Average chemical shift: 132.713
Standard deviation: 1.476
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 | CD2 | 137.8 | 1 |
16195 | 44 | CD2 | 137.713 | 3 |
18010 | 39 | CD2 | 137.79 | 1 |
18355 | 46 | CD2 | 138.289 | 1 |
19731 | 152 | CD2 | 137.224 | 1 |
19854 | 155 | CD2 | 139.644 | 1 |
19854 | 80 | CD2 | 137.886 | 1 |
25740 | 47 | CD2 | 139.472 | 1 |
26774 | 106 | CD2 | 137.621 | 1 |
26774 | 112 | CD2 | 137.651 | 1 |
26774 | 140 | CD2 | 137.538 | 1 |
30765 | 23 | CD2 | 138.200 | 1 |
30765 | 40 | CD2 | 137.318 | 1 |
30765 | 69 | CD2 | 138.662 | 1 |
31014 | 42 | CD2 | 137.7780 | 3 |
34487 | 50 | CD2 | 137.226 | 1 |
34490 | 55 | CD2 | 138.022 |
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 | CD2 | 116.6 | 1 |
4110 | 106 | CD2 | 118.15 | 1 |
4110 | 167 | CD2 | 118.24 | 1 |
4150 | 106 | CD2 | 53.376 | |
4150 | 45 | CD2 | 52.589 | |
4150 | 79 | CD2 | 53.196 | |
4150 | 93 | CD2 | 52.894 | |
4215 | 91 | CD2 | 128.000 | 1 |
4267 | 116 | CD2 | 122.1 | 1 |
4267 | 133 | CD2 | 128.2 | 1 |
4386 | 69 | CD2 | 113.4 | |
4952 | 65 | CD2 | 116.44 | 1 |
5179 | 23 | CD2 | 84.820 | |
5179 | 77 | CD2 | 84.920 | |
5345 | 12 | CD2 | 31.060 | 1 |
5363 | 17 | CD2 | 66.360 | 2 |
5363 | 19 | CD2 | 66.230 | 2 |
5363 | 41 | CD2 | 66.400 | 2 |
5363 | 89 | CD2 | 67.200 | 2 |
5887 | 33 | CD2 | 127.2 | 1 |
6072 | 25 | CD2 | 19.589 | 1 |
6072 | 61 | CD2 | 20.400 | 1 |
6247 | 19 | CD2 | 86.512 | |
6275 | 15 | CD2 | 127.2 | 1 |
6356 | 22 | CD2 | 128.151 | |
6356 | 29 | CD2 | 113.003 | |
6393 | 59 | CD2 | 118.25 | 1 |
6528 | 34 | CD2 | 127.84 | 1 |
6528 | 39 | CD2 | 127.84 | 1 |
6680 | 14 | CD2 | 127.854 | 1 |
6913 | 54 | CD2 | 127.996 | 3 |
7110 | 26 | CD2 | 115.4 | |
7110 | 49 | CD2 | 115.3 | |
7110 | 71 | CD2 | 115.3 | |
7110 | 77 | CD2 | 115.5 | |
7110 | 91 | CD2 | 115.9 | |
7110 | 99 | CD2 | 116.1 | |
7151 | 36 | CD2 | 123.5 | 1 |
7190 | 54 | CD2 | 117.849 | 1 |
10302 | 58 | CD2 | 127.841 | 1 |
11126 | 106 | CD2 | 127.492 | 1 |
11146 | 59 | CD2 | 127.422 | 1 |
15126 | 37 | CD2 | 118.192 | 3 |
15325 | 5 | CD2 | 118.2760 | |
15530 | 27 | CD2 | 116.99 | 1 |
15813 | 97 | CD2 | 119.7 | |
16124 | 77 | CD2 | 118.039 | 3 |
16179 | 19 | CD2 | 128.050 | 3 |
16180 | 19 | CD2 | 128.050 | 3 |
16181 | 19 | CD2 | 128.200 | 3 |
16671 | 19 | CD2 | 128.050 | 3 |
16679 | 57 | CD2 | 126.559 | 1 |
16767 | 55 | CD2 | 118.294 | 3 |
16815 | 4 | CD2 | 57.927 | 3 |
16884 | 17 | CD2 | 127.8 | 1 |
16884 | 60 | CD2 | 126.7 | 1 |
16914 | 69 | CD2 | 30.157 | |
17148 | 142 | CD2 | 122.950 | 3 |
17456 | 25 | CD2 | 128.275 | 3 |
17799 | 35 | CD2 | 125.657 | 3 |
17806 | 100 | CD2 | 128.109 | 3 |
17806 | 127 | CD2 | 128.198 | 3 |
17806 | 13 | CD2 | 128.176 | 3 |
17839 | 29 | CD2 | 126.886 | 1 |
18118 | 78 | CD2 | 127.966 | 3 |
18190 | 8 | CD2 | 127.280 | 3 |
18235 | 118 | CD2 | 58.2 | 3 |
18235 | 65 | CD2 | 57.1 | 3 |
18235 | 7 | CD2 | 58.2 | 3 |
18292 | 58 | CD2 | 128.164 | 3 |
18292 | 94 | CD2 | 127.954 | 3 |
18356 | 122 | CD2 | 119.2 | 1 |
18356 | 162 | CD2 | 118.7 | 1 |
18435 | 131 | CD2 | 115.2 | 3 |
18462 | 91 | CD2 | 121.571 | 1 |
18701 | 15 | CD2 | 127.936 | 1 |
18701 | 26 | CD2 | 125.458 | 1 |
18876 | 58 | CD2 | 117.757 | 1 |
18876 | 65 | CD2 | 117.941 | 1 |
19012 | 53 | CD2 | 127.264 | 3 |
19431 | 103 | CD2 | 127.946 | 3 |
19458 | 96 | CD2 | 25.8342 | |
19687 | 132 | CD2 | 125.65 | 3 |
19716 | 19 | CD2 | 49.2004 | 2 |
19952 | 147 | CD2 | 117.766 | 3 |
19967 | 40 | CD2 | 116.849 | 1 |
19967 | 48 | CD2 | 117.445 | 1 |
19967 | 59 | CD2 | 123.531 | 1 |
25027 | 68 | CD2 | 125.122 | 3 |
25040 | 192 | CD2 | 126.917 | 1 |
25194 | 42 | CD2 | 127.451 | 3 |
25239 | 16 | CD2 | 119.0 | 1 |
25294 | 72 | CD2 | 126.369 | |
25342 | 105 | CD2 | 128.011 | 3 |
25342 | 11 | CD2 | 127.652 | 3 |
25342 | 74 | CD2 | 127.210 | 3 |
25350 | 39 | CD2 | 123.458 | 1 |
25379 | 131 | CD2 | 128.089 | 1 |
25382 | 46 | CD2 | 49.369 | |
25382 | 52 | CD2 | 49.441 | |
25432 | 125 | CD2 | 128.050 | 3 |
25506 | 3 | CD2 | 126.554 | |
25507 | 3 | CD2 | 126.0 | 1 |
25567 | 11 | CD2 | 125.599 | |
25567 | 74 | CD2 | 127.135 | |
25567 | 90 | CD2 | 127.946 | |
25640 | 67 | CD2 | 124.442 | 1 |
25681 | 27 | CD2 | 3.492 | |
25738 | 3 | CD2 | 126.3 | 3 |
25739 | 3 | CD2 | 126.3 | 3 |
26026 | 49 | CD2 | 118.6 | |
26517 | 37 | CD2 | 118.613 | 1 |
26748 | 26 | CD2 | 31.680 | 1 |
26771 | 42 | CD2 | 43.737 | 1 |
27254 | 67 | CD2 | 124.469 | 1 |
34042 | 107 | CD2 | 91.675 | |
34042 | 112 | CD2 | 93.875 | |
34042 | 15 | CD2 | 90.775 | |
34042 | 25 | CD2 | 92.475 | |
34042 | 45 | CD2 | 93.725 | |
34042 | 65 | CD2 | 93.640 | |
34042 | 71 | CD2 | 93.011 | |
34042 | 83 | CD2 | 93.575 | |
34042 | 85 | CD2 | 92.292 | |
34042 | 86 | CD2 | 92.975 | |
34058 | 62 | CD2 | 127.452 | 3 |
34234 | 39 | CD2 | 69.500 | |
34667 | 47 | CD2 | 58.426 | |
50022 | 106 | CD2 | 40.581 | |
50022 | 59 | CD2 | 47.600 | |
50088 | 78 | CD2 | 121.138 | 3 |
51853 | 24 | CD2 | 116.949 |