Average chemical shift: 1.994
Standard deviation: 0.333
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
274 | 80 | HB3 | 12.85 | 1 |
285 | 80 | HB3 | 12.85 | 1 |
317 | 80 | HB3 | 12.1 | 2 |
337 | 56 | HB3 | 3.1 | 2 |
923 | 85 | HB3 | 12.94 | 1 |
1171 | 80 | HB3 | 12.28 | 1 |
1719 | 85 | HB3 | 12.4 | 1 |
1734 | 61 | HB3 | 5.26 | 2 |
1736 | 80 | HB3 | 11.97 | 2 |
2488 | 89 | HB3 | 4.96 | 2 |
4249 | 1 | HB3 | 3.15 | 2 |
4291 | 11 | HB3 | 3.038 | 1 |
4777 | 78 | HB3 | 11.26 | 1 |
4801 | 106 | HB3 | 5.73 | 2 |
4801 | 106 | HB3 | 5.98 | 2 |
4825 | 24 | HB3 | 3.02 | 2 |
4829 | 18 | HB3 | 3.048 | 2 |
5049 | 105 | HB3 | 3.02 | 2 |
5172 | 50 | HB3 | 12.39 | 2 |
5269 | 66 | HB3 | 3.36 | 2 |
5333 | 11 | HB3 | 3.08 | 1 |
5677 | 47 | HB3 | 3.075 | 2 |
5689 | 116 | HB3 | 3.090 | 1 |
5770 | 14 | HB3 | 3.11 | 1 |
6049 | 3 | HB3 | 4.360 | |
6793 | 76 | HB3 | 3.41 | 2 |
7079 | 74 | HB3 | 3.096 | 2 |
7122 | 158 | HB3 | 3.03 | 2 |
10311 | 104 | HB3 | 3.008 | 2 |
11298 | 22 | HB3 | 3.042 | 2 |
15057 | 91 | HB3 | 3.202 | 1 |
15339 | 1 | HB3 | 3.049 | 2 |
15791 | 1 | HB3 | 3.140 | 2 |
15847 | 1 | HB3 | 3.086 | 2 |
15850 | 1 | HB3 | 3.136 | 2 |
15945 | 51 | HB3 | 3.2190 | 2 |
16161 | 37 | HB3 | 3.149 | 2 |
16306 | 65 | HB3 | 4.09 | 1 |
16307 | 65 | HB3 | 4.12 | 1 |
17092 | 11 | HB3 | 3.072 | 1 |
17161 | 1 | HB3 | 3.06 | 1 |
17226 | 77 | HB3 | 3.395 | 2 |
17512 | 19 | HB3 | 3.47 | |
17693 | 10 | HB3 | 4.105 | 2 |
18018 | 89 | HB3 | 3.122 | 2 |
18439 | 110 | HB3 | 3.3130 | 2 |
18565 | 47 | HB3 | 3.136 | |
19268 | 124 | HB3 | 3.164 | 2 |
19417 | 75 | HB3 | 3.174 | 2 |
19738 | 110 | HB3 | 3.3130 | 2 |
19985 | 59 | HB3 | 3.350 | 2 |
25243 | 17 | HB3 | 3.017 | |
25386 | 21 | HB3 | 3.082 | 2 |
25588 | 109 | HB3 | 3.498 | 2 |
26509 | 35 | HB3 | 2.995 | 1 |
27677 | 177 | HB3 | 3.0040 | 2 |
27869 | 48 | HB3 | 4.280 | 2 |
30206 | 95 | HB3 | 3.1950 | 2 |
50509 | 3 | HB3 | 3.012 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
131 | 85 | HB3 | -2.43 | 1 |
227 | 85 | HB3 | .14 | 2 |
228 | 89 | HB3 | .2 | 2 |
229 | 86 | HB3 | .23 | 2 |
286 | 80 | HB3 | -.2 | 1 |
316 | 80 | HB3 | .19 | 2 |
336 | 80 | HB3 | .19 | 2 |
345 | 85 | HB3 | -2.43 | 1 |
385 | 29 | HB3 | .98 | 1 |
443 | 29 | HB3 | .94 | 2 |
569 | 105 | HB3 | .44 | 2 |
1093 | 105 | HB3 | .97 | 2 |
1170 | 80 | HB3 | .2 | 2 |
1333 | 61 | HB3 | .89 | 2 |
1720 | 85 | HB3 | .28 | 2 |
1770 | 105 | HB3 | -.92 | 1 |
1771 | 105 | HB3 | -.97 | 1 |
2368 | 80 | HB3 | -2.36 | 1 |
2858 | 105 | HB3 | -.91 | 1 |
4033 | 72 | HB3 | 0.86 | 1 |
4034 | 72 | HB3 | 0.72 | 2 |
4079 | 62 | HB3 | 0.28 | 2 |
4138 | 23 | HB3 | 0.51 | 2 |
4150 | 86 | HB3 | 0.677 | |
4153 | 71 | HB3 | 0.91 | 2 |
4184 | 69 | HB3 | 0.74 | 1 |
4188 | 92 | HB3 | -0.10 | 2 |
4189 | 80 | HB3 | -2.64 | 1 |
4190 | 20 | HB3 | 0.98 | 2 |
4271 | 84 | HB3 | 0.560 | 1 |
4288 | 73 | HB3 | 0.78 | 1 |
4291 | 69 | HB3 | 0.705 | 1 |
4318 | 42 | HB3 | 0.75 | 2 |
4370 | 30 | HB3 | 0.86 | 2 |
4401 | 82 | HB3 | 0.85 | 1 |
4471 | 78 | HB3 | -0.06 | 1 |
4553 | 31 | HB3 | 0.59 | 2 |
4562 | 105 | HB3 | 0.45 | 2 |
4578 | 61 | HB3 | -0.94 | 1 |
4641 | 44 | HB3 | 0.9110 | |
4717 | 101 | HB3 | 0.87 | |
4726 | 71 | HB3 | 0.99 | |
4800 | 106 | HB3 | 0.19 | 2 |
4800 | 106 | HB3 | 0.27 | 2 |
4871 | 141 | HB3 | 0.68 | 2 |
4871 | 99 | HB3 | 0.79 | 2 |
4942 | 24 | HB3 | 0.43 | 2 |
4943 | 105 | HB3 | -0.98 | 2 |
4943 | 105 | HB3 | -0.99 | 2 |
4969 | 83 | HB3 | 0.994 | 2 |
4980 | 30 | HB3 | 0.81 | 1 |
5048 | 50 | HB3 | 0.94 | 1 |
5055 | 73 | HB3 | 0.577 | 2 |
5068 | 106 | HB3 | 0.44 | 2 |
5069 | 106 | HB3 | 0.46 | 2 |
5086 | 59 | HB3 | -2.59 | 2 |
5198 | 10 | HB3 | 0.88 | 1 |
5222 | 83 | HB3 | -0.31 | 2 |
5304 | 56 | HB3 | -0.88 | 1 |
5304 | 77 | HB3 | 0.75 | 2 |
5319 | 50 | HB3 | 0.96 | 1 |
5333 | 69 | HB3 | 0.57 | 2 |
5345 | 42 | HB3 | 0.000 | 2 |
5352 | 171 | HB3 | 0.35 | 2 |
5372 | 80 | HB3 | -0.27 | 1 |
5389 | 70 | HB3 | 0.16 | 2 |
5406 | 80 | HB3 | -1.88 | 2 |
5407 | 65 | HB3 | 0.839 | |
5455 | 20 | HB3 | 0.98 | 2 |
5480 | 72 | HB3 | 0.680 | 2 |
5512 | 107 | HB3 | 0.229 | 2 |
5537 | 40 | HB3 | 0.69 | 1 |
5564 | 72 | HB3 | 0.81 | 2 |
5578 | 49 | HB3 | 0.98 | |
5579 | 49 | HB3 | 0.97 | |
5595 | 76 | HB3 | 0.91 | 2 |
5597 | 50 | HB3 | -2.70 | 1 |
5625 | 11 | HB3 | 0.99 | 2 |
5625 | 69 | HB3 | -1.58 | 2 |
5803 | 106 | HB3 | 0.45 | 2 |
5804 | 106 | HB3 | 0.46 | 2 |
5844 | 15 | HB3 | 0.912 | 2 |
5981 | 37 | HB3 | 0.722 | 2 |
5998 | 97 | HB3 | 0.65 | 2 |
6208 | 39 | HB3 | 0.96 | 2 |
6634 | 69 | HB3 | -1.54 | 2 |
6658 | 8 | HB3 | 0.361 | 2 |
6966 | 71 | HB3 | 0.05 | 9 |
7054 | 120 | HB3 | 0.91 | 2 |
7112 | 56 | HB3 | -0.443 | 2 |
7159 | 105 | HB3 | 0.46 | |
7160 | 105 | HB3 | 0.44 | |
7218 | 78 | HB3 | -0.409 | |
7296 | 61 | HB3 | -0.904 | 2 |
10027 | 23 | HB3 | 0.474 | 1 |
10039 | 10 | HB3 | 0.925 | 2 |
10044 | 32 | HB3 | 0.929 | 2 |
10282 | 22 | HB3 | 0.550 | 2 |
10293 | 22 | HB3 | 0.398 | 2 |
10312 | 14 | HB3 | 0.659 | 2 |
10335 | 84 | HB3 | 0.267 | 2 |
11001 | 162 | HB3 | 0.59 | 2 |
11097 | 96 | HB3 | 0.416 | 2 |
11106 | 72 | HB3 | 0.771 | 2 |
11118 | 86 | HB3 | 0.365 | 2 |
11123 | 35 | HB3 | 0.933 | 2 |
11212 | 77 | HB3 | -0.551 | 2 |
11251 | 122 | HB3 | 0.742 | 2 |
11256 | 67 | HB3 | 0.744 | 2 |
11327 | 33 | HB3 | 0.853 | 2 |
11346 | 30 | HB3 | 0.087 | 2 |
11450 | 58 | HB3 | 0.628 | 2 |
11484 | 32 | HB3 | 0.772 | 2 |
11549 | 4 | HB3 | 0.930 | 1 |
15079 | 40 | HB3 | 0.169 | 2 |
15084 | 107 | HB3 | 0.606 | 2 |
15085 | 51 | HB3 | 0.630 | 2 |
15554 | 74 | HB3 | 0.799 | 2 |
15574 | 31 | HB3 | 0.478 | 2 |
15597 | 113 | HB3 | 0.023 | 2 |
15598 | 113 | HB3 | 0.028 | 2 |
15661 | 100 | HB3 | 0.976 | 2 |
15757 | 28 | HB3 | 0.29 | 2 |
15763 | 63 | HB3 | 0.77 | 2 |
15765 | 45 | HB3 | -0.224 | 1 |
15778 | 32 | HB3 | 0.859 | 2 |
15854 | 107 | HB3 | 0.470 | 2 |
15896 | 85 | HB3 | -0.056 | 2 |
15897 | 85 | HB3 | -0.056 | 2 |
16216 | 74 | HB3 | 0.08 | 2 |
16305 | 84 | HB3 | 0.078 | 2 |
16563 | 45 | HB3 | 0.495 | 2 |
16681 | 57 | HB3 | 0.848 | 2 |
16743 | 40 | HB3 | 0.843 | 2 |
16764 | 72 | HB3 | 0.92 | 2 |
16779 | 25 | HB3 | 0.985 | |
16789 | 103 | HB3 | 0.270 | 2 |
17146 | 79 | HB3 | -2.11 | 2 |
17175 | 53 | HB3 | 0.97 | 2 |
17237 | 23 | HB3 | -0.053 | 1 |
17247 | 19 | HB3 | 0.123 | 2 |
17298 | 74 | HB3 | 0.92 | 2 |
17369 | 11 | HB3 | 0.904 | 2 |
17388 | 65 | HB3 | 0.355 | 2 |
17467 | 52 | HB3 | 0.8238 | 2 |
17509 | 128 | HB3 | 0.533 | 2 |
17530 | 38 | HB3 | 0.96 | 2 |
17551 | 71 | HB3 | 0.252 | 2 |
17714 | 45 | HB3 | 0.905 | 2 |
17720 | 3 | HB3 | -0.162 | 2 |
17780 | 40 | HB3 | 0.971 | 2 |
17904 | 85 | HB3 | -0.477 | |
18082 | 72 | HB3 | 0.775 | 2 |
18197 | 34 | HB3 | 0.863 | 2 |
18290 | 93 | HB3 | 0.705 | 2 |
18292 | 83 | HB3 | 0.436 | 2 |
18388 | 42 | HB3 | 0.736 | 2 |
18389 | 42 | HB3 | 0.951 | 2 |
18469 | 51 | HB3 | 0.970 | 2 |
18480 | 20 | HB3 | 0.669 | 2 |
18496 | 51 | HB3 | 0.970 | 2 |
18550 | 45 | HB3 | 0.899 | 2 |
18574 | 8 | HB3 | -0.417 | 2 |
18575 | 8 | HB3 | -0.425 | 2 |
18596 | 27 | HB3 | 0.28 | 2 |
18628 | 87 | HB3 | -0.010 | 2 |
18632 | 141 | HB3 | 0.946 | 2 |
18632 | 141 | HB3 | 0.947 | 2 |
18642 | 38 | HB3 | 0.1110 | 2 |
18765 | 79 | HB3 | 0.313 | 2 |
18898 | 27 | HB3 | 0.426 | 1 |
18953 | 104 | HB3 | 0.9020 | 2 |
18954 | 24 | HB3 | 0.489 | 1 |
18976 | 75 | HB3 | 0.994 | 2 |
18990 | 111 | HB3 | 0.1140 | 2 |
19268 | 44 | HB3 | 0.899 | 2 |
19290 | 72 | HB3 | 0.053 | 2 |
19315 | 38 | HB3 | 0.4200 | 2 |
19417 | 154 | HB3 | 0.313 | 2 |
19569 | 88 | HB3 | 0.597 | 2 |
19627 | 89 | HB3 | 0.719 | 2 |
19638 | 85 | HB3 | -27.312 | |
19687 | 66 | HB3 | 0.9 | 2 |
19713 | 3 | HB3 | -0.168 | 2 |
19737 | 25 | HB3 | 0.840 | 1 |
19749 | 11 | HB3 | 0.56 | 2 |
25016 | 34 | HB3 | 0.880 | |
25081 | 11 | HB3 | 0.974 | 2 |
25102 | 4 | HB3 | 0.933 | 2 |
25153 | 43 | HB3 | 0.787 | |
25251 | 52 | HB3 | 0.94 | 2 |
25326 | 109 | HB3 | 0.331 | |
25371 | 100 | HB3 | 0.698 | |
25385 | 27 | HB3 | 0.7103 | 2 |
25455 | 60 | HB3 | -0.514 | 2 |
25488 | 43 | HB3 | 0.691 | 2 |
25489 | 43 | HB3 | 0.691 | 2 |
25530 | 25 | HB3 | 0.569 | 2 |
25569 | 9 | HB3 | 0.986 | 2 |
25660 | 80 | HB3 | -2.814 | 1 |
25692 | 52 | HB3 | 0.94 | 2 |
25870 | 77 | HB3 | 0.975 | 1 |
25907 | 80 | HB3 | -0.227 | |
25961 | 95 | HB3 | 0.348 | |
25993 | 102 | HB3 | 0.919 | 2 |
26010 | 158 | HB3 | 0.709 | |
26780 | 78 | HB3 | 0.987 | 2 |
27081 | 72 | HB3 | -0.158 | 2 |
27259 | 40 | HB3 | 0.906 | 2 |
27264 | 40 | HB3 | 0.843 | 2 |
27313 | 11 | HB3 | 0.765 | 2 |
27313 | 45 | HB3 | 0.520 | 2 |
27518 | 84 | HB3 | 0.99 | 1 |
28046 | 35 | HB3 | 0.149 | 2 |
30118 | 54 | HB3 | -0.1674 | 2 |
30154 | 25 | HB3 | 0.569 | 2 |
30156 | 72 | HB3 | 0.828 | 2 |
30857 | 44 | HB3 | 0.923 | |
30967 | 81 | HB3 | 0.980 | |
34003 | 40 | HB3 | 0.904 | |
34041 | 47 | HB3 | 0.289 | 1 |
34041 | 64 | HB3 | 0.597 | 1 |
34058 | 64 | HB3 | 0.863 | 2 |
34064 | 55 | HB3 | -0.516 | 1 |
34121 | 118 | HB3 | 0.966 | 2 |
34235 | 16 | HB3 | 0.901 | 1 |
34399 | 110 | HB3 | 0.77 | 2 |
34643 | 50 | HB3 | 0.924 | 2 |
36085 | 77 | HB3 | 0.549 | |
36161 | 26 | HB3 | 0.7100 | 2 |
36473 | 110 | HB3 | 0.348 | |
50015 | 66 | HB3 | -0.277 | 1 |
50269 | 83 | HB3 | 0.10 | 2 |
51398 | 122 | HB3 | 0.759 | 2 |
51399 | 122 | HB3 | 0.858 | 2 |
51715 | 73 | HB3 | 0.965 | 1 |