Average chemical shift: 7.356
Standard deviation: 0.567
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
289 | 51 | HE | 9.12 | 1 |
395 | 40 | HE | 9.36 | 1 |
979 | 14 | HE | 9.78 | 1 |
1037 | 53 | HE | 9.46 | 1 |
1551 | 83 | HE | 10.29 | 1 |
1895 | 82 | HE | 11.15 | 1 |
2066 | 83 | HE | 9.67 | 1 |
2067 | 83 | HE | 9.73 | 1 |
2069 | 83 | HE | 9.56 | 1 |
2278 | 83 | HE | 10.29 | 1 |
2539 | 10 | HE | 11.82 | 1 |
3032 | 51 | HE | 9.16 | 1 |
4027 | 44 | HE | 9.08 | 1 |
4038 | 89 | HE | 9.27 | 1 |
4117 | 29 | HE | 9.08 | 1 |
4129 | 25 | HE | 9.63 | 1 |
4149 | 83 | HE | 9.89 | 1 |
4154 | 83 | HE | 10.29 | 1 |
4160 | 61 | HE | 10.11 | 1 |
4165 | 61 | HE | 10.08 | 1 |
4313 | 89 | HE | 9.3 | 9 |
4370 | 11 | HE | 9.77 | 1 |
4471 | 36 | HE | 9.09 | 1 |
4509 | 10 | HE | 9.690 | |
4510 | 34 | HE | 9.24 | 1 |
4540 | 40 | HE | 9.46 | 1 |
4577 | 59 | HE | 9.80 | 1 |
4593 | 17 | HE | 9.851 | 1 |
4639 | 52 | HE | 9.453 | 1 |
4688 | 24 | HE | 9.432 | 1 |
4697 | 56 | HE | 9.596 | |
4727 | 55 | HE | 9.08 | 1 |
4757 | 10 | HE | 9.39 | 1 |
4849 | 46 | HE | 9.37 | 1 |
4867 | 127 | HE | 9.32 | 1 |
4867 | 49 | HE | 9.70 | 1 |
4958 | 54 | HE | 9.22 | 1 |
4964 | 83 | HE | 9.66 | 1 |
4973 | 13 | HE | 10.80 | 1 |
4974 | 46 | HE | 9.259 | 1 |
4980 | 11 | HE | 9.68 | 1 |
5012 | 42 | HE | 9.45 | 1 |
5054 | 33 | HE | 9.56 | 1 |
5054 | 59 | HE | 9.72 | 1 |
5083 | 12 | HE | 9.18 | 1 |
5083 | 81 | HE | 9.30 | 1 |
5177 | 81 | HE | 9.93 | 1 |
5227 | 19 | HE | 9.102 | 1 |
5228 | 47 | HE | 9.62 | 1 |
5262 | 33 | HE | 9.41 | 1 |
5264 | 17 | HE | 9.220 | 1 |
5320 | 78 | HE | 9.53 | 1 |
5388 | 6 | HE | 10.560 | 1 |
5390 | 18 | HE | 9.103 | 1 |
5396 | 43 | HE | 9.220 | 1 |
5398 | 152 | HE | 9.503 | 1 |
5398 | 3 | HE | 9.574 | 1 |
5541 | 81 | HE | 9.54 | 1 |
5603 | 74 | HE | 9.996 | 1 |
5618 | 264 | HE | 10.42 | 1 |
5664 | 71 | HE | 9.150 | 1 |
5668 | 152 | HE | 9.503 | 1 |
5668 | 3 | HE | 9.574 | 1 |
5689 | 46 | HE | 9.206 | 1 |
5929 | 28 | HE | 9.18 | 1 |
5972 | 26 | HE | 9.511 | 1 |
5972 | 35 | HE | 9.505 | 1 |
6001 | 23 | HE | 10.73 | 1 |
6084 | 11 | HE | 11.88 | 1 |
6221 | 73 | HE | 9.188 | 1 |
6236 | 27 | HE | 9.640 | 9 |
6262 | 87 | HE | 9.210 | 1 |
6264 | 7 | HE | 9.619 | 1 |
6313 | 46 | HE | 9.45 | 1 |
6343 | 104 | HE | 9.33 | 1 |
6353 | 78 | HE | 9.30 | 1 |
6385 | 54 | HE | 9.610 | 1 |
6392 | 40 | HE | 9.33 | 1 |
6392 | 81 | HE | 9.92 | 1 |
6393 | 40 | HE | 9.47 | 1 |
6393 | 81 | HE | 9.90 | 1 |
6434 | 46 | HE | 9.230 | 1 |
6455 | 10 | HE | 9.724 | 1 |
6552 | 34 | HE | 9.4400 | |
6553 | 34 | HE | 9.5800 | |
6573 | 66 | HE | 9.091 | |
6739 | 79 | HE | 9.250 | 1 |
6888 | 80 | HE | 9.068 | 1 |
6936 | 88 | HE | 9.617 | 1 |
6957 | 14 | HE | 9.927 | 1 |
6966 | 114 | HE | 9.13 | 1 |
6966 | 127 | HE | 10.33 | 1 |
6967 | 114 | HE | 9.14 | 1 |
6967 | 127 | HE | 9.94 | 1 |
7007 | 38 | HE | 9.417 | 1 |
7093 | 9 | HE | 9.423 | 1 |
7201 | 90 | HE | 9.31 | 1 |
7203 | 57 | HE | 9.763 | |
7221 | 40 | HE | 9.150 | 1 |
7221 | 40 | HE | 9.271 | 1 |
7221 | 40 | HE | 9.366 | 1 |
7221 | 40 | HE | 9.450 | 1 |
7221 | 40 | HE | 9.483 | 1 |
7221 | 40 | HE | 9.500 | 1 |
7221 | 40 | HE | 9.508 | 1 |
7221 | 40 | HE | 9.515 | 1 |
7221 | 81 | HE | 9.792 | 1 |
7221 | 81 | HE | 9.845 | 1 |
7221 | 81 | HE | 9.883 | 1 |
7221 | 81 | HE | 9.889 | 1 |
7221 | 81 | HE | 9.893 | 1 |
7221 | 81 | HE | 9.894 | 1 |
7221 | 81 | HE | 9.895 | 1 |
7221 | 81 | HE | 9.896 | 1 |
7221 | 81 | HE | 9.902 | 1 |
7221 | 81 | HE | 9.915 | 1 |
7221 | 81 | HE | 9.918 | 1 |
7221 | 81 | HE | 9.920 | 1 |
7221 | 81 | HE | 9.922 | 1 |
7221 | 81 | HE | 9.925 | 1 |
7222 | 40 | HE | 114.462 | 1 |
7222 | 40 | HE | 9.302 | 1 |
7222 | 40 | HE | 9.329 | 1 |
7222 | 40 | HE | 9.355 | 1 |
7222 | 81 | HE | 9.905 | 1 |
7222 | 81 | HE | 9.924 | 1 |
7222 | 81 | HE | 9.926 | 1 |
7222 | 81 | HE | 9.928 | 1 |
7222 | 81 | HE | 9.937 | 1 |
7222 | 84 | HE | 116.608 | 1 |
7222 | 84 | HE | 116.633 | 1 |
7222 | 84 | HE | 116.661 | 1 |
7259 | 24 | HE | 9.858 | 1 |
7260 | 55 | HE | 9.268 | 1 |
7351 | 57 | HE | 9.527 | 1 |
7381 | 10 | HE | 9.857 | 1 |
7381 | 13 | HE | 9.837 | 1 |
10011 | 53 | HE | 9.568 | 1 |
10046 | 20 | HE | 9.725 | 1 |
10055 | 73 | HE | 9.344 | 1 |
10066 | 11 | HE | 9.308 | 1 |
10083 | 125 | HE | 9.176 | 1 |
10088 | 96 | HE | 9.206 | 1 |
10100 | 94 | HE | 9.075 | 1 |
10101 | 80 | HE | 9.877 | 1 |
10120 | 71 | HE | 9.121 | 1 |
10165 | 66 | HE | 9.891 | 1 |
10250 | 140 | HE | 9.850 | 1 |
10259 | 96 | HE | 9.569 | 1 |
10265 | 36 | HE | 9.310 | 1 |
10281 | 58 | HE | 9.513 | 1 |
10288 | 36 | HE | 9.494 | 1 |
10292 | 64 | HE | 9.300 | 1 |
10295 | 68 | HE | 9.375 | 1 |
10296 | 58 | HE | 9.557 | 1 |
10314 | 45 | HE | 10.198 | 1 |
11083 | 13 | HE | 9.121 | 1 |
11099 | 48 | HE | 9.433 | 1 |
11112 | 58 | HE | 9.219 | 1 |
11122 | 105 | HE | 10.302 | 1 |
11134 | 44 | HE | 9.357 | 1 |
11182 | 114 | HE | 9.568 | 1 |
11187 | 109 | HE | 9.597 | 1 |
11189 | 56 | HE | 9.075 | 1 |
11189 | 96 | HE | 9.278 | 1 |
11191 | 101 | HE | 9.175 | 1 |
11202 | 58 | HE | 9.191 | 1 |
11202 | 98 | HE | 9.448 | 1 |
11207 | 103 | HE | 9.227 | 1 |
11308 | 65 | HE | 9.065 | 1 |
11330 | 49 | HE | 9.673 | 1 |
11334 | 13 | HE | 9.573 | 1 |
11355 | 56 | HE | 10.351 | 1 |
11398 | 120 | HE | 9.077 | 1 |
11468 | 6 | HE | 9.426 | 1 |
11501 | 89 | HE | 9.200 | 1 |
15058 | 52 | HE | 10.586 | 1 |
15063 | 57 | HE | 9.623 | 1 |
15133 | 33 | HE | 9.27 | 1 |
15137 | 10 | HE | 9.389 | 1 |
15137 | 23 | HE | 9.465 | 1 |
15230 | 175 | HE | 9.091 | 1 |
15256 | 46 | HE | 9.268 | 1 |
15335 | 139 | HE | 9.369 | 1 |
15401 | 10 | HE | 9.857 | 1 |
15401 | 13 | HE | 9.837 | 1 |
15402 | 13 | HE | 9.890 | 1 |
15433 | 122 | HE | 9.800 | 1 |
15434 | 122 | HE | 9.800 | 1 |
15525 | 177 | HE | 9.083 | 1 |
15577 | 13 | HE | 11.048 | 1 |
15603 | 122 | HE | 9.197 | 1 |
15658 | 72 | HE | 9.063 | 1 |
15659 | 72 | HE | 9.075 | 1 |
15661 | 23 | HE | 9.749 | 1 |
15718 | 110 | HE | 9.335 | 1 |
15778 | 16 | HE | 9.533 | 1 |
15795 | 43 | HE | 11.234 | 1 |
15803 | 177 | HE | 9.083 | 1 |
15954 | 36 | HE | 9.059 | 1 |
15989 | 85 | HE | 9.18 | 1 |
15999 | 11 | HE | 10.44 | 1 |
16037 | 101 | HE | 9.149 | 1 |
16038 | 87 | HE | 9.301 | 1 |
16042 | 78 | HE | 9.450 | 1 |
16048 | 78 | HE | 9.450 | 1 |
16049 | 78 | HE | 9.450 | 1 |
16098 | 6 | HE | 9.131 | 1 |
16124 | 52 | HE | 9.726 | 1 |
16196 | 72 | HE | 9.066 | 1 |
16197 | 72 | HE | 9.062 | 1 |
16199 | 72 | HE | 9.074 | 1 |
16200 | 72 | HE | 9.069 | 1 |
16202 | 72 | HE | 9.067 | 1 |
16203 | 72 | HE | 9.071 | 1 |
16271 | 40 | HE | 9.581 | 9 |
16272 | 56 | HE | 9.199 | 1 |
16283 | 56 | HE | 9.201 | 1 |
16335 | 57 | HE | 9.294 | 1 |
16380 | 90 | HE | 9.717 | 1 |
16493 | 16 | HE | 9.80 | 1 |
16494 | 16 | HE | 9.80 | 1 |
16502 | 16 | HE | 9.78 | 1 |
16507 | 59 | HE | 9.321 | 1 |
16520 | 118 | HE | 9.535 | 1 |
16555 | 24 | HE | 9.452 | 1 |
16558 | 103 | HE | 9.061 | 1 |
16675 | 50 | HE | 9.546 | 1 |
16681 | 63 | HE | 9.878 | 1 |
16851 | 15 | HE | 9.20 | 1 |
16934 | 92 | HE | 9.598 | 1 |
16936 | 24 | HE | 9.713 | 1 |
16955 | 75 | HE | 10.860 | 1 |
16970 | 46 | HE | 9.448 | 1 |
17031 | 100 | HE | 9.56 | 1 |
17145 | 48 | HE | 9.3300 | 1 |
17145 | 54 | HE | 10.0050 | 1 |
17147 | 48 | HE | 9.4070 | 1 |
17147 | 54 | HE | 9.8919 | 1 |
17169 | 27 | HE | 9.135 | 1 |
17207 | 88 | HE | 9.756 | 1 |
17232 | 146 | HE | 9.661 | 1 |
17257 | 51 | HE | 9.782 | 1 |
17303 | 121 | HE | 10.29 | 1 |
17307 | 41 | HE | 9.335 | 1 |
17311 | 43 | HE | 9.166 | 1 |
17318 | 120 | HE | 9.791 | 1 |
17318 | 41 | HE | 10.350 | 1 |
17319 | 113 | HE | 9.549 | 1 |
17319 | 34 | HE | 10.256 | 1 |
17452 | 33 | HE | 9.4100 | 1 |
17452 | 54 | HE | 9.8000 | 1 |
17629 | 7 | HE | 9.346 | 1 |
17762 | 10 | HE | 9.679 | 1 |
17808 | 17 | HE | 9.224 | |
18015 | 33 | HE | 9.343 | 1 |
18015 | 54 | HE | 9.861 | 1 |
18098 | 25 | HE | 9.174 | 1 |
18200 | 87 | HE | 10.190 | 1 |
18387 | 45 | HE | 9.329 | 1 |
18391 | 70 | HE | 9.392 | 1 |
18391 | 70 | HE | 9.411 | 1 |
18443 | 97 | HE | 9.138 | 1 |
18462 | 54 | HE | 10.044 | 1 |
18462 | 78 | HE | 9.452 | 1 |
18491 | 15 | HE | 9.26 | 1 |
18495 | 65 | HE | 9.26 | 1 |
18811 | 20 | HE | 11.666801 | 1 |
18824 | 75 | HE | 9.519 | 1 |
18825 | 75 | HE | 9.578 | 1 |
19033 | 45 | HE | 9.500 | 1 |
19340 | 21 | HE | 10.091568 | |
19413 | 110 | HE | 9.183 | 1 |
19417 | 185 | HE | 9.377 | 1 |
19654 | 45 | HE | 9.799 | |
19842 | 127 | HE | 9.402 | 1 |
19854 | 140 | HE | 9.099 | 1 |
19939 | 20 | HE | 9.596 | 1 |
19943 | 24 | HE | 9.126 | |
19946 | 24 | HE | 9.103 | |
25043 | 110 | HE | 9.368 | 1 |
25243 | 122 | HE | 10.277 | |
25287 | 72 | HE | 9.066 | 1 |
25446 | 70 | HE | 9.454 | |
25447 | 72 | HE | 9.356 | |
25499 | 20 | HE | 9.278 | 1 |
25544 | 68 | HE | 9.587 | 1 |
25646 | 182 | HE | 9.420 | 1 |
25663 | 40 | HE | 9.454 | |
25663 | 81 | HE | 9.812 | |
25979 | 73 | HE | 9.919 | 1 |
26010 | 100 | HE | 10.190 | |
26620 | 83 | HE | 9.736 | |
26931 | 19 | HE | 9.595 | 1 |
27313 | 132 | HE | 9.096 | 1 |
27405 | 76 | HE | 10.041 | 1 |
27434 | 225 | HE | 10.0 | 1 |
27690 | 90 | HE | 10.525 | |
27978 | 104 | HE | 9.497 | 1 |
28042 | 96 | HE | 9.919 | |
30102 | 18 | HE | 9.704 | |
30139 | 48 | HE | 9.42 | 1 |
30450 | 101 | HE | 9.642 | 1 |
30457 | 73 | HE | 10.041 | 1 |
30458 | 82 | HE | 9.966 | 1 |
30500 | 73 | HE | 9.647 | 1 |
30550 | 103 | HE | 9.414 | 1 |
30590 | 72 | HE | 9.458 | 1 |
30610 | 45 | HE | 9.799 | |
30769 | 189 | HE | 9.694 | 1 |
30824 | 96 | HE | 9.662 | |
30933 | 7 | HE | 9.633 | |
30934 | 7 | HE | 9.634 | |
30937 | 78 | HE | 9.304 | 1 |
30977 | 19 | HE | 9.062 | 1 |
30985 | 34 | HE | 9.382 | |
31056 | 54 | HE | 9.2780 | 1 |
34007 | 14 | HE | 9.121 | 1 |
34009 | 24 | HE | 9.126 | |
34010 | 24 | HE | 9.063 | |
34121 | 117 | HE | 9.416 | 1 |
34223 | 46 | HE | 10.900 | 1 |
34224 | 46 | HE | 10.920 | 1 |
34226 | 60 | HE | 9.267 | 1 |
34248 | 7 | HE | 9.273 | 1 |
34260 | 74 | HE | 9.164 | |
34329 | 46 | HE | 10.672 | 1 |
34329 | 80 | HE | 9.512 | 1 |
34376 | 117 | HE | 9.988 | |
34395 | 53 | HE | 9.132 | 1 |
34466 | 66 | HE | 9.231 | |
34538 | 90 | HE | 9.984 | |
34584 | 122 | HE | 9.321 | 1 |
34586 | 47 | HE | 11.081 | 1 |
34586 | 81 | HE | 9.902 | 1 |
34628 | 8 | HE | 9.62 | 1 |
34745 | 25 | HE | 9.326 | 1 |
36077 | 68 | HE | 9.311 | 1 |
36078 | 68 | HE | 9.243 | 1 |
36162 | 11 | HE | 9.0960 | 1 |
36405 | 110 | HE | 10.0270 | 1 |
36405 | 111 | HE | 9.1610 | 1 |
36405 | 72 | HE | 11.3700 | 1 |
50336 | 49 | HE | 10.27 | 1 |
50356 | 122 | HE | 9.321 | 1 |
50747 | 99 | HE | 9.885 | 1 |
51163 | 46 | HE | 10.097 | |
51855 | 30 | HE | 9.732 | 1 |
51857 | 27 | HE | 9.772 | 1 |
51858 | 30 | HE | 9.802 | 1 |
51858 | 30 | HE | 9.803 | 1 |
52266 | 1 | HE | 9.241 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
306 | 16 | HE | 3.25 | 1 |
4130 | 47 | HE | 3.07 | |
4131 | 47 | HE | 3.07 | |
4214 | 20 | HE | 5.525 | |
4267 | 141 | HE | 5.31 | 1 |
4308 | 75 | HE | 3.950 | 1 |
4308 | 77 | HE | 2.278 | 1 |
4353 | 115 | HE | 2.76 | 1 |
4386 | 2 | HE | 3.00 | |
4428 | 22 | HE | 3.08 | |
4592 | 1 | HE | 3.24 | |
4636 | 169 | HE | 3.20 | |
4681 | 105 | HE | 5.57 | |
4838 | 3 | HE | 3.21 | 1 |
4930 | 14 | HE | 5.54 | 1 |
4933 | 14 | HE | 5.54 | 1 |
5319 | 105 | HE | 5.02 | 1 |
5328 | 23 | HE | 4.185 | 1 |
5345 | 22 | HE | 1.150 | 1 |
5483 | 22 | HE | 5.578 | 1 |
5771 | 18 | HE | 5.49 | 1 |
6026 | 115 | HE | 4.565 | 1 |
6175 | 28 | HE | 5.412 | 1 |
6175 | 30 | HE | 5.142 | 1 |
6407 | 48 | HE | 3.79 | 1 |
6525 | 38 | HE | 3.892 | 1 |
6913 | 87 | HE | 5.646 | 1 |
6981 | 23 | HE | 3.084 | 1 |
10012 | 43 | HE | 3.028 | 1 |
10093 | 70 | HE | 4.719 | 1 |
10094 | 80 | HE | 4.940 | 1 |
10125 | 51 | HE | 5.361 | 1 |
10129 | 92 | HE | 5.172 | 1 |
10278 | 10 | HE | 3.555 | 1 |
11055 | 53 | HE | 5.550 | 1 |
11088 | 10 | HE | 5.394 | 1 |
11097 | 59 | HE | 5.414 | 1 |
11118 | 49 | HE | 5.447 | 1 |
11288 | 89 | HE | 5.601 | 1 |
11304 | 90 | HE | 5.191 | 1 |
15092 | 146 | HE | 3.200 | 1 |
15522 | 2 | HE | 2.99 | 1 |
15560 | 26 | HE | 2.95 | 1 |
15718 | 104 | HE | 5.348 | 1 |
15718 | 108 | HE | 5.162 | 1 |
15751 | 7 | HE | 5.445 | 1 |
16674 | 71 | HE | 2.783 | 1 |
17414 | 115 | HE | 2.876 | 1 |
17952 | 111 | HE | 3.237 | 1 |
17952 | 114 | HE | 3.240 | 1 |
17952 | 117 | HE | 3.255 | 1 |
17952 | 27 | HE | 3.159 | 1 |
17952 | 99 | HE | 3.219 | 1 |
17957 | 32 | HE | 5.5840 | 1 |
18124 | 56 | HE | 3.217 | 1 |
18186 | 55 | HE | 5.5 | 1 |
18562 | 41 | HE | 3.301 | |
18565 | 43 | HE | 3.175 | |
18565 | 71 | HE | 3.162 | |
18632 | 38 | HE | 5.616 | 1 |
18632 | 38 | HE | 5.621 | 1 |
19302 | 78 | HE | 2.994 | |
19395 | 134 | HE | 3.053 | |
19489 | 55 | HE | 2.201 | |
19974 | 32 | HE | 5.5840 | 1 |
25459 | 80 | HE | 3.010 | 1 |
34773 | 132 | HE | 4.474 | |
34773 | 49 | HE | 4.468 | |
36264 | 71 | HE | 4.834 | 1 |
36334 | 25 | HE | 4.932 | 1 |
36336 | 16 | HE | 4.062 | 1 |
36336 | 35 | HE | 4.727 | 1 |
36336 | 59 | HE | 4.727 | 1 |
50001 | 17 | HE | 5.648 | 1 |
50335 | 13 | HE | 4.76 | 1 |
50335 | 46 | HE | 4.77 | 1 |
50336 | 13 | HE | 4.07 | 1 |
50336 | 47 | HE | 4.27 | 1 |
50336 | 9 | HE | 3.26 | 1 |
52077 | 24 | HE | 3.174 | 1 |
52077 | 39 | HE | 3.053 | 1 |
52077 | 83 | HE | 2.572 | 1 |