Average chemical shift: 117.95
Standard deviation: 1.339
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
447 | 98 | CE1 | 131.6 | 1 |
4267 | 101 | CE1 | 132.9 | 1 |
4267 | 139 | CE1 | 129.8 | 1 |
4267 | 57 | CE1 | 127.7 | 1 |
4267 | 65 | CE1 | 131.7 | 1 |
4405 | 75 | CE1 | 133.23 | 1 |
4405 | 84 | CE1 | 133.31 | 1 |
4706 | 139 | CE1 | 141.104 | 1 |
4789 | 66 | CE1 | 159.567 | 2 |
4818 | 98 | CE1 | 133.00 | 3 |
4825 | 39 | CE1 | 129.01 | 1 |
4952 | 65 | CE1 | 131.17 | 1 |
5337 | 61 | CE1 | 137.35 | 3 |
5337 | 79 | CE1 | 125.06 | 3 |
5532 | 80 | CE1 | 133.197 | 1 |
5631 | 72 | CE1 | 154.10 | 1 |
6536 | 76 | CE1 | 125.431 | 1 |
6571 | 71 | CE1 | 137.420 | 3 |
6629 | 14 | CE1 | 132.3 | 1 |
6629 | 9 | CE1 | 130.4 | 1 |
6779 | 14 | CE1 | 132.377 | |
6779 | 9 | CE1 | 130.550 | |
6780 | 20 | CE1 | 127.78 | 1 |
6837 | 117 | CE1 | 133.224 | |
7187 | 91 | CE1 | 123.007 | 1 |
7190 | 54 | CE1 | 134.009 | 1 |
7314 | 60 | CE1 | 122.797 | 1 |
7314 | 76 | CE1 | 122.779 | 1 |
11149 | 39 | CE1 | 132.180 | 3 |
15325 | 5 | CE1 | 133.4140 | |
15530 | 27 | CE1 | 132.21 | 1 |
15537 | 29 | CE1 | 123.19 | 1 |
15813 | 97 | CE1 | 132.1 | |
16117 | 29 | CE1 | 123.176 | 1 |
16124 | 129 | CE1 | 124.350 | 3 |
16163 | 65 | CE1 | 122.899 | 3 |
16233 | 51 | CE1 | 127.372 | 3 |
16449 | 3 | CE1 | 134.400 | |
16544 | 47 | CE1 | 130.300 | 1 |
16571 | 52 | CE1 | 123.24 | 3 |
16590 | 43 | CE1 | 125.489 | 3 |
16630 | 153 | CE1 | 126.117 | 3 |
16679 | 57 | CE1 | 128.669 | 1 |
16712 | 101 | CE1 | 126.600 | 1 |
17074 | 76 | CE1 | 123.960 | 3 |
17076 | 76 | CE1 | 130.260 | 3 |
17109 | 31 | CE1 | 131.038 | 3 |
17109 | 91 | CE1 | 124.353 | 3 |
17109 | 93 | CE1 | 135.823 | 3 |
17420 | 20 | CE1 | 128.880 | 3 |
17799 | 35 | CE1 | 123.128 | 3 |
17841 | 29 | CE1 | 122.843 | 1 |
18130 | 48 | CE1 | 122.300 | 1 |
18152 | 31 | CE1 | 131.038 | 3 |
18152 | 91 | CE1 | 124.353 | 3 |
18355 | 46 | CE1 | 122.862 | 1 |
18356 | 122 | CE1 | 134.5 | 1 |
18356 | 162 | CE1 | 134.4 | 1 |
18435 | 128 | CE1 | 130.7 | 3 |
18462 | 79 | CE1 | 131.419 | 1 |
18620 | 28 | CE1 | 132.8 | 1 |
18620 | 5 | CE1 | 133.0 | 1 |
18620 | 74 | CE1 | 130.6 | 1 |
18621 | 15 | CE1 | 129.2 | 1 |
18621 | 16 | CE1 | 130.1 | 1 |
18876 | 58 | CE1 | 133.077 | 1 |
18876 | 65 | CE1 | 133.150 | 1 |
18880 | 39 | CE1 | 127.50 | 3 |
18880 | 80 | CE1 | 127.12 | 3 |
18966 | 107 | CE1 | 130.583 | 3 |
19107 | 207 | CE1 | 127.7430 | |
19342 | 9 | CE1 | 121.993 | 1 |
19428 | 10 | CE1 | 177.717 | |
19961 | 46 | CE1 | 130.840 | 1 |
19967 | 48 | CE1 | 131.944 | 1 |
19967 | 59 | CE1 | 127.688 | 1 |
25239 | 16 | CE1 | 130.4 | 1 |
25239 | 97 | CE1 | 133.0 | 1 |
25240 | 66 | CE1 | 123.343 | 1 |
25243 | 73 | CE1 | 130.196 | |
25294 | 72 | CE1 | 124.486 | |
25453 | 104 | CE1 | 132.930 | 3 |
25453 | 128 | CE1 | 133.793 | 3 |
25627 | 73 | CE1 | 122.076 | 1 |
25907 | 67 | CE1 | 132.086 | |
26771 | 42 | CE1 | 129.319 | 1 |
27284 | 111 | CE1 | 130.012 | |
27284 | 188 | CE1 | 133.425 | |
27663 | 50 | CE1 | 121.992 | 3 |
30821 | 149 | CE1 | 122.165 | 1 |
30896 | 37 | CE1 | 122.717 | 3 |
34131 | 56 | CE1 | 124.257 | 1 |
34131 | 95 | CE1 | 123.664 | 1 |
34139 | 60 | CE1 | 135.197 | |
34202 | 92 | CE1 | 130.459 | |
34216 | 13 | CE1 | 149.609 | |
34216 | 94 | CE1 | 150.360 | |
34248 | 121 | CE1 | 130.304 | 1 |
34511 | 47 | CE1 | 129.728 | |
34511 | 72 | CE1 | 182.764 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1580 | 94 | CE1 | 112.7 | 1 |
4150 | 106 | CE1 | 78.599 | |
4150 | 45 | CE1 | 78.094 | |
4150 | 79 | CE1 | 78.958 | |
4150 | 93 | CE1 | 78.257 | |
4161 | 108 | CE1 | 110.7 | 3 |
4368 | 76 | CE1 | 98.80 | 3 |
4641 | 72 | CE1 | 73.1000 | |
5179 | 23 | CE1 | 70.120 | |
5179 | 77 | CE1 | 70.720 | |
5224 | 54 | CE1 | 113.1 | 1 |
5363 | 17 | CE1 | 52.100 | 2 |
5467 | 102 | CE1 | 44.44 | 1 |
6072 | 25 | CE1 | 62.300 | 1 |
6072 | 61 | CE1 | 61.900 | 1 |
6073 | 138 | CE1 | 111.80 | |
6247 | 19 | CE1 | 72.036 | |
6308 | 43 | CE1 | 42.513 | |
6308 | 71 | CE1 | 43.320 | |
6308 | 76 | CE1 | 42.933 | |
6308 | 91 | CE1 | 42.860 | |
6361 | 37 | CE1 | 113.467 | 3 |
6385 | 10 | CE1 | 100.654 | 1 |
6730 | 13 | CE1 | 41.427 | |
6730 | 66 | CE1 | 42.303 | |
6730 | 74 | CE1 | 40.435 | |
6730 | 80 | CE1 | 42.303 | |
11471 | 26 | CE1 | 112.292 | |
15404 | 12 | CE1 | 112.366 | 1 |
15485 | 99 | CE1 | 113.651 | |
15912 | 44 | CE1 | 112.66 | 1 |
15912 | 76 | CE1 | 112.21 | 1 |
15912 | 81 | CE1 | 112.03 | 1 |
15912 | 95 | CE1 | 112.40 | 1 |
16195 | 108 | CE1 | 97.436 | 3 |
16195 | 34 | CE1 | 99.752 | 3 |
16195 | 44 | CE1 | 100.430 | 3 |
16339 | 3 | CE1 | 49.570 | 3 |
16672 | 31 | CE1 | 54.341 | 3 |
16672 | 51 | CE1 | 54.171 | 3 |
16672 | 94 | CE1 | 54.337 | 3 |
16809 | 42 | CE1 | 112.64 | 1 |
16809 | 42 | CE1 | 112.66 | 1 |
16809 | 74 | CE1 | 112.21 | 1 |
16809 | 79 | CE1 | 112.03 | 1 |
16809 | 93 | CE1 | 112.40 | 1 |
16809 | 93 | CE1 | 112.42 | 1 |
16814 | 23 | CE1 | 58.025 | 3 |
16815 | 4 | CE1 | 57.593 | 3 |
16884 | 17 | CE1 | 112.5 | 1 |
16884 | 60 | CE1 | 112.6 | 1 |
16884 | 97 | CE1 | 112.5 | 1 |
17073 | 51 | CE1 | 56.8200 | 3 |
17109 | 127 | CE1 | 109.619 | 3 |
17109 | 135 | CE1 | 106.548 | 3 |
17109 | 145 | CE1 | 107.907 | 3 |
17109 | 86 | CE1 | 108.838 | 3 |
17148 | 142 | CE1 | 113.303 | 3 |
17456 | 25 | CE1 | 113.432 | 3 |
17456 | 73 | CE1 | 113.089 | 3 |
17799 | 122 | CE1 | 113.438 | 3 |
17799 | 149 | CE1 | 112.954 | 3 |
17799 | 150 | CE1 | 113.304 | 3 |
17806 | 100 | CE1 | 113.131 | 3 |
17806 | 128 | CE1 | 112.670 | 3 |
17806 | 13 | CE1 | 112.575 | 3 |
18118 | 78 | CE1 | 113.250 | 3 |
18118 | 87 | CE1 | 113.280 | 3 |
18235 | 65 | CE1 | 42.4 | 3 |
18292 | 47 | CE1 | 113.194 | 3 |
18292 | 58 | CE1 | 112.788 | 3 |
18292 | 88 | CE1 | 113.789 | 3 |
18388 | 46 | CE1 | 111.897 | 3 |
18550 | 73 | CE1 | 113.923 | 1 |
25342 | 48 | CE1 | 113.481 | 3 |
25379 | 131 | CE1 | 112.913 | 1 |
25379 | 161 | CE1 | 113.243 | 1 |
25379 | 53 | CE1 | 112.498 | 1 |
25379 | 6 | CE1 | 113.104 | 1 |
25379 | 90 | CE1 | 112.839 | 1 |
25379 | 97 | CE1 | 113.013 | 1 |
25382 | 46 | CE1 | 62.636 | |
25382 | 52 | CE1 | 61.688 | |
25506 | 3 | CE1 | 111.545 | |
25507 | 3 | CE1 | 110.9 | 1 |
25567 | 105 | CE1 | 112.692 | |
25567 | 123 | CE1 | 111.844 | |
25567 | 48 | CE1 | 113.563 | |
25738 | 3 | CE1 | 111.1 | 3 |
25739 | 3 | CE1 | 111.3 | 3 |
25864 | 21 | CE1 | 113.5000 | 3 |
25864 | 22 | CE1 | 113.5000 | 3 |
25865 | 21 | CE1 | 113.8000 | 3 |
25865 | 22 | CE1 | 113.8000 | 3 |
25866 | 21 | CE1 | 113.5000 | 3 |
25866 | 22 | CE1 | 113.5000 | 3 |
26552 | 124 | CE1 | 54.6666 | |
26552 | 31 | CE1 | 54.6666 | |
26552 | 90 | CE1 | 53.8366 | |
27453 | 113 | CE1 | 113.793 | 1 |
27989 | 14 | CE1 | 113.440 | 3 |
30133 | 152 | CE1 | 113.745 | 9 |
30133 | 74 | CE1 | 112.383 | 9 |
30322 | 191 | CE1 | 50.994 | 1 |
30875 | 43 | CE1 | 113.0640 | 3 |
30875 | 49 | CE1 | 112.9840 | 3 |
30875 | 6 | CE1 | 113.0230 | 3 |
34022 | 6 | CE1 | 54.6666 | |
34022 | 65 | CE1 | 53.8366 | |
34022 | 99 | CE1 | 54.6666 | |
34042 | 107 | CE1 | 78.195 | |
34042 | 112 | CE1 | 76.927 | |
34042 | 15 | CE1 | 77.555 | |
34042 | 25 | CE1 | 77.375 | |
34042 | 45 | CE1 | 75.755 | |
34042 | 65 | CE1 | 77.915 | |
34042 | 71 | CE1 | 77.466 | |
34042 | 85 | CE1 | 76.925 | |
34234 | 39 | CE1 | 53.840 | |
34239 | 11 | CE1 | 92.892 | |
34239 | 47 | CE1 | 92.486 | |
34260 | 53 | CE1 | 113.903 | |
34329 | 50 | CE1 | 113.196 | 1 |