Average chemical shift: 24.1
Standard deviation: 1.67
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4082 | 111 | CD2 | 29.2 | 1 |
4150 | 12 | CD2 | 63.704 | |
4150 | 20 | CD2 | 64.257 | |
4150 | 24 | CD2 | 62.782 | |
4150 | 26 | CD2 | 64.564 | |
4150 | 39 | CD2 | 63.537 | |
4150 | 73 | CD2 | 59.539 | |
4649 | 78 | CD2 | 64.9220 | |
4740 | 54 | CD2 | 29.8 | 2 |
4954 | 63 | CD2 | 29.55 | 1 |
4995 | 17 | CD2 | 30.4 | 2 |
4995 | 7 | CD2 | 30.4 | 2 |
5054 | 61 | CD2 | 29.6 | 1 |
5179 | 11 | CD2 | 71.180 | |
5179 | 13 | CD2 | 73.480 | |
5179 | 36 | CD2 | 71.980 | |
5179 | 38 | CD2 | 72.980 | |
5179 | 46 | CD2 | 73.280 | |
5564 | 69 | CD2 | 29.60 | 1 |
5631 | 23 | CD2 | 60.60 | 1 |
5631 | 59 | CD2 | 58.40 | 1 |
5631 | 60 | CD2 | 60.10 | 1 |
5631 | 8 | CD2 | 59.50 | 1 |
5631 | 85 | CD2 | 57.80 | 1 |
5631 | 86 | CD2 | 58.40 | 1 |
5631 | 95 | CD2 | 61.20 | 1 |
5791 | 6 | CD2 | 41.770 | 1 |
10011 | 68 | CD2 | 29.524 | 1 |
10030 | 46 | CD2 | 29.140 | 2 |
11055 | 72 | CD2 | 116.300 | 2 |
15873 | 12 | CD2 | 45.573 | 1 |
15873 | 15 | CD2 | 40.921 | 1 |
15873 | 16 | CD2 | 44.867 | 1 |
15873 | 20 | CD2 | 43.779 | 1 |
15873 | 27 | CD2 | 41.726 | 1 |
15873 | 29 | CD2 | 43.560 | 1 |
15873 | 33 | CD2 | 43.788 | 1 |
15873 | 42 | CD2 | 43.180 | 1 |
15873 | 52 | CD2 | 41.434 | 1 |
15873 | 60 | CD2 | 45.483 | 1 |
15873 | 66 | CD2 | 42.593 | 1 |
15874 | 12 | CD2 | 45.573 | 1 |
15874 | 15 | CD2 | 40.921 | 1 |
15874 | 16 | CD2 | 44.867 | 1 |
15874 | 20 | CD2 | 43.779 | 1 |
15874 | 27 | CD2 | 41.726 | 1 |
15874 | 29 | CD2 | 43.560 | 1 |
15874 | 33 | CD2 | 43.788 | 1 |
15874 | 42 | CD2 | 43.180 | 1 |
15874 | 52 | CD2 | 41.434 | 1 |
15874 | 60 | CD2 | 45.483 | 1 |
15874 | 66 | CD2 | 42.593 | 1 |
15877 | 11 | CD2 | 52.534 | 2 |
16033 | 37 | CD2 | 30.234 | 2 |
16260 | 94 | CD2 | 29.121 | 1 |
17311 | 4 | CD2 | 30.199 | 2 |
17822 | 140 | CD2 | 29.981 | 2 |
18276 | 56 | CD2 | 29.39 | |
18340 | 14 | CD2 | 55.0153 | 1 |
18340 | 8 | CD2 | 55.1355 | 1 |
18853 | 175 | CD2 | 29.481 | 2 |
18951 | 17 | CD2 | 49.295 | 1 |
18951 | 20 | CD2 | 49.845 | 1 |
18951 | 26 | CD2 | 50.375 | 1 |
18951 | 3 | CD2 | 49.795 | 1 |
18951 | 40 | CD2 | 52.035 | 1 |
18951 | 42 | CD2 | 49.295 | 1 |
18951 | 43 | CD2 | 49.915 | 1 |
19008 | 31 | CD2 | 29.139 | 1 |
19156 | 43 | CD2 | 29.969 | 2 |
19716 | 23 | CD2 | 51.1998 | 2 |
19994 | 5 | CD2 | 54.736 | |
25382 | 24 | CD2 | 50.938 | |
25382 | 33 | CD2 | 50.814 | |
25382 | 47 | CD2 | 50.272 | |
25382 | 59 | CD2 | 51.449 | |
25382 | 73 | CD2 | 50.995 | |
25382 | 84 | CD2 | 50.417 | |
25832 | 115 | CD2 | 29.957 | 1 |
26016 | 105 | CD2 | 29.453 | 2 |
26552 | 107 | CD2 | 56.6717 | |
26552 | 110 | CD2 | 54.3277 | |
26552 | 126 | CD2 | 55.2427 | |
26552 | 158 | CD2 | 56.6127 | |
26552 | 32 | CD2 | 55.3807 | |
26552 | 42 | CD2 | 54.7887 | |
26552 | 55 | CD2 | 55.7867 | |
26552 | 78 | CD2 | 55.7037 | |
26552 | 82 | CD2 | 57.6977 | |
26552 | 88 | CD2 | 54.6087 | |
26593 | 93 | CD2 | 50.34 | 2 |
28131 | 21 | CD2 | 40.46 | |
30133 | 35 | CD2 | 31.339 | 9 |
30193 | 31 | CD2 | 29.1390 | 1 |
30446 | 4 | CD2 | 32.515 | |
30447 | 4 | CD2 | 32.515 | |
30958 | 36 | CD2 | 29.191 | |
34022 | 101 | CD2 | 55.2427 | |
34022 | 133 | CD2 | 56.6127 | |
34022 | 17 | CD2 | 54.7887 | |
34022 | 30 | CD2 | 55.7867 | |
34022 | 53 | CD2 | 55.7037 | |
34022 | 57 | CD2 | 57.6977 | |
34022 | 63 | CD2 | 54.6087 | |
34022 | 7 | CD2 | 55.3807 | |
34022 | 82 | CD2 | 56.6717 | |
34022 | 85 | CD2 | 54.3277 | |
34121 | 225 | CD2 | 29.875 | 1 |
34487 | 49 | CD2 | 29.898 | 1 |
36114 | 27 | CD2 | 29.217 | 2 |
50022 | 114 | CD2 | 41.227 | |
50355 | 133 | CD2 | 29.723 | 1 |
50357 | 133 | CD2 | 29.482 | 1 |
50749 | 125 | CD2 | 29.119 | 1 |
51188 | 12 | CD2 | 29.398 | 2 |
51651 | 29 | CD2 | 29.618 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1580 | 141 | CD2 | 18.5 | 2 |
1736 | 68 | CD2 | 18.8 | 1 |
1975 | 75 | CD2 | 16.99 | 1 |
1977 | 75 | CD2 | 16.91 | 1 |
4049 | 91 | CD2 | 18.5 | 2 |
4127 | 103 | CD2 | 18.9 | 1 |
4136 | 20 | CD2 | 17.30 | 2 |
4317 | 69 | CD2 | 16.0 | 2 |
4330 | 158 | CD2 | 17.121 | |
4431 | 40 | CD2 | 14.2 | 2 |
4431 | 42 | CD2 | 12.5 | 2 |
4431 | 56 | CD2 | 16.4 | 2 |
4431 | 96 | CD2 | 14.5 | 2 |
4448 | 80 | CD2 | 6.0 | 1 |
4583 | 21 | CD2 | 17.45 | |
4777 | 30 | CD2 | 18.5 | 1 |
4786 | 27 | CD2 | 18.1 | 1 |
4839 | 33 | CD2 | 13.59 | 9 |
4858 | 80 | CD2 | 18.8 | 2 |
4953 | 49 | CD2 | 14.900 | 1 |
4984 | 69 | CD2 | 18.69 | 1 |
5000 | 7 | CD2 | 17.02 | 1 |
5225 | 20 | CD2 | 17.31 | 2 |
5312 | 66 | CD2 | 16.4 | 2 |
5324 | 25 | CD2 | 18.993 | 1 |
5377 | 12 | CD2 | 12.95 | 2 |
5377 | 44 | CD2 | 17.98 | 2 |
5389 | 61 | CD2 | 18.8 | 1 |
5558 | 82 | CD2 | 18.774 | 1 |
5742 | 9 | CD2 | 18.780 | |
5755 | 20 | CD2 | 17.00 | 1 |
5866 | 82 | CD2 | 16.4 | 2 |
5887 | 105 | CD2 | 18.5 | 2 |
5929 | 44 | CD2 | 18.7 | 1 |
5931 | 103 | CD2 | 18.909 | 2 |
5982 | 69 | CD2 | 18.210 | |
5983 | 123 | CD2 | 15.90 | 1 |
6073 | 119 | CD2 | 17.97 | |
6080 | 114 | CD2 | 18.104 | 1 |
6080 | 117 | CD2 | 18.793 | 1 |
6080 | 85 | CD2 | 18.754 | 1 |
6114 | 101 | CD2 | 17.0 | 1 |
6125 | 47 | CD2 | 17.7 | 1 |
6147 | 47 | CD2 | 18.697 | 1 |
6150 | 132 | CD2 | 18.880 | 1 |
6231 | 111 | CD2 | 18.18 | 1 |
6348 | 19 | CD2 | 18.5 | |
6348 | 20 | CD2 | 18.6 | |
6348 | 23 | CD2 | 18.8 | |
6348 | 3 | CD2 | 18.4 | |
6484 | 9 | CD2 | 18.81 | 1 |
6531 | 9 | CD2 | 14.440 | |
6563 | 9 | CD2 | 18.933 | 2 |
6612 | 66 | CD2 | 18.6 | |
6644 | 130 | CD2 | 18.93 | 2 |
6645 | 44 | CD2 | 18.95 | 2 |
6645 | 9 | CD2 | 19.03 | 2 |
6709 | 144 | CD2 | 18.032 | 1 |
6727 | 31 | CD2 | 12.946 | 2 |
6730 | 17 | CD2 | 18.469 | |
6787 | 121 | CD2 | 18.43 | 1 |
6843 | 11 | CD2 | 18.97 | 1 |
6869 | 16 | CD2 | 19.0 | 1 |
6914 | 116 | CD2 | 18.80 | |
6944 | 98 | CD2 | 16.988 | |
7019 | 28 | CD2 | 17.216 | 1 |
7032 | 62 | CD2 | 19.03 | 1 |
7089 | 113 | CD2 | 18.100 | 1 |
7089 | 125 | CD2 | 19.000 | 1 |
7121 | 164 | CD2 | 18.5 | 1 |
7250 | 20 | CD2 | 18.969 | 2 |
7250 | 63 | CD2 | 18.834 | 2 |
7256 | 62 | CD2 | 18.7 | 1 |
7309 | 64 | CD2 | 18.563 | 1 |
7359 | 12 | CD2 | 18.571 | 1 |
7360 | 12 | CD2 | 18.673 | 1 |
7360 | 177 | CD2 | 18.089 | 1 |
7414 | 179 | CD2 | 18.839 | 1 |
7414 | 78 | CD2 | 18.830 | 1 |
10075 | 81 | CD2 | 18.370 | 2 |
10260 | 68 | CD2 | 17.550 | 2 |
10330 | 21 | CD2 | 18.976 | 2 |
10334 | 21 | CD2 | 19.029 | 2 |
11018 | 24 | CD2 | 18.44 | 1 |
11034 | 26 | CD2 | 17.448 | 1 |
11034 | 55 | CD2 | 9.860 | 1 |
11085 | 102 | CD2 | 18.384 | 2 |
11125 | 68 | CD2 | 18.539 | 2 |
11126 | 58 | CD2 | 18.819 | 2 |
11127 | 83 | CD2 | 17.773 | 2 |
11128 | 76 | CD2 | 17.814 | 2 |
11129 | 78 | CD2 | 18.819 | 2 |
11138 | 82 | CD2 | 19.041 | 2 |
11142 | 58 | CD2 | 18.337 | 2 |
11143 | 106 | CD2 | 18.935 | 2 |
11143 | 60 | CD2 | 18.832 | 2 |
11146 | 105 | CD2 | 18.379 | 2 |
11146 | 92 | CD2 | 18.073 | 2 |
11175 | 58 | CD2 | 17.600 | 1 |
11214 | 44 | CD2 | 18.999 | 2 |
11236 | 47 | CD2 | 18.201 | 2 |
11280 | 75 | CD2 | 18.909 | 2 |
11292 | 77 | CD2 | 18.828 | 2 |
15114 | 20 | CD2 | 19.077 | 1 |
15114 | 63 | CD2 | 18.635 | 1 |
15116 | 20 | CD2 | 18.921 | 1 |
15116 | 63 | CD2 | 18.838 | 1 |
15120 | 147 | CD2 | 18.29 | |
15361 | 34 | CD2 | 18.971 | 1 |
15470 | 32 | CD2 | 18.346 | 2 |
15487 | 54 | CD2 | 11.706 | |
15487 | 87 | CD2 | 15.196 | |
15507 | 107 | CD2 | 18.902 | 1 |
15540 | 26 | CD2 | 18.07 | 2 |
15578 | 120 | CD2 | 19.032 | 1 |
15578 | 77 | CD2 | 18.824 | 1 |
15669 | 69 | CD2 | 18.79 | 1 |
15763 | 60 | CD2 | 19.0 | 1 |
15813 | 99 | CD2 | 16.975 | 2 |
15826 | 77 | CD2 | 18.618 | 2 |
15912 | 100 | CD2 | 17.74 | 1 |
15912 | 100 | CD2 | 17.78 | 1 |
15912 | 24 | CD2 | 18.44 | 1 |
15912 | 24 | CD2 | 18.46 | 1 |
15943 | 22 | CD2 | 18.41 | 1 |
15949 | 85 | CD2 | 16.806 | |
16045 | 86 | CD2 | 18.057 | 2 |
16050 | 41 | CD2 | 18 | 2 |
16097 | 136 | CD2 | 18.394 | 1 |
16114 | 59 | CD2 | 17.057 | 2 |
16115 | 127 | CD2 | 13.187 | 2 |
16160 | 79 | CD2 | 18.257 | 2 |
16164 | 43 | CD2 | 19.001 | 1 |
16278 | 115 | CD2 | 18.947 | 2 |
16345 | 56 | CD2 | 18.873 | 2 |
16534 | 100 | CD2 | 17.722 | 1 |
16534 | 46 | CD2 | 0.622 | 1 |
16597 | 2 | CD2 | 15.6 | 2 |
16712 | 19 | CD2 | 18.981 | 1 |
16713 | 19 | CD2 | 18.976 | 1 |
16809 | 24 | CD2 | 18.44 | 1 |
16809 | 24 | CD2 | 18.46 | 1 |
16809 | 98 | CD2 | 17.74 | 1 |
16809 | 98 | CD2 | 17.78 | 1 |
16832 | 56 | CD2 | 18.54 | 2 |
16884 | 19 | CD2 | 18.3 | 1 |
16884 | 29 | CD2 | 18.1 | 1 |
16884 | 51 | CD2 | 17.4 | 1 |
16884 | 83 | CD2 | 18.2 | 1 |
16884 | 87 | CD2 | 18.6 | 1 |
16887 | 20 | CD2 | 18.204 | 2 |
16887 | 63 | CD2 | 18.585 | 2 |
16888 | 21 | CD2 | 18.204 | 2 |
16888 | 64 | CD2 | 18.585 | 2 |
16889 | 21 | CD2 | 18.204 | 2 |
16889 | 64 | CD2 | 18.585 | 2 |
16971 | 53 | CD2 | 17.13 | 1 |
17009 | 62 | CD2 | 15.247 | 2 |
17027 | 71 | CD2 | 19.005 | 1 |
17067 | 108 | CD2 | 14.1 | 1 |
17067 | 60 | CD2 | 6.8 | 1 |
17289 | 113 | CD2 | 18.684 | 2 |
17425 | 18 | CD2 | 18.8647 | 1 |
17425 | 45 | CD2 | 15.1575 | 1 |
17443 | 113 | CD2 | 18.240 | 2 |
17443 | 9 | CD2 | 18.726 | 2 |
17456 | 36 | CD2 | 18.356 | 1 |
17477 | 160 | CD2 | 18.996 | 1 |
17576 | 152 | CD2 | 13.212 | 2 |
17582 | 152 | CD2 | 13.420 | 2 |
17700 | 103 | CD2 | 18.40 | |
17777 | 64 | CD2 | 18.947 | 2 |
17799 | 88 | CD2 | 18.549 | 2 |
17900 | 30 | CD2 | 17.282 | 1 |
17974 | 61 | CD2 | 18.420 | 2 |
18027 | 39 | CD2 | 17.031 | 1 |
18048 | 70 | CD2 | 18.5 | 1 |
18388 | 17 | CD2 | 11.493 | 2 |
18389 | 142 | CD2 | 18.853 | 2 |
18435 | 105 | CD2 | 14.86 | 1 |
18435 | 42 | CD2 | 18.93 | 1 |
18574 | 26 | CD2 | 18.91 | 2 |
18575 | 26 | CD2 | 19.00 | 2 |
18692 | 17 | CD2 | 14.8000 | 1 |
18801 | 71 | CD2 | 18.859 | |
18934 | 123 | CD2 | 18.549 | 1 |
18934 | 61 | CD2 | 19.010 | 1 |
18982 | 11 | CD2 | 0.280 | 1 |
18982 | 7 | CD2 | 0.471 | 1 |
19033 | 44 | CD2 | 18.875 | 2 |
19077 | 26 | CD2 | 18.719 | 1 |
19077 | 27 | CD2 | 18.639 | 1 |
19362 | 46 | CD2 | 18.819 | 2 |
19394 | 53 | CD2 | 18.622 | 1 |
19400 | 168 | CD2 | 18.7245 | 2 |
19400 | 66 | CD2 | 17.0984 | 2 |
19400 | 78 | CD2 | 18.4947 | 2 |
19413 | 186 | CD2 | 18.659 | 1 |
19417 | 180 | CD2 | 18.629 | 1 |
19495 | 15 | CD2 | 18.450 | 1 |
19496 | 111 | CD2 | 18.830 | 1 |
19586 | 116 | CD2 | 16.482 | 1 |
19664 | 185 | CD2 | 17.266 | 1 |
19715 | 35 | CD2 | 18.41 | 2 |
19737 | 21 | CD2 | 5.973 | 1 |
19775 | 67 | CD2 | 18.434 | 1 |
19776 | 61 | CD2 | 18.202 | |
19777 | 61 | CD2 | 18.301 | |
19834 | 21 | CD2 | 18.547 | |
19858 | 62 | CD2 | 16.500 | 1 |
25040 | 94 | CD2 | 18.946 | 1 |
25043 | 93 | CD2 | 18.877 | 1 |
25132 | 121 | CD2 | 17.604 | 1 |
25157 | 102 | CD2 | 15.8 | 2 |
25225 | 77 | CD2 | 18.760 | 1 |
25226 | 77 | CD2 | 18.760 | 1 |
25238 | 15 | CD2 | 18.899 | |
25259 | 146 | CD2 | 19.036 | 2 |
25379 | 136 | CD2 | 18.43 | 1 |
25379 | 33 | CD2 | 16.996 | 1 |
25379 | 51 | CD2 | 19.03 | 1 |
25379 | 85 | CD2 | 18.355 | 1 |
25379 | 92 | CD2 | 16.938 | 1 |
25428 | 73 | CD2 | 18.860 | |
25573 | 115 | CD2 | 18.5217 | 2 |
25573 | 62 | CD2 | 18.7968 | 2 |
25573 | 87 | CD2 | 18.5487 | 2 |
25582 | 7 | CD2 | 18.553 | 1 |
25681 | 26 | CD2 | 2.058 | |
25681 | 36 | CD2 | 1.363 | |
25745 | 22 | CD2 | 19.004 | 2 |
25760 | 79 | CD2 | 17.232 | |
25761 | 76 | CD2 | 18.857 | |
25803 | 66 | CD2 | 18.960 | 2 |
25828 | 58 | CD2 | 18.400 | 1 |
25833 | 58 | CD2 | 18.400 | 1 |
25859 | 113 | CD2 | 18.100 | 1 |
25859 | 125 | CD2 | 19.000 | 1 |
25924 | 17 | CD2 | 18.833 | |
25970 | 73 | CD2 | 18.964 | |
26012 | 177 | CD2 | 10.193 | |
26580 | 50 | CD2 | 18.794 | 2 |
26580 | 50 | CD2 | 19.004 | 2 |
26619 | 14 | CD2 | 19.042 | |
26620 | 14 | CD2 | 18.938 | |
26620 | 63 | CD2 | 18.546 | |
26689 | 44 | CD2 | 15.793 | |
26717 | 115 | CD2 | 18.6 | 1 |
26771 | 38 | CD2 | 19.072 | 2 |
26805 | 174 | CD2 | 17.786 | |
27055 | 11 | CD2 | 11.810 | |
27059 | 268 | CD2 | 17.200 | |
27078 | 129 | CD2 | 18.2 | 1 |
27078 | 160 | CD2 | 18.0 | 1 |
27726 | 145 | CD2 | 18.88 | 2 |
27726 | 170 | CD2 | 18.36 | 2 |
27726 | 25 | CD2 | 18.41 | 2 |
28101 | 84 | CD2 | 15.868 | |
28132 | 79 | CD2 | 17.305 | |
30133 | 178 | CD2 | 14.626 | 9 |
30133 | 23 | CD2 | 17.448 | 9 |
30133 | 84 | CD2 | 11.765 | 9 |
30133 | 85 | CD2 | 19.080 | 9 |
30139 | 68 | CD2 | 18.70 | 1 |
30189 | 180 | CD2 | 18.708 | 1 |
30325 | 34 | CD2 | 18.87 | 1 |
30375 | 84 | CD2 | 18.507 | |
30515 | 109 | CD2 | 18.054 | 1 |
30515 | 75 | CD2 | 18.87 | 1 |
30537 | 44 | CD2 | 18.6 | 1 |
30676 | 36 | CD2 | 16.225 | |
30925 | 36 | CD2 | 16.225 | |
31030 | 3 | CD2 | 17.530 | 2 |
31085 | 11 | CD2 | 18.30 | 1 |
31085 | 20 | CD2 | 18.60 | 1 |
31085 | 21 | CD2 | 18.80 | 1 |
34041 | 59 | CD2 | 18.773 | 2 |
34131 | 38 | CD2 | 18.599 | 1 |
34131 | 60 | CD2 | 13.167 | 1 |
34131 | 79 | CD2 | 17.964 | 1 |
34260 | 66 | CD2 | 18.49 | |
34454 | 17 | CD2 | 19.000 | 1 |
34520 | 31 | CD2 | 17.5 | 1 |
34547 | 77 | CD2 | 18.760 | 2 |
34548 | 77 | CD2 | 18.760 | 2 |
34555 | 24 | CD2 | 18.432 | |
34556 | 59 | CD2 | 18.361 | |
34566 | 35 | CD2 | 18.769 | 1 |
34566 | 37 | CD2 | 18.038 | 1 |
36037 | 89 | CD2 | 18.958 | |
36048 | 89 | CD2 | 16.870 | |
50009 | 227 | CD2 | 18.445 | 2 |
50283 | 107 | CD2 | 8.1807800 | |
50284 | 107 | CD2 | 8.1765930 | |
50285 | 107 | CD2 | 8.2117010 | |
50299 | 13 | CD2 | 17.819 | |
50412 | 192 | CD2 | 18.7086 | 1 |
50976 | 27 | CD2 | 18.0 | |
51313 | 64 | CD2 | 17.718 | 2 |
51495 | 93 | CD2 | 12.517 | 1 |
51692 | 23 | CD2 | 18.345 | 1 |
51692 | 535 | CD2 | 18.336 | 1 |
51991 | 47 | CD2 | 19.074 |