Average chemical shift: 2.835
Standard deviation: 0.475
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 | HB3 | 4.7 | 1 |
4435 | 69 | HB3 | 4.63 | 2 |
4633 | 12 | HB3 | 4.3 | |
5625 | 66 | HB3 | 4.92 | 2 |
5713 | 10 | HB3 | 23.28 | 1 |
5713 | 44 | HB3 | 4.53 | 1 |
6634 | 66 | HB3 | 4.93 | 2 |
16443 | 66 | HB3 | 4.428 | 1 |
25681 | 27 | HB3 | 5.829 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
922 | 51 | HB3 | 1 | 2 |
923 | 51 | HB3 | .6 | 2 |
4039 | 90 | HB3 | 1.34 | 1 |
4122 | 18 | HB3 | 0.75 | 1 |
4229 | 32 | HB3 | 1.202 | 2 |
4231 | 32 | HB3 | 1.202 | |
4291 | 43 | HB3 | 1.029 | 1 |
4308 | 72 | HB3 | 0.025 | 1 |
4340 | 80 | HB3 | 1.40 | 1 |
4452 | 20 | HB3 | 0.8630 | 2 |
4553 | 54 | HB3 | 1.37 | 2 |
4681 | 117 | HB3 | 0.34 | |
4681 | 117 | HB3 | 0.38 | |
4682 | 117 | HB3 | 0.38 | |
4682 | 117 | HB3 | 0.45 | |
4713 | 11 | HB3 | 1.080 | 2 |
4714 | 14 | HB3 | 0.940 | 2 |
4830 | 127 | HB3 | 1.40 | 2 |
4920 | 21 | HB3 | 1.193 | 1 |
4973 | 15 | HB3 | 1.36 | 2 |
5181 | 86 | HB3 | 1.095 | 2 |
5223 | 15 | HB3 | 1.079 | |
5224 | 54 | HB3 | 1.04 | 1 |
5239 | 43 | HB3 | 1.02 | 2 |
5275 | 24 | HB3 | 0.466 | 2 |
5352 | 144 | HB3 | 1.20 | 2 |
5360 | 16 | HB3 | 1.38 | |
5461 | 9 | HB3 | 0.649 | 2 |
5748 | 28 | HB3 | 0.830 | 1 |
5754 | 16 | HB3 | 0.904 | 1 |
5819 | 50 | HB3 | 1.33 | 2 |
5867 | 17 | HB3 | 1.191 | 1 |
5884 | 96 | HB3 | 0.810 | 1 |
6010 | 60 | HB3 | 1.107 | |
6015 | 97 | HB3 | 0.700 | 2 |
6121 | 43 | HB3 | 1.13 | 2 |
6159 | 176 | HB3 | 1.210 | 2 |
6241 | 116 | HB3 | 1.110 | 1 |
6292 | 41 | HB3 | 1.02 | 2 |
6338 | 43 | HB3 | 1.296 | 2 |
6392 | 16 | HB3 | 0.89 | 1 |
6393 | 16 | HB3 | 0.88 | 1 |
6395 | 73 | HB3 | 0.42 | 2 |
6454 | 71 | HB3 | 1.140 | 2 |
6456 | 19 | HB3 | 0.85 | 2 |
6742 | 121 | HB3 | 1.087 | |
6794 | 29 | HB3 | 0.597 | 2 |
6794 | 87 | HB3 | -0.192 | 2 |
6824 | 62 | HB3 | 1.183 | 2 |
6829 | 25 | HB3 | 1.38 | 2 |
6876 | 90 | HB3 | 0.042 | 2 |
6965 | 50 | HB3 | 1.31 | 2 |
6984 | 55 | HB3 | 0.96 | 2 |
7034 | 19 | HB3 | 1.376 | |
7034 | 73 | HB3 | 1.392 | |
7083 | 102 | HB3 | 0.482 | 1 |
7256 | 68 | HB3 | 1.35 | 2 |
7286 | 100 | HB3 | 1.221 | 2 |
7286 | 114 | HB3 | 0.987 | 2 |
7381 | 124 | HB3 | 0.921 | 2 |
10041 | 48 | HB3 | 0.018 | 2 |
10084 | 61 | HB3 | 1.303 | 2 |
10086 | 21 | HB3 | 1.231 | 2 |
10114 | 40 | HB3 | 0.953 | 2 |
10138 | 34 | HB3 | 0.467 | 2 |
10165 | 116 | HB3 | 0.813 | 2 |
10165 | 133 | HB3 | 1.348 | 2 |
10240 | 26 | HB3 | 1.146 | 2 |
10241 | 53 | HB3 | -0.007 | 2 |
10246 | 38 | HB3 | 1.288 | 2 |
10251 | 50 | HB3 | 1.298 | 2 |
10272 | 17 | HB3 | 1.097 | 2 |
10272 | 45 | HB3 | 0.933 | 2 |
10278 | 39 | HB3 | 1.172 | 2 |
10280 | 17 | HB3 | 0.594 | 2 |
10312 | 28 | HB3 | 0.812 | 2 |
10315 | 39 | HB3 | 1.109 | 2 |
10316 | 41 | HB3 | 1.307 | 2 |
10316 | 42 | HB3 | 1.389 | 2 |
10317 | 52 | HB3 | 0.888 | 2 |
11001 | 109 | HB3 | 1.34 | 2 |
11007 | 11 | HB3 | 0.760 | 1 |
11008 | 11 | HB3 | 0.938 | 1 |
11032 | 56 | HB3 | -0.030 | 2 |
11033 | 58 | HB3 | -0.072 | 2 |
11078 | 110 | HB3 | 1.332 | 2 |
11088 | 51 | HB3 | 0.011 | 2 |
11110 | 72 | HB3 | 1.111 | 2 |
11148 | 76 | HB3 | 0.734 | 2 |
11155 | 26 | HB3 | 1.025 | 2 |
11185 | 16 | HB3 | 0.963 | 2 |
11194 | 19 | HB3 | 0.833 | 2 |
11212 | 90 | HB3 | 1.051 | 2 |
11214 | 16 | HB3 | 0.784 | 2 |
11220 | 17 | HB3 | 1.034 | 2 |
11224 | 16 | HB3 | 1.084 | 2 |
11225 | 18 | HB3 | 0.979 | 2 |
11277 | 15 | HB3 | 1.310 | 2 |
11304 | 87 | HB3 | 1.035 | 2 |
11306 | 92 | HB3 | 1.288 | 2 |
11312 | 42 | HB3 | 1.289 | 2 |
11363 | 27 | HB3 | 0.973 | 2 |
11404 | 19 | HB3 | 1.024 | 2 |
11481 | 14 | HB3 | 1.326 | 2 |
11486 | 14 | HB3 | 1.305 | 2 |
11488 | 69 | HB3 | 1.322 | 2 |
11496 | 41 | HB3 | -0.027 | 2 |
11500 | 70 | HB3 | 1.376 | 2 |
11507 | 52 | HB3 | 0.811 | 1 |
11573 | 11 | HB3 | 0.658 | 1 |
15243 | 4 | HB3 | 1.1 | 2 |
15369 | 21 | HB3 | 1.359 | 2 |
15375 | 11 | HB3 | -21.230 | 2 |
15377 | 24 | HB3 | 1.316 | |
15401 | 124 | HB3 | 0.921 | 2 |
15402 | 124 | HB3 | 0.961 | 2 |
15407 | 15 | HB3 | 1.086 | 2 |
15453 | 11 | HB3 | 0.696 | 1 |
15578 | 248 | HB3 | 0.908 | 2 |
15679 | 78 | HB3 | 1.199 | 1 |
15716 | 119 | HB3 | 0.96 | 2 |
15723 | 70 | HB3 | 0.906 | 2 |
15846 | 37 | HB3 | 0.95 | 2 |
15851 | 79 | HB3 | 1.254 | 2 |
15894 | 19 | HB3 | 1.109 | 2 |
15895 | 19 | HB3 | 1.109 | 2 |
15896 | 19 | HB3 | 1.164 | 2 |
15897 | 19 | HB3 | 1.134 | 2 |
15912 | 8 | HB3 | 0.47 | 2 |
15912 | 8 | HB3 | 0.53 | 2 |
16068 | 14 | HB3 | 0.460 | 1 |
16161 | 94 | HB3 | 1.409 | 2 |
16163 | 65 | HB3 | 1.204 | 1 |
16204 | 230 | HB3 | 0.892 | 2 |
16385 | 24 | HB3 | 0.966 | 2 |
16428 | 25 | HB3 | 0.549 | 2 |
16463 | 97 | HB3 | 1.143 | 2 |
16517 | 114 | HB3 | 0.93 | 2 |
16572 | 55 | HB3 | 0.788 | 2 |
16606 | 93 | HB3 | 1.270 | 2 |
16607 | 34 | HB3 | 1.169 | 2 |
16643 | 15 | HB3 | 1.1860 | 2 |
16775 | 149 | HB3 | 1.074 | 2 |
16776 | 54 | HB3 | 0.953 | 2 |
16795 | 30 | HB3 | 0.10 | 2 |
16805 | 74 | HB3 | 1.309 | 2 |
16809 | 6 | HB3 | 0.47 | 2 |
16809 | 6 | HB3 | 0.53 | 2 |
16849 | 11 | HB3 | -21.230 | 2 |
16909 | 45 | HB3 | 0.210 | 2 |
16992 | 135 | HB3 | 0.857 | 1 |
17149 | 16 | HB3 | 0.56 | 2 |
17249 | 127 | HB3 | 1.21 | 2 |
17258 | 111 | HB3 | 1.355 | 2 |
17447 | 94 | HB3 | 1.322 | 2 |
17670 | 63 | HB3 | 0.520 | 1 |
17732 | 40 | HB3 | 1.40 | 1 |
17750 | 106 | HB3 | 0.901 | 2 |
17750 | 119 | HB3 | 0.646 | 2 |
17783 | 36 | HB3 | 1.288 | 2 |
17799 | 35 | HB3 | 1.294 | 2 |
17806 | 13 | HB3 | 1.269 | 2 |
17965 | 16 | HB3 | 0.965 | 2 |
18032 | 74 | HB3 | 1.35 | 2 |
18053 | 65 | HB3 | 0.874 | 2 |
18081 | 40 | HB3 | 1.341 | 2 |
18165 | 45 | HB3 | 0.195 | 2 |
18263 | 74 | HB3 | 1.32 | 2 |
18338 | 82 | HB3 | 0.748 | |
18388 | 46 | HB3 | 0.883 | 2 |
18389 | 46 | HB3 | 1.112 | 2 |
18404 | 24 | HB3 | 0.58 | 1 |
18462 | 55 | HB3 | 1.363 | 2 |
18551 | 61 | HB3 | 1.14 | 2 |
18553 | 132 | HB3 | 1.348 | 2 |
18613 | 72 | HB3 | 0.741 | 2 |
18717 | 125 | HB3 | 0.781 | 2 |
18878 | 73 | HB3 | 0.542 | 2 |
18982 | 11 | HB3 | 1.020 | 1 |
19001 | 139 | HB3 | 1.147 | 9 |
19012 | 40 | HB3 | 1.074 | 2 |
19033 | 11 | HB3 | 0.665 | 2 |
19129 | 5 | HB3 | 1.128 | 2 |
19147 | 44 | HB3 | 1.294 | 2 |
19148 | 5 | HB3 | 1.285 | |
19164 | 152 | HB3 | 1.177 | 1 |
19225 | 131 | HB3 | 0.642 | 2 |
19282 | 70 | HB3 | 0.467 | |
19297 | 94 | HB3 | 0.335 | 2 |
19523 | 64 | HB3 | 0.720 | |
19627 | 79 | HB3 | 1.137 | 2 |
19638 | 51 | HB3 | 0.692 | |
19666 | 30 | HB3 | 0.279 | 2 |
19681 | 62 | HB3 | 1.340 | 2 |
19843 | 119 | HB3 | 1.257 | |
19904 | 117 | HB3 | 0.635 | 2 |
19977 | 68 | HB3 | 0.615 | 2 |
25111 | 54 | HB3 | 0.675 | 2 |
25311 | 11 | HB3 | 0.914 | 2 |
25391 | 170 | HB3 | 0.6670 | 2 |
25443 | 89 | HB3 | 1.280 | 2 |
25488 | 148 | HB3 | 1.388 | 2 |
25489 | 148 | HB3 | 1.388 | 2 |
25663 | 16 | HB3 | 0.834 | |
25678 | 11 | HB3 | 0.999 | 2 |
25679 | 11 | HB3 | 0.991 | |
25680 | 11 | HB3 | 1.030 | 2 |
25681 | 11 | HB3 | 0.991 | |
25682 | 11 | HB3 | 0.958 | 2 |
25683 | 11 | HB3 | 0.958 | 2 |
25829 | 126 | HB3 | 0.650 | 2 |
25881 | 21 | HB3 | 0.714 | 1 |
25881 | 21 | HB3 | 0.911 | 1 |
25953 | 62 | HB3 | 0.980 | |
26509 | 113 | HB3 | 1.047 | 1 |
26963 | 111 | HB3 | 0.107 | 2 |
27146 | 37 | HB3 | 1.163 | 2 |
27151 | 54 | HB3 | 0.828 | 2 |
27313 | 49 | HB3 | 1.344 | 2 |
30303 | 90 | HB3 | 0.974 | |
30551 | 100 | HB3 | 1.286 | 2 |
30767 | 40 | HB3 | 1.153 | 1 |
34026 | 75 | HB3 | 0.991 | 1 |
34046 | 52 | HB3 | 0.595 | 2 |
34061 | 46 | HB3 | 0.801 | 2 |
34061 | 65 | HB3 | 1 | 2 |
34170 | 23 | HB3 | 1.069 | 2 |
34227 | 19 | HB3 | 0.651 | 2 |
34229 | 19 | HB3 | 0.651 | 2 |
34326 | 46 | HB3 | 1.337 | |
34399 | 42 | HB3 | 1.28 | 2 |
34511 | 71 | HB3 | 1.061 | |
34610 | 86 | HB3 | 1.093 | |
34696 | 22 | HB3 | 1.374 | 1 |
34730 | 12 | HB3 | 1.010 | |
34840 | 53 | HB3 | 0.935 | 2 |
36170 | 17 | HB3 | 1.092 | |
36171 | 17 | HB3 | 1.073 | |
50107 | 175 | HB3 | 1.167 | 2 |
50126 | 13 | HB3 | 1.275 | 2 |
50412 | 73 | HB3 | 1.2932 | 2 |
50507 | 70 | HB3 | 1.000 | 2 |
50771 | 44 | HB3 | 1.165 | 2 |
50771 | 68 | HB3 | 1.127 | 2 |
50772 | 68 | HB3 | 1.159 | 2 |
50901 | 10 | HB3 | 1.22 | 1 |
51154 | 5 | HB3 | 1.115 | 2 |