Average chemical shift: 2.396
Standard deviation: 0.371
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
229 | 86 | HG3 | 3.73 | 2 |
233 | 85 | HG3 | 26.8 | 2 |
234 | 89 | HG3 | 31.7 | 2 |
235 | 86 | HG3 | 25.1 | 2 |
330 | 85 | HG3 | 30.7 | 2 |
336 | 80 | HG3 | 3.73 | 2 |
346 | 69 | HG3 | 3.55 | 2 |
499 | 80 | HG3 | 25.3 | 2 |
500 | 81 | HG3 | 28.4 | 2 |
543 | 80 | HG3 | 24.9 | 2 |
759 | 61 | HG3 | 3.55 | 2 |
922 | 85 | HG3 | 3.72 | 2 |
957 | 80 | HG3 | 3.8 | 1 |
1058 | 80 | HG3 | 28.1 | 2 |
1192 | 84 | HG3 | 30.7 | 2 |
1571 | 7 | HG3 | 8.3 | 2 |
1647 | 96 | HG3 | 3.59 | 2 |
2366 | 80 | HG3 | 3.73 | 2 |
2367 | 80 | HG3 | 4.93 | 2 |
2368 | 80 | HG3 | 3.6 | 2 |
2488 | 89 | HG3 | 31.6 | 2 |
4797 | 164 | HG3 | 3.72 | 2 |
5597 | 50 | HG3 | 3.55 | 1 |
5895 | 8 | HG3 | 3.67 | |
6160 | 51 | HG3 | 4.240 | 2 |
6725 | 13 | HG3 | 3.67 | 2 |
15746 | 86 | HG3 | 3.530 | 2 |
15927 | 162 | HG3 | 3.585 | 2 |
16630 | 161 | HG3 | 3.582 | 2 |
25802 | 42 | HG3 | 3.573 | 2 |
27434 | 487 | HG3 | 4.3 | 1 |
27869 | 46 | HG3 | 4.471 | 2 |
27869 | 48 | HG3 | 5.341 | 2 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
274 | 80 | HG3 | -28.7 | 1 |
285 | 80 | HG3 | -28.5 | 1 |
286 | 80 | HG3 | -3.75 | 1 |
316 | 80 | HG3 | -3.73 | 1 |
317 | 80 | HG3 | -27.6 | 1 |
331 | 85 | HG3 | -32.3 | 1 |
345 | 85 | HG3 | -3.72 | 1 |
569 | 105 | HG3 | .55 | 1 |
645 | 80 | HG3 | -27.62 | 1 |
923 | 85 | HG3 | -30.11 | 1 |
1093 | 105 | HG3 | .55 | 1 |
1171 | 80 | HG3 | -28.65 | 1 |
1333 | 61 | HG3 | .54 | 2 |
1720 | 85 | HG3 | -3.72 | 1 |
1775 | 80 | HG3 | -28.19 | 1 |
1777 | 80 | HG3 | -27.8 | 1 |
1779 | 80 | HG3 | -28.13 | 1 |
1781 | 80 | HG3 | -28.14 | 1 |
1783 | 80 | HG3 | -28.25 | 1 |
1785 | 80 | HG3 | -27.85 | 1 |
1787 | 80 | HG3 | -28.14 | 1 |
1789 | 80 | HG3 | -28.13 | 1 |
1791 | 84 | HG3 | -30.63 | 1 |
1793 | 84 | HG3 | -30.32 | 1 |
1795 | 84 | HG3 | -30.84 | 1 |
1797 | 84 | HG3 | -30.59 | 1 |
4150 | 86 | HG3 | 1.012 | |
4154 | 24 | HG3 | 0.69 | 1 |
4174 | 73 | HG3 | 0.86 | 2 |
4177 | 64 | HG3 | 0.61 | 2 |
4189 | 80 | HG3 | -3.77 | 1 |
4314 | 58 | HG3 | 0.70 | 2 |
4370 | 30 | HG3 | 0.95 | 2 |
4370 | 31 | HG3 | 0.53 | 2 |
4384 | 79 | HG3 | 0.325 | 2 |
4397 | 63 | HG3 | 0.43 | 1 |
4401 | 82 | HG3 | 1.08 | 1 |
4418 | 24 | HG3 | 1.25 | 1 |
4419 | 24 | HG3 | 1.25 | 1 |
4471 | 78 | HG3 | -3.76 | 1 |
4497 | 26 | HG3 | 0.83 | |
4553 | 31 | HG3 | 0.72 | 2 |
4553 | 35 | HG3 | 0.42 | 2 |
4562 | 105 | HG3 | 0.54 | 2 |
4578 | 61 | HG3 | -3.58 | 1 |
4590 | 60 | HG3 | 0.55 | 2 |
4599 | 26 | HG3 | 0.83 | |
4628 | 83 | HG3 | 0.113 | |
4678 | 1 | HG3 | 0.94 | |
4681 | 11 | HG3 | 1.24 | |
4777 | 78 | HG3 | -33.86 | 1 |
4800 | 106 | HG3 | -0.94 | 2 |
4800 | 106 | HG3 | -1.06 | 2 |
4801 | 106 | HG3 | -26.13 | 2 |
4801 | 106 | HG3 | -33.69 | 2 |
4849 | 86 | HG3 | 0.96 | 2 |
4914 | 63 | HG3 | 0.18 | 2 |
4920 | 66 | HG3 | 0.933 | 2 |
4969 | 83 | HG3 | -0.030 | 2 |
4980 | 31 | HG3 | 0.46 | 2 |
5068 | 106 | HG3 | -0.07 | 2 |
5086 | 59 | HG3 | -3.36 | 2 |
5172 | 50 | HG3 | -24.70 | 2 |
5213 | 11 | HG3 | 1.205 | 1 |
5284 | 18 | HG3 | 1.28 | 1 |
5284 | 21 | HG3 | 1.24 | 1 |
5285 | 18 | HG3 | 1.26 | 1 |
5285 | 21 | HG3 | 1.24 | 1 |
5304 | 56 | HG3 | -1.24 | 2 |
5311 | 99 | HG3 | 1.04 | 1 |
5320 | 113 | HG3 | -0.04 | 1 |
5364 | 30 | HG3 | 1.18 | 2 |
5372 | 80 | HG3 | -3.80 | 1 |
5392 | 37 | HG3 | 0.76 | 2 |
5406 | 80 | HG3 | -3.729 | 2 |
5480 | 72 | HG3 | 1.220 | 2 |
5503 | 83 | HG3 | 1.04 | 2 |
5558 | 10 | HG3 | 0.824 | 2 |
5578 | 49 | HG3 | 0.98 | |
5625 | 11 | HG3 | 0.82 | 1 |
5706 | 130 | HG3 | 0.631 | 1 |
5706 | 68 | HG3 | 1.092 | 1 |
5770 | 144 | HG3 | 0.86 | 2 |
5770 | 71 | HG3 | 1.26 | 2 |
5803 | 106 | HG3 | -0.06 | 2 |
5804 | 106 | HG3 | -0.10 | 2 |
5827 | 80 | HG3 | -3.72 | 4 |
5844 | 15 | HG3 | 1.252 | 2 |
5873 | 15 | HG3 | -0.11 | 2 |
5928 | 88 | HG3 | 1.13 | 2 |
5975 | 81 | HG3 | 1.256 | 2 |
5975 | 81 | HG3 | 1.267 | 2 |
6072 | 10 | HG3 | 0.516 | 1 |
6129 | 12 | HG3 | 1.259 | |
6162 | 13 | HG3 | 0.91 | 2 |
6282 | 21 | HG3 | 0.86 | 2 |
6310 | 61 | HG3 | 0.940 | |
6334 | 93 | HG3 | -0.469 | 1 |
6375 | 60 | HG3 | -0.302 | 2 |
6385 | 13 | HG3 | 1.045 | 1 |
6385 | 13 | HG3 | 1.083 | 1 |
6453 | 71 | HG3 | 0.42 | 2 |
6454 | 13 | HG3 | 0.820 | 2 |
6460 | 74 | HG3 | 1.139 | 2 |
6476 | 13 | HG3 | 0.927 | 2 |
6631 | 47 | HG3 | 0.506 | 2 |
6654 | 6 | HG3 | 1.28 | 1 |
6686 | 73 | HG3 | 1.26 | |
6850 | 51 | HG3 | 1.253 | 1 |
6883 | 100 | HG3 | 1.109 | 2 |
6883 | 33 | HG3 | 0.066 | 2 |
6966 | 71 | HG3 | -2.35 | 2 |
7004 | 43 | HG3 | 0.18 | 2 |
7119 | 117 | HG3 | 0.974 | 2 |
7159 | 105 | HG3 | 0.56 | |
7160 | 105 | HG3 | -0.07 | |
7185 | 26 | HG3 | 0.930 | 2 |
7220 | 134 | HG3 | 1.230 | 2 |
7227 | 13 | HG3 | 1.20 | 1 |
7231 | 78 | HG3 | 1.200 | 2 |
7286 | 60 | HG3 | 1.215 | 2 |
7296 | 61 | HG3 | -0.535 | 2 |
7310 | 61 | HG3 | 1.025 | 1 |
7351 | 128 | HG3 | 0.406 | 2 |
7381 | 78 | HG3 | 1.184 | 2 |
10030 | 111 | HG3 | 0.311 | 2 |
10039 | 10 | HG3 | 1.056 | 2 |
10046 | 81 | HG3 | 0.674 | 2 |
10240 | 47 | HG3 | 0.256 | 2 |
10257 | 58 | HG3 | 0.846 | 2 |
10269 | 12 | HG3 | 1.153 | 2 |
10301 | 48 | HG3 | 0.136 | 2 |
10312 | 14 | HG3 | 0.971 | 2 |
11061 | 118 | HG3 | 1.198 | 2 |
11132 | 64 | HG3 | 1.239 | 2 |
11133 | 111 | HG3 | 1.268 | 2 |
11145 | 102 | HG3 | 0.769 | 2 |
11147 | 70 | HG3 | 0.403 | 2 |
11330 | 120 | HG3 | 0.454 | 2 |
11504 | 72 | HG3 | 1.238 | 2 |
11516 | 106 | HG3 | 1.148 | 2 |
11541 | 15 | HG3 | 1.158 | 2 |
11559 | 84 | HG3 | 1.189 | 1 |
15085 | 51 | HG3 | 1.180 | 2 |
15256 | 86 | HG3 | 0.915 | 2 |
15330 | 26 | HG3 | 1.248 | 2 |
15358 | 26 | HG3 | 1.248 | 2 |
15385 | 81 | HG3 | 1.230 | 2 |
15401 | 78 | HG3 | 1.184 | 2 |
15402 | 78 | HG3 | 1.193 | 2 |
15427 | 81 | HG3 | 1.250 | 2 |
15507 | 93 | HG3 | 1.243 | 2 |
15576 | 53 | HG3 | 0.212 | 2 |
15581 | 100 | HG3 | 0.544 | 2 |
15622 | 53 | HG3 | 1.275 | 2 |
15763 | 102 | HG3 | 1.08 | 2 |
15851 | 24 | HG3 | 0.317 | 2 |
15922 | 61 | HG3 | 1.027 | 2 |
15938 | 3 | HG3 | 1.174 | 2 |
16048 | 20 | HG3 | 1.121 | 2 |
16049 | 20 | HG3 | 1.121 | 2 |
16082 | 9 | HG3 | 0.997 | 1 |
16107 | 61 | HG3 | -0.229 | 2 |
16113 | 13 | HG3 | 1.20 | 2 |
16183 | 21 | HG3 | 0.869 | 2 |
16207 | 9 | HG3 | 1.090 | 2 |
16208 | 9 | HG3 | 1.215 | 2 |
16216 | 74 | HG3 | 1.10 | 2 |
16276 | 12 | HG3 | 0.893 | 2 |
16371 | 12 | HG3 | 0.46 | 2 |
16377 | 21 | HG3 | 0.87 | 2 |
16411 | 64 | HG3 | 0.637 | 2 |
16412 | 47 | HG3 | 0.401 | 2 |
16412 | 64 | HG3 | 0.543 | 2 |
16572 | 39 | HG3 | 0.400 | 2 |
16764 | 72 | HG3 | 1.24 | 2 |
16782 | 52 | HG3 | 1.09 | 2 |
16789 | 103 | HG3 | 0.954 | 2 |
16957 | 18 | HG3 | 1.277 | 2 |
16970 | 81 | HG3 | 1.157 | 2 |
17044 | 47 | HG3 | 0.401 | 2 |
17044 | 64 | HG3 | 0.543 | 2 |
17103 | 81 | HG3 | 1.226 | 2 |
17132 | 17 | HG3 | 0.759 | 2 |
17146 | 79 | HG3 | -1.90 | 2 |
17237 | 23 | HG3 | 0.521 | 2 |
17264 | 72 | HG3 | 1.189 | 2 |
17353 | 72 | HG3 | 1.040 | 2 |
17354 | 72 | HG3 | 1.042 | 2 |
17421 | 102 | HG3 | 0.802 | 2 |
17467 | 52 | HG3 | 1.1706 | 2 |
17530 | 38 | HG3 | 1.06 | 2 |
17621 | 65 | HG3 | 0.886 | 2 |
17636 | 41 | HG3 | 1.052 | 2 |
17656 | 73 | HG3 | 1.02 | 2 |
17694 | 87 | HG3 | 1.090 | |
17694 | 97 | HG3 | 1.230 | |
17720 | 3 | HG3 | 1.190 | 2 |
17806 | 93 | HG3 | 0.894 | 2 |
17904 | 85 | HG3 | -2.531 | |
17927 | 94 | HG3 | 0.456 | 2 |
18018 | 89 | HG3 | 1.071 | 2 |
18211 | 136 | HG3 | 1.191 | 2 |
18253 | 73 | HG3 | 1.03 | 2 |
18292 | 83 | HG3 | 1.229 | 2 |
18302 | 72 | HG3 | 0.9800 | 1 |
18321 | 269 | HG3 | 0.1429 | 2 |
18333 | 269 | HG3 | 0.1429 | 2 |
18435 | 81 | HG3 | 1.26 | 2 |
18480 | 20 | HG3 | 1.115 | 2 |
18530 | 120 | HG3 | 1.172 | 2 |
18533 | 25 | HG3 | 0.53 | 2 |
18539 | 80 | HG3 | 1.141 | 1 |
18615 | 153 | HG3 | 0.78 | 2 |
18636 | 122 | HG3 | 1.230 | 1 |
18642 | 38 | HG3 | 0.6560 | 2 |
18678 | 77 | HG3 | 1.208 | 2 |
18846 | 9 | HG3 | 0.91 | 2 |
18909 | 45 | HG3 | 0.746 | 2 |
18990 | 111 | HG3 | 0.6410 | 2 |
19001 | 80 | HG3 | 0.977 | 9 |
19156 | 30 | HG3 | 1.234 | 2 |
19169 | 107 | HG3 | 1.281 | 2 |
19235 | 111 | HG3 | 0.448 | 2 |
19413 | 93 | HG3 | 0.929 | 2 |
19422 | 69 | HG3 | 1.007 | 2 |
19431 | 21 | HG3 | 0.417 | 2 |
19432 | 73 | HG3 | 0.9130 | 2 |
19498 | 77 | HG3 | 1.138 | 2 |
19508 | 9 | HG3 | 0.986 | 1 |
19521 | 162 | HG3 | 0.726 | 1 |
19521 | 48 | HG3 | 0.672 | 1 |
19569 | 88 | HG3 | 0.708 | 2 |
19633 | 77 | HG3 | 1.117 | 2 |
19653 | 9 | HG3 | 0.927 | 2 |
19713 | 3 | HG3 | 1.161 | 2 |
19842 | 122 | HG3 | 1.063 | 2 |
19921 | 32 | HG3 | 1.04 | 1 |
19961 | 33 | HG3 | 0.350 | 2 |
19989 | 62 | HG3 | 0.514 | |
25102 | 4 | HG3 | 0.808 | 2 |
25120 | 81 | HG3 | 1.272 | 2 |
25232 | 35 | HG3 | 0.557 | |
25294 | 14 | HG3 | 1.249 | |
25326 | 113 | HG3 | 1.269 | |
25342 | 102 | HG3 | 1.101 | 2 |
25397 | 66 | HG3 | 0.954 | 2 |
25454 | 28 | HG3 | 0.875 | 2 |
25455 | 60 | HG3 | -1.248 | 2 |
25488 | 136 | HG3 | 1.196 | 2 |
25488 | 63 | HG3 | 0.340 | 1 |
25489 | 136 | HG3 | 1.196 | 2 |
25489 | 63 | HG3 | 0.340 | 1 |
25497 | 85 | HG3 | 0.801 | 2 |
25530 | 25 | HG3 | 1.170 | 1 |
25567 | 102 | HG3 | 1.062 | |
25568 | 7 | HG3 | 0.654 | 2 |
25584 | 97 | HG3 | 1.129 | 2 |
25612 | 50 | HG3 | 0.485 | 2 |
25660 | 80 | HG3 | -3.750 | 1 |
25757 | 146 | HG3 | 0.675 | 2 |
25757 | 74 | HG3 | 1.056 | 1 |
25797 | 81 | HG3 | 1.0050 | 2 |
25832 | 79 | HG3 | 0.924 | 2 |
25854 | 70 | HG3 | 1.014 | |
25855 | 70 | HG3 | 1.014 | |
25907 | 80 | HG3 | -1.892 | |
25969 | 52 | HG3 | 1.201 | |
26010 | 158 | HG3 | 0.973 | |
26780 | 78 | HG3 | 1.256 | 2 |
27033 | 81 | HG3 | 0.9640 | 2 |
27095 | 72 | HG3 | 1.166 | 2 |
27130 | 3 | HG3 | 0.0000 | 2 |
27159 | 71 | HG3 | 1.026 | 1 |
27192 | 9 | HG3 | 0.984 | 1 |
27313 | 11 | HG3 | 0.989 | 2 |
27393 | 34 | HG3 | 0.46 | 2 |
27579 | 130 | HG3 | 1.186 | 2 |
27951 | 91 | HG3 | 1.227 | 2 |
30154 | 25 | HG3 | 1.170 | 1 |
30288 | 81 | HG3 | 1.2290 | 2 |
30327 | 43 | HG3 | 0.394 | 1 |
30327 | 60 | HG3 | 0.594 | 1 |
30529 | 81 | HG3 | 1.1230 | 2 |
30569 | 116 | HG3 | 0.418 | 2 |
30679 | 86 | HG3 | 1.227 | |
30777 | 58 | HG3 | 0.589 | |
30809 | 12 | HG3 | 1.192 | 2 |
30962 | 81 | HG3 | 1.218 | |
30965 | 81 | HG3 | 1.200 | |
30966 | 60 | HG3 | 0.480 | |
30966 | 81 | HG3 | 1.178 | |
30967 | 81 | HG3 | 1.102 | |
30968 | 81 | HG3 | 1.274 | |
31005 | 81 | HG3 | 1.1230 | 2 |
34041 | 47 | HG3 | 1.128 | 1 |
34041 | 64 | HG3 | 1.022 | 1 |
34064 | 55 | HG3 | -3.293 | 2 |
34121 | 30 | HG3 | 1.156 | 2 |
34202 | 116 | HG3 | 1.241 | |
34226 | 73 | HG3 | 1.196 | 1 |
34235 | 16 | HG3 | 1.144 | 1 |
34263 | 72 | HG3 | 1.053 | 2 |
34497 | 72 | HG3 | 1.007 | 2 |
34608 | 85 | HG3 | 0.928 | 2 |
34643 | 50 | HG3 | 0.611 | 2 |
34660 | 70 | HG3 | 1.008 | |
36014 | 84 | HG3 | 1.238 | 1 |
36085 | 77 | HG3 | 0.739 | |
36342 | 135 | HG3 | 1.072 | 1 |
50015 | 66 | HG3 | 1.151 | 1 |
50208 | 73 | HG3 | 0.610 | 2 |
50269 | 83 | HG3 | -0.23 | 2 |
50355 | 26 | HG3 | 0.619 | 2 |
50711 | 52 | HG3 | -0.528 | 1 |
50901 | 31 | HG3 | 0.34 | 2 |
51034 | 130 | HG3 | 1.201 | 2 |
51043 | 130 | HG3 | 1.156 | 1 |
51077 | 74 | HG3 | 0.577 | 1 |