Average chemical shift: 2.421
Standard deviation: 0.354
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
131 | 85 | HG2 | 3.73 | 2 |
227 | 85 | HG2 | 3.66 | 2 |
228 | 89 | HG2 | 3.7 | 2 |
233 | 85 | HG2 | 31 | 2 |
234 | 89 | HG2 | 24.7 | 2 |
235 | 86 | HG2 | 32.7 | 2 |
499 | 80 | HG2 | 28.4 | 2 |
500 | 81 | HG2 | 24.2 | 2 |
543 | 80 | HG2 | 22.2 | 2 |
545 | 80 | HG2 | 3.73 | 2 |
923 | 69 | HG2 | 3.55 | 2 |
957 | 80 | HG2 | 3.8 | 1 |
1058 | 80 | HG2 | 25.1 | 2 |
1170 | 80 | HG2 | 3.74 | 2 |
1194 | 85 | HG2 | 30.9 | 2 |
1333 | 61 | HG2 | 3.55 | 2 |
1571 | 7 | HG2 | 16.2 | 2 |
1646 | 96 | HG2 | 3.62 | 2 |
2488 | 89 | HG2 | 26.1 | 2 |
6160 | 51 | HG2 | 4.400 | 2 |
6438 | 60 | HG2 | 3.56 | 2 |
11298 | 22 | HG2 | 3.667 | 2 |
16517 | 18 | HG2 | 3.52 | 2 |
17927 | 126 | HG2 | 3.554 | 2 |
18900 | 113 | HG2 | 3.548 | 2 |
18911 | 113 | HG2 | 3.540 | 2 |
27434 | 487 | HG2 | 4.3 | 1 |
27869 | 46 | HG2 | 4.014 | 2 |
27869 | 48 | HG2 | 4.067 | 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 | HG2 | -28.7 | 1 |
285 | 80 | HG2 | -28.5 | 1 |
286 | 80 | HG2 | -3.75 | 1 |
316 | 80 | HG2 | -3.73 | 1 |
317 | 80 | HG2 | -27.6 | 1 |
331 | 85 | HG2 | -32.3 | 1 |
337 | 56 | HG2 | 1.2 | 2 |
345 | 85 | HG2 | -1.79 | 1 |
346 | 85 | HG2 | -30.11 | 1 |
569 | 105 | HG2 | .55 | 1 |
645 | 80 | HG2 | -27.62 | 1 |
759 | 61 | HG2 | .48 | 2 |
923 | 85 | HG2 | -30.11 | 1 |
1093 | 105 | HG2 | .55 | 1 |
1171 | 80 | HG2 | -28.65 | 1 |
1720 | 85 | HG2 | -1.86 | 1 |
1775 | 80 | HG2 | -28.19 | 1 |
1777 | 80 | HG2 | -27.8 | 1 |
1779 | 80 | HG2 | -28.13 | 1 |
1781 | 80 | HG2 | -28.14 | 1 |
1783 | 80 | HG2 | -28.25 | 1 |
1785 | 80 | HG2 | -27.85 | 1 |
1787 | 80 | HG2 | -28.14 | 1 |
1789 | 80 | HG2 | -28.13 | 1 |
1791 | 84 | HG2 | -30.63 | 1 |
1793 | 84 | HG2 | -30.32 | 1 |
1795 | 84 | HG2 | -30.84 | 1 |
1797 | 84 | HG2 | -30.59 | 1 |
4019 | 57 | HG2 | 1.16 | 2 |
4044 | 83 | HG2 | 1.35 | 1 |
4056 | 72 | HG2 | 1.32 | 1 |
4150 | 86 | HG2 | 1.333 | |
4154 | 24 | HG2 | 0.69 | 1 |
4174 | 73 | HG2 | 1.14 | 2 |
4189 | 80 | HG2 | -1.89 | 1 |
4344 | 9 | HG2 | 1.35 | 2 |
4418 | 24 | HG2 | 1.25 | 1 |
4419 | 24 | HG2 | 1.25 | 1 |
4455 | 77 | HG2 | -0.36 | 2 |
4466 | 86 | HG2 | 1.320 | 2 |
4471 | 78 | HG2 | -1.94 | 1 |
4562 | 105 | HG2 | 0.04 | 2 |
4578 | 61 | HG2 | -0.54 | 1 |
4678 | 1 | HG2 | 0.94 | |
4706 | 37 | HG2 | 1.059 | 2 |
4706 | 78 | HG2 | 1.119 | 2 |
4717 | 101 | HG2 | 1.34 | |
4777 | 78 | HG2 | -33.86 | 1 |
4800 | 106 | HG2 | -2.19 | 2 |
4800 | 106 | HG2 | -2.20 | 2 |
4966 | 24 | HG2 | 1.346 | 1 |
4969 | 83 | HG2 | 1.343 | 2 |
5068 | 106 | HG2 | 0.52 | 2 |
5069 | 106 | HG2 | 0.56 | 2 |
5086 | 59 | HG2 | -1.08 | 2 |
5088 | 60 | HG2 | -1.09 | 2 |
5172 | 50 | HG2 | -1.10 | 2 |
5224 | 37 | HG2 | 0.3 | 2 |
5239 | 69 | HG2 | 1.09 | 4 |
5275 | 154 | HG2 | 0.700 | 2 |
5284 | 21 | HG2 | 1.11 | 1 |
5285 | 21 | HG2 | 1.10 | 1 |
5304 | 56 | HG2 | -3.94 | 2 |
5320 | 113 | HG2 | -0.04 | 1 |
5320 | 20 | HG2 | 1.26 | 1 |
5372 | 80 | HG2 | -1.92 | 1 |
5386 | 81 | HG2 | 1.27 | 2 |
5406 | 80 | HG2 | -2.564 | 2 |
5480 | 72 | HG2 | 1.300 | 2 |
5558 | 10 | HG2 | 0.781 | 2 |
5564 | 72 | HG2 | 0.40 | 2 |
5578 | 49 | HG2 | 1.08 | |
5597 | 50 | HG2 | -1.77 | 1 |
5625 | 11 | HG2 | 0.82 | 1 |
5751 | 104 | HG2 | 1.167 | 1 |
5754 | 106 | HG2 | 0.928 | 1 |
5770 | 144 | HG2 | 1.01 | 2 |
5770 | 71 | HG2 | 1.35 | 2 |
5803 | 106 | HG2 | 0.51 | 2 |
5804 | 106 | HG2 | 0.54 | 2 |
5827 | 80 | HG2 | -1.86 | 4 |
5844 | 15 | HG2 | 1.282 | 2 |
5904 | 81 | HG2 | 1.35 | 2 |
5975 | 81 | HG2 | 0.984 | 2 |
5975 | 81 | HG2 | 1.042 | 2 |
5989 | 24 | HG2 | 1.317 | 1 |
5989 | 24 | HG2 | 1.324 | 1 |
6049 | 50 | HG2 | 1.000 | |
6120 | 1 | HG2 | 1.31 | 1 |
6130 | 12 | HG2 | 1.26 | |
6310 | 61 | HG2 | 1.043 | |
6334 | 93 | HG2 | 1.251 | 1 |
6365 | 38 | HG2 | 1.00 | 2 |
6369 | 35 | HG2 | 1.20 | 2 |
6375 | 51 | HG2 | 1.104 | 2 |
6444 | 132 | HG2 | 0.981 | |
6453 | 71 | HG2 | 1.33 | 2 |
6454 | 13 | HG2 | 1.060 | 2 |
6460 | 16 | HG2 | 0.909 | 2 |
6541 | 72 | HG2 | 1.289 | 1 |
6551 | 35 | HG2 | 0.463 | |
6603 | 7 | HG2 | 1.295 | 2 |
6634 | 11 | HG2 | 0.92 | 2 |
6654 | 6 | HG2 | 1.28 | 1 |
6686 | 73 | HG2 | 1.15 | |
6834 | 96 | HG2 | 1.206 | 2 |
6847 | 7 | HG2 | 1.269 | 2 |
6883 | 100 | HG2 | 1.305 | 2 |
6966 | 71 | HG2 | -2.06 | 2 |
6980 | 113 | HG2 | 0.702 | 2 |
7112 | 56 | HG2 | -0.405 | 2 |
7119 | 117 | HG2 | 1.025 | 2 |
7159 | 105 | HG2 | 0.56 | |
7160 | 105 | HG2 | 0.52 | |
7187 | 62 | HG2 | 0.743 | 2 |
7218 | 78 | HG2 | 0.373 | |
7219 | 151 | HG2 | 1.220 | 2 |
7220 | 134 | HG2 | 0.445 | 2 |
7227 | 13 | HG2 | 1.20 | 1 |
7287 | 81 | HG2 | 1.308 | 1 |
7296 | 61 | HG2 | -3.667 | 2 |
7310 | 61 | HG2 | 1.025 | 1 |
7351 | 128 | HG2 | 1.102 | 2 |
7381 | 78 | HG2 | 0.933 | 2 |
10027 | 23 | HG2 | 1.25 | 1 |
10039 | 10 | HG2 | 0.321 | 2 |
10113 | 27 | HG2 | 1.288 | 2 |
10120 | 64 | HG2 | 0.366 | 2 |
10164 | 100 | HG2 | 0.842 | 2 |
10257 | 58 | HG2 | 1.209 | 2 |
10312 | 14 | HG2 | 0.375 | 2 |
10317 | 111 | HG2 | 1.052 | 2 |
11001 | 162 | HG2 | 1.02 | 2 |
11035 | 9 | HG2 | 1.251 | 2 |
11133 | 111 | HG2 | 0.334 | 2 |
11141 | 95 | HG2 | 1.176 | 2 |
11143 | 112 | HG2 | 1.090 | 2 |
11255 | 36 | HG2 | 1.170 | 2 |
11267 | 51 | HG2 | 0.303 | 2 |
11267 | 85 | HG2 | 1.323 | 2 |
11330 | 120 | HG2 | 1.119 | 2 |
11376 | 77 | HG2 | 1.338 | 2 |
11451 | 49 | HG2 | 0.833 | 2 |
11507 | 28 | HG2 | 1.257 | 1 |
11541 | 15 | HG2 | 0.764 | 2 |
11559 | 84 | HG2 | 1.189 | 1 |
11560 | 84 | HG2 | 1.301 | 1 |
11570 | 64 | HG2 | 1.1730 | 1 |
11588 | 84 | HG2 | 1.347 | 1 |
15049 | 136 | HG2 | 1.342 | 1 |
15167 | 122 | HG2 | 0.69 | 2 |
15330 | 26 | HG2 | 0.759 | 2 |
15358 | 26 | HG2 | 0.738 | 2 |
15385 | 81 | HG2 | 1.230 | 2 |
15388 | 81 | HG2 | 1.230 | 2 |
15400 | 81 | HG2 | 1.260 | 2 |
15401 | 78 | HG2 | 0.933 | 2 |
15402 | 78 | HG2 | 0.961 | 2 |
15427 | 81 | HG2 | 1.070 | 2 |
15593 | 111 | HG2 | 0.883 | 2 |
15597 | 113 | HG2 | 1.142 | 2 |
15597 | 96 | HG2 | 1.283 | 2 |
15598 | 113 | HG2 | 1.180 | 2 |
15598 | 96 | HG2 | 1.292 | 2 |
15663 | 76 | HG2 | 1.06 | 1 |
15765 | 45 | HG2 | 0.756 | 1 |
15922 | 61 | HG2 | 1.151 | 2 |
15938 | 3 | HG2 | 1.256 | 2 |
15988 | 67 | HG2 | 0.154 | 2 |
16042 | 20 | HG2 | 1.180 | 2 |
16046 | 20 | HG2 | 1.331 | 2 |
16048 | 20 | HG2 | 1.101 | 2 |
16049 | 20 | HG2 | 1.101 | 2 |
16082 | 9 | HG2 | 0.997 | 1 |
16113 | 13 | HG2 | 1.20 | 2 |
16175 | 55 | HG2 | 0.880 | 2 |
16175 | 89 | HG2 | 0.920 | 2 |
16183 | 21 | HG2 | 0.887 | 2 |
16216 | 74 | HG2 | 1.26 | 2 |
16278 | 12 | HG2 | 0.803 | 2 |
16305 | 84 | HG2 | 1.055 | 2 |
16338 | 72 | HG2 | 1.27 | 2 |
16411 | 47 | HG2 | 0.438 | 2 |
16411 | 64 | HG2 | 0.806 | 2 |
16412 | 64 | HG2 | 0.768 | 2 |
16764 | 72 | HG2 | 1.24 | 2 |
16811 | 64 | HG2 | 1.2070 | 2 |
16881 | 137 | HG2 | -0.42 | 2 |
17028 | 9 | HG2 | 0.795 | 1 |
17044 | 64 | HG2 | 0.768 | 2 |
17103 | 81 | HG2 | 1.184 | 2 |
17144 | 79 | HG2 | 0.29 | 2 |
17146 | 79 | HG2 | -3.78 | 2 |
17257 | 48 | HG2 | 0.717 | 2 |
17264 | 72 | HG2 | 1.042 | 2 |
17303 | 18 | HG2 | 1.35 | 1 |
17353 | 72 | HG2 | 0.903 | 2 |
17354 | 72 | HG2 | 0.928 | 2 |
17467 | 52 | HG2 | 0.6433 | 2 |
17530 | 38 | HG2 | 0.77 | 2 |
17621 | 65 | HG2 | 1.187 | 2 |
17656 | 73 | HG2 | 1.30 | 2 |
17694 | 87 | HG2 | 1.090 | |
17720 | 3 | HG2 | 1.280 | 2 |
17762 | 30 | HG2 | 0.479 | 2 |
17771 | 72 | HG2 | 1.316 | 2 |
17904 | 85 | HG2 | -3.760 | |
18086 | 33 | HG2 | 0.758 | 2 |
18253 | 73 | HG2 | 1.30 | 2 |
18302 | 72 | HG2 | 0.7300 | 1 |
18388 | 9 | HG2 | 1.255 | 2 |
18530 | 120 | HG2 | 0.808 | 2 |
18569 | 106 | HG2 | 1.263 | 2 |
18632 | 139 | HG2 | 1.027 | 2 |
18632 | 139 | HG2 | 1.030 | 2 |
18636 | 122 | HG2 | 1.230 | 1 |
18677 | 22 | HG2 | 0.826 | |
18698 | 90 | HG2 | 1.35 | 2 |
18734 | 38 | HG2 | 1.002 | 1 |
18770 | 43 | HG2 | 1.33 | 2 |
18845 | 9 | HG2 | 1.250 | 2 |
18846 | 9 | HG2 | 1.274 | 2 |
18953 | 91 | HG2 | 0.8320 | 2 |
18976 | 75 | HG2 | 1.306 | 1 |
19098 | 58 | HG2 | 1.206 | 2 |
19235 | 111 | HG2 | 1.208 | 2 |
19413 | 93 | HG2 | 0.929 | 2 |
19421 | 69 | HG2 | 1.010 | 2 |
19498 | 77 | HG2 | 0.831 | 2 |
19508 | 9 | HG2 | 0.986 | 1 |
19521 | 162 | HG2 | 0.726 | 1 |
19521 | 48 | HG2 | 0.672 | 1 |
19607 | 6 | HG2 | 1.186 | 1 |
19627 | 89 | HG2 | 1.219 | 2 |
19653 | 9 | HG2 | 1.280 | 2 |
19713 | 3 | HG2 | 1.259 | 2 |
19727 | 21 | HG2 | 1.300 | |
19735 | 67 | HG2 | 1.344 | 2 |
19758 | 32 | HG2 | 1.294 | 1 |
19842 | 122 | HG2 | 0.927 | 2 |
19921 | 32 | HG2 | 1.21 | 1 |
25102 | 4 | HG2 | 1.001 | 2 |
25155 | 43 | HG2 | 0.821 | |
25455 | 60 | HG2 | -3.319 | 2 |
25482 | 169 | HG2 | 1.353 | 2 |
25485 | 135 | HG2 | 1.264 | 2 |
25485 | 62 | HG2 | 0.382 | 2 |
25495 | 81 | HG2 | 1.081 | 2 |
25530 | 25 | HG2 | 1.170 | 1 |
25544 | 13 | HG2 | 0.931 | 2 |
25568 | 7 | HG2 | 0.288 | 2 |
25577 | 58 | HG2 | 0.210 | 2 |
25577 | 92 | HG2 | 1.261 | 1 |
25660 | 80 | HG2 | -2.050 | 1 |
25757 | 146 | HG2 | 1.109 | 2 |
25796 | 49 | HG2 | 1.312 | 2 |
25797 | 81 | HG2 | 1.2190 | 2 |
25832 | 79 | HG2 | 1.287 | 2 |
25868 | 90 | HG2 | 0.936 | 1 |
25870 | 77 | HG2 | 1.195 | 2 |
25871 | 77 | HG2 | 1.141 | 2 |
25907 | 80 | HG2 | -3.741 | |
25969 | 52 | HG2 | 1.201 | |
26010 | 158 | HG2 | 0.562 | |
27033 | 81 | HG2 | 0.9640 | 2 |
27086 | 24 | HG2 | 1.277 | 1 |
27095 | 72 | HG2 | 1.001 | 2 |
27159 | 71 | HG2 | 1.037 | 1 |
27192 | 9 | HG2 | 0.984 | 1 |
27313 | 11 | HG2 | 1.319 | 2 |
27519 | 84 | HG2 | 0.05 | 1 |
27579 | 130 | HG2 | 1.186 | 2 |
27606 | 29 | HG2 | 1.202 | 2 |
27869 | 67 | HG2 | 1.298 | 2 |
30063 | 72 | HG2 | 1.293 | 2 |
30118 | 54 | HG2 | 0.5220 | 2 |
30154 | 25 | HG2 | 1.170 | 1 |
30172 | 25 | HG2 | 1.2770 | 1 |
30288 | 81 | HG2 | 1.0770 | 2 |
30308 | 81 | HG2 | 1.1650 | 2 |
30327 | 60 | HG2 | 0.751 | 1 |
30550 | 44 | HG2 | 1.317 | 2 |
30590 | 29 | HG2 | 1.294 | 2 |
30774 | 81 | HG2 | 1.0700 | 2 |
30962 | 60 | HG2 | 0.732 | |
30963 | 81 | HG2 | 1.179 | |
30965 | 60 | HG2 | 0.696 | |
30967 | 81 | HG2 | 1.136 | |
30968 | 81 | HG2 | 1.160 | |
31006 | 81 | HG2 | 1.1230 | 2 |
34003 | 65 | HG2 | 1.326 | |
34039 | 25 | HG2 | 1.2500 | 1 |
34041 | 47 | HG2 | 1.355 | 1 |
34058 | 47 | HG2 | 1.144 | 2 |
34058 | 64 | HG2 | 1.054 | 2 |
34064 | 55 | HG2 | -1.248 | 2 |
34080 | 43 | HG2 | 0.823 | 2 |
34106 | 52 | HG2 | 1.090 | |
34125 | 24 | HG2 | 1.3200 | 1 |
34146 | 61 | HG2 | 1.008 | 2 |
34178 | 28 | HG2 | 1.310 | 2 |
34184 | 45 | HG2 | 0.46 | 2 |
34223 | 48 | HG2 | 1.240 | 1 |
34225 | 154 | HG2 | 0.7400 | 2 |
34226 | 73 | HG2 | 1.133 | 1 |
34235 | 16 | HG2 | 0.797 | 1 |
34235 | 59 | HG2 | 0.959 | 1 |
34235 | 68 | HG2 | 0.051 | 1 |
34262 | 72 | HG2 | 1.33 | 1 |
34263 | 72 | HG2 | 1.196 | 2 |
34462 | 28 | HG2 | 1.059 | 1 |
34480 | 84 | HG2 | 0.943 | 2 |
34496 | 72 | HG2 | 1.351 | 2 |
34497 | 72 | HG2 | 1.140 | 2 |
34541 | 36 | HG2 | 0.991 | |
34608 | 85 | HG2 | 1.000 | 2 |
34638 | 26 | HG2 | 1.309 | |
34660 | 70 | HG2 | 1.322 | |
34887 | 52 | HG2 | 0.990 | 2 |
34887 | 61 | HG2 | -0.439 | 2 |
36006 | 58 | HG2 | 0.221 | 1 |
36006 | 92 | HG2 | 1.277 | 1 |
36007 | 58 | HG2 | 0.219 | 2 |
36007 | 92 | HG2 | 1.270 | 1 |
36014 | 84 | HG2 | 1.238 | 1 |
36085 | 77 | HG2 | -0.046 | |
36163 | 97 | HG2 | 0.9440 | 2 |
36342 | 135 | HG2 | 1.072 | 1 |
50269 | 83 | HG2 | -0.43 | 2 |
50309 | 45 | HG2 | 1.298 | 2 |
50355 | 26 | HG2 | 1.188 | 2 |
50711 | 52 | HG2 | -0.528 | 1 |
51034 | 130 | HG2 | 1.201 | 2 |
51043 | 130 | HG2 | 1.156 | 1 |
51054 | 39 | HG2 | 1.215 | 2 |
51077 | 74 | HG2 | 0.577 | 1 |
51289 | 73 | HG2 | 1.332 | 1 |
51715 | 73 | HG2 | 1.299 | 1 |
51821 | 73 | HG2 | 1.301 | 1 |