Average chemical shift: 24.652
Standard deviation: 2.007
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4150 | 12 | CD1 | 66.366 | |
4150 | 20 | CD1 | 64.257 | |
4150 | 24 | CD1 | 66.460 | |
4150 | 26 | CD1 | 64.197 | |
4150 | 39 | CD1 | 65.596 | |
4150 | 73 | CD1 | 65.283 | |
4438 | 99 | CD1 | 47.4 | 1 |
4649 | 78 | CD1 | 68.4860 | |
5179 | 11 | CD1 | 72.880 | |
5179 | 13 | CD1 | 70.580 | |
5179 | 36 | CD1 | 73.880 | |
5179 | 38 | CD1 | 70.180 | |
5179 | 46 | CD1 | 72.180 | |
5631 | 23 | CD1 | 62.60 | 1 |
5631 | 59 | CD1 | 62.50 | 1 |
5631 | 60 | CD1 | 62.30 | 1 |
5631 | 8 | CD1 | 61.10 | 1 |
5631 | 85 | CD1 | 62.00 | 1 |
5631 | 86 | CD1 | 62.60 | 1 |
5631 | 95 | CD1 | 63.30 | 1 |
5894 | 82 | CD1 | 31.83 | 1 |
5904 | 41 | CD1 | 31.8 | 1 |
6626 | 149 | CD1 | 32.2 | 1 |
6723 | 73 | CD1 | 45.946 | |
7089 | 127 | CD1 | 31.000 | 1 |
11055 | 72 | CD1 | 120.700 | 2 |
15873 | 12 | CD1 | 42.753 | 1 |
15873 | 15 | CD1 | 46.382 | 1 |
15873 | 16 | CD1 | 41.534 | 1 |
15873 | 20 | CD1 | 45.303 | 1 |
15873 | 27 | CD1 | 44.511 | 1 |
15873 | 33 | CD1 | 45.420 | 1 |
15873 | 42 | CD1 | 42.634 | 1 |
15873 | 52 | CD1 | 44.894 | 1 |
15873 | 66 | CD1 | 45.178 | 1 |
15874 | 12 | CD1 | 42.753 | 1 |
15874 | 15 | CD1 | 46.382 | 1 |
15874 | 16 | CD1 | 41.534 | 1 |
15874 | 20 | CD1 | 45.303 | 1 |
15874 | 27 | CD1 | 44.511 | 1 |
15874 | 33 | CD1 | 45.420 | 1 |
15874 | 42 | CD1 | 42.634 | 1 |
15874 | 52 | CD1 | 44.894 | 1 |
15874 | 66 | CD1 | 45.178 | 1 |
15877 | 11 | CD1 | 54.915 | 2 |
16832 | 125 | CD1 | 36.85 | 2 |
17128 | 22 | CD1 | 52.661 | 2 |
17953 | 99 | CD1 | 62.899 | 2 |
18340 | 14 | CD1 | 55.0153 | 1 |
18340 | 8 | CD1 | 55.1355 | 1 |
18951 | 17 | CD1 | 51.895 | 1 |
18951 | 26 | CD1 | 50.595 | 1 |
18951 | 3 | CD1 | 50.995 | 1 |
18951 | 40 | CD1 | 51.925 | 1 |
18951 | 42 | CD1 | 51.695 | 1 |
25382 | 24 | CD1 | 50.938 | |
25382 | 33 | CD1 | 55.308 | |
25382 | 47 | CD1 | 52.900 | |
25382 | 59 | CD1 | 54.613 | |
25382 | 73 | CD1 | 54.848 | |
25382 | 84 | CD1 | 53.108 | |
25859 | 127 | CD1 | 31.000 | 1 |
26552 | 123 | CD1 | 57.5347 | |
26552 | 126 | CD1 | 55.2107 | |
26552 | 134 | CD1 | 56.3497 | |
26552 | 151 | CD1 | 55.7087 | |
26552 | 32 | CD1 | 55.3467 | |
26552 | 42 | CD1 | 57.4867 | |
26552 | 55 | CD1 | 53.7927 | |
26552 | 78 | CD1 | 55.7967 | |
26552 | 88 | CD1 | 57.5997 | |
26593 | 93 | CD1 | 50.34 | 2 |
30133 | 35 | CD1 | 31.510 | 9 |
30446 | 4 | CD1 | 31.832 | |
30447 | 4 | CD1 | 31.832 | |
34022 | 101 | CD1 | 55.2107 | |
34022 | 109 | CD1 | 56.3497 | |
34022 | 126 | CD1 | 55.7087 | |
34022 | 17 | CD1 | 57.4867 | |
34022 | 30 | CD1 | 53.7927 | |
34022 | 53 | CD1 | 55.7967 | |
34022 | 63 | CD1 | 57.5997 | |
34022 | 7 | CD1 | 55.3467 | |
34022 | 98 | CD1 | 57.5347 | |
50022 | 114 | CD1 | 41.227 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1975 | 56 | CD1 | 18.63 | 1 |
1975 | 75 | CD1 | 16.99 | 1 |
1977 | 75 | CD1 | 16.91 | 1 |
4127 | 14 | CD1 | 18.3 | 2 |
4132 | 102 | CD1 | 0.73 | 2 |
4136 | 20 | CD1 | 17.30 | 2 |
4202 | 106 | CD1 | 14.5 | 1 |
4214 | 100 | CD1 | 17.515 | |
4313 | 115 | CD1 | 12.7 | 2 |
4317 | 69 | CD1 | 16.4 | 2 |
4380 | 78 | CD1 | 13.77 | 2 |
4431 | 106 | CD1 | 15.3 | 1 |
4431 | 136 | CD1 | 15.7 | 2 |
4431 | 15 | CD1 | 17.3 | 2 |
4431 | 40 | CD1 | 17.6 | 2 |
4431 | 42 | CD1 | 18.2 | 2 |
4431 | 57 | CD1 | 17.9 | 2 |
4431 | 95 | CD1 | 11.7 | 2 |
4661 | 61 | CD1 | 17.5 | 1 |
4775 | 64 | CD1 | 17.91 | 1 |
4929 | 48 | CD1 | 17.14 | 2 |
4953 | 49 | CD1 | 14.935 | 1 |
4953 | 87 | CD1 | 11.851 | 1 |
5312 | 15 | CD1 | 17.8 | 2 |
5312 | 51 | CD1 | 18.4 | 2 |
5312 | 79 | CD1 | 18.6 | 2 |
5755 | 20 | CD1 | 18.03 | 1 |
5899 | 52 | CD1 | 14.469 | |
5899 | 66 | CD1 | 15.214 | |
5929 | 120 | CD1 | 18.6 | 1 |
5970 | 118 | CD1 | 10.945 | 1 |
5970 | 31 | CD1 | 12.379 | 1 |
5982 | 69 | CD1 | 18.380 | |
5992 | 49 | CD1 | 16.9 | 1 |
6049 | 78 | CD1 | 18.598 | |
6073 | 13 | CD1 | 18.47 | |
6147 | 108 | CD1 | 16.764 | 1 |
6330 | 153 | CD1 | 16.7 | 1 |
6336 | 153 | CD1 | 17.0 | 1 |
6348 | 29 | CD1 | 17.7 | |
6348 | 32 | CD1 | 16.5 | |
6348 | 35 | CD1 | 17.8 | |
6444 | 77 | CD1 | 18.315 | |
6644 | 127 | CD1 | 18.46 | 2 |
6709 | 144 | CD1 | 18.032 | 1 |
6727 | 31 | CD1 | 16.92 | 2 |
7019 | 28 | CD1 | 17.225 | 1 |
7089 | 113 | CD1 | 17.600 | 1 |
7119 | 119 | CD1 | 16.932 | 1 |
7287 | 69 | CD1 | 16.958 | 1 |
7287 | 98 | CD1 | 17.982 | 1 |
11034 | 46 | CD1 | 18.620 | 1 |
11080 | 39 | CD1 | 14.288 | 2 |
11124 | 48 | CD1 | 18.619 | 2 |
15007 | 23 | CD1 | 5.1 | 2 |
15315 | 130 | CD1 | 18.586 | 1 |
15485 | 29 | CD1 | 16.087 | |
15487 | 54 | CD1 | 15.854 | |
15540 | 26 | CD1 | 18.07 | 2 |
15826 | 134 | CD1 | 17.515 | 2 |
15826 | 210 | CD1 | 15.097 | 2 |
15912 | 104 | CD1 | 18.33 | 1 |
16002 | 28 | CD1 | 17.3100 | 2 |
16058 | 18 | CD1 | 16.249 | 1 |
16115 | 127 | CD1 | 17.875 | 2 |
16207 | 42 | CD1 | 16.804 | 1 |
16534 | 17 | CD1 | 0.763 | 1 |
16597 | 2 | CD1 | 15.6 | 2 |
16708 | 197 | CD1 | 18.6 | 1 |
16708 | 5 | CD1 | 18.3 | 1 |
16809 | 102 | CD1 | 18.33 | 1 |
17067 | 48 | CD1 | 17.7 | 1 |
17067 | 60 | CD1 | 13.9 | 1 |
17092 | 12 | CD1 | 17.65 | 2 |
17109 | 19 | CD1 | 17.575 | 2 |
17173 | 109 | CD1 | 17.400 | 1 |
17173 | 128 | CD1 | 14.338 | 1 |
17456 | 22 | CD1 | 17.027 | 1 |
17479 | 208 | CD1 | 18.333 | 1 |
17900 | 30 | CD1 | 17.655 | 1 |
17907 | 94 | CD1 | 12.680 | 1 |
18152 | 19 | CD1 | 17.575 | 2 |
18388 | 17 | CD1 | 17.668 | 2 |
18692 | 17 | CD1 | 18.0000 | 1 |
18801 | 12 | CD1 | 16.849 | |
18864 | 39 | CD1 | 14.288 | 2 |
18958 | 33 | CD1 | 18.193 | 1 |
18982 | 11 | CD1 | 0.683 | 1 |
18982 | 7 | CD1 | 0.912 | 1 |
19232 | 53 | CD1 | 18.280 | 1 |
19286 | 112 | CD1 | 15.32 | |
19446 | 71 | CD1 | 18.438 | 1 |
19775 | 79 | CD1 | 16.591 | 1 |
19778 | 79 | CD1 | 16.930 | |
19792 | 76 | CD1 | 15.794 | |
19834 | 115 | CD1 | 16.034 | |
19851 | 70 | CD1 | 18.445 | 2 |
19857 | 37 | CD1 | 16.304 | 1 |
19954 | 109 | CD1 | 17.693 | |
19954 | 128 | CD1 | 14.946 | |
25132 | 121 | CD1 | 16.192 | 1 |
25379 | 160 | CD1 | 18.514 | 1 |
25379 | 91 | CD1 | 17.7 | 1 |
25573 | 87 | CD1 | 17.3535 | 2 |
25681 | 26 | CD1 | 7.021 | |
25681 | 36 | CD1 | 1.335 | |
25810 | 136 | CD1 | 17.7091 | 2 |
25833 | 37 | CD1 | 17.630 | 1 |
25859 | 113 | CD1 | 17.600 | 1 |
25972 | 50 | CD1 | 17.053 | |
25973 | 50 | CD1 | 16.916 | |
26012 | 199 | CD1 | 12.174 | |
26689 | 44 | CD1 | 15.793 | |
27055 | 67 | CD1 | 14.555 | |
27059 | 207 | CD1 | 17.400 | |
27059 | 92 | CD1 | 18.100 | |
27078 | 129 | CD1 | 18.1 | 1 |
27240 | 46 | CD1 | 17.698 | |
27284 | 9 | CD1 | 14.381 | |
27435 | 15 | CD1 | 17.706 | 2 |
27623 | 79 | CD1 | 18.5700 | 2 |
27726 | 111 | CD1 | 17.54 | 2 |
27879 | 406 | CD1 | 17.997 | 1 |
30133 | 178 | CD1 | 14.950 | 9 |
30133 | 23 | CD1 | 17.603 | 9 |
30133 | 84 | CD1 | 12.154 | 9 |
30326 | 130 | CD1 | 18.051 | 1 |
30375 | 168 | CD1 | 18.140 | |
30375 | 8 | CD1 | 18.158 | |
30424 | 22 | CD1 | 0.946 | |
30882 | 2 | CD1 | 15.446 | |
34131 | 60 | CD1 | 17.011 | 1 |
34260 | 108 | CD1 | 18.605 | |
34329 | 82 | CD1 | 18.164 | 1 |
34520 | 31 | CD1 | 17.5 | 1 |
34811 | 18 | CD1 | 18.541 | 1 |
50299 | 13 | CD1 | 17.819 | |
50299 | 26 | CD1 | 16.299 | |
50976 | 27 | CD1 | 18.0 | |
51312 | 61 | CD1 | 0.898 | 2 |
51312 | 64 | CD1 | 0.892 | 2 |
51313 | 39 | CD1 | 0.438 | 2 |
51495 | 93 | CD1 | 17.204 | 1 |
51692 | 444 | CD1 | 18.52 | 1 |
51692 | 560 | CD1 | 18.427 | 1 |
51978 | 71 | CD1 | 17.671 | |
52009 | 113 | CD1 | 15.139 | |
52210 | 16 | CD1 | 17.04775086 | 2 |
52412 | 148 | CD1 | 18.423 |