Average chemical shift: 8.217
Standard deviation: 0.724
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
434 | 60 | H | 10.53 | 1 |
435 | 59 | H | 10.53 | 1 |
447 | 66 | H | 10.48 | 1 |
4022 | 147 | H | 10.4 | 1 |
4064 | 135 | H | 12.26 | 1 |
4173 | 136 | H | 11.58 | 1 |
4202 | 126 | H | 10.53 | 1 |
4300 | 96 | H | 10.41 | 1 |
4304 | 22 | H | 11.240 | 1 |
4309 | 84 | H | 11.10 | 1 |
4318 | 77 | H | 11.75 | 1 |
4364 | 129 | H | 11.66 | 1 |
4565 | 137 | H | 11.45 | 1 |
4565 | 82 | H | 10.56 | 1 |
4668 | 135 | H | 11.594 | 1 |
4679 | 136 | H | 12.1700 | |
4706 | 148 | H | 10.582 | 1 |
4712 | 6 | H | 10.42 | 1 |
4811 | 53 | H | 10.44 | 1 |
4881 | 65 | H | 11.15 | 1 |
5012 | 30 | H | 12.13 | 1 |
5022 | 77 | H | 11.110 | |
5031 | 98 | H | 10.46 | 1 |
5090 | 143 | H | 10.484 | 1 |
5231 | 136 | H | 11.47 | 1 |
5232 | 104 | H | 10.53 | 1 |
5263 | 42 | H | 11.570 | |
5345 | 6 | H | 10.716 | 1 |
5522 | 141 | H | 10.88 | 1 |
5606 | 82 | H | 10.4 | 1 |
5631 | 23 | H | 11.22 | 1 |
5689 | 68 | H | 10.565 | 1 |
5884 | 9 | H | 11.088 | 1 |
6011 | 78 | H | 11.23 | 1 |
6038 | 10 | H | 10.5 | |
6038 | 10 | H | 10.54 | |
6199 | 160 | H | 10.47 | 1 |
6295 | 79 | H | 10.881 | 1 |
6312 | 133 | H | 10.822 | 1 |
6313 | 68 | H | 10.72 | 1 |
6418 | 106 | H | 12.292 | 1 |
6502 | 46 | H | 10.440 | 1 |
6540 | 55 | H | 11.7400 | 1 |
6542 | 131 | H | 13.220 | 1 |
6542 | 290 | H | 10.670 | 1 |
6542 | 50 | H | 10.410 | 1 |
6549 | 195 | H | 11.54 | |
6549 | 262 | H | 10.73 | |
6551 | 42 | H | 10.500 | |
6603 | 102 | H | 10.498 | 1 |
6611 | 34 | H | 11.1 | 1 |
6644 | 9 | H | 11.01 | 1 |
6685 | 185 | H | 10.880 | 1 |
6748 | 28 | H | 10.4930 | |
6821 | 126 | H | 10.482 | |
6847 | 102 | H | 10.498 | 1 |
6853 | 215 | H | 10.667 | 1 |
6875 | 13 | H | 10.42 | 1 |
7022 | 139 | H | 11.118 | 1 |
7055 | 106 | H | 11.131 | 1 |
7192 | 44 | H | 10.93 | 1 |
7264 | 166 | H | 10.413 | 1 |
7418 | 32 | H | 12.529 | 1 |
7418 | 48 | H | 10.421 | 1 |
7423 | 32 | H | 10.708 | 1 |
7425 | 32 | H | 12.573 | 1 |
10082 | 78 | H | 10.744 | 1 |
10108 | 34 | H | 10.862 | 1 |
11175 | 151 | H | 10.842 | 1 |
11311 | 138 | H | 10.893 | 1 |
11590 | 113 | H | 10.538 | 1 |
12024 | 103 | H | 11.0600 | 1 |
15063 | 47 | H | 12.003 | 1 |
15088 | 90 | H | 10.670 | 1 |
15120 | 131 | H | 11.4 | |
15209 | 12 | H | 11.68 | 1 |
15334 | 34 | H | 11.385 | 1 |
15395 | 131 | H | 11.512 | |
15396 | 131 | H | 11.51 | |
15518 | 203 | H | 11.53 | 1 |
15518 | 270 | H | 11.27 | 1 |
15594 | 28 | H | 10.81 | 1 |
15595 | 44 | H | 10.397 | 1 |
15597 | 109 | H | 11.166 | 1 |
15598 | 109 | H | 11.394 | 1 |
15606 | 4 | H | 11.327 | 1 |
15632 | 88 | H | 10.92 | 1 |
15717 | 77 | H | 11.568 | |
15927 | 3 | H | 11.070 | 1 |
16311 | 64 | H | 10.919 | 1 |
16337 | 136 | H | 10.40 | 1 |
16362 | 2 | H | 11.190 | 1 |
16376 | 61 | H | 12.56 | 1 |
16379 | 64 | H | 10.42 | 1 |
16441 | 42 | H | 11.189 | 1 |
16443 | 36 | H | 11.830 | 1 |
16493 | 6 | H | 10.42 | 1 |
16494 | 6 | H | 10.42 | 1 |
16502 | 6 | H | 10.39 | 1 |
16507 | 23 | H | 11.192 | 1 |
16518 | 110 | H | 11.465 | 1 |
16629 | 130 | H | 11.534 | 1 |
16630 | 2 | H | 11.219 | 1 |
16805 | 55 | H | 10.625 | 1 |
16905 | 9 | H | 11.109 | 1 |
17255 | 29 | H | 10.951 | 1 |
17320 | 25 | H | 11.500 | 1 |
17421 | 123 | H | 10.702 | 1 |
17421 | 20 | H | 10.437 | 1 |
17507 | 128 | H | 11.33 | 1 |
17515 | 16 | H | 10.7640 | 1 |
17546 | 55 | H | 11.568 | |
17811 | 106 | H | 11.263 | 1 |
17890 | 38 | H | 10.455 | 1 |
17902 | 38 | H | 10.448 | 1 |
17942 | 12 | H | 11.668 | 1 |
17975 | 200 | H | 11.5426 | 1 |
17975 | 267 | H | 10.9149 | 1 |
17976 | 200 | H | 11.5423 | 1 |
17977 | 200 | H | 11.5543 | 1 |
18032 | 55 | H | 10.70 | 1 |
18169 | 5 | H | 10.744 | 1 |
18169 | 5 | H | 10.862 | 1 |
18236 | 48 | H | 10.976 | 1 |
18263 | 55 | H | 10.56 | 1 |
18312 | 34 | H | 10.67 | 1 |
18466 | 133 | H | 10.917 | 1 |
18467 | 133 | H | 10.937 | 1 |
18509 | 126 | H | 10.483 | 1 |
18587 | 27 | H | 10.457 | 1 |
18708 | 126 | H | 10.483 | 1 |
18779 | 205 | H | 10.502 | 1 |
18904 | 129 | H | 11.208 | |
19028 | 66 | H | 10.636 | 1 |
19150 | 85 | H | 11.165 | 1 |
19208 | 131 | H | 13.063 | 1 |
19208 | 50 | H | 10.390 | 1 |
19286 | 9 | H | 11.10 | 1 |
19333 | 3 | H | 10.49 | 1 |
19490 | 185 | H | 10.481 | 1 |
19622 | 63 | H | 10.705 | |
19720 | 85 | H | 11.32 | |
19945 | 85 | H | 11.134 | |
19992 | 141 | H | 11.375 | 1 |
25136 | 8 | H | 10.632 | 1 |
25208 | 8 | H | 10.77 | 1 |
25208 | 8 | H | 10.776 | 1 |
25232 | 49 | H | 10.469 | |
25356 | 67 | H | 11.150 | 1 |
25557 | 101 | H | 10.60 | 1 |
25761 | 104 | H | 10.737 | |
25870 | 65 | H | 10.591 | 1 |
26053 | 93 | H | 10.614 | 1 |
26741 | 40 | H | 10.602 | |
26745 | 102 | H | 10.640 | 1 |
26780 | 68 | H | 10.553 | 1 |
26946 | 8 | H | 10.711 | 1 |
26956 | 8 | H | 10.694 | |
26989 | 67 | H | 10.723 | |
27080 | 100 | H | 10.488 | 1 |
27080 | 14 | H | 10.922 | 1 |
27133 | 182 | H | 10.556 | 1 |
27133 | 182 | H | 10.562 | 1 |
27572 | 6 | H | 10.85 | 1 |
27729 | 111 | H | 10.596 | |
27943 | 128 | H | 11.268 | 1 |
27947 | 128 | H | 10.928 | 1 |
27948 | 79 | H | 11.0783 | |
28041 | 6 | H | 10.42 | 1 |
28061 | 93 | H | 11.546 | 1 |
30118 | 49 | H | 11.4088 | 1 |
30375 | 100 | H | 10.595 | |
30605 | 64 | H | 11.020 | 1 |
30606 | 64 | H | 11.020 | 1 |
50000 | 201 | H | 11.5538 | 1 |
50433 | 55 | H | 119.596 | |
50471 | 171 | H | 10.551 | |
50524 | 93 | H | 11.546 | |
50955 | 110 | H | 10.709 | |
51166 | 371 | H | 10.780 | 1 |
51166 | 372 | H | 10.800 | 1 |
51166 | 4 | H | 11.150 | 1 |
51269 | 45 | H | 10.77 | |
51270 | 45 | H | 10.79 | |
51271 | 45 | H | 10.5 | |
51272 | 45 | H | 10.73 | |
51273 | 45 | H | 10.68 | |
51274 | 45 | H | 10.78 | |
51275 | 45 | H | 10.72 | |
51276 | 45 | H | 10.7 | |
51277 | 45 | H | 10.76 | |
51278 | 45 | H | 10.63 | |
51279 | 45 | H | 10.71 | |
51280 | 45 | H | 10.45 | |
51704 | 62 | H | 12.023 | |
51705 | 62 | H | 12.083 | |
51706 | 62 | H | 12.078 | |
51832 | 123 | H | 11.004 | 1 |
51832 | 38 | H | 10.572 | 1 |
51859 | 60 | H | 10.52 | |
51919 | 60 | H | 10.53 | |
51938 | 60 | H | 10.66 | |
51950 | 60 | H | 10.44 | |
51950 | 60 | H | 10.474 | |
52210 | 16 | H | 11.07099507 | 1 |
52588 | 246 | H | 10.640 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
294 | 44 | H | 5.96 | 1 |
295 | 44 | H | 5.98 | 1 |
1162 | 19 | H | 2.15 | 1 |
1208 | 44 | H | 5.97 | 1 |
1324 | 44 | H | 5.94 | 1 |
4114 | 87 | H | 4.300 | 1 |
4127 | 124 | H | 5.59 | 1 |
4130 | 46 | H | 6.01 | |
4132 | 89 | H | 5.56 | 1 |
4296 | 45 | H | 5.85 | 1 |
4309 | 76 | H | 5.99 | 1 |
4580 | 38 | H | 5.94 | 1 |
4703 | 15 | H | 4.89 | 1 |
4718 | 12 | H | 6.04 | 1 |
4775 | 68 | H | 5.39 | 1 |
4803 | 44 | H | 6.03 | 1 |
4804 | 44 | H | 6.03 | 1 |
4808 | 44 | H | 6.03 | 1 |
4809 | 44 | H | 6.03 | 1 |
4852 | 23 | H | 5.38 | 1 |
4854 | 153 | H | 0.09 | |
4895 | 40 | H | 5.9 | |
4914 | 20 | H | 5.41 | 1 |
5042 | 19 | H | 5.33 | 1 |
5073 | 20 | H | 5.206 | |
5081 | 76 | H | 3.335 | 1 |
5091 | 46 | H | 6.010 | 1 |
5220 | 7 | H | 3.985 | 1 |
5232 | 62 | H | 4.97 | 1 |
5355 | 42 | H | 5.969 | 1 |
5537 | 52 | H | 5.78 | 1 |
5658 | 149 | H | 5.99 | 1 |
5864 | 9 | H | -0.3 | |
5897 | 81 | H | 3.8807 | 1 |
6057 | 112 | H | 6.00 | 1 |
6249 | 103 | H | 5.800 | 1 |
6249 | 162 | H | 5.930 | 1 |
6249 | 165 | H | 5.080 | 1 |
6249 | 167 | H | 5.870 | 1 |
6249 | 179 | H | 5.530 | 1 |
6249 | 189 | H | 5.660 | 1 |
6249 | 190 | H | 5.970 | 1 |
6249 | 207 | H | 4.380 | 1 |
6249 | 212 | H | 3.010 | 1 |
6249 | 221 | H | 5.460 | 1 |
6249 | 255 | H | 4.440 | 1 |
6249 | 258 | H | 4.720 | 1 |
6249 | 272 | H | 4.690 | 1 |
6249 | 273 | H | 3.730 | 1 |
6249 | 88 | H | 4.250 | 1 |
6249 | 94 | H | 5.540 | 1 |
6535 | 124 | H | 5.775 | 1 |
6564 | 81 | H | 5.72 | 1 |
6710 | 47 | H | 6.04 | 1 |
6726 | 83 | H | 5.747 | 1 |
6832 | 152 | H | 5.23 | 1 |
6840 | 12 | H | 5.97 | 1 |
6935 | 152 | H | 5.37 | 1 |
6966 | 118 | H | 4.35 | 1 |
6967 | 118 | H | 4.69 | 1 |
7016 | 30 | H | 0.02 | |
7016 | 37 | H | 0.02 | |
7016 | 41 | H | 0.02 | |
7024 | 20 | H | 5.049 | |
7186 | 4 | H | 6.01 | 1 |
7224 | 36 | H | 5.47 | 1 |
7416 | 39 | H | 5.857 | 1 |
7417 | 18 | H | 5.997 | 1 |
7424 | 39 | H | 5.899 | 1 |
10031 | 62 | H | 5.110 | 1 |
10094 | 27 | H | 4.254 | 1 |
10141 | 101 | H | 5.223 | 1 |
11036 | 30 | H | 4.525 | 1 |
11053 | 141 | H | 5.906 | 1 |
11061 | 116 | H | 5.107 | 1 |
11296 | 13 | H | 5.467 | 1 |
11303 | 13 | H | 5.455 | 1 |
11308 | 19 | H | 6.044 | 1 |
15072 | 81 | H | 5.72 | 1 |
15110 | 18 | H | 4.991 | 1 |
15412 | 71 | H | 6.005 | 1 |
15596 | 15 | H | 5.485 | 1 |
15622 | 30 | H | 5.227 | 1 |
15902 | 60 | H | 5.32 | 1 |
16035 | 261 | H | 5.983 | 1 |
16134 | 106 | H | 3.012 | 1 |
16276 | 104 | H | 6.014 | 1 |
16359 | 70 | H | 5.969 | 1 |
16372 | 82 | H | 5.830 | 1 |
16635 | 77 | H | 4.067 | 1 |
16673 | 53 | H | 6.037 | 1 |
16803 | 19 | H | 5.392 | 1 |
16832 | 146 | H | 6.034 | 1 |
16912 | 77 | H | 4.077 | 1 |
16929 | 41 | H | 5.6450 | 1 |
17236 | 74 | H | 5.61 | 1 |
17251 | 141 | H | 5.863 | 1 |
17415 | 355 | H | 5.63 | 1 |
17415 | 357 | H | 2.74 | 1 |
17521 | 186 | H | 5.929 | 1 |
17729 | 36 | H | 5.622 | 1 |
18001 | 69 | H | 5.74 | 1 |
18132 | 54 | H | 0.010 | 1 |
18132 | 58 | H | 0.006 | 1 |
18679 | 41 | H | 5.598 | 1 |
18680 | 41 | H | 5.975 | 1 |
18774 | 80 | H | 5.732 | 1 |
18775 | 80 | H | 5.760 | 1 |
18800 | 141 | H | 6.044 | 1 |
19080 | 86 | H | 5.776 | 1 |
19208 | 275 | H | 5.894 | 1 |
19232 | 96 | H | 5.775 | 1 |
19305 | 146 | H | 5.842 | 1 |
19306 | 146 | H | 5.842 | 1 |
19335 | 20 | H | 5.583 | |
19560 | 31 | H | 5.47 | 1 |
19740 | 288 | H | 5.739 | |
19740 | 289 | H | 5.929 | |
19763 | 288 | H | 5.650 | 1 |
19763 | 289 | H | 5.794 | 1 |
19855 | 37 | H | 5.242 | 1 |
19915 | 41 | H | 5.887 | |
19916 | 41 | H | 5.742 | |
19976 | 48 | H | 5.998 | 1 |
25003 | 48 | H | 6.0241 | |
25188 | 139 | H | 5.797 | 1 |
25277 | 79 | H | 5.19 | 1 |
25679 | 36 | H | 1.135 | |
25793 | 27 | H | 5.781 | |
25821 | 48 | H | 6.023 | 1 |
26048 | 110 | H | 5.905 | 1 |
26741 | 156 | H | 5.986 | |
26742 | 156 | H | 6.02 | |
26750 | 347 | H | 2.69 | 1 |
26765 | 120 | H | 6.042 | 1 |
26834 | 183 | H | 6.042 | |
26873 | 85 | H | 5.681 | 1 |
26927 | 85 | H | 5.687 | 1 |
26928 | 85 | H | 5.719 | 1 |
26933 | 86 | H | 5.664 | 1 |
26991 | 20 | H | 5.614 | 1 |
26996 | 94 | H | 5.71 | |
27133 | 84 | H | 5.940 | 1 |
27133 | 84 | H | 5.943 | 1 |
27183 | 103 | H | 5.543 | |
27211 | 305 | H | 5.970 | 1 |
27266 | 67 | H | 5.67 | |
27282 | 86 | H | 5.706 | 1 |
27300 | 101 | H | 5.64 | |
27411 | 18 | H | 5.33 | 1 |
27462 | 33 | H | 5.884 | |
27463 | 33 | H | 5.900 | |
27518 | 3 | H | 6 | 1 |
27762 | 362 | H | 5.557 | 1 |
27858 | 31 | H | 5.79 | 1 |
27859 | 204 | H | 5.8 | |
27959 | 104 | H | 5.940 | 1 |
27975 | 47 | H | 5.9393 | |
27976 | 47 | H | 5.9393 | |
28080 | 103 | H | 5.397 | 1 |
30042 | 63 | H | 5.692 | 1 |
30133 | 159 | H | 1.710 | 9 |
30725 | 55 | H | 5.641 | 1 |
30955 | 26 | H | 5.892 | |
31001 | 7 | H | 5.82 | |
31003 | 4 | H | 5.00 | |
31019 | 7 | H | 5.82 | 1 |
31023 | 8 | H | 5.00 | 1 |
34005 | 62 | H | 5.882 | 1 |
34140 | 113 | H | 5.721 | 1 |
34232 | 19 | H | 5.304 | 1 |
34247 | 50 | H | 5.119 | 1 |
34308 | 203 | H | 6.009 | 1 |
34336 | 40 | H | 5.610 | |
34341 | 36 | H | 6.006 | 1 |
34347 | 203 | H | 5.911 | |
34511 | 24 | H | 5.614 | |
50212 | 129 | H | 5.981 | 1 |
50214 | 62 | H | 6.003 | 1 |
50371 | 180 | H | 6.026 | |
50771 | 22 | H | 5.524 | 1 |
50772 | 22 | H | 5.540 | 1 |
50809 | 163 | H | 5.899 | 1 |
50835 | 64 | H | 5.702 | |
50920 | 209 | H | 6.00 | 1 |
51054 | 94 | H | 5.229 | 1 |
51149 | 85 | H | 5.85 | 1 |
51268 | 176 | H | 5.979 | 1 |
51620 | 21 | H | 5.593 | |
51657 | 33 | H | 5.883 | 1 |
51658 | 33 | H | 5.897 | 1 |
51710 | 64 | H | 5.670 | 1 |
51870 | 53 | H | 5.413 | 1 |
52003 | 33 | H | 5.883 | |
52004 | 33 | H | 5.907 | |
52010 | 22 | H | 5.3360 | 1 |
52142 | 165 | H | 6.04 | 1 |
52274 | 45 | H | 5.692 | 1 |
52400 | 305 | H | 5.912 | |
52470 | 22 | H | 5.436 | 1 |
52471 | 22 | H | 5.405 | 1 |
52472 | 22 | H | 5.764 | 1 |
52473 | 22 | H | 5.605 | 1 |
52474 | 22 | H | 5.709 | 1 |
52498 | 203 | H | 6.019 | 1 |
52642 | 33 | H | 5.814 | |
52643 | 33 | H | 5.890 | |
52644 | 33 | H | 5.873 |