 9 | HB2 | 1.0860 | 2 |
17799 | 35 | HB2 | 1.294 | 2 |
17806 | 13 | HB2 | 1.269 | 2 |
17903 | 51 | HB2 | 0.767 | |
17904 | 51 | HB2 | 0.881 | |
17946 | 143 | HB2 | 1.14 | 2 |
17960 | 86 | HB2 | 0.879 | 2 |
18047 | 111 | HB2 | 0.829 | 2 |
18098 | 49 | HB2 | 1.413 | 2 |
18167 | 17 | HB2 | 1.368 | 2 |
18182 | 10 | HB2 | 1.305 | 2 |
18183 | 10 | HB2 | 1.264 | 2 |
18277 | 112 | HB2 | 0.903 | 2 |
18277 | 53 | HB2 | 1.016 | 2 |
18281 | 101 | HB2 | 1.35 | 2 |
18317 | 82 | HB2 | 1.52 | 1 |
18321 | 207 | HB2 | 1.5221 | 2 |
18388 | 152 | HB2 | 1.481 | 2 |
18388 | 46 | HB2 | 0.883 | 2 |
18388 | 58 | HB2 | -0.024 | 2 |
18389 | 46 | HB2 | 1.112 | 2 |
18389 | 58 | HB2 | 0.146 | 2 |
18390 | 45 | HB2 | 0.089 | 2 |
18411 | 94 | HB2 | 0.636 | 2 |
18415 | 106 | HB2 | 0.298 | 2 |
18463 | 32 | HB2 | 1.378 | 2 |
18526 | 50 | HB2 | 1.327 | 2 |
18569 | 16 | HB2 | 1.008 | 2 |
18632 | 68 | HB2 | -0.494 | 2 |
18839 | 85 | HB2 | 1.52 | 1 |
18853 | 226 | HB2 | 1.438 | 2 |
18943 | 62 | HB2 | 1.123 | 2 |
19225 | 131 | HB2 | 1.355 | 2 |
19297 | 94 | HB2 | 1.428 | 2 |
19508 | 37 | HB2 | 1.459 | 2 |
19523 | 64 | HB2 | 0.720 | |
19681 | 62 | HB2 | 1.450 | 2 |
19687 | 43 | HB2 | -0.486 | 2 |
19766 | 89 | HB2 | 1.301 | 2 |
19904 | 117 | HB2 | 1.408 | 2 |
25127 | 127 | HB2 | 1.388 | 2 |
25175 | 25 | HB2 | 1.132 | 2 |
25443 | 89 | HB2 | 1.445 | 2 |
25485 | 147 | HB2 | 1.345 | 2 |
25512 | 42 | HB2 | 1.464 | 2 |
25907 | 46 | HB2 | 0.980 | |
25908 | 46 | HB2 | 0.581 | |
25934 | 12 | HB2 | 1.463 | 2 |
25953 | 43 | HB2 | 0.778 | |
25953 | 62 | HB2 | 0.978 | |
25986 | 69 | HB2 | 1.465 | 2 |
27165 | 16 | HB2 | 0.5600 | 2 |
27458 | 116 | HB2 | 1.179 | 2 |
27830 | 116 | HB2 | 1.283 | 2 |
28058 | 134 | HB2 | 1.441 | 2 |
30061 | 51 | HB2 | 0.824 | 2 |
30784 | 43 | HB2 | 1.008 | 2 |
30821 | 135 | HB2 | -0.168 | 2 |
30926 | 107 | HB2 | 1.384 | 2 |
30950 | 107 | HB2 | 1.392 | 2 |
30969 | 16 | HB2 | 1.02 | |
34028 | 10 | HB2 | 1.183 | |
34046 | 52 | HB2 | 1.064 | 2 |
34061 | 65 | HB2 | 1 | 2 |
34307 | 106 | HB2 | 1.025 | 2 |
34365 | 12 | HB2 | 1.129 | |
34399 | 42 | HB2 | 1.28 | 2 |
34464 | 73 | HB2 | 1.156 | 2 |
34585 | 105 | HB2 | 0.830 | 2 |
36037 | 9 | HB2 | 1.306 | |
36299 | 142 | HB2 | 1.402 | 2 |
50772 | 44 | HB2 | 1.219 | 2 |
50811 | 99 | HB2 | 1.483 | 2 |
51160 | 130 | HB2 | 1.337 |