Average chemical shift: 2.993
Standard deviation: 0.379
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4035 | 64 | HB2 | 4.14 | 2 |
4158 | 108 | HB2 | 4.32 | 2 |
4777 | 65 | HB2 | 4.56 | 1 |
4830 | 120 | HB2 | 4.15 | 2 |
5239 | 76 | HB2 | 4.97 | 2 |
5745 | 39 | HB2 | 6.96 | 2 |
6131 | 56 | HB2 | 7.979 | 1 |
6142 | 142 | HB2 | 4.56 | 1 |
6868 | 37 | HB2 | 4.142 | 1 |
10236 | 84 | HB2 | 4.461 | 2 |
10237 | 84 | HB2 | 4.455 | 2 |
10238 | 130 | HB2 | 4.411 | 2 |
10239 | 139 | HB2 | 4.407 | 2 |
15375 | 49 | HB2 | 5.140 | 2 |
15578 | 70 | HB2 | 4.168 | 2 |
15765 | 32 | HB2 | 4.178 | 1 |
16119 | 178 | HB2 | 4.516 | 2 |
16849 | 49 | HB2 | 5.140 | 2 |
18122 | 75 | HB2 | 4.292 | 2 |
19586 | 2 | HB2 | 4.241 | 1 |
19834 | 112 | HB2 | 4.133 | |
19927 | 114 | HB2 | 4.230 | 2 |
26048 | 120 | HB2 | 4.862 | 1 |
27284 | 139 | HB2 | 4.374 | |
30043 | 115 | HB2 | 4.23 | 2 |
30584 | 129 | HB2 | 4.398 | 9 |
30858 | 27 | HB2 | 4.191 | |
50269 | 84 | HB2 | 4.15 | 9 |
50507 | 10 | HB2 | 4.199 | 2 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
79 | 82 | HB2 | 1.54 | 2 |
131 | 87 | HB2 | .58 | 2 |
169 | 82 | HB2 | 1.69 | 2 |
186 | 82 | HB2 | 1.39 | 2 |
260 | 82 | HB2 | 1.65 | 2 |
274 | 46 | HB2 | .67 | 2 |
345 | 87 | HB2 | .61 | 2 |
1170 | 46 | HB2 | 1.13 | 2 |
1170 | 82 | HB2 | .57 | 2 |
1171 | 46 | HB2 | .57 | 2 |
4019 | 82 | HB2 | 1.57 | 2 |
4087 | 96 | HB2 | 0.68 | 2 |
4092 | 129 | HB2 | 1.58 | 2 |
4186 | 50 | HB2 | 1.65 | 1 |
4189 | 46 | HB2 | 1.12 | 1 |
4189 | 82 | HB2 | 0.55 | 1 |
4249 | 67 | HB2 | 1.75 | 2 |
4291 | 76 | HB2 | 1.760 | 1 |
4360 | 71 | HB2 | 1.83 | 2 |
4381 | 73 | HB2 | 1.786 | 2 |
4414 | 80 | HB2 | 1.58 | 2 |
4437 | 19 | HB2 | 1.70 | 2 |
4478 | 42 | HB2 | 1.47 | 1 |
4633 | 69 | HB2 | 1.76 | |
4681 | 50 | HB2 | 1.63 | |
4681 | 50 | HB2 | 1.68 | |
4682 | 50 | HB2 | 1.65 | |
4682 | 50 | HB2 | 1.73 | |
4706 | 95 | HB2 | 1.637 | 1 |
4766 | 175 | HB2 | 1.55 | |
4777 | 80 | HB2 | 1.39 | 1 |
4786 | 118 | HB2 | 1.4 | 2 |
4790 | 76 | HB2 | 1.43 | 1 |
4797 | 143 | HB2 | 0.60 | 2 |
4797 | 163 | HB2 | 0.43 | 2 |
4818 | 143 | HB2 | 1.16 | 1 |
4825 | 99 | HB2 | 1.79 | 2 |
4860 | 118 | HB2 | 1.08 | 2 |
4893 | 100 | HB2 | 1.66 | 2 |
4900 | 72 | HB2 | 1.66 | 2 |
4911 | 46 | HB2 | 0.6900 | 1 |
4931 | 46 | HB2 | 0.6500 | 1 |
4965 | 41 | HB2 | 1.47 | 2 |
4985 | 99 | HB2 | 0.48 | 2 |
5014 | 96 | HB2 | 0.478 | 1 |
5189 | 74 | HB2 | 1.80 | 2 |
5223 | 56 | HB2 | 1.547 | |
5224 | 24 | HB2 | 1.85 | 2 |
5231 | 64 | HB2 | 1.164 | 2 |
5237 | 24 | HB2 | 1.844 | 2 |
5247 | 50 | HB2 | 1.825 | 2 |
5269 | 34 | HB2 | 1.38 | 1 |
5284 | 47 | HB2 | 1.09 | 1 |
5285 | 47 | HB2 | 1.07 | 1 |
5372 | 46 | HB2 | 1.06 | 1 |
5372 | 82 | HB2 | 0.54 | 1 |
5388 | 27 | HB2 | 1.32 | 2 |
5406 | 82 | HB2 | 0.579 | 2 |
5482 | 96 | HB2 | 1.78 | 1 |
5505 | 87 | HB2 | 1.51 | 2 |
5623 | 38 | HB2 | 1.722 | 1 |
5625 | 20 | HB2 | 1.55 | 2 |
5627 | 182 | HB2 | 1.30 | 1 |
5628 | 161 | HB2 | 1.73 | 2 |
5683 | 10 | HB2 | 1.358 | |
5780 | 71 | HB2 | 1.62 | 1 |
5783 | 63 | HB2 | 1.573 | 2 |
5786 | 79 | HB2 | 1.77 | 1 |
5794 | 56 | HB2 | 1.155 | 2 |
5822 | 2 | HB2 | 1.66 | 2 |
5823 | 120 | HB2 | 1.66 | 2 |
5872 | 20 | HB2 | 1.55 | 1 |
5880 | 39 | HB2 | 0.881 | 1 |
5907 | 116 | HB2 | 1.77 | 2 |
5912 | 85 | HB2 | 1.789 | 2 |
5937 | 11 | HB2 | 1.748 | 1 |
6007 | 20 | HB2 | 1.51 | 2 |
6007 | 26 | HB2 | 1.20 | 2 |
6008 | 20 | HB2 | 1.51 | 2 |
6032 | 48 | HB2 | 0.17 | |
6051 | 54 | HB2 | 1.498 | 1 |
6096 | 46 | HB2 | 1.06 | 2 |
6134 | 22 | HB2 | 1.11 | 1 |
6134 | 37 | HB2 | 1.57 | 1 |
6138 | 97 | HB2 | 1.585 | 2 |
6159 | 11 | HB2 | 1.572 | 1 |
6225 | 9 | HB2 | 1.080 | 2 |
6230 | 41 | HB2 | 0.91 | 2 |
6230 | 41 | HB2 | 0.95 | 2 |
6231 | 17 | HB2 | 1.05 | 1 |
6253 | 54 | HB2 | 1.759 | 1 |
6255 | 29 | HB2 | 1.767 | 2 |
6283 | 51 | HB2 | 0.34 | 1 |
6321 | 37 | HB2 | 1.805 | 1 |
6338 | 62 | HB2 | 1.706 | 2 |
6340 | 40 | HB2 | 1.346 | 2 |
6341 | 105 | HB2 | 1.648 | 2 |
6343 | 83 | HB2 | 1.77 | 2 |
6344 | 126 | HB2 | 1.46 | 2 |
6365 | 37 | HB2 | 1.30 | 1 |
6369 | 34 | HB2 | 0.67 | 1 |
6391 | 99 | HB2 | 1.82 | 1 |
6400 | 45 | HB2 | 1.381 | 2 |
6439 | 109 | HB2 | 1.44 | 2 |
6519 | 71 | HB2 | 1.280 | 2 |
6603 | 95 | HB2 | 1.776 | 2 |
6605 | 114 | HB2 | 1.44 | |
6634 | 20 | HB2 | 1.62 | 2 |
6686 | 20 | HB2 | 0.68 | |
6724 | 64 | HB2 | 1.290 | |
6759 | 75 | HB2 | 1.6800 | |
6777 | 17 | HB2 | 1.057 | 1 |
6786 | 114 | HB2 | 1.658 | 1 |
6786 | 179 | HB2 | 1.756 | 1 |
6787 | 132 | HB2 | 1.13 | 2 |
6840 | 149 | HB2 | 0.53 | 1 |
6847 | 95 | HB2 | 1.770 | 2 |
6912 | 11 | HB2 | 1.59 | 1 |
6932 | 107 | HB2 | 1.59 | 2 |
6966 | 28 | HB2 | 1.82 | 2 |
6973 | 16 | HB2 | 1.24 | |
6973 | 56 | HB2 | 1.49 | |
7020 | 10 | HB2 | 1.641 | 2 |
7110 | 85 | HB2 | 1.48 | |
7114 | 279 | HB2 | 1.80 | 2 |
7129 | 60 | HB2 | 1.281 | 2 |
7178 | 68 | HB2 | 1.43 | 2 |
7228 | 110 | HB2 | 1.41 | 2 |
7253 | 3 | HB2 | 1.84 | 2 |
7266 | 57 | HB2 | 1.71 | 2 |
7285 | 78 | HB2 | 1.56 | 2 |
7395 | 68 | HB2 | 1.058 | |
10035 | 103 | HB2 | 1.714 | 2 |
10099 | 54 | HB2 | 1.394 | 2 |
10107 | 107 | HB2 | 1.628 | 2 |
10136 | 14 | HB2 | 1.123 | 2 |
10194 | 16 | HB2 | 1.243 | 2 |
10250 | 20 | HB2 | 1.622 | 2 |
10253 | 87 | HB2 | 1.242 | 2 |
10301 | 67 | HB2 | 1.149 | 2 |
10312 | 87 | HB2 | 1.343 | 2 |
10316 | 17 | HB2 | 1.305 | 2 |
10318 | 129 | HB2 | 0.851 | 2 |
11086 | 121 | HB2 | 1.697 | 2 |
11089 | 100 | HB2 | 0.768 | 2 |
11113 | 101 | HB2 | 1.837 | 2 |
11148 | 89 | HB2 | 1.669 | 2 |
11154 | 16 | HB2 | 1.096 | 2 |
11192 | 80 | HB2 | 1.027 | 2 |
11193 | 45 | HB2 | 0.771 | 2 |
11235 | 81 | HB2 | 1.442 | 2 |
11281 | 18 | HB2 | 1.623 | 2 |
11289 | 56 | HB2 | 1.573 | 2 |
11348 | 35 | HB2 | 1.662 | 2 |
11423 | 74 | HB2 | 1.845 | 2 |
11468 | 100 | HB2 | 1.503 | 2 |
11487 | 69 | HB2 | 1.649 | 2 |
11531 | 8 | HB2 | 1.795 | |
15048 | 160 | HB2 | 1.482 | 2 |
15084 | 47 | HB2 | 1.210 | 2 |
15275 | 33 | HB2 | 1.82 | 2 |
15281 | 33 | HB2 | 1.837 | 2 |
15337 | 34 | HB2 | 1.809 | 2 |
15415 | 41 | HB2 | 0.97 | 2 |
15419 | 31 | HB2 | 1.130 | 2 |
15439 | 15 | HB2 | 1.516 | |
15458 | 56 | HB2 | 1.383 | 1 |
15530 | 72 | HB2 | 1.24 | 1 |
15558 | 119 | HB2 | 1.361 | 2 |
15598 | 93 | HB2 | 1.255 | 2 |
15707 | 99 | HB2 | 0.855 | 2 |
15776 | 22 | HB2 | 0.44 | 2 |
15785 | 54 | HB2 | 1.69 | |
15797 | 117 | HB2 | 1.624 | 2 |
15798 | 117 | HB2 | 1.655 | 2 |
15807 | 123 | HB2 | 1.256 | 2 |
15810 | 43 | HB2 | 1.725 | 2 |
15816 | 107 | HB2 | 1.57 | 2 |
15816 | 111 | HB2 | 1.85 | 2 |
15828 | 45 | HB2 | 1.121 | 2 |
15854 | 47 | HB2 | 1.380 | 2 |
15881 | 45 | HB2 | 1.769 | 2 |
15914 | 126 | HB2 | 1.676 | 2 |
15935 | 21 | HB2 | 1.247 | 2 |
15952 | 54 | HB2 | 1.69 | |
15988 | 102 | HB2 | 1.544 | 2 |
16006 | 68 | HB2 | 1.287 | 2 |
16030 | 98 | HB2 | 1.26 | 2 |
16037 | 51 | HB2 | 1.083 | 2 |
16063 | 50 | HB2 | 0.4200 | |
16098 | 77 | HB2 | 1.660 | 2 |
16141 | 55 | HB2 | 1.83 | |
16231 | 31 | HB2 | 1.681 | 1 |
16266 | 22 | HB2 | 1.266 | 2 |
16306 | 33 | HB2 | 1.31 | 1 |
16307 | 33 | HB2 | 1.42 | 2 |
16307 | 83 | HB2 | 1.84 | 1 |
16428 | 64 | HB2 | 1.617 | 2 |
16428 | 99 | HB2 | 0.743 | 2 |
16442 | 40 | HB2 | 1.350 | 2 |
16443 | 20 | HB2 | 0.367 | 1 |
16446 | 34 | HB2 | 1.659 | 2 |
16606 | 75 | HB2 | 0.159 | 2 |
16607 | 75 | HB2 | 1.240 | 2 |
16662 | 9 | HB2 | 1.783 | 2 |
16665 | 9 | HB2 | 1.739 | 2 |
16677 | 117 | HB2 | 1.603 | 2 |
16677 | 86 | HB2 | 1.211 | 2 |
16767 | 18 | HB2 | 1.714 | 2 |
16812 | 3 | HB2 | 1.577 | 2 |
16841 | 96 | HB2 | 1.74 | 1 |
16863 | 48 | HB2 | 1.291 | 2 |
16914 | 17 | HB2 | 1.799 | |
16928 | 99 | HB2 | 1.785 | 2 |
17007 | 48 | HB2 | 1.005 | 2 |
17022 | 110 | HB2 | 0.329 | 2 |
17031 | 80 | HB2 | 1.45 | 2 |
17066 | 99 | HB2 | 1.706 | 2 |
17071 | 21 | HB2 | 1.76 | 2 |
17092 | 76 | HB2 | 1.812 | 2 |
17131 | 110 | HB2 | 1.85 | 2 |
17136 | 100 | HB2 | 1.542 | 2 |
17173 | 10 | HB2 | 1.180 | 2 |
17264 | 89 | HB2 | 1.643 | 2 |
17302 | 47 | HB2 | 1.48 | 1 |
17303 | 47 | HB2 | 1.21 | 1 |
17388 | 86 | HB2 | 1.595 | 2 |
17393 | 85 | HB2 | 1.4804 | 2 |
17416 | 182 | HB2 | 1.062 | 2 |
17428 | 156 | HB2 | 1.0900 | 2 |
17467 | 113 | HB2 | 1.3020 | 2 |
17481 | 37 | HB2 | 1.265 | 2 |
17524 | 96 | HB2 | 1.076 | 2 |
17576 | 55 | HB2 | 1.723 | 2 |
17613 | 79 | HB2 | 1.042 | 2 |
17653 | 14 | HB2 | 1.58 | 2 |
17723 | 80 | HB2 | 1.842 | 2 |
17742 | 83 | HB2 | 0.655 | 2 |
17747 | 93 | HB2 | 1.731 | 2 |
17755 | 124 | HB2 | 1.5100 | 2 |
17767 | 47 | HB2 | 1.350 | 2 |
17777 | 98 | HB2 | 1.502 | 2 |
17799 | 135 | HB2 | 1.764 | 2 |
17799 | 97 | HB2 | 1.600 | 2 |
17806 | 75 | HB2 | 1.609 | 2 |
17904 | 87 | HB2 | 0.630 | |
17960 | 9 | HB2 | 1.506 | 2 |
17973 | 26 | HB2 | 1.62 | 2 |
18000 | 155 | HB2 | 1.08 | 2 |
18000 | 26 | HB2 | 1.55 | 2 |
18011 | 133 | HB2 | 1.850 | 2 |
18027 | 65 | HB2 | 1.812 | 1 |
18028 | 65 | HB2 | 1.824 | 1 |
18053 | 35 | HB2 | 1.766 | 2 |
18210 | 68 | HB2 | 1.187 | 1 |
18210 | 95 | HB2 | 1.571 | 1 |
18238 | 104 | HB2 | 1.410 | 2 |
18238 | 151 | HB2 | 1.552 | 2 |
18250 | 104 | HB2 | 1.234 | 2 |
18337 | 79 | HB2 | 1.350 | 2 |
18374 | 34 | HB2 | 1.829 | 2 |
18374 | 40 | HB2 | 1.632 | 2 |
18415 | 16 | HB2 | 1.620 | 2 |
18469 | 7 | HB2 | 1.694 | 2 |
18508 | 69 | HB2 | 1.027 | 2 |
18547 | 61 | HB2 | 1.59 | 2 |
18624 | 107 | HB2 | 1.3150 | 2 |
18624 | 40 | HB2 | 1.6940 | 2 |
18664 | 74 | HB2 | 1.657 | 1 |
18883 | 9 | HB2 | 1.586 | |
19053 | 133 | HB2 | 0.402 | 2 |
19233 | 21 | HB2 | 1.776 | 2 |
19234 | 21 | HB2 | 1.820 | 2 |
19297 | 21 | HB2 | 1.242 | 2 |
19474 | 89 | HB2 | 0.766 | |
19518 | 103 | HB2 | 1.533 | 1 |
19562 | 80 | HB2 | 1.4750 | 2 |
19628 | 31 | HB2 | 1.620 | |
19694 | 36 | HB2 | 1.4780 | |
19727 | 47 | HB2 | 1.570 | |
19791 | 9 | HB2 | 1.143 | 2 |
19921 | 58 | HB2 | 1.46 | 1 |
19939 | 64 | HB2 | 1.748 | 2 |
19952 | 170 | HB2 | 1.786 | 1 |
19954 | 10 | HB2 | 1.181 | |
19957 | 83 | HB2 | 0.234 | 1 |
25098 | 84 | HB2 | 1.523 | 2 |
25175 | 18 | HB2 | 1.783 | 2 |
25253 | 65 | HB2 | 1.803 | 1 |
25380 | 53 | HB2 | 1.2040 | 1 |
25423 | 7 | HB2 | 1.2540 | |
25453 | 82 | HB2 | 0.298 | 2 |
25485 | 172 | HB2 | 1.345 | 2 |
25488 | 173 | HB2 | 1.311 | 2 |
25489 | 173 | HB2 | 1.311 | 2 |
25508 | 74 | HB2 | 1.561 | 2 |
25540 | 9 | HB2 | 1.117 | 2 |
25556 | 155 | HB2 | 1.26 | 2 |
25556 | 40 | HB2 | 1.66 | 2 |
25584 | 9 | HB2 | 0.313 | 2 |
25640 | 46 | HB2 | 1.677 | 2 |
25703 | 11 | HB2 | 1.504 | 2 |
25734 | 34 | HB2 | 1.277 | 1 |
25796 | 14 | HB2 | 1.7215 | 2 |
25799 | 108 | HB2 | 1.017 | 1 |
25799 | 51 | HB2 | 1.104 | 1 |
25834 | 92 | HB2 | 1.808 | 1 |
25859 | 98 | HB2 | 1.720 | 2 |
25907 | 82 | HB2 | 0.559 | |
26333 | 138 | HB2 | 1.291 | 2 |
26333 | 185 | HB2 | 1.448 | 2 |
26687 | 65 | HB2 | 1.673 | 1 |
26776 | 92 | HB2 | 1.391 | 2 |
26777 | 92 | HB2 | 1.386 | 2 |
26963 | 57 | HB2 | 0.709 | 2 |
27095 | 89 | HB2 | 1.590 | 2 |
27170 | 55 | HB2 | 1.78 | 1 |
27192 | 168 | HB2 | 1.838 | 1 |
27254 | 46 | HB2 | 0.584 | 2 |
27498 | 33 | HB2 | 1.094 | |
27506 | 93 | HB2 | 1.595 | 2 |
27573 | 48 | HB2 | 1.811 | 1 |
27666 | 124 | HB2 | 1.332 | 2 |
27925 | 83 | HB2 | 1.5780 | 2 |
27977 | 73 | HB2 | 1.692 | 2 |
27989 | 4 | HB2 | 1.760 | 2 |
28046 | 168 | HB2 | 1.818 | 2 |
28047 | 168 | HB2 | 1.844 | 2 |
28052 | 56 | HB2 | 1.46105 | 2 |
30020 | 57 | HB2 | 1.75 | 2 |
30020 | 67 | HB2 | 1.43 | 2 |
30196 | 65 | HB2 | 1.673 | 1 |
30205 | 52 | HB2 | 1.513 | 2 |
30243 | 9 | HB2 | 0.308 | 2 |
30313 | 65 | HB2 | 1.029 | 2 |
30322 | 181 | HB2 | 1.118 | 1 |
30478 | 56 | HB2 | 1.391 | |
30570 | 93 | HB2 | 1.644 | 1 |
30638 | 101 | HB2 | 1.448 | |
30684 | 79 | HB2 | 1.835 | 2 |
30691 | 19 | HB2 | 1.0870 | 2 |
30798 | 35 | HB2 | 0.7520 | 2 |
30800 | 5 | HB2 | 1.4080 | |
30814 | 35 | HB2 | 1.6520 | 2 |
34200 | 71 | HB2 | 1.704 | 1 |
34226 | 90 | HB2 | 1.753 | 1 |
34227 | 26 | HB2 | -0.463 | 2 |
34229 | 26 | HB2 | -0.463 | 2 |
34235 | 93 | HB2 | 1.702 | 1 |
34326 | 250 | HB2 | 0.286 | |
34394 | 74 | HB2 | 1.850 | 2 |
34395 | 74 | HB2 | 1.845 | 2 |
34630 | 27 | HB2 | 1.747 | |
34630 | 73 | HB2 | 1.625 | |
36085 | 59 | HB2 | 1.6983 | |
50218 | 37 | HB2 | 1.801 | |
50412 | 85 | HB2 | 1.6087 | 2 |
50594 | 40 | HB2 | 1.529 | 1 |
50596 | 190 | HB2 | 1.157 | 2 |
50771 | 67 | HB2 | -0.129 | 2 |
50772 | 67 | HB2 | -0.102 | 2 |
50789 | 57 | HB2 | 1.747 | 2 |
51379 | 104 | HB2 | 1.712 | 2 |
51379 | 82 | HB2 | 0.538 | 2 |
51470 | 21 | HB2 | 1.667 | 2 |
51471 | 21 | HB2 | 1.706 | 2 |
51495 | 72 | HB2 | 1.846 | 2 |
52087 | 7 | HB2 | 1.207 | 1 |