Average chemical shift: 132.721
Standard deviation: 1.371
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4064 | 110 | CD1 | 137.8 | 1 |
4679 | 92 | CD1 | 138.7000 | |
5337 | 61 | CD1 | 138.38 | 3 |
15126 | 57 | CD1 | 138.647 | 3 |
16195 | 44 | CD1 | 137.713 | 3 |
16590 | 43 | CD1 | 141.572 | 3 |
16779 | 66 | CD1 | 138.069 | |
17892 | 52 | CD1 | 136.84 | |
18355 | 46 | CD1 | 138.272 | 1 |
19007 | 11 | CD1 | 136.931 | 1 |
19731 | 152 | CD1 | 137.224 | 1 |
19854 | 155 | CD1 | 138.472 | 1 |
25159 | 85 | CD1 | 136.980 | 1 |
26774 | 106 | CD1 | 137.621 | 1 |
26774 | 112 | CD1 | 137.651 | 1 |
26774 | 140 | CD1 | 137.538 | 1 |
30100 | 59 | CD1 | 136.897 | |
30765 | 23 | CD1 | 138.200 | 1 |
30765 | 40 | CD1 | 137.318 | 1 |
30765 | 69 | CD1 | 138.662 | 1 |
34487 | 50 | CD1 | 137.226 | 1 |
50275 | 43 | CD1 | 139.340 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
447 | 98 | CD1 | 116.6 | 1 |
4150 | 106 | CD1 | 53.376 | |
4150 | 45 | CD1 | 52.589 | |
4150 | 79 | CD1 | 53.196 | |
4150 | 93 | CD1 | 52.894 | |
4161 | 108 | CD1 | 125.5 | 3 |
4215 | 9 | CD1 | 128.500 | 1 |
4215 | 91 | CD1 | 128.000 | 1 |
4267 | 116 | CD1 | 122.1 | 1 |
4267 | 133 | CD1 | 128.2 | 1 |
4386 | 69 | CD1 | 113.4 | |
4641 | 72 | CD1 | 65.4100 | |
4829 | 30 | CD1 | 128.377 | 1 |
4952 | 65 | CD1 | 116.44 | 1 |
5179 | 23 | CD1 | 84.820 | |
5179 | 77 | CD1 | 84.920 | |
5337 | 79 | CD1 | 125.56 | 3 |
5345 | 12 | CD1 | 31.060 | 1 |
5887 | 33 | CD1 | 127.2 | 1 |
6072 | 25 | CD1 | 19.589 | 1 |
6072 | 61 | CD1 | 20.400 | 1 |
6125 | 137 | CD1 | 127.2 | 3 |
6125 | 164 | CD1 | 127.2 | 3 |
6247 | 19 | CD1 | 86.512 | |
6275 | 15 | CD1 | 127.2 | 1 |
6308 | 43 | CD1 | 56.634 | |
6308 | 71 | CD1 | 57.817 | |
6308 | 76 | CD1 | 57.725 | |
6308 | 91 | CD1 | 57.476 | |
6393 | 59 | CD1 | 118.25 | 1 |
6506 | 24 | CD1 | 54.990 | 1 |
6528 | 34 | CD1 | 127.84 | 1 |
6528 | 39 | CD1 | 127.84 | 1 |
6680 | 14 | CD1 | 127.854 | 1 |
6730 | 13 | CD1 | 58.343 | |
6730 | 66 | CD1 | 58.343 | |
6730 | 74 | CD1 | 57.910 | |
6730 | 80 | CD1 | 56.544 | |
7108 | 67 | CD1 | 124.699 | 3 |
7110 | 26 | CD1 | 115.4 | |
7110 | 49 | CD1 | 115.3 | |
7110 | 71 | CD1 | 115.3 | |
7110 | 77 | CD1 | 115.5 | |
7110 | 91 | CD1 | 115.9 | |
7110 | 99 | CD1 | 116.1 | |
7190 | 54 | CD1 | 117.849 | 1 |
7208 | 33 | CD1 | 118.058 | 1 |
10302 | 58 | CD1 | 127.841 | 1 |
11024 | 27 | CD1 | 117.635 | 4 |
11024 | 83 | CD1 | 117.433 | 4 |
11086 | 39 | CD1 | 128.386 | 1 |
11126 | 106 | CD1 | 127.492 | 1 |
11137 | 86 | CD1 | 128.600 | 1 |
11146 | 59 | CD1 | 127.422 | 1 |
11149 | 39 | CD1 | 118.196 | 3 |
11175 | 113 | CD1 | 128.535 | 1 |
11181 | 85 | CD1 | 128.422 | 1 |
15113 | 16 | CD1 | 126.953 | 1 |
15325 | 5 | CD1 | 118.2760 | |
15356 | 113 | CD1 | 128.400 | 3 |
15404 | 12 | CD1 | 126.746 | 1 |
15530 | 27 | CD1 | 116.99 | 1 |
15700 | 85 | CD1 | 127.642 | 1 |
15813 | 97 | CD1 | 119.7 | |
15912 | 11 | CD1 | 127.45 | 1 |
15912 | 11 | CD1 | 127.48 | 1 |
15912 | 44 | CD1 | 127.20 | 1 |
15912 | 63 | CD1 | 127.93 | 1 |
15912 | 76 | CD1 | 127.97 | 1 |
15912 | 8 | CD1 | 127.29 | 1 |
15912 | 81 | CD1 | 128.16 | 1 |
15912 | 95 | CD1 | 127.68 | 1 |
15927 | 137 | CD1 | 128.377 | 1 |
16179 | 19 | CD1 | 128.050 | 3 |
16180 | 19 | CD1 | 128.050 | 3 |
16181 | 19 | CD1 | 128.200 | 3 |
16339 | 3 | CD1 | 62.965 | 3 |
16544 | 47 | CD1 | 128.200 | 1 |
16629 | 80 | CD1 | 118.228 | 3 |
16671 | 19 | CD1 | 128.050 | 3 |
16672 | 31 | CD1 | 68.516 | 3 |
16672 | 51 | CD1 | 68.927 | 3 |
16672 | 94 | CD1 | 68.338 | 3 |
16679 | 57 | CD1 | 126.559 | 1 |
16809 | 42 | CD1 | 127.20 | 1 |
16809 | 42 | CD1 | 127.37 | 1 |
16809 | 6 | CD1 | 127.29 | 1 |
16809 | 61 | CD1 | 127.81 | 1 |
16809 | 61 | CD1 | 127.93 | 1 |
16809 | 74 | CD1 | 127.85 | 1 |
16809 | 74 | CD1 | 127.97 | 1 |
16809 | 79 | CD1 | 128.13 | 1 |
16809 | 79 | CD1 | 128.16 | 1 |
16809 | 9 | CD1 | 127.45 | 1 |
16809 | 9 | CD1 | 127.48 | 1 |
16809 | 93 | CD1 | 127.68 | 1 |
16809 | 93 | CD1 | 127.74 | 1 |
16814 | 23 | CD1 | 70.058 | 3 |
16814 | 4 | CD1 | 72.216 | 3 |
16815 | 4 | CD1 | 57.927 | 3 |
16914 | 69 | CD1 | 30.157 | |
17073 | 51 | CD1 | 71.4000 | 3 |
17124 | 134 | CD1 | 128.482 | 3 |
17148 | 142 | CD1 | 122.950 | 3 |
17250 | 71 | CD1 | 128.4 | 3 |
17456 | 25 | CD1 | 128.275 | 3 |
17456 | 73 | CD1 | 128.328 | 3 |
17490 | 104 | CD1 | 128.384 | |
17799 | 122 | CD1 | 128.460 | 3 |
17799 | 149 | CD1 | 128.591 | 3 |
17799 | 35 | CD1 | 125.657 | 3 |
17806 | 100 | CD1 | 128.069 | 3 |
17806 | 127 | CD1 | 128.185 | 3 |
17806 | 13 | CD1 | 128.176 | 3 |
17839 | 29 | CD1 | 126.886 | 1 |
18118 | 78 | CD1 | 127.970 | 3 |
18118 | 87 | CD1 | 128.566 | 3 |
18190 | 8 | CD1 | 127.284 | 3 |
18235 | 118 | CD1 | 58.2 | 3 |
18235 | 65 | CD1 | 57.1 | 3 |
18235 | 7 | CD1 | 58.2 | 3 |
18292 | 58 | CD1 | 128.164 | 3 |
18292 | 88 | CD1 | 128.341 | 3 |
18292 | 94 | CD1 | 127.954 | 3 |
18356 | 122 | CD1 | 119.2 | 1 |
18356 | 162 | CD1 | 118.7 | 1 |
18356 | 82 | CD1 | 120.5 | 1 |
18462 | 91 | CD1 | 121.571 | 1 |
18550 | 73 | CD1 | 128.379 | 1 |
18620 | 28 | CD1 | 118.4 | 1 |
18620 | 5 | CD1 | 117.6 | 1 |
18621 | 16 | CD1 | 127.6 | 1 |
18701 | 15 | CD1 | 127.936 | 1 |
18701 | 26 | CD1 | 125.458 | 1 |
18856 | 21 | CD1 | 125.781 | |
19012 | 53 | CD1 | 127.264 | 3 |
19431 | 103 | CD1 | 127.951 | 3 |
19458 | 96 | CD1 | 25.8342 | |
19952 | 147 | CD1 | 117.766 | 3 |
19967 | 59 | CD1 | 116.558 | 1 |
25027 | 68 | CD1 | 125.116 | 3 |
25119 | 26 | CD1 | 59.816 | 1 |
25119 | 29 | CD1 | 59.684 | 1 |
25194 | 42 | CD1 | 127.451 | 3 |
25239 | 120 | CD1 | 117.1 | 1 |
25239 | 16 | CD1 | 119.6 | 1 |
25239 | 97 | CD1 | 117.7 | 1 |
25243 | 73 | CD1 | 118.006 | |
25294 | 72 | CD1 | 126.369 | |
25342 | 10 | CD1 | 122.946 | 3 |
25342 | 11 | CD1 | 127.392 | 3 |
25342 | 48 | CD1 | 128.173 | 3 |
25342 | 90 | CD1 | 127.967 | 3 |
25379 | 161 | CD1 | 128.17 | 1 |
25379 | 53 | CD1 | 128.163 | 1 |
25379 | 6 | CD1 | 128.059 | 1 |
25379 | 90 | CD1 | 128.542 | 1 |
25379 | 97 | CD1 | 128.203 | 1 |
25382 | 46 | CD1 | 49.369 | |
25382 | 52 | CD1 | 49.441 | |
25395 | 18 | CD1 | 128.548 | |
25395 | 46 | CD1 | 128.548 | |
25395 | 80 | CD1 | 128.548 | |
25432 | 125 | CD1 | 128.050 | 3 |
25506 | 3 | CD1 | 126.554 | |
25507 | 3 | CD1 | 126.0 | 1 |
25567 | 10 | CD1 | 122.963 | |
25567 | 105 | CD1 | 128.011 | |
25567 | 123 | CD1 | 128.565 | |
25567 | 48 | CD1 | 128.175 | |
25738 | 3 | CD1 | 126.3 | 3 |
25739 | 3 | CD1 | 126.3 | 3 |
26026 | 49 | CD1 | 118.6 | |
26517 | 37 | CD1 | 118.613 | 1 |
26552 | 124 | CD1 | 35.9499 | |
26552 | 31 | CD1 | 35.4699 | |
26552 | 90 | CD1 | 36.4799 | |
26753 | 89 | CD1 | 127.880 | 1 |
26771 | 42 | CD1 | 43.737 | 1 |
27254 | 67 | CD1 | 124.792 | 1 |
27453 | 104 | CD1 | 128.49 | 1 |
27453 | 50 | CD1 | 128.512 | 1 |
27611 | 26 | CD1 | 119.396 | 1 |
27989 | 14 | CD1 | 128.374 | 3 |
28131 | 104 | CD1 | 19.40 | |
30178 | 18 | CD1 | 126.43 | 3 |
30207 | 68 | CD1 | 117.713 | |
30532 | 41 | CD1 | 127.8890 | 1 |
30532 | 53 | CD1 | 127.3500 | 1 |
30875 | 43 | CD1 | 128.0290 | 3 |
30875 | 49 | CD1 | 128.0758 | 3 |
30875 | 6 | CD1 | 128.1691 | 3 |
34022 | 6 | CD1 | 35.4699 | |
34022 | 65 | CD1 | 36.4799 | |
34022 | 99 | CD1 | 35.9499 | |
34041 | 62 | CD1 | 127.206 | 3 |
34042 | 107 | CD1 | 91.675 | |
34042 | 112 | CD1 | 93.875 | |
34042 | 15 | CD1 | 90.775 | |
34042 | 25 | CD1 | 92.475 | |
34042 | 45 | CD1 | 93.725 | |
34042 | 65 | CD1 | 93.640 | |
34042 | 71 | CD1 | 93.011 | |
34042 | 83 | CD1 | 93.575 | |
34042 | 85 | CD1 | 92.292 | |
34042 | 86 | CD1 | 92.975 | |
34058 | 62 | CD1 | 127.477 | 3 |
34121 | 201 | CD1 | 120.260 | 1 |
34234 | 39 | CD1 | 69.500 | |
34260 | 67 | CD1 | 127.253 | |
34260 | 76 | CD1 | 128.445 | |
34329 | 29 | CD1 | 128.552 | 1 |
34329 | 50 | CD1 | 127.633 | 1 |
34329 | 90 | CD1 | 128.347 | 1 |
34492 | 111 | CD1 | 128.194 | 1 |
34519 | 16 | CD1 | 121.3 | 1 |
34667 | 47 | CD1 | 58.426 | |
34695 | 7 | CD1 | 127.093 | |
50022 | 106 | CD1 | 40.581 | |
50022 | 59 | CD1 | 47.600 | |
50088 | 78 | CD1 | 121.138 | 3 |