Average chemical shift: 8.336
Standard deviation: 0.731
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
2024 | 25 | H | 10.7 | 1 |
4046 | 103 | H | 11.10 | 1 |
4098 | 3 | H | 11.46 | 1 |
4158 | 71 | H | 10.96 | 1 |
4349 | 105 | H | 10.55 | 1 |
4436 | 12 | H | 10.91 | 1 |
4983 | 82 | H | 11.09 | 1 |
5232 | 15 | H | 11.35 | 1 |
5275 | 77 | H | 10.586 | 1 |
5314 | 17 | H | 10.59 | 1 |
5816 | 122 | H | 10.76 | 1 |
6120 | 114 | H | 10.69 | 1 |
6125 | 218 | H | 10.54 | 1 |
6295 | 88 | H | 12.026 | 1 |
6344 | 48 | H | 10.8 | 1 |
6383 | 23 | H | 10.54 | 1 |
6444 | 81 | H | 11.914 | |
6596 | 12 | H | 10.931 | 1 |
6686 | 66 | H | 10.65 | |
6934 | 124 | H | 10.552 | 1 |
7053 | 41 | H | 10.74 | 1 |
7089 | 86 | H | 11.780 | 1 |
7359 | 28 | H | 11.190 | 1 |
7360 | 28 | H | 11.191 | 1 |
7416 | 12 | H | 10.536 | 1 |
7416 | 16 | H | 10.795 | 1 |
11067 | 12 | H | 12.1759 | 1 |
15070 | 160 | H | 11.14 | 1 |
15071 | 160 | H | 11.22 | 1 |
15121 | 31 | H | 10.742 | 1 |
15156 | 52 | H | 10.655 | |
15163 | 20 | H | 11.473 | 1 |
15429 | 3 | H | 11.436 | 1 |
15433 | 3 | H | 11.284 | 1 |
15434 | 3 | H | 11.284 | 1 |
15488 | 263 | H | 11.30 | 1 |
15578 | 81 | H | 11.910 | 1 |
15594 | 50 | H | 10.73 | 1 |
16306 | 49 | H | 10.57 | 1 |
16317 | 121 | H | 10.612 | 1 |
16447 | 189 | H | 11.070 | 1 |
16451 | 189 | H | 11.030 | 1 |
16464 | 189 | H | 10.940 | 1 |
16689 | 28 | H | 11.077 | 1 |
16731 | 16 | H | 10.640 | 1 |
17384 | 262 | H | 10.9579 | 1 |
17608 | 9 | H | 10.636 | 1 |
17688 | 24 | H | 10.585 | 1 |
18245 | 137 | H | 10.535 | 1 |
18392 | 283 | H | 11.49 | 1 |
18396 | 28 | H | 11.457 | 1 |
18397 | 52 | H | 10.846 | 1 |
18432 | 106 | H | 10.896 | |
18433 | 9 | H | 10.847 | |
18574 | 41 | H | 10.541 | 1 |
18575 | 41 | H | 10.555 | 1 |
18758 | 42 | H | 10.751 | 1 |
18798 | 166 | H | 10.921 | 1 |
18799 | 166 | H | 10.843 | 1 |
18800 | 166 | H | 10.870 | 1 |
19113 | 23 | H | 10.546 | 1 |
19113 | 23 | H | 10.557 | 1 |
19116 | 23 | H | 10.555 | 1 |
19118 | 23 | H | 10.555 | 1 |
19119 | 23 | H | 10.557 | 1 |
19120 | 23 | H | 10.552 | 1 |
19121 | 23 | H | 10.544 | 1 |
19122 | 23 | H | 10.557 | 1 |
19123 | 23 | H | 10.556 | 1 |
19154 | 2 | H | 11.0100 | 1 |
19169 | 103 | H | 11.633 | 1 |
19413 | 30 | H | 11.199 | 1 |
19731 | 108 | H | 11.610 | 1 |
19838 | 28 | H | 11.217 | 1 |
19839 | 28 | H | 11.228 | 1 |
25117 | 28 | H | 11.299 | 1 |
25859 | 86 | H | 11.780 | 1 |
25905 | 31 | H | 10.538 | |
26716 | 52 | H | 10.571 | 1 |
26756 | 247 | H | 11.957 | |
26757 | 247 | H | 11.868 | |
26759 | 69 | H | 10.586 | 1 |
26767 | 86 | H | 10.80135 | |
26768 | 89 | H | 10.58 | 1 |
26875 | 110 | H | 11.603 | 1 |
26876 | 110 | H | 11.631 | 1 |
26877 | 110 | H | 11.598 | 1 |
26878 | 110 | H | 11.605 | 1 |
26923 | 139 | H | 11.059 | |
26972 | 92 | H | 10.631 | 1 |
27032 | 60 | H | 10.5320 | 1 |
27091 | 140 | H | 11.023 | |
27240 | 38 | H | 11.754 | |
27373 | 262 | H | 10.571 | 1 |
27562 | 52 | H | 10.648 | |
27645 | 18 | H | 11.398 | 1 |
27776 | 81 | H | 10.59 | 1 |
28056 | 110 | H | 10.586 | 1 |
28057 | 110 | H | 10.645 | 1 |
28079 | 283 | H | 11.534 | 1 |
30088 | 52 | H | 10.846 | 1 |
30210 | 54 | H | 11.177 | |
30655 | 120 | H | 10.584 | 1 |
30656 | 120 | H | 10.584 | 1 |
30704 | 26 | H | 10.676 | 1 |
30770 | 258 | H | 11.410 | |
34361 | 44 | H | 11.057 | 1 |
36163 | 27 | H | 11.5500 | 1 |
50250 | 74 | H | 10.548 | |
50458 | 243 | H | 10.632 | 1 |
50801 | 33 | H | 11.386 | |
50802 | 33 | H | 11.471 | |
51050 | 285 | H | 11.529 | |
51166 | 19 | H | 10.880 | 1 |
51347 | 112 | H | 11.577 | |
51413 | 36 | H | 11.6 | 1 |
51416 | 36 | H | 11.4893 | 1 |
51418 | 36 | H | 11.434 | 1 |
51423 | 64 | H | 11.594 | 1 |
51424 | 64 | H | 11.943 | 1 |
51506 | 4 | H | 11.762 | 1 |
52041 | 101 | H | 12.357 | 1 |
52273 | 425 | H | 11.426 | 1 |
52293 | 425 | H | 11.465 | 1 |
52296 | 425 | H | 11.452 | 1 |
52297 | 425 | H | 11.230 | 1 |
52298 | 425 | H | 11.448 | 1 |
52300 | 425 | H | 11.221 | 1 |
52301 | 425 | H | 11.441 | 1 |
52302 | 425 | H | 11.200 | 1 |
52306 | 425 | H | 11.231 | 1 |
52307 | 425 | H | 11.473 | 1 |
52310 | 425 | H | 11.318 | 1 |
52339 | 425 | H | 11.253 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
79 | 35 | H | 5.73 | 1 |
260 | 35 | H | 5.72 | 1 |
280 | 17 | H | 5.86 | 1 |
1720 | 87 | H | 5.95 | 1 |
2198 | 35 | H | 5.73 | 1 |
4019 | 35 | H | 5.72 | 1 |
4091 | 38 | H | 5.82 | 1 |
4279 | 43 | H | 5.77 | 1 |
4345 | 84 | H | 5.98 | 1 |
4353 | 37 | H | 6.13 | 1 |
4466 | 56 | H | 6.134 | 1 |
4471 | 80 | H | 6.14 | 1 |
4553 | 45 | H | 5.48 | 1 |
4871 | 100 | H | 5.95 | 1 |
4897 | 131 | H | 5.78 | 1 |
4909 | 85 | H | 5.87 | 1 |
5165 | 80 | H | 5.211 | 1 |
5618 | 269 | H | 5.75 | 1 |
5625 | 76 | H | 6.12 | 1 |
5628 | 109 | H | 4.81 | 1 |
5628 | 53 | H | 5.40 | 1 |
5864 | 5 | H | -0.35 | |
5864 | 6 | H | -0.5 | |
5897 | 83 | H | 4.0610 | 1 |
5983 | 54 | H | 5.56 | 1 |
6034 | 95 | H | 5.89 | 1 |
6114 | 68 | H | 5.98 | 1 |
6249 | 74 | H | 5.300 | 1 |
6249 | 85 | H | 5.750 | 1 |
6255 | 65 | H | 5.812 | 1 |
6404 | 123 | H | 6.13 | 1 |
6416 | 141 | H | 5.74 | |
6542 | 188 | H | 5.670 | 1 |
6572 | 76 | H | 5.6 | 1 |
6712 | 11 | H | 5.812 | 1 |
6793 | 135 | H | 5.33 | 1 |
6833 | 63 | H | 5.574 | |
6929 | 59 | H | 5.949 | 1 |
7016 | 14 | H | 0.02 | |
7016 | 17 | H | 0.02 | |
7070 | 88 | H | 6.030 | 1 |
7234 | 2 | H | 5.266 | 1 |
7235 | 2 | H | 5.217 | 1 |
7261 | 55 | H | 6.116 | 1 |
7390 | 87 | H | 5.823 | 1 |
7414 | 97 | H | 5.875 | 1 |
10078 | 92 | H | 5.870 | 1 |
11120 | 114 | H | 5.859 | 1 |
11129 | 89 | H | 6.110 | 1 |
11516 | 80 | H | 3.549 | 1 |
12014 | 77 | H | 6.1236 | 1 |
15170 | 79 | H | 5.961 | 1 |
15248 | 180 | H | 6.017 | 1 |
15250 | 180 | H | 6.035 | 1 |
15467 | 2 | H | 5.292 | 1 |
15578 | 269 | H | 5.839 | 1 |
15597 | 93 | H | 6.016 | 1 |
15598 | 93 | H | 6.052 | 1 |
15706 | 189 | H | 6.080 | 1 |
15723 | 23 | H | 5.484 | 1 |
15788 | 201 | H | 5.61 | 1 |
15797 | 88 | H | 5.529 | 1 |
15798 | 88 | H | 5.565 | 1 |
15829 | 70 | H | 5.549 | 1 |
16009 | 135 | H | 6.037 | 1 |
16230 | 11 | H | 6.015 | 1 |
16243 | 11 | H | 6.036 | 1 |
16244 | 11 | H | 5.965 | 1 |
16246 | 11 | H | 6.037 | 1 |
16272 | 55 | H | 5.303 | 1 |
16283 | 55 | H | 5.305 | 1 |
16347 | 123 | H | 6.12 | 1 |
16409 | 2 | H | 5.258 | 1 |
16518 | 92 | H | 5.823 | 1 |
16545 | 47 | H | 5.613 | 1 |
16677 | 65 | H | 6.127 | 1 |
16863 | 45 | H | 5.754 | 1 |
17162 | 55 | H | 5.672 | 1 |
17162 | 64 | H | 6.142 | 1 |
17163 | 55 | H | 5.711 | 1 |
17208 | 91 | H | 5.99 | 1 |
17209 | 91 | H | 5.956 | 1 |
17210 | 91 | H | 5.957 | 1 |
17277 | 88 | H | 5.773 | 1 |
17415 | 86 | H | 5.90 | 1 |
17415 | 97 | H | 5.57 | 1 |
17602 | 339 | H | 6.077 | 1 |
17602 | 339 | H | 6.131 | 1 |
17608 | 32 | H | 5.882 | 1 |
17652 | 339 | H | 6.13 | 1 |
17851 | 2 | H | 5.281 | 1 |
17852 | 2 | H | 5.335 | 1 |
17882 | 44 | H | 6.125 | 1 |
17922 | 143 | H | 5.78 | 1 |
18132 | 69 | H | 0.009 | 1 |
18132 | 70 | H | 0.009 | 1 |
18604 | 53 | H | 5.997 | 1 |
18734 | 70 | H | 5.865 | 1 |
18941 | 42 | H | 5.465 | 1 |
18982 | 12 | H | 5.512 | 1 |
19182 | 128 | H | 5.906 | 1 |
19247 | 37 | H | 5.720 | 1 |
19329 | 46 | H | 6.05 | 1 |
19417 | 65 | H | 5.879 | 1 |
19419 | 98 | H | 6.0740 | 1 |
19459 | 16 | H | 5.5875 | |
19711 | 146 | H | 6.113 | 1 |
19855 | 20 | H | 5.536 | 1 |
19855 | 58 | H | 5.262 | 1 |
19928 | 137 | H | 5.938 | 1 |
25048 | 8 | H | 5.83 | 1 |
25712 | 51 | H | 5.898 | 1 |
25834 | 94 | H | 6.117 | 1 |
26010 | 52 | H | 5.717 | |
26048 | 112 | H | 5.902 | 1 |
26059 | 108 | H | 6.0600 | 1 |
26060 | 108 | H | 6.0600 | 1 |
26804 | 377 | H | 5.855 | |
26815 | 68 | H | 5.790 | 1 |
26815 | 92 | H | 6.017 | 1 |
26909 | 130 | H | 5.753 | 1 |
26950 | 213 | H | 6.130 | 1 |
26951 | 223 | H | 5.687 | 1 |
26979 | 137 | H | 6.112 | 1 |
26980 | 137 | H | 6.108 | 1 |
26981 | 137 | H | 6.115 | 1 |
26984 | 137 | H | 6.099 | 1 |
27043 | 240 | H | 6.065 | 1 |
27083 | 182 | H | 6.104 | |
27174 | 2 | H | 5.258 | 1 |
27175 | 2 | H | 5.258 | 1 |
27287 | 118 | H | 5.9110 | 1 |
27392 | 91 | H | 6.020 | 1 |
27697 | 2 | H | 5.300 | 1 |
27721 | 80 | H | 5.81647 | 1 |
27722 | 80 | H | 5.81187 | 1 |
27776 | 62 | H | 6.099 | 1 |
27870 | 41 | H | 5.462 | 1 |
27879 | 461 | H | 5.962 | 1 |
27920 | 2 | H | 5.272 | 1 |
27959 | 95 | H | 6.004 | 1 |
27985 | 17 | H | 5.860 | 1 |
28095 | 2 | H | 5.292 | 1 |
28096 | 2 | H | 5.292 | 1 |
28097 | 2 | H | 5.288 | 1 |
30010 | 11 | H | 5.935 | |
30316 | 17 | H | 5.659 | 1 |
30353 | 159 | H | 5.804 | 1 |
30353 | 159 | H | 5.811 | 1 |
30727 | 44 | H | 6.040 | |
30926 | 103 | H | 6.042 | 1 |
34093 | 51 | H | 5.83 | 1 |
34093 | 51 | H | 5.84 | 1 |
34105 | 51 | H | 5.85 | 1 |
34105 | 51 | H | 5.87 | 1 |
34227 | 26 | H | 5.917 | 1 |
34229 | 26 | H | 5.917 | 1 |
50212 | 67 | H | 6.102 | 1 |
50283 | 80 | H | 5.751178 | |
50284 | 80 | H | 5.744863 | |
50285 | 80 | H | 5.759206 | |
50331 | 17 | H | 5.581 | 1 |
50334 | 27 | H | 5.560 | 1 |
50471 | 146 | H | 5.863 | |
50507 | 24 | H | 6.079 | 1 |
50696 | 45 | H | 5.414735782 | 1 |
50696 | 45 | H | 5.42299359 | 1 |
50945 | 205 | H | 6.093 | 1 |
51094 | 111 | H | 5.811 | 1 |
51382 | 131 | H | 5.980 | |
51393 | 15 | H | 6.118 | 1 |
51455 | 219 | H | 5.078 | 1 |
51455 | 219 | H | 5.885 | 1 |
51456 | 219 | H | 5.167 | 1 |
51489 | 69 | H | 5.944 | |
51690 | 381 | H | 5.905 | 1 |
51690 | 464 | H | 6.020 | 1 |
51696 | 111 | H | 5.682 | 1 |
51716 | 20 | H | 5.74 | 1 |
51716 | 41 | H | 5.55292 | 1 |
51912 | 224 | H | 5.691 | 1 |
51913 | 224 | H | 5.700 | 1 |