Average chemical shift: 2.936
Standard deviation: 0.398
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4115 | 83 | HB3 | 12.72 | 1 |
5239 | 76 | HB3 | 4.42 | 2 |
5999 | 85 | HB3 | 4.310 | 2 |
6142 | 142 | HB3 | 4.29 | 1 |
6533 | 42 | HB3 | 4.181 | 2 |
11142 | 31 | HB3 | 4.172 | 2 |
11157 | 25 | HB3 | 4.173 | 2 |
11298 | 30 | HB3 | 4.690 | 2 |
15375 | 49 | HB3 | 4.211 | 2 |
16306 | 49 | HB3 | 4.35 | 1 |
16307 | 49 | HB3 | 4.26 | 2 |
16466 | 40 | HB3 | 4.360 | 2 |
16841 | 120 | HB3 | 4.14 | 1 |
16849 | 49 | HB3 | 4.211 | 2 |
17144 | 66 | HB3 | 4.37 | 2 |
18400 | 43 | HB3 | 4.185 | 2 |
18882 | 74 | HB3 | 4.184 | |
19429 | 3 | HB3 | 4.473 | |
19586 | 2 | HB3 | 4.241 | 1 |
19834 | 112 | HB3 | 4.133 | |
25766 | 161 | HB3 | 4.565 | 2 |
27363 | 6 | HB3 | 4.407 | 2 |
30205 | 90 | HB3 | 4.656 | 2 |
30858 | 27 | HB3 | 4.191 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
274 | 46 | HB3 | 1.72 | 2 |
443 | 120 | HB3 | 1.48 | 2 |
922 | 87 | HB3 | .61 | 2 |
979 | 13 | HB3 | 1.61 | 2 |
1171 | 46 | HB3 | 1.63 | 2 |
2063 | 82 | HB3 | 1.65 | 1 |
3078 | 62 | HB3 | 1.56 | 2 |
4039 | 54 | HB3 | 1.59 | 1 |
4041 | 54 | HB3 | 1.59 | 1 |
4113 | 51 | HB3 | 1.65 | 2 |
4127 | 31 | HB3 | 1.09 | 2 |
4138 | 104 | HB3 | 1.66 | 2 |
4156 | 25 | HB3 | 0.59 | 1 |
4186 | 50 | HB3 | 1.65 | 1 |
4248 | 10 | HB3 | 1.46 | 1 |
4305 | 49 | HB3 | 0.730 | 2 |
4311 | 37 | HB3 | 1.569 | 2 |
4370 | 121 | HB3 | 1.35 | 1 |
4371 | 99 | HB3 | 1.562 | |
4381 | 73 | HB3 | 1.556 | 2 |
4435 | 24 | HB3 | 1.21 | 2 |
4437 | 19 | HB3 | 0.62 | 2 |
4453 | 16 | HB3 | 1.72 | 2 |
4455 | 15 | HB3 | 1.33 | 2 |
4471 | 80 | HB3 | 0.50 | 1 |
4487 | 42 | HB3 | 1.34 | 2 |
4602 | 58 | HB3 | 0.75 | 2 |
4673 | 47 | HB3 | 1.62 | 2 |
4681 | 50 | HB3 | 1.39 | |
4681 | 50 | HB3 | 1.45 | |
4682 | 50 | HB3 | 1.45 | |
4682 | 50 | HB3 | 1.51 | |
4706 | 95 | HB3 | 1.202 | 1 |
4797 | 163 | HB3 | 1.62 | 2 |
4830 | 67 | HB3 | 1.01 | 2 |
4830 | 96 | HB3 | 1.74 | 2 |
4860 | 118 | HB3 | 1.49 | 2 |
4884 | 54 | HB3 | 0.57 | 2 |
4912 | 46 | HB3 | 0.7300 | 1 |
5026 | 46 | HB3 | 1.16 | |
5026 | 82 | HB3 | 1.60 | |
5159 | 20 | HB3 | 0.99 | 2 |
5165 | 80 | HB3 | 1.238 | 1 |
5169 | 63 | HB3 | 1.536 | 2 |
5179 | 32 | HB3 | 1.270 | |
5223 | 56 | HB3 | 1.147 | |
5232 | 49 | HB3 | 1.31 | 2 |
5235 | 23 | HB3 | 1.690 | 2 |
5241 | 67 | HB3 | 1.66 | 1 |
5247 | 50 | HB3 | 1.710 | 2 |
5269 | 34 | HB3 | 1.12 | 1 |
5284 | 47 | HB3 | 1.53 | 1 |
5284 | 62 | HB3 | 1.53 | 1 |
5285 | 47 | HB3 | 1.51 | 1 |
5285 | 62 | HB3 | 1.51 | 1 |
5297 | 113 | HB3 | 1.69 | 1 |
5320 | 64 | HB3 | 1.70 | 1 |
5333 | 76 | HB3 | 1.38 | 1 |
5357 | 68 | HB3 | 1.37 | 2 |
5505 | 87 | HB3 | 1.08 | 2 |
5513 | 42 | HB3 | 1.492 | 2 |
5529 | 72 | HB3 | 1.713 | |
5541 | 52 | HB3 | 1.08 | 2 |
5568 | 60 | HB3 | 1.72 | 2 |
5623 | 38 | HB3 | 1.022 | 1 |
5625 | 20 | HB3 | 0.79 | 2 |
5628 | 109 | HB3 | 0.57 | 2 |
5628 | 161 | HB3 | 0.61 | 2 |
5654 | 52 | HB3 | 1.0458 | 2 |
5729 | 13 | HB3 | 1.38 | 2 |
5742 | 16 | HB3 | 0.844 | |
5745 | 39 | HB3 | 1.04 | 2 |
5745 | 62 | HB3 | 0.77 | 2 |
5784 | 63 | HB3 | 1.524 | 2 |
5794 | 56 | HB3 | 1.606 | 2 |
5822 | 2 | HB3 | 1.09 | 2 |
5823 | 120 | HB3 | 1.09 | 2 |
5827 | 82 | HB3 | 0.49 | 2 |
5872 | 20 | HB3 | 1.55 | 1 |
5880 | 39 | HB3 | 1.559 | 1 |
5902 | 83 | HB3 | 0.655 | 2 |
5939 | 100 | HB3 | 0.692 | 2 |
5963 | 95 | HB3 | 1.693 | 2 |
6051 | 54 | HB3 | 1.498 | 1 |
6071 | 48 | HB3 | 0.31 | 1 |
6079 | 19 | HB3 | 1.658 | 1 |
6134 | 22 | HB3 | 1.58 | 1 |
6159 | 11 | HB3 | 1.572 | 1 |
6225 | 9 | HB3 | 0.300 | 2 |
6230 | 41 | HB3 | 1.65 | 2 |
6230 | 41 | HB3 | 1.66 | 2 |
6255 | 29 | HB3 | 1.549 | 2 |
6330 | 81 | HB3 | 1.35 | 2 |
6336 | 81 | HB3 | 1.27 | 2 |
6338 | 62 | HB3 | 1.051 | 2 |
6341 | 105 | HB3 | 1.541 | 2 |
6342 | 59 | HB3 | 0.63 | 2 |
6390 | 116 | HB3 | 1.44 | 2 |
6390 | 68 | HB3 | 1.16 | 2 |
6401 | 45 | HB3 | 1.688 | 2 |
6439 | 109 | HB3 | 1.712 | 2 |
6444 | 93 | HB3 | 1.648 | |
6464 | 86 | HB3 | 1.47 | 2 |
6493 | 79 | HB3 | 1.50 | 2 |
6578 | 104 | HB3 | 1.2800 | 2 |
6578 | 151 | HB3 | 1.3200 | 2 |
6605 | 114 | HB3 | 1.57 | |
6605 | 37 | HB3 | 1.01 | |
6634 | 20 | HB3 | 0.90 | 2 |
6658 | 102 | HB3 | 1.701 | 2 |
6658 | 118 | HB3 | 1.51 | 2 |
6686 | 20 | HB3 | 1.05 | |
6732 | 15 | HB3 | 1.528 | |
6759 | 75 | HB3 | 1.5330 | |
6786 | 114 | HB3 | 1.658 | 1 |
6866 | 71 | HB3 | 1.369 | 2 |
6876 | 35 | HB3 | 0.746 | 2 |
6903 | 14 | HB3 | 1.5970 | 1 |
6904 | 14 | HB3 | 1.630 | 1 |
6912 | 11 | HB3 | 1.59 | 1 |
6921 | 62 | HB3 | 0.989 | 2 |
6928 | 42 | HB3 | 1.633 | 2 |
6960 | 85 | HB3 | 1.455 | |
6966 | 28 | HB3 | 0.83 | 2 |
7089 | 98 | HB3 | 1.720 | 2 |
7178 | 68 | HB3 | 0.98 | 2 |
7395 | 68 | HB3 | 1.663 | |
10039 | 83 | HB3 | 0.594 | 2 |
10073 | 78 | HB3 | 1.227 | 2 |
10088 | 41 | HB3 | 1.653 | 2 |
10099 | 54 | HB3 | 0.088 | 2 |
10107 | 107 | HB3 | 1.549 | 2 |
10114 | 91 | HB3 | 1.324 | 2 |
10122 | 46 | HB3 | 0.305 | 2 |
10123 | 72 | HB3 | 0.766 | 2 |
10144 | 201 | HB3 | 1.654 | 2 |
10144 | 30 | HB3 | 1.741 | 2 |
10145 | 211 | HB3 | 1.669 | 2 |
10148 | 22 | HB3 | 1.681 | 2 |
10195 | 26 | HB3 | 1.152 | 2 |
10250 | 20 | HB3 | 1.263 | 2 |
10250 | 48 | HB3 | 1.741 | 2 |
10253 | 87 | HB3 | 0.953 | 2 |
10255 | 79 | HB3 | 0.965 | 2 |
10270 | 88 | HB3 | 0.818 | 2 |
10301 | 67 | HB3 | 0.990 | 2 |
10302 | 16 | HB3 | 1.135 | 2 |
10311 | 89 | HB3 | 0.767 | 2 |
10312 | 87 | HB3 | 0.898 | 2 |
10313 | 81 | HB3 | 1.372 | 2 |
10315 | 97 | HB3 | 0.943 | 2 |
10317 | 99 | HB3 | 0.835 | 2 |
11057 | 107 | HB3 | 1.392 | 1 |
11086 | 121 | HB3 | 1.394 | 2 |
11087 | 18 | HB3 | 1.335 | 2 |
11090 | 88 | HB3 | 1.321 | 2 |
11092 | 50 | HB3 | 0.300 | 2 |
11094 | 87 | HB3 | 1.453 | 2 |
11095 | 87 | HB3 | 1.507 | 2 |
11113 | 101 | HB3 | 1.312 | 2 |
11146 | 103 | HB3 | 1.334 | 2 |
11146 | 99 | HB3 | 1.690 | 2 |
11148 | 89 | HB3 | 0.755 | 2 |
11213 | 26 | HB3 | 1.078 | 2 |
11237 | 23 | HB3 | 1.497 | 2 |
11285 | 26 | HB3 | 0.976 | 2 |
11289 | 56 | HB3 | 0.980 | 2 |
11293 | 69 | HB3 | 1.624 | 2 |
11308 | 20 | HB3 | 0.973 | 2 |
11312 | 60 | HB3 | 1.451 | 2 |
11337 | 62 | HB3 | 1.430 | 2 |
11338 | 61 | HB3 | 1.330 | 2 |
11348 | 35 | HB3 | -0.192 | 2 |
11351 | 34 | HB3 | 1.405 | 2 |
11468 | 100 | HB3 | 0.396 | 2 |
11476 | 14 | HB3 | 1.630 | 2 |
11484 | 14 | HB3 | 1.586 | 2 |
11516 | 135 | HB3 | 1.474 | 2 |
11516 | 80 | HB3 | 1.156 | 2 |
11529 | 42 | HB3 | 1.618 | |
11531 | 8 | HB3 | 0.416 | |
11549 | 48 | HB3 | -0.103 | 1 |
15032 | 128 | HB3 | 0.31 | 2 |
15059 | 176 | HB3 | 1.613 | 2 |
15084 | 47 | HB3 | 1.650 | 2 |
15193 | 31 | HB3 | 1.70 | 2 |
15249 | 60 | HB3 | 0.877 | 2 |
15281 | 33 | HB3 | 1.454 | 2 |
15303 | 31 | HB3 | 0.53 | 2 |
15303 | 87 | HB3 | 1.60 | 2 |
15313 | 79 | HB3 | 1.622 | 2 |
15327 | 40 | HB3 | 1.71 | 2 |
15337 | 34 | HB3 | 1.501 | 2 |
15361 | 106 | HB3 | 1.558 | 1 |
15439 | 15 | HB3 | 0.823 | |
15452 | 117 | HB3 | 1.65 | 1 |
15469 | 72 | HB3 | 1.460 | 2 |
15480 | 63 | HB3 | 1.447 | 2 |
15581 | 78 | HB3 | 1.489 | 2 |
15597 | 93 | HB3 | 1.266 | 2 |
15618 | 58 | HB3 | 1.464 | 2 |
15715 | 48 | HB3 | 1.49 | 2 |
15716 | 71 | HB3 | 1.53 | 2 |
15743 | 60 | HB3 | 1.69 | 2 |
15776 | 22 | HB3 | 1.23 | 2 |
15807 | 123 | HB3 | 1.255 | 2 |
15810 | 43 | HB3 | 1.416 | 2 |
15814 | 33 | HB3 | 1.401 | 2 |
15829 | 70 | HB3 | 1.107 | 2 |
15916 | 39 | HB3 | 1.65 | 2 |
15935 | 21 | HB3 | 0.418 | 2 |
15941 | 75 | HB3 | 1.543 | 2 |
16031 | 68 | HB3 | 1.703 | 2 |
16042 | 64 | HB3 | 1.620 | 2 |
16046 | 64 | HB3 | 1.620 | 2 |
16047 | 64 | HB3 | 1.631 | 2 |
16048 | 64 | HB3 | 1.614 | 2 |
16049 | 64 | HB3 | 1.614 | 2 |
16063 | 50 | HB3 | 1.6000 | 2 |
16093 | 102 | HB3 | 1.74 | 2 |
16141 | 55 | HB3 | 1.13 | |
16161 | 10 | HB3 | 1.682 | 2 |
16219 | 19 | HB3 | 1.200 | 2 |
16266 | 22 | HB3 | 0.454 | 2 |
16272 | 55 | HB3 | 0.491 | 2 |
16283 | 55 | HB3 | 0.494 | 2 |
16306 | 33 | HB3 | 1.35 | 1 |
16307 | 33 | HB3 | 1.3 | 2 |
16443 | 20 | HB3 | 1.468 | 1 |
16446 | 34 | HB3 | 1.329 | 2 |
16446 | 56 | HB3 | 1.665 | 2 |
16578 | 123 | HB3 | 1.651 | 2 |
16606 | 75 | HB3 | 1.321 | 2 |
16607 | 75 | HB3 | 0.160 | 2 |
16613 | 58 | HB3 | 1.470 | 2 |
16632 | 75 | HB3 | 1.063 | 2 |
16632 | 75 | HB3 | 1.092 | 2 |
16679 | 84 | HB3 | 1.622 | 2 |
16692 | 63 | HB3 | 1.694 | 2 |
16719 | 17 | HB3 | 1.739 | 2 |
16767 | 18 | HB3 | 0.879 | 2 |
16807 | 123 | HB3 | 1.606 | 2 |
16812 | 3 | HB3 | 1.134 | 2 |
16813 | 20 | HB3 | 1.017 | 2 |
16872 | 74 | HB3 | 1.457 | 2 |
16914 | 17 | HB3 | 1.643 | 2 |
16934 | 72 | HB3 | 1.648 | 2 |
16946 | 98 | HB3 | 1.682 | 2 |
17018 | 55 | HB3 | 1.419 | 2 |
17019 | 55 | HB3 | 1.399 | 2 |
17071 | 21 | HB3 | -0.14 | 2 |
17092 | 76 | HB3 | 1.673 | 2 |
17104 | 20 | HB3 | 0.965 | 2 |
17131 | 110 | HB3 | 1.70 | 2 |
17133 | 23 | HB3 | 1.402 | 2 |
17191 | 41 | HB3 | 1.376 | 2 |
17226 | 45 | HB3 | 1.479 | 2 |
17226 | 91 | HB3 | 1.716 | 2 |
17233 | 58 | HB3 | 1.157 | 2 |
17303 | 47 | HB3 | 1.67 | 1 |
17388 | 86 | HB3 | 1.347 | 2 |
17392 | 85 | HB3 | 1.482 | 1 |
17416 | 182 | HB3 | 1.413 | 2 |
17456 | 5 | HB3 | 1.728 | 1 |
17477 | 119 | HB3 | 1.384 | 2 |
17481 | 37 | HB3 | -0.212 | 2 |
17524 | 96 | HB3 | 1.415 | 2 |
17551 | 47 | HB3 | 1.359 | 2 |
17582 | 55 | HB3 | 1.739 | 2 |
17586 | 38 | HB3 | 1.434 | 2 |
17597 | 33 | HB3 | 1.10 | 2 |
17683 | 101 | HB3 | 1.286 | 2 |
17723 | 80 | HB3 | 0.981 | 2 |
17741 | 83 | HB3 | 0.697 | 2 |
17747 | 93 | HB3 | 1.420 | 2 |
17767 | 47 | HB3 | 1.730 | 2 |
17799 | 97 | HB3 | 1.650 | 2 |
17806 | 113 | HB3 | 1.658 | 2 |
17806 | 75 | HB3 | 1.609 | 2 |
17900 | 34 | HB3 | 0.719 | 1 |
17911 | 33 | HB3 | 0.502 | 2 |
17934 | 122 | HB3 | 1.0900 | 2 |
18047 | 88 | HB3 | 1.735 | 2 |
18053 | 35 | HB3 | 1.676 | 2 |
18130 | 101 | HB3 | 1.340 | 2 |
18145 | 33 | HB3 | 1.485 | 2 |
18167 | 144 | HB3 | 1.146 | 2 |
18415 | 10 | HB3 | 1.234 | 2 |
18415 | 16 | HB3 | 0.495 | 2 |
18415 | 87 | HB3 | 0.754 | 2 |
18507 | 69 | HB3 | 1.082 | 2 |
18547 | 61 | HB3 | 1.59 | 2 |
18555 | 80 | HB3 | 1.433 | 2 |
18624 | 107 | HB3 | 1.5980 | 2 |
18624 | 40 | HB3 | 1.1710 | 2 |
18627 | 55 | HB3 | 1.442 | 2 |
18637 | 151 | HB3 | 1.434 | 2 |
18662 | 12 | HB3 | 1.54 | 2 |
18904 | 136 | HB3 | 1.279 | |
18919 | 63 | HB3 | 0.555 | |
18982 | 12 | HB3 | 0.779 | 1 |
18994 | 99 | HB3 | 1.741 | 2 |
19160 | 52 | HB3 | 1.425 | 2 |
19204 | 10 | HB3 | 1.585 | |
19233 | 21 | HB3 | 1.219 | 2 |
19234 | 21 | HB3 | 1.060 | 2 |
19297 | 21 | HB3 | 1.219 | 2 |
19366 | 64 | HB3 | 1.587 | 2 |
19398 | 40 | HB3 | 1.733 | 2 |
19417 | 65 | HB3 | 1.279 | 2 |
19497 | 41 | HB3 | 1.140 | 2 |
19617 | 25 | HB3 | 1.627 | 2 |
19628 | 31 | HB3 | 1.727 | |
19654 | 146 | HB3 | 1.591 | |
19727 | 47 | HB3 | 1.110 | |
19791 | 9 | HB3 | 0.289 | 2 |
19843 | 47 | HB3 | 1.341 | |
19921 | 58 | HB3 | 1.02 | 1 |
19921 | 73 | HB3 | 1.46 | 1 |
19928 | 137 | HB3 | 1.001 | 2 |
19955 | 91 | HB3 | 0.970 | 1 |
19957 | 83 | HB3 | 1.378 | 1 |
25067 | 102 | HB3 | 1.729 | 2 |
25087 | 45 | HB3 | 1.233 | 2 |
25153 | 58 | HB3 | 1.545 | |
25175 | 18 | HB3 | 1.283 | 2 |
25294 | 111 | HB3 | 1.723 | |
25342 | 113 | HB3 | 1.712 | 2 |
25380 | 53 | HB3 | 1.2040 | 1 |
25400 | 112 | HB3 | 1.626 | 2 |
25400 | 127 | HB3 | 1.136 | 2 |
25423 | 7 | HB3 | 1.7290 | |
25508 | 74 | HB3 | 1.665 | 2 |
25540 | 9 | HB3 | 0.246 | 2 |
25556 | 155 | HB3 | 1.74 | 2 |
25567 | 113 | HB3 | 1.683 | |
25584 | 9 | HB3 | 1.158 | 2 |
25600 | 25 | HB3 | 1.626 | |
25640 | 46 | HB3 | 0.616 | 2 |
25660 | 82 | HB3 | 0.423 | 1 |
25734 | 34 | HB3 | 1.739 | 1 |
25798 | 108 | HB3 | 1.014 | 1 |
25798 | 51 | HB3 | 1.116 | 1 |
25809 | 63 | HB3 | 1.467 | |
25819 | 25 | HB3 | 1.626 | |
26562 | 23 | HB3 | 1.6832 | 2 |
26687 | 65 | HB3 | 1.673 | 1 |
26870 | 19 | HB3 | 0.928 | 2 |
26909 | 130 | HB3 | 0.998 | 2 |
27081 | 132 | HB3 | 1.548 | 2 |
27254 | 46 | HB3 | 1.637 | 2 |
27284 | 6 | HB3 | 1.612 | |
27732 | 88 | HB3 | 1.6860 | 1 |
27852 | 139 | HB3 | 1.317 | 2 |
27853 | 139 | HB3 | 1.306 | 2 |
28132 | 99 | HB3 | 1.591 | |
30020 | 67 | HB3 | 1.47 | 2 |
30196 | 65 | HB3 | 1.673 | 1 |
30201 | 54 | HB3 | 1.4880 | 2 |
30243 | 9 | HB3 | 1.126 | 2 |
30477 | 56 | HB3 | 1.429 | |
30518 | 7 | HB3 | 1.428 | 2 |
30610 | 146 | HB3 | 1.591 | |
30658 | 71 | HB3 | 1.596 | 2 |
30684 | 79 | HB3 | 1.144 | 2 |
30798 | 35 | HB3 | 1.6710 | 2 |
30807 | 59 | HB3 | 1.614 | |
30812 | 74 | HB3 | 0.812 | |
30814 | 35 | HB3 | 0.7600 | 2 |
34227 | 26 | HB3 | 1.501 | 2 |
34229 | 26 | HB3 | 1.501 | 2 |
34235 | 93 | HB3 | 1.553 | 1 |
34248 | 10 | HB3 | 1.679 | 2 |
34258 | 25 | HB3 | 1.537 | 2 |
34260 | 10 | HB3 | 1.19 | |
34326 | 250 | HB3 | 1.733 | |
34336 | 38 | HB3 | 1.741 | |
34468 | 27 | HB3 | 1.615 | 2 |
34498 | 52 | HB3 | 1.540 | 2 |
34575 | 71 | HB3 | 1.544 | 2 |
34708 | 37 | HB3 | 1.274 | 2 |
34747 | 49 | HB3 | 1.677 | 1 |
36299 | 145 | HB3 | 1.688 | 2 |
36473 | 101 | HB3 | 1.392 | |
50089 | 280 | HB3 | 1.614 | 2 |
50218 | 37 | HB3 | 0.970 | |
50507 | 69 | HB3 | 1.702 | 2 |
50594 | 40 | HB3 | 1.529 | 1 |
50771 | 67 | HB3 | 1.516 | 2 |
50772 | 67 | HB3 | 1.533 | 2 |
50789 | 57 | HB3 | 1.598 | 2 |
51075 | 39 | HB3 | 1.400 | 2 |
51077 | 75 | HB3 | 1.549 | 2 |
51078 | 54 | HB3 | 1.627 | 2 |
52087 | 7 | HB3 | 0.765 | 1 |