Average chemical shift: 50.346
Standard deviation: 1.044
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1734 | 25 | CD | 61.5 | 1 |
4053 | 117 | CD | 58.57 | |
4078 | 59 | CD | 59.9 | 1 |
4150 | 31 | CD | 90.027 | |
4150 | 8 | CD | 89.499 | |
4150 | 9 | CD | 89.795 | |
4296 | 62 | CD | 56.0 | 1 |
4679 | 74 | CD | 53.9400 | |
4848 | 19 | CD | 55.75 | |
5179 | 14 | CD | 98.180 | |
5179 | 26 | CD | 98.280 | |
5179 | 27 | CD | 98.080 | |
5179 | 28 | CD | 97.580 | |
5179 | 29 | CD | 96.780 | |
5179 | 40 | CD | 98.380 | |
5179 | 70 | CD | 96.880 | |
5179 | 76 | CD | 98.580 | |
5817 | 7 | CD | 55.860 | 1 |
5974 | 129 | CD | 56.972 | 1 |
6144 | 9 | CD | 66.221 | 1 |
6289 | 7 | CD | 53.59 | 1 |
6334 | 84 | CD | 56.91 | 1 |
6502 | 30 | CD | 56.986 | 1 |
6566 | 11 | CD | 57.090 | 1 |
6590 | 98 | CD | 53.74 | 1 |
6725 | 48 | CD | 53.67 | 1 |
6725 | 84 | CD | 53.78 | 1 |
6725 | 96 | CD | 54.34 | 1 |
6923 | 134 | CD | 56.067 | 1 |
7268 | 16 | CD | 55.104 | 1 |
15253 | 111 | CD | 54.07 | 1 |
15440 | 105 | CD | 58.300 | 1 |
15440 | 88 | CD | 54.463 | 1 |
15689 | 27 | CD | 58.259 | 1 |
15689 | 46 | CD | 58.259 | 1 |
15689 | 91 | CD | 58.259 | 1 |
15689 | 98 | CD | 58.259 | 1 |
15715 | 46 | CD | 57.2 | 1 |
15716 | 67 | CD | 55.2 | 1 |
15903 | 50 | CD | 56.18 | 1 |
16277 | 80 | CD | 55.868 | 1 |
16708 | 38 | CD | 54.3 | 1 |
16787 | 112 | CD | 54.119 | 1 |
16787 | 135 | CD | 55.131 | 1 |
16787 | 36 | CD | 55.286 | 1 |
16804 | 112 | CD | 54.119 | 1 |
16804 | 135 | CD | 55.131 | 1 |
16804 | 36 | CD | 55.286 | 1 |
17109 | 124 | CD | 55.846 | 1 |
17148 | 14 | CD | 53.587 | 1 |
17428 | 45 | CD | 56.8850 | 1 |
17866 | 42 | CD | 55.14 | 1 |
18321 | 101 | CD | 53.9761 | 1 |
18333 | 101 | CD | 53.9761 | 1 |
18856 | 35 | CD | 58.687 | |
18856 | 74 | CD | 54.349 | |
18934 | 150 | CD | 54.973 | 1 |
18961 | 14 | CD | 58.812 | 1 |
19079 | 68 | CD | 54.126 | |
19156 | 110 | CD | 53.954 | 1 |
19156 | 17 | CD | 53.657 | 1 |
19156 | 70 | CD | 53.482 | 1 |
19556 | 7 | CD | 58.3642 | 1 |
19834 | 130 | CD | 53.833 | |
19834 | 14 | CD | 55.787 | |
19834 | 201 | CD | 56.256 | |
19834 | 7 | CD | 54.837 | |
19858 | 46 | CD | 64.547 | 1 |
19866 | 57 | CD | 57.000 | |
25159 | 18 | CD | 53.9730 | 1 |
25159 | 19 | CD | 53.9730 | 1 |
25442 | 4 | CD | 350.648 | |
25442 | 6 | CD | 350.145 | |
26717 | 220 | CD | 54.4 | 1 |
26738 | 101 | CD | 55.849 | 1 |
26780 | 140 | CD | 55.451 | 1 |
26889 | 49 | CD | 57.43 | 1 |
27170 | 63 | CD | 56.991 | 1 |
27170 | 68 | CD | 54.353 | 1 |
27590 | 2 | CD | 54.774 | 1 |
28099 | 108 | CD | 57.532 | 1 |
28099 | 4 | CD | 53.712 | 1 |
30024 | 39 | CD | 56.010 | |
30323 | 5 | CD | 54.112 | |
30324 | 36 | CD | 53.534 | |
30324 | 5 | CD | 53.641 | |
30353 | 35 | CD | 53.580 | 1 |
30597 | 19 | CD | 53.997 | |
30597 | 29 | CD | 54.399 | |
30597 | 3 | CD | 53.503 | |
30812 | 52 | CD | 54.967 | |
31102 | 17 | CD | 54.289 | |
34066 | 7 | CD | 53.721 | 1 |
34121 | 172 | CD | 53.489 | 1 |
34226 | 42 | CD | 54.441 | 1 |
36061 | 92 | CD | 54.733 | 1 |
50269 | 20 | CD | 57.10 | 1 |
50464 | 17 | CD | 54.482 | 1 |
51258 | 89 | CD | 53.479 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1736 | 30 | CD | 46.1 | 1 |
4078 | 112 | CD | 35.8 | 1 |
4078 | 36 | CD | 42.6 | 1 |
4106 | 165 | CD | 43.69 | |
4116 | 64 | CD | 47.20 | 1 |
4127 | 7 | CD | 46.3 | 1 |
4202 | 62 | CD | 34.0 | 1 |
4264 | 165 | CD | 43.71 | 1 |
4284 | 43 | CD | 43.301 | 1 |
4284 | 66 | CD | 40.442 | 1 |
4478 | 54 | CD | 46.5 | 1 |
4621 | 41 | CD | 47.2 | |
4777 | 28 | CD | 47.0 | 1 |
4781 | 31 | CD | 4.987 | 1 |
4848 | 125 | CD | 45.11 | |
4848 | 199 | CD | 45.35 | |
4854 | 125 | CD | 45.31 | |
4858 | 27 | CD | 47.1 | 1 |
4869 | 21 | CD | 47.0 | 1 |
4869 | 44 | CD | 47.1 | 1 |
4869 | 64 | CD | 47.1 | 1 |
4869 | 69 | CD | 46.9 | 1 |
4912 | 52 | CD | 26.9600 | 1 |
5000 | 50 | CD | 47.03 | 1 |
5254 | 12 | CD | 45.67 | 1 |
5299 | 164 | CD | 42.090 | 1 |
5303 | 48 | CD | 43.882 | 1 |
5352 | 107 | CD | 46.43 | |
5407 | 40 | CD | 47.073 | |
5407 | 54 | CD | 47.05 | |
5455 | 60 | CD | 47.0 | 1 |
5594 | 39 | CD | 47.11 | 1 |
5631 | 21 | CD | 14.50 | 1 |
5631 | 37 | CD | 13.60 | 1 |
5631 | 40 | CD | 14.50 | 1 |
5631 | 52 | CD | 15.70 | 1 |
5631 | 55 | CD | 14.00 | 1 |
5631 | 62 | CD | 14.80 | 1 |
5657 | 49 | CD | 46.3 | 1 |
5711 | 15 | CD | 47.2 | 1 |
5741 | 130 | CD | 43.45 | 1 |
5813 | 106 | CD | 46.717 | 1 |
5820 | 29 | CD | 40.046 | |
5887 | 75 | CD | 45.8 | 1 |
5894 | 39 | CD | 46.55 | 1 |
5902 | 103 | CD | 42.976 | 1 |
5902 | 37 | CD | 42.038 | 1 |
5929 | 112 | CD | 47.2 | 1 |
5929 | 131 | CD | 47.1 | 1 |
5929 | 39 | CD | 47.0 | 1 |
6080 | 76 | CD | 46.03 | 1 |
6080 | 96 | CD | 46.816 | 1 |
6348 | 17 | CD | 45.5 | |
6348 | 38 | CD | 46.6 | |
6348 | 42 | CD | 46.1 | |
6571 | 34 | CD | 40.133 | 1 |
6645 | 22 | CD | 46.83 | 1 |
6723 | 108 | CD | 26.733 | |
6723 | 128 | CD | 27.099 | |
6821 | 66 | CD | 45.671 | |
6821 | 74 | CD | 47.175 | |
6903 | 26 | CD | 47.1650 | 1 |
6903 | 63 | CD | 46.3200 | 1 |
6904 | 63 | CD | 46.640 | 1 |
6911 | 55 | CD | 46.749 | 1 |
7019 | 109 | CD | 46.710 | 1 |
7019 | 110 | CD | 46.732 | 1 |
7021 | 35 | CD | 45.400 | 1 |
7121 | 122 | CD | 21.1 | 1 |
7178 | 66 | CD | 22.0 | 1 |
7257 | 47 | CD | 43.347 | 1 |
7351 | 25 | CD | 47.158 | 1 |
7359 | 100 | CD | 46.297 | 1 |
7360 | 100 | CD | 46.382 | 1 |
7414 | 3 | CD | 46.954 | 1 |
7414 | 53 | CD | 46.228 | 1 |
7414 | 86 | CD | 46.951 | 1 |
7414 | 98 | CD | 46.783 | 1 |
10240 | 65 | CD | 47.120 | 1 |
10260 | 103 | CD | 47.199 | 1 |
10260 | 51 | CD | 47.112 | 1 |
10260 | 88 | CD | 47.183 | 1 |
11001 | 117 | CD | 46.6 | 1 |
11001 | 137 | CD | 47.2 | 1 |
11001 | 42 | CD | 46.8 | 1 |
11001 | 66 | CD | 47.0 | 1 |
11011 | 106 | CD | 46.717 | 1 |
11084 | 36 | CD | 47.036 | 1 |
11125 | 59 | CD | 46.661 | 1 |
11127 | 104 | CD | 46.802 | 1 |
11128 | 12 | CD | 46.495 | 1 |
11128 | 8 | CD | 46.715 | 1 |
11132 | 27 | CD | 47.079 | 1 |
11133 | 92 | CD | 47.131 | 1 |
11141 | 71 | CD | 46.903 | 1 |
11146 | 60 | CD | 46.419 | 1 |
11147 | 105 | CD | 47.124 | 1 |
11175 | 126 | CD | 19.909 | 1 |
11175 | 2 | CD | 47.091 | 1 |
11214 | 64 | CD | 47.004 | 1 |
11214 | 74 | CD | 46.901 | 1 |
11220 | 70 | CD | 47.034 | 1 |
11222 | 75 | CD | 47.160 | 1 |
11233 | 68 | CD | 46.857 | 1 |
11233 | 82 | CD | 47.066 | 1 |
11239 | 43 | CD | 47.167 | 1 |
11242 | 65 | CD | 47.162 | 1 |
11490 | 38 | CD | 47.105 | 1 |
11495 | 117 | CD | 35.431 | 1 |
12019 | 36 | CD | 46.9 | 1 |
15010 | 120 | CD | 47.125 | 1 |
15083 | 24 | CD | 26.264 | 1 |
15084 | 24 | CD | 15.000 | 1 |
15084 | 36 | CD | 16.100 | 1 |
15092 | 83 | CD | 44.487 | 1 |
15120 | 3 | CD | 46.39 | |
15129 | 15 | CD | 23.162 | 1 |
15200 | 118 | CD | 46.400 | 1 |
15200 | 14 | CD | 45.700 | 1 |
15200 | 78 | CD | 46.900 | 1 |
15393 | 18 | CD | 47.1000 | |
15412 | 79 | CD | 45.781 | 1 |
15433 | 17 | CD | 40.700 | 1 |
15434 | 17 | CD | 40.700 | 1 |
15557 | 62 | CD | 45.100 | 1 |
15558 | 146 | CD | 44.070 | 1 |
15578 | 168 | CD | 46.964 | 1 |
15763 | 67 | CD | 46.6 | 1 |
15873 | 11 | CD | 32.315 | 1 |
15873 | 19 | CD | 31.561 | 1 |
15873 | 21 | CD | 31.235 | 1 |
15873 | 26 | CD | 32.291 | 1 |
15873 | 53 | CD | 30.980 | 1 |
15874 | 11 | CD | 32.315 | 1 |
15874 | 19 | CD | 31.561 | 1 |
15874 | 21 | CD | 31.235 | 1 |
15874 | 26 | CD | 32.291 | 1 |
15874 | 53 | CD | 30.980 | 1 |
15912 | 54 | CD | 46.72 | 1 |
15912 | 54 | CD | 47.17 | 1 |
15912 | 58 | CD | 46.72 | 1 |
15912 | 87 | CD | 46.56 | 1 |
15922 | 105 | CD | 42.971 | 1 |
16002 | 3 | CD | 47.1800 | 1 |
16002 | 58 | CD | 46.9000 | 1 |
16057 | 23 | CD | 47.160 | 1 |
16057 | 84 | CD | 47.060 | 1 |
16068 | 55 | CD | 26.900 | 1 |
16068 | 87 | CD | 27.000 | 1 |
16141 | 2 | CD | 44.37 | |
16164 | 79 | CD | 47.124 | 1 |
16164 | 84 | CD | 45.875 | 1 |
16205 | 104 | CD | 46.572 | 1 |
16205 | 51 | CD | 47.121 | 1 |
16205 | 57 | CD | 46.335 | 1 |
16248 | 57 | CD | 44.488 | 1 |
16534 | 27 | CD | 37.340 | 1 |
16544 | 28 | CD | 46.474 | 1 |
16658 | 8 | CD | 47.101 | 1 |
16708 | 11 | CD | 46.6 | 1 |
16708 | 143 | CD | 47.0 | 1 |
16712 | 62 | CD | 47.154 | 1 |
16713 | 62 | CD | 47.176 | 1 |
16787 | 45 | CD | 45.383 | 1 |
16804 | 45 | CD | 45.383 | 1 |
16809 | 54 | CD | 46.72 | 1 |
16809 | 54 | CD | 47.17 | 1 |
16809 | 56 | CD | 46.72 | 1 |
16809 | 85 | CD | 46.56 | 1 |
16872 | 64 | CD | 46.976 | 1 |
16884 | 20 | CD | 44.2 | 1 |
16884 | 34 | CD | 46.0 | 1 |
16884 | 63 | CD | 45.1 | 1 |
16884 | 9 | CD | 43.4 | 1 |
16884 | 96 | CD | 44.8 | 1 |
16887 | 68 | CD | 47.097 | 1 |
16888 | 69 | CD | 47.097 | 1 |
16889 | 69 | CD | 47.097 | 1 |
17067 | 67 | CD | 46.6 | 1 |
17103 | 54 | CD | 20.329 | 1 |
17110 | 120 | CD | 46.414 | 1 |
17144 | 29 | CD | 46.0 | 1 |
17146 | 29 | CD | 47.0 | 1 |
17160 | 29 | CD | 44.3 | 1 |
17250 | 122 | CD | 45.1 | 1 |
17278 | 76 | CD | 47.070 | 1 |
17443 | 121 | CD | 47.142 | 1 |
17443 | 28 | CD | 46.146 | 1 |
17443 | 64 | CD | 46.307 | 1 |
17443 | 68 | CD | 46.359 | 1 |
17456 | 10 | CD | 46.181 | 1 |
17456 | 28 | CD | 44.595 | 1 |
17456 | 3 | CD | 45.685 | 1 |
17456 | 55 | CD | 45.213 | 1 |
17456 | 78 | CD | 42.714 | 1 |
17479 | 194 | CD | 46.140 | 1 |
17479 | 216 | CD | 47.100 | 1 |
17581 | 7 | CD | 46.848 | 1 |
17597 | 232 | CD | 47.2 | 1 |
17693 | 14 | CD | 43.822 | 1 |
17704 | 59 | CD | 46.751 | 1 |
17704 | 76 | CD | 47.123 | 1 |
17707 | 41 | CD | 47.079 | 1 |
17707 | 80 | CD | 47.209 | 1 |
17755 | 95 | CD | 46.9470 | 1 |
17777 | 47 | CD | 47.031 | 1 |
17806 | 92 | CD | 47.177 | 1 |
17832 | 13 | CD | 47.083 | 1 |
17923 | 13 | CD | 46.609 | 1 |
17974 | 33 | CD | 46.808 | 1 |
18002 | 22 | CD | 45.360 | 1 |
18048 | 14 | CD | 47.0 | 1 |
18197 | 43 | CD | 41.109 | 1 |
18197 | 68 | CD | 42.489 | 1 |
18236 | 176 | CD | 41.767 | 9 |
18321 | 231 | CD | 42.8078 | 1 |
18333 | 231 | CD | 42.8078 | 1 |
18471 | 70 | CD | 46.291 | 1 |
18734 | 97 | CD | 46.907 | 1 |
18801 | 2 | CD | 46.777 | |
18801 | 63 | CD | 46.567 | |
18801 | 79 | CD | 47.175 | |
18934 | 170 | CD | 41.641 | 1 |
18965 | 17 | CD | 47.022 | 1 |
18965 | 18 | CD | 45.685 | 1 |
18980 | 31 | CD | 47.182 | 1 |
19033 | 10 | CD | 46.719 | 1 |
19079 | 2 | CD | 43.696 | |
19087 | 107 | CD | 37.0759 | 1 |
19095 | 102 | CD | 43.489 | 1 |
19114 | 6 | CD | 27.181 | |
19203 | 24 | CD | 47.109 | 1 |
19203 | 9 | CD | 47.055 | 1 |
19321 | 46 | CD | 47.078 | 1 |
19608 | 2 | CD | 43.967 | 1 |
19726 | 34 | CD | 46.630 | 1 |
19731 | 46 | CD | 46.853 | 1 |
19775 | 173 | CD | 45.980 | 1 |
19775 | 8 | CD | 47.005 | 1 |
19775 | 9 | CD | 46.951 | 1 |
19776 | 21 | CD | 46.470 | |
19776 | 22 | CD | 47.181 | |
19776 | 38 | CD | 46.312 | |
19776 | 54 | CD | 46.596 | |
19777 | 162 | CD | 46.144 | |
19807 | 148 | CD | 46.939 | 1 |
19851 | 23 | CD | 46.676 | 1 |
19941 | 10 | CD | 46.8388 | 1 |
19984 | 109 | CD | 42.7 | 1 |
19984 | 42 | CD | 41.9 | 1 |
25027 | 24 | CD | 47.209 | 1 |
25040 | 200 | CD | 46.823 | 1 |
25043 | 199 | CD | 46.860 | 1 |
25132 | 29 | CD | 42.091 | 1 |
25157 | 101 | CD | 46.7 | 1 |
25176 | 43 | CD | 43.01 | |
25176 | 85 | CD | 45.956 | |
25225 | 10 | CD | 47.020 | 1 |
25225 | 24 | CD | 47.139 | 1 |
25226 | 10 | CD | 47.020 | 1 |
25226 | 24 | CD | 47.139 | 1 |
25226 | 41 | CD | 46.539 | 1 |
25240 | 96 | CD | 26.918 | 1 |
25294 | 20 | CD | 47.054 | |
25342 | 65 | CD | 46.789 | 1 |
25342 | 91 | CD | 45.776 | 1 |
25379 | 123 | CD | 45.429 | 1 |
25379 | 16 | CD | 45.193 | 1 |
25379 | 24 | CD | 45.224 | 1 |
25379 | 35 | CD | 44.901 | 1 |
25379 | 40 | CD | 45.568 | 1 |
25379 | 47 | CD | 45.649 | 1 |
25379 | 81 | CD | 44.313 | 1 |
25567 | 65 | CD | 47.132 | |
25567 | 91 | CD | 46.073 | |
25582 | 4 | CD | 45.953 | 1 |
25598 | 17 | CD | 47.052 | |
25598 | 18 | CD | 45.701 | |
25679 | 33 | CD | 1.155 | |
25745 | 80 | CD | 46.922 | 1 |
25761 | 74 | CD | 46.563 | |
25783 | 2 | CD | 46.505 | 1 |
25828 | 88 | CD | 45.200 | 1 |
25830 | 26 | CD | 47.131 | 1 |
25830 | 45 | CD | 47.071 | 1 |
25830 | 73 | CD | 46.717 | 1 |
25833 | 88 | CD | 45.200 | 1 |
25905 | 41 | CD | 41.128 | |
25970 | 97 | CD | 47.019 | |
26022 | 22 | CD | 42.176 | |
26765 | 7 | CD | 46.811 | 1 |
26775 | 30 | CD | 45.132 | 1 |
27078 | 149 | CD | 46.6 | 1 |
27284 | 83 | CD | 43.184 | |
27856 | 52 | CD | 44.000 | 1 |
27856 | 81 | CD | 42.700 | 1 |
27877 | 8 | CD | 46.897 | 1 |
28131 | 25 | CD | 36.92 | 1 |
28132 | 63 | CD | 46.769 | |
30133 | 119 | CD | 36.265 | 9 |
30304 | 36 | CD | 47.2 | 1 |
30375 | 237 | CD | 46.442 | |
30375 | 54 | CD | 46.104 | |
30476 | 1 | CD | 46.669 | 1 |
30476 | 3 | CD | 47.025 | 1 |
30515 | 101 | CD | 42.649 | 1 |
30537 | 67 | CD | 46.9 | 1 |
30537 | 91 | CD | 46.8 | 1 |
30705 | 3 | CD | 46.845 | 1 |
30705 | 51 | CD | 47.213 | 1 |
30705 | 64 | CD | 47.131 | 1 |
30961 | 28 | CD | 46.995 | 1 |
30997 | 8 | CD | 47.0 | |
31001 | 8 | CD | 46.9 | |
31019 | 8 | CD | 46.9 | 1 |
31075 | 104 | CD | 45.635 | |
31075 | 115 | CD | 47.086 | |
34039 | 9 | CD | 46.8160 | 1 |
34260 | 91 | CD | 46.349 | |
34329 | 2 | CD | 46.626 | 1 |
34466 | 147 | CD | 46.908 | |
34478 | 9 | CD | 47.0 | 1 |
34519 | 19 | CD | 45.0 | 1 |
34519 | 40 | CD | 45.4 | 1 |
34519 | 49 | CD | 47.1 | 1 |
34547 | 10 | CD | 47.020 | 1 |
34547 | 24 | CD | 47.139 | 1 |
34548 | 10 | CD | 47.020 | 1 |
34548 | 24 | CD | 47.139 | 1 |
34548 | 41 | CD | 46.539 | 1 |
34607 | 43 | CD | 47.081 | 1 |
36011 | 30 | CD | 45.132 | 1 |
36017 | 11 | CD | 46.1 | 1 |
36017 | 17 | CD | 46.9 | 1 |
36017 | 3 | CD | 46.8 | 1 |
36083 | 16 | CD | 46.8 | 1 |
36083 | 2 | CD | 46.4 | 1 |
36083 | 3 | CD | 46.8 | 1 |
36142 | 48 | CD | 47.126 | |
36167 | 19 | CD | 47.1 | 1 |
36343 | 2 | CD | 41.1 | 1 |
36343 | 7 | CD | 47.1 | 1 |
36368 | 69 | CD | 47.097 | 1 |
50022 | 27 | CD | 27.139 | |
50153 | 22 | CD | 47.001 | 1 |
50412 | 25 | CD | 47.1683 | 1 |
50412 | 90 | CD | 47.1683 | 1 |
51495 | 112 | CD | 42.439 | 1 |
51547 | 7 | CD | 47.14 | 1 |
51548 | 7 | CD | 47.14 | 1 |
51621 | 2 | CD | 47.209 | 1 |
51622 | 2 | CD | 47.193 | 1 |
51623 | 2 | CD | 47.211 | 1 |
51979 | 50 | CD | 45.202 | |
52087 | 37 | CD | 46.925 | 1 |