Average chemical shift: 2.907
Standard deviation: 0.362
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
274 | 74 | HB2 | 4.16 | 1 |
923 | 79 | HB2 | 4.17 | 2 |
1381 | 35 | HB2 | 4.7 | 1 |
4042 | 14 | HB2 | 4.09 | 2 |
4268 | 2 | HB2 | 4.11 | 2 |
4435 | 69 | HB2 | 4.80 | 2 |
4633 | 12 | HB2 | 4.3 | |
5025 | 18 | HB2 | 4.04 | 2 |
5026 | 74 | HB2 | 4.06 | |
5232 | 181 | HB2 | 4.02 | 2 |
5312 | 31 | HB2 | 4.15 | 2 |
5364 | 46 | HB2 | 4.05 | 2 |
5554 | 108 | HB2 | 4.00 | 2 |
5625 | 65 | HB2 | 4.95 | 2 |
5625 | 66 | HB2 | 4.70 | 2 |
5713 | 10 | HB2 | 23.28 | 1 |
5713 | 44 | HB2 | 4.53 | 1 |
5828 | 74 | HB2 | 4.08 | 2 |
6634 | 65 | HB2 | 4.95 | 2 |
6634 | 66 | HB2 | 4.73 | 2 |
6644 | 96 | HB2 | 4.02 | 2 |
6685 | 123 | HB2 | 4.037 | 2 |
7022 | 94 | HB2 | 4.034 | 2 |
10144 | 49 | HB2 | 4.072 | 2 |
10145 | 59 | HB2 | 4.083 | 2 |
11299 | 15 | HB2 | 4.039 | 2 |
15020 | 125 | HB2 | 4.114 | 2 |
15375 | 13 | HB2 | 4.381 | 2 |
15964 | 124 | HB2 | 4.195 | 2 |
16443 | 65 | HB2 | 5.263 | 1 |
16443 | 66 | HB2 | 4.912 | 1 |
16463 | 31 | HB2 | 4.073 | 2 |
16679 | 165 | HB2 | 4.062 | 2 |
16748 | 107 | HB2 | 4.008 | 2 |
16849 | 13 | HB2 | 4.381 | 2 |
16909 | 61 | HB2 | 4.062 | 2 |
17467 | 45 | HB2 | 4.0527 | 2 |
18165 | 61 | HB2 | 4.066 | 2 |
19206 | 28 | HB2 | 4.105 | 2 |
19608 | 85 | HB2 | 4.324 | 2 |
19638 | 79 | HB2 | 4.279 | |
25354 | 13 | HB2 | 4.393 | 2 |
25513 | 85 | HB2 | 4.324 | 2 |
25640 | 74 | HB2 | 4.092 | 2 |
25681 | 27 | HB2 | 8.321 | |
25770 | 128 | HB2 | 4.133 | 2 |
26025 | 81 | HB2 | 4.107 | 2 |
27158 | 122 | HB2 | 4.07 | 2 |
27254 | 74 | HB2 | 4.060 | 2 |
34002 | 61 | HB2 | 3.997 | |
34708 | 57 | HB2 | 4.086 | 2 |
50772 | 11 | HB2 | 4.154 | 2 |
51471 | 121 | HB2 | 4.060 | 2 |
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 |
480 | 26 | HB2 | 1.65 | 1 |
481 | 26 | HB2 | 1.65 | 1 |
923 | 51 | HB2 | 1.63 | 2 |
1336 | 7 | HB2 | 1.56 | 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 |
4078 | 108 | HB2 | 1.65 | 1 |
4127 | 34 | HB2 | 1.70 | 1 |
4140 | 19 | HB2 | 1.32 | 2 |
4147 | 22 | HB2 | 1.661 | 2 |
4161 | 108 | HB2 | 1.20 | 2 |
4241 | 21 | HB2 | 0.87 | 1 |
4291 | 43 | HB2 | 1.029 | 1 |
4308 | 72 | HB2 | 1.613 | 1 |
4327 | 120 | HB2 | 1.52 | 2 |
4327 | 62 | HB2 | 1.78 | 2 |
4403 | 34 | HB2 | 1.66 | 2 |
4452 | 20 | HB2 | 0.3130 | 2 |
4491 | 19 | HB2 | 1.32 | 2 |
4510 | 26 | HB2 | 1.45 | 1 |
4565 | 112 | HB2 | 1.82 | 2 |
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 | |
4697 | 14 | HB2 | 1.637 | |
4697 | 62 | HB2 | 1.645 | |
4706 | 55 | HB2 | 0.304 | 1 |
4706 | 66 | HB2 | 1.028 | 1 |
4722 | 137 | HB2 | 1.19 | 2 |
4751 | 63 | HB2 | 1.79 | 2 |
4782 | 14 | HB2 | 1.44 | 1 |
4797 | 110 | HB2 | 1.75 | 2 |
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 |
5128 | 106 | HB2 | 1.82 | 2 |
5128 | 115 | HB2 | 1.75 | 2 |
5130 | 63 | HB2 | 1.611 | |
5142 | 63 | HB2 | 1.595 | |
5239 | 43 | HB2 | 1.24 | 2 |
5239 | 66 | HB2 | 1.03 | 2 |
5262 | 25 | HB2 | 1.09 | 1 |
5275 | 120 | HB2 | 1.550 | 2 |
5285 | 117 | HB2 | 1.81 | 1 |
5406 | 46 | HB2 | 0.995 | 2 |
5461 | 9 | HB2 | 1.490 | 2 |
5466 | 38 | HB2 | 1.71 | |
5498 | 16 | HB2 | 1.04 | 2 |
5524 | 15 | HB2 | 0.890 | 2 |
5524 | 65 | HB2 | 1.510 | 2 |
5524 | 85 | HB2 | 1.330 | 2 |
5538 | 7 | HB2 | 1.74 | 1 |
5694 | 2 | HB2 | 1.74 | 1 |
5719 | 86 | HB2 | 1.685 | 1 |
5741 | 151 | HB2 | 1.82 | 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 |
5814 | 33 | HB2 | 1.54 | 2 |
5833 | 103 | HB2 | 1.77 | 2 |
5991 | 112 | HB2 | 1.207 | 1 |
5998 | 7 | HB2 | 0.68 | 2 |
6003 | 88 | HB2 | 1.805 | 2 |
6159 | 176 | HB2 | 1.260 | 2 |
6161 | 52 | HB2 | 1.75 | 2 |
6197 | 10 | HB2 | 1.771 | 1 |
6199 | 152 | HB2 | 1.66 | 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 |
6299 | 17 | HB2 | 1.816 | 2 |
6338 | 43 | HB2 | 1.766 | 2 |
6340 | 57 | HB2 | 1.277 | 2 |
6372 | 87 | HB2 | 1.74 | 2 |
6400 | 82 | HB2 | 1.417 | 2 |
6517 | 47 | HB2 | 1.16 | 2 |
6581 | 34 | HB2 | 0.71 | 2 |
6716 | 51 | HB2 | 1.699487 | |
6724 | 49 | HB2 | 0.894 | |
6729 | 39 | HB2 | 1.68 | 1 |
6731 | 43 | HB2 | 1.606 | 2 |
6760 | 86 | HB2 | 1.50 | 2 |
6824 | 62 | HB2 | 1.802 | 2 |
6829 | 25 | HB2 | 0.956 | 2 |
6860 | 12 | HB2 | 1.562 | 2 |
6873 | 287 | HB2 | 1.599 | 1 |
7083 | 102 | HB2 | 1.767 | 1 |
7092 | 10 | HB2 | 1.408 | 1 |
7104 | 70 | HB2 | 1.03 | 2 |
7106 | 126 | HB2 | 1.554 | 2 |
7110 | 77 | HB2 | 1.76 | |
7121 | 163 | HB2 | 1.71 | 1 |
7175 | 60 | HB2 | 1.57 | 2 |
7219 | 138 | HB2 | 1.395 | 2 |
7256 | 68 | HB2 | 1.12 | 2 |
7297 | 79 | HB2 | 1.535 | 2 |
7298 | 100 | HB2 | 1.403 | 2 |
7381 | 124 | HB2 | 0.621 | 2 |
7414 | 138 | HB2 | 1.812 | 2 |
10034 | 95 | HB2 | 1.053 | 2 |
10035 | 68 | HB2 | 1.699 | 2 |
10035 | 86 | HB2 | -0.168 | 2 |
10114 | 40 | HB2 | 1.616 | 2 |
10120 | 81 | HB2 | 0.978 | 2 |
10136 | 44 | HB2 | 0.557 | 2 |
10165 | 116 | HB2 | 1.561 | 2 |
10165 | 133 | HB2 | 0.462 | 2 |
10249 | 50 | HB2 | 1.664 | 1 |
10251 | 50 | HB2 | 1.738 | 2 |
10253 | 28 | HB2 | 1.003 | 2 |
10278 | 39 | HB2 | 1.612 | 2 |
10280 | 40 | HB2 | 1.553 | 2 |
10311 | 42 | HB2 | 1.657 | 2 |
10314 | 39 | HB2 | 1.524 | 2 |
10316 | 42 | HB2 | 1.797 | 2 |
10317 | 52 | HB2 | 1.702 | 2 |
10319 | 38 | HB2 | 1.655 | 1 |
10333 | 39 | HB2 | 0.374 | 2 |
11001 | 109 | HB2 | 1.75 | 2 |
11089 | 53 | HB2 | 1.459 | 2 |
11125 | 74 | HB2 | 1.787 | 2 |
11142 | 55 | HB2 | 1.780 | 2 |
11148 | 76 | HB2 | 1.615 | 2 |
11184 | 26 | HB2 | 1.132 | 2 |
11194 | 19 | HB2 | 1.806 | 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 |
15120 | 12 | HB2 | 1.68 | |
15128 | 118 | HB2 | 1.598 | 2 |
15128 | 127 | HB2 | 1.792 | 2 |
15189 | 48 | HB2 | 0.177 | 2 |
15243 | 4 | HB2 | 1.7 | 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 |
15581 | 116 | HB2 | 1.767 | 2 |
15610 | 53 | HB2 | 1.42 | 2 |
15723 | 70 | HB2 | 1.370 | 2 |
15727 | 175 | HB2 | 1.593 | 2 |
15785 | 12 | HB2 | 1.783 | |
15816 | 61 | HB2 | 1.66 | 2 |
15912 | 8 | HB2 | 1.26 | 2 |
15912 | 8 | HB2 | 1.31 | 2 |
15913 | 129 | HB2 | 1.6300 | 1 |
15927 | 141 | HB2 | 0.492 | 2 |
15952 | 12 | HB2 | 1.783 | |
15972 | 34 | HB2 | 1.713 | 2 |
16066 | 54 | HB2 | 1.496 | 2 |
16082 | 37 | HB2 | 1.465 | 2 |
16107 | 114 | HB2 | 1.543 | 1 |
16161 | 94 | HB2 | 1.631 | 2 |
16164 | 26 | HB2 | 1.682 | 2 |
16173 | 147 | HB2 | 1.696 | 2 |
16173 | 59 | HB2 | 1.729 | 2 |
16204 | 230 | HB2 | 1.361 | 2 |
16231 | 2 | HB2 | 1.796 | 2 |
16238 | 64 | HB2 | 1.79 | 2 |
16258 | 40 | HB2 | 1.700 | 2 |
16362 | 135 | HB2 | 1.741 | 2 |
16428 | 25 | HB2 | 0.479 | 2 |
16428 | 56 | HB2 | 0.808 | 2 |
16428 | 57 | HB2 | 1.653 | 2 |
16442 | 57 | HB2 | 1.280 | 2 |
16517 | 114 | HB2 | 1.71 | 2 |
16557 | 17 | HB2 | 1.52 | 2 |
16576 | 20 | HB2 | 1.17 | 2 |
16614 | 105 | HB2 | 1.77 | 2 |
16618 | 7 | HB2 | 1.744 | 2 |
16630 | 135 | HB2 | 1.703 | 2 |
16677 | 79 | HB2 | 1.776 | 2 |
16795 | 30 | HB2 | 0.84 | 2 |
16805 | 74 | HB2 | 1.648 | 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 |
16967 | 34 | HB2 | 1.680 | 2 |
17031 | 136 | HB2 | 1.38 | 2 |
17146 | 81 | HB2 | 0.50 | 2 |
17249 | 127 | HB2 | 1.23 | 2 |
17250 | 216 | HB2 | 1.606 | 2 |
17257 | 36 | HB2 | 0.743 | 2 |
17298 | 23 | HB2 | 1.57 | 2 |
17382 | 106 | HB2 | 1.779 | 2 |
17382 | 120 | HB2 | 0.862 | 2 |
17456 | 13 | HB2 | 1.596 | 1 |
17467 | 62 | HB2 | 1.7776 | 2 |
17586 | 21 | HB2 | 1.412 | 2 |
17608 | 42 | HB2 | 1.784 | 2 |
17670 | 63 | HB2 | 1.743 | 1 |
17683 | 62 | HB2 | 1.811 | 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 |
17864 | 60 | HB2 | 1.670 | 2 |
17903 | 51 | HB2 | 0.767 | |
17904 | 51 | HB2 | 0.881 | |
17946 | 143 | HB2 | 1.14 | 2 |
17960 | 86 | HB2 | 0.879 | 2 |
18032 | 74 | HB2 | 1.71 | 2 |
18047 | 111 | HB2 | 0.829 | 2 |
18092 | 96 | HB2 | 1.743 | 1 |
18098 | 49 | HB2 | 1.413 | 2 |
18165 | 45 | HB2 | 1.820 | 2 |
18167 | 17 | HB2 | 1.368 | 2 |
18182 | 10 | HB2 | 1.305 | 2 |
18183 | 10 | HB2 | 1.264 | 2 |
18183 | 13 | HB2 | 1.588 | 2 |
18193 | 18 | HB2 | 1.710 | 2 |
18197 | 69 | HB2 | 1.75 | 2 |
18250 | 155 | HB2 | 1.774 | 2 |
18263 | 74 | HB2 | 1.65 | 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 |
18338 | 82 | HB2 | 1.809 | |
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 |
18504 | 17 | HB2 | 1.728 | 1 |
18526 | 50 | HB2 | 1.327 | 2 |
18529 | 99 | HB2 | 1.769 | 2 |
18553 | 132 | HB2 | 1.78 | 2 |
18569 | 16 | HB2 | 1.008 | 2 |
18604 | 51 | HB2 | 1.750 | 2 |
18613 | 72 | HB2 | 1.800 | 2 |
18632 | 68 | HB2 | -0.494 | 2 |
18684 | 9 | HB2 | 1.6440 | 2 |
18806 | 8 | HB2 | 1.752 | 2 |
18839 | 85 | HB2 | 1.52 | 1 |
18853 | 226 | HB2 | 1.438 | 2 |
18943 | 62 | HB2 | 1.123 | 2 |
18977 | 121 | HB2 | 1.785 | 2 |
19129 | 5 | HB2 | 1.665 | 2 |
19219 | 81 | HB2 | 1.731 | 2 |
19225 | 131 | HB2 | 1.355 | 2 |
19297 | 94 | HB2 | 1.428 | 2 |
19458 | 96 | HB2 | 1.6018 | |
19482 | 65 | HB2 | 1.5990 | 2 |
19508 | 37 | HB2 | 1.459 | 2 |
19518 | 152 | HB2 | 1.597 | 1 |
19523 | 64 | HB2 | 0.720 | |
19624 | 128 | HB2 | 1.688 | 2 |
19625 | 97 | HB2 | 1.63 | 2 |
19638 | 51 | HB2 | 1.526 | |
19681 | 62 | HB2 | 1.450 | 2 |
19687 | 43 | HB2 | -0.486 | 2 |
19766 | 89 | HB2 | 1.301 | 2 |
19775 | 66 | HB2 | 1.603 | 1 |
19904 | 117 | HB2 | 1.408 | 2 |
25016 | 96 | HB2 | 1.706 | |
25020 | 96 | HB2 | 1.807 | |
25087 | 82 | HB2 | 1.619 | 1 |
25127 | 127 | HB2 | 1.388 | 2 |
25175 | 25 | HB2 | 1.132 | 2 |
25299 | 91 | HB2 | 1.774 | 1 |
25350 | 84 | HB2 | 1.675 | 1 |
25432 | 189 | HB2 | 1.791 | 1 |
25443 | 89 | HB2 | 1.445 | 2 |
25482 | 90 | HB2 | 1.743 | 2 |
25485 | 147 | HB2 | 1.345 | 2 |
25512 | 42 | HB2 | 1.464 | 2 |
25870 | 103 | HB2 | 1.639 | 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 |
25987 | 69 | HB2 | 1.532 | 2 |
25993 | 50 | HB2 | 1.726 | 2 |
26333 | 189 | HB2 | 1.711 | 2 |
27165 | 16 | HB2 | 0.5600 | 2 |
27313 | 49 | HB2 | 1.577 | 2 |
27435 | 52 | HB2 | 1.704 | 2 |
27458 | 116 | HB2 | 1.179 | 2 |
27830 | 116 | HB2 | 1.283 | 2 |
27989 | 81 | HB2 | 1.748 | 2 |
28016 | 100 | HB2 | 1.719 | 2 |
28058 | 134 | HB2 | 1.441 | 2 |
30061 | 51 | HB2 | 0.824 | 2 |
30118 | 32 | HB2 | 1.7640 | 2 |
30285 | 42 | HB2 | 1.572 | 1 |
30543 | 76 | HB2 | 1.806 | 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 |
34227 | 19 | HB2 | 1.644 | 2 |
34227 | 36 | HB2 | 1.661 | 2 |
34229 | 19 | HB2 | 1.644 | 2 |
34229 | 36 | HB2 | 1.661 | 2 |
34307 | 106 | HB2 | 1.025 | 2 |
34365 | 12 | HB2 | 1.129 | |
34399 | 42 | HB2 | 1.28 | 2 |
34424 | 137 | HB2 | 1.646 | 2 |
34464 | 73 | HB2 | 1.156 | 2 |
34511 | 46 | HB2 | 1.550 | |
34585 | 105 | HB2 | 0.830 | 2 |
34699 | 101 | HB2 | 1.672 | |
34720 | 101 | HB2 | 1.666 | |
34773 | 101 | HB2 | 1.650 | |
36027 | 106 | HB2 | 1.780 | 2 |
36037 | 9 | HB2 | 1.306 | |
36080 | 15 | HB2 | 1.772 | |
36080 | 22 | HB2 | 1.722 | |
36117 | 134 | HB2 | 1.553 | |
36299 | 142 | HB2 | 1.402 | 2 |
36471 | 42 | HB2 | 1.594 | 2 |
50107 | 175 | HB2 | 1.651 | 2 |
50269 | 61 | HB2 | 1.70 | 2 |
50412 | 73 | HB2 | 1.7744 | 2 |
50772 | 44 | HB2 | 1.219 | 2 |
50811 | 99 | HB2 | 1.483 | 2 |
50812 | 100 | HB2 | 1.574 | 2 |
50941 | 128 | HB2 | 1.726 | 1 |
51160 | 130 | HB2 | 1.337 | |
51342 | 16 | HB2 | 1.640 | 2 |
51662 | 53 | HB2 | 1.673 | 2 |
51871 | 33 | HB2 | 1.598 | 2 |