Average chemical shift: 3.117
Standard deviation: 0.371
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
2950 | 58 | HB3 | 4.27 | 1 |
4849 | 37 | HB3 | 4.36 | 2 |
5991 | 61 | HB3 | 4.440 | 1 |
6365 | 81 | HB3 | 4.24 | 1 |
11298 | 48 | HB3 | 4.318 | 2 |
25681 | 30 | HB3 | 7.972 | |
26725 | 5 | HB3 | 4.747 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
2858 | 62 | HB3 | 1.89 | 1 |
2999 | 76 | HB3 | 1.6 | 2 |
3441 | 62 | HB3 | 1.82 | 1 |
4384 | 95 | HB3 | 1.511 | 2 |
4410 | 23 | HB3 | 1.02 | 2 |
4478 | 40 | HB3 | 1.69 | 2 |
4562 | 62 | HB3 | 1.86 | 1 |
4732 | 15 | HB3 | 1.84 | 2 |
4775 | 67 | HB3 | 1.27 | 1 |
4878 | 56 | HB3 | 1.30 | 2 |
4878 | 70 | HB3 | 1.36 | 2 |
4943 | 62 | HB3 | 1.84 | 1 |
5026 | 59 | HB3 | 1.80 | |
5068 | 63 | HB3 | 1.90 | 2 |
5072 | 155 | HB3 | 1.392 | 2 |
5181 | 69 | HB3 | 1.693 | 2 |
5204 | 57 | HB3 | 1.63 | 2 |
5205 | 24 | HB3 | 1.214 | |
5357 | 76 | HB3 | 1.81 | 2 |
5540 | 60 | HB3 | 2.0 | 2 |
5564 | 60 | HB3 | 1.95 | 2 |
5696 | 13 | HB3 | 1.65 | 2 |
5754 | 89 | HB3 | 1.199 | 1 |
5867 | 43 | HB3 | 1.813 | 1 |
5873 | 39 | HB3 | 1.93 | 2 |
5880 | 44 | HB3 | 1.753 | 1 |
5947 | 90 | HB3 | 1.663 | 2 |
5982 | 11 | HB3 | 1.870 | |
6159 | 38 | HB3 | 0.770 | 2 |
6222 | 17 | HB3 | 1.81 | 1 |
6231 | 23 | HB3 | 1.47 | 2 |
6372 | 133 | HB3 | 1.92 | 1 |
6444 | 99 | HB3 | 0.545 | |
6469 | 15 | HB3 | 1.937 | 2 |
6654 | 26 | HB3 | 1.13 | 2 |
6732 | 29 | HB3 | 1.245 | |
6794 | 31 | HB3 | 1.987 | 2 |
6855 | 54 | HB3 | 1.957 | 2 |
6999 | 89 | HB3 | 1.985 | 1 |
7103 | 162 | HB3 | 1.96 | 2 |
7160 | 62 | HB3 | 1.90 | |
7261 | 50 | HB3 | 1.857 | 2 |
7273 | 28 | HB3 | 1.488 | |
10068 | 135 | HB3 | 1.901 | 2 |
10115 | 27 | HB3 | 1.683 | 2 |
10122 | 19 | HB3 | 1.667 | 2 |
10131 | 48 | HB3 | 1.658 | 2 |
10240 | 53 | HB3 | 1.898 | 2 |
10255 | 29 | HB3 | 1.710 | 2 |
10311 | 32 | HB3 | 1.627 | 2 |
10314 | 28 | HB3 | 1.963 | 2 |
10317 | 42 | HB3 | 1.859 | 2 |
11088 | 40 | HB3 | 1.605 | 2 |
11093 | 20 | HB3 | 0.314 | 2 |
11108 | 46 | HB3 | 1.147 | 2 |
11217 | 43 | HB3 | 1.852 | 2 |
11224 | 43 | HB3 | 1.851 | 2 |
11228 | 47 | HB3 | 1.951 | 2 |
11531 | 22 | HB3 | 1.638 | |
11531 | 62 | HB3 | 0.257 | |
11549 | 8 | HB3 | 1.765 | 1 |
15040 | 7 | HB3 | 1.355 | |
15042 | 7 | HB3 | 1.101 | |
15051 | 7 | HB3 | 1.401 | |
15061 | 49 | HB3 | 1.826 | 2 |
15306 | 71 | HB3 | 1.528 | 2 |
15369 | 91 | HB3 | 1.706 | 2 |
15407 | 44 | HB3 | 1.935 | 2 |
15578 | 99 | HB3 | 1.777 | 2 |
15776 | 58 | HB3 | 1.99 | 2 |
15935 | 57 | HB3 | 1.991 | 2 |
16006 | 76 | HB3 | 1.704 | 2 |
16141 | 42 | HB3 | 1.78 | |
16643 | 44 | HB3 | 1.8720 | 2 |
16767 | 24 | HB3 | 1.597 | 2 |
16860 | 33 | HB3 | 1.68 | 2 |
17022 | 36 | HB3 | 1.510 | 2 |
17090 | 35 | HB3 | 1.866 | 2 |
17452 | 58 | HB3 | 2.0005 | 2 |
17553 | 86 | HB3 | 1.792 | 2 |
17755 | 115 | HB3 | 1.7250 | 2 |
18122 | 119 | HB3 | 1.86 | 2 |
18125 | 98 | HB3 | 2 | 2 |
18154 | 144 | HB3 | 1.940 | 2 |
18365 | 63 | HB3 | 1.95 | 2 |
18415 | 73 | HB3 | 1.271 | 2 |
18998 | 19 | HB3 | 1.875 | |
18999 | 19 | HB3 | 1.875 | |
19023 | 55 | HB3 | 1.471 | 2 |
19117 | 133 | HB3 | 1.950 | 2 |
19117 | 39 | HB3 | 1.742 | 2 |
19151 | 144 | HB3 | 1.940 | |
19152 | 144 | HB3 | 1.910 | |
19235 | 31 | HB3 | 1.040 | 2 |
19282 | 27 | HB3 | 1.292 | |
19297 | 29 | HB3 | 1.469 | 2 |
19421 | 30 | HB3 | 1.967 | 2 |
19458 | 128 | HB3 | -0.3776 | |
19461 | 54 | HB3 | 0.873 | 1 |
19463 | 54 | HB3 | 0.800 | 1 |
19504 | 6 | HB3 | 1.740 | 1 |
19508 | 16 | HB3 | 1.448 | 2 |
19775 | 114 | HB3 | 0.908 | 1 |
19807 | 110 | HB3 | 1.030 | 1 |
19807 | 119 | HB3 | 1.877 | 2 |
19988 | 88 | HB3 | 1.835 | |
21008 | 4 | HB3 | 1.849 | 2 |
21013 | 6 | HB3 | 2.000 | 2 |
25153 | 56 | HB3 | 1.996 | |
25350 | 71 | HB3 | 1.758 | 1 |
25437 | 114 | HB3 | 1.119 | |
25568 | 26 | HB3 | 1.019 | 2 |
25573 | 9 | HB3 | 1.9682 | 2 |
25659 | 24 | HB3 | 1.949 | 2 |
25667 | 24 | HB3 | 1.962 | 2 |
26844 | 54 | HB3 | 1.935 | 2 |
27254 | 59 | HB3 | 1.950 | 2 |
27606 | 11 | HB3 | 1.206 | 2 |
27663 | 43 | HB3 | 1.093 | 2 |
27677 | 172 | HB3 | 1.3230 | 2 |
28032 | 97 | HB3 | 1.037 | |
30034 | 99 | HB3 | 1.66 | 2 |
30322 | 147 | HB3 | 2 | 1 |
30531 | 43 | HB3 | 1.014 | |
30584 | 51 | HB3 | 1.345 | 9 |
30684 | 66 | HB3 | 1.783 | 2 |
30725 | 24 | HB3 | 1.493 | 2 |
34305 | 11 | HB3 | 1.945 | 2 |
34306 | 11 | HB3 | 1.928 | 1 |
34306 | 4 | HB3 | 1.934 | 1 |
34308 | 191 | HB3 | 1.614 | 1 |
34308 | 244 | HB3 | 1.745 | 2 |
34308 | 5 | HB3 | 1.686 | 1 |
34336 | 21 | HB3 | 1.838 | |
34394 | 48 | HB3 | 1.965 | 1 |
34395 | 48 | HB3 | 1.943 | 1 |
34570 | 41 | HB3 | 2.00 | |
34572 | 119 | HB3 | 1.716 | 2 |
34704 | 75 | HB3 | 1.491 | 2 |
36048 | 33 | HB3 | 1.714 | |
36244 | 15 | HB3 | 1.621 | |
36336 | 61 | HB3 | 1.847 | 1 |
50543 | 41 | HB3 | 2.00 | 2 |
50901 | 37 | HB3 | 1.98 | 2 |
51160 | 82 | HB3 | 1.831 |