Average chemical shift: 129.257
Standard deviation: 2.148
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
498 | 62 | NE1 | 249.5 | 1 |
4242 | 108 | NE1 | 135.9 | 1 |
4681 | 107 | NE1 | 136.1 | |
4681 | 107 | NE1 | 136.3 | |
5240 | 28 | NE1 | 138.3 | 1 |
5241 | 28 | NE1 | 138.3 | 1 |
5401 | 30 | NE1 | 137.32 | 1 |
5578 | 106 | NE1 | 135.8 | |
5578 | 109 | NE1 | 137.9 | |
5579 | 109 | NE1 | 137.6 | |
5618 | 295 | NE1 | 139.38 | 1 |
5618 | 299 | NE1 | 135.94 | 1 |
6269 | 32 | NE1 | 139.2 | 1 |
7108 | 28 | NE1 | 136.020 | 1 |
7109 | 28 | NE1 | 136.525 | 1 |
7112 | 7 | NE1 | 136.856 | 1 |
10300 | 61 | NE1 | 144.357 | 1 |
11225 | 45 | NE1 | 138.872 | 1 |
15807 | 39 | NE1 | 136.053 | 1 |
15877 | 8 | NE1 | 160.134 | 1 |
16649 | 6 | NE1 | 137.528 | 1 |
17299 | 35 | NE1 | 137.150 | 1 |
17300 | 35 | NE1 | 136.793 | 1 |
17496 | 97 | NE1 | 136.952 | 1 |
17732 | 23 | NE1 | 136.4 | 1 |
18547 | 139 | NE1 | 137.0 | 1 |
19766 | 20 | NE1 | 135.792 | 1 |
19843 | 49 | NE1 | 135.913 | |
25047 | 15 | NE1 | 135.753 | 1 |
25188 | 34 | NE1 | 136.347 | 1 |
25442 | 18 | NE1 | 435.960 | |
25442 | 31 | NE1 | 428.542 | |
25703 | 29 | NE1 | 139.734 | 1 |
30137 | 13 | NE1 | 138.221 | 1 |
30137 | 72 | NE1 | 138.040 | 1 |
30537 | 58 | NE1 | 136.0 | 1 |
30808 | 50 | NE1 | 141.38 | 1 |
30809 | 50 | NE1 | 141.18 | 1 |
50484 | 31 | NE1 | 136.510 | 1 |
50485 | 31 | NE1 | 135.881 | 1 |
52150 | 32 | NE1 | 135.98 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4038 | 14 | NE1 | 0.53 | 1 |
4081 | 76 | NE1 | 121.68 | 1 |
4087 | 52 | NE1 | 119.7 | 1 |
4129 | 170 | NE1 | 122.3 | 1 |
4160 | 42 | NE1 | 106.75 | 1 |
4165 | 42 | NE1 | 107.96 | 1 |
4224 | 8 | NE1 | 71.67 | 1 |
4308 | 98 | NE1 | 120.628 | 1 |
4781 | 37 | NE1 | 112.242 | 1 |
4969 | 36 | NE1 | 122.600 | 1 |
5316 | 211 | NE1 | 116.767 | 1 |
5466 | 51 | NE1 | 121.00 | |
6298 | 40 | NE1 | 122.679 | |
6406 | 35 | NE1 | 121.65 | 1 |
6625 | 49 | NE1 | 109.450 | 1 |
6692 | 60 | NE1 | 108.661 | 1 |
6847 | 37 | NE1 | 122.393 | 1 |
6906 | 49 | NE1 | 109.2 | 9 |
7002 | 30 | NE1 | 112.06 | 1 |
7381 | 32 | NE1 | 119.222 | 1 |
10102 | 36 | NE1 | 122.743 | 1 |
10128 | 36 | NE1 | 122.711 | 1 |
10254 | 75 | NE1 | 120.111 | 1 |
10270 | 39 | NE1 | 121.288 | 1 |
11038 | 54 | NE1 | 119.865 | 1 |
11061 | 83 | NE1 | 117.933 | 1 |
11127 | 38 | NE1 | 122.580 | 1 |
11175 | 99 | NE1 | 121.941 | 1 |
11423 | 70 | NE1 | 115.641 | 1 |
11516 | 123 | NE1 | 121.953 | 1 |
15028 | 28 | NE1 | 107.644 | 1 |
15401 | 32 | NE1 | 119.222 | 1 |
15402 | 32 | NE1 | 119.222 | 1 |
15406 | 57 | NE1 | 112.12 | 1 |
15507 | 86 | NE1 | 121.824 | 1 |
15599 | 49 | NE1 | 108.560 | 1 |
15671 | 45 | NE1 | 121.998 | 1 |
16179 | 56 | NE1 | 107.307 | 1 |
16336 | 56 | NE1 | 106.0 | 1 |
16549 | 14 | NE1 | 108.084 | 1 |
16549 | 18 | NE1 | 108.084 | 1 |
16574 | 17 | NE1 | 120.2705 | 1 |
16858 | 100 | NE1 | 112.370 | 1 |
16858 | 106 | NE1 | 112.730 | 1 |
16858 | 53 | NE1 | 115.600 | 1 |
16859 | 100 | NE1 | 112.370 | 1 |
16859 | 106 | NE1 | 112.730 | 1 |
16859 | 53 | NE1 | 115.600 | 1 |
16861 | 100 | NE1 | 112.370 | 1 |
16861 | 106 | NE1 | 112.730 | 1 |
16861 | 53 | NE1 | 115.600 | 1 |
16865 | 100 | NE1 | 112.370 | 1 |
16865 | 106 | NE1 | 112.730 | 1 |
16865 | 53 | NE1 | 115.600 | 1 |
16881 | 108 | NE1 | 121.2 | 1 |
16931 | 59 | NE1 | 119.8868 | 1 |
16933 | 59 | NE1 | 119.9102 | 1 |
17246 | 65 | NE1 | 120.189 | 1 |
17392 | 75 | NE1 | 110.690 | 1 |
17393 | 75 | NE1 | 110.6680 | 1 |
17670 | 31 | NE1 | 122.332 | 1 |
17711 | 107 | NE1 | 120.1722 | 1 |
17713 | 70 | NE1 | 118.927 | 1 |
17738 | 81 | NE1 | 116.989 | 1 |
17830 | 35 | NE1 | 121.607 | 1 |
17831 | 35 | NE1 | 121.647 | 1 |
17935 | 122 | NE1 | 121.652 | |
18001 | 72 | NE1 | 120.2 | 1 |
18135 | 76 | NE1 | 122.020 | 1 |
18278 | 60 | NE1 | 118.591 | 1 |
18344 | 76 | NE1 | 121.914 | 1 |
18837 | 50 | NE1 | 120.143 | 1 |
18901 | 26 | NE1 | 115.620 | |
18908 | 35 | NE1 | 122.001 | 1 |
18951 | 12 | NE1 | 111.380 | 1 |
18951 | 36 | NE1 | 110.404 | 1 |
19066 | 146 | NE1 | 122.610 | 1 |
19108 | 94 | NE1 | 118.865 | |
19109 | 12 | NE1 | 122.437 | 1 |
19240 | 59 | NE1 | 117.833 | 1 |
19241 | 59 | NE1 | 117.791 | 1 |
19254 | 146 | NE1 | 122.69595 | |
19255 | 146 | NE1 | 122.69595 | |
19256 | 146 | NE1 | 122.48191 | |
19479 | 22 | NE1 | 117.712 | |
19551 | 175 | NE1 | 118.500 | 1 |
19608 | 107 | NE1 | 108.348 | 1 |
19608 | 155 | NE1 | 110.657 | 1 |
19608 | 33 | NE1 | 108.826 | 1 |
19608 | 42 | NE1 | 111.115 | 1 |
19608 | 47 | NE1 | 111.343 | 1 |
19608 | 5 | NE1 | 109.226 | 1 |
19608 | 53 | NE1 | 107.208 | 1 |
19608 | 68 | NE1 | 107.15 | 1 |
19608 | 93 | NE1 | 107.728 | 1 |
19627 | 91 | NE1 | 122.222 | 1 |
19703 | 56 | NE1 | 121.969 | |
19945 | 160 | NE1 | 103.522 | |
19946 | 95 | NE1 | 106.171 | |
19994 | 64 | NE1 | 58.929 | |
25149 | 66 | NE1 | 122.571 | 1 |
25278 | 114 | NE1 | 9.54 | 1 |
25410 | 152 | NE1 | 10.241 | 1 |
25829 | 162 | NE1 | 122.689 | 1 |
25923 | 135 | NE1 | 113.109 | |
25985 | 92 | NE1 | 118.977 | 1 |
25985 | 92 | NE1 | 119.176 | 1 |
26047 | 63 | NE1 | 117.754 | 1 |
26541 | 146 | NE1 | 122.557 | 1 |
26936 | 35 | NE1 | 122.020 | 1 |
27518 | 37 | NE1 | 121.9 | 1 |
27690 | 78 | NE1 | 118.640 | |
28037 | 66 | NE1 | 117.842 | 1 |
28038 | 63 | NE1 | 117.718 | 1 |
30334 | 36 | NE1 | 99.402 | |
31020 | 38 | NE1 | 122.6867 | 1 |
34085 | 25 | NE1 | 120.909 | 1 |
34239 | 40 | NE1 | 120.539 | |
34719 | 44 | NE1 | 122.702 | 1 |
34727 | 31 | NE1 | 114.586 | |
36115 | 30 | NE1 | 107.631 | 1 |
36115 | 8 | NE1 | 108.226 | 1 |
51379 | 140 | NE1 | 122.089 | 1 |
51471 | 132 | NE1 | 122.329 | 1 |