Average chemical shift: 8.266
Standard deviation: 0.674
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
247 | 62 | H | 10.35 | 1 |
325 | 62 | H | 10.32 | 1 |
326 | 62 | H | 10.33 | 1 |
349 | 40 | H | 10.4 | 1 |
376 | 66 | H | 10.88 | 1 |
390 | 64 | H | 10.38 | 1 |
758 | 55 | H | 10.35 | 1 |
940 | 62 | H | 10.33 | 1 |
968 | 55 | H | 10.41 | 1 |
969 | 55 | H | 10.43 | 1 |
970 | 55 | H | 10.3 | 1 |
1333 | 55 | H | 10.45 | 1 |
1379 | 66 | H | 10.79 | 1 |
1673 | 13 | H | 10.79 | 1 |
2261 | 35 | H | 10.4 | 1 |
2968 | 55 | H | 10.46 | 1 |
4236 | 87 | H | 10.62 | 1 |
4318 | 164 | H | 10.98 | 1 |
4329 | 71 | H | 10.63 | 1 |
4343 | 191 | H | 10.54 | 1 |
4354 | 261 | H | 11.034 | 1 |
4377 | 36 | H | 10.79 | 1 |
4437 | 8 | H | 10.42 | 1 |
4578 | 55 | H | 10.50 | 1 |
4744 | 4 | H | 10.333 | |
4821 | 76 | H | 10.342 | 1 |
4960 | 55 | H | 10.38 | 1 |
4986 | 261 | H | 10.380 | 1 |
4987 | 261 | H | 10.980 | 1 |
5086 | 53 | H | 10.39 | 1 |
5088 | 54 | H | 10.40 | 1 |
5224 | 86 | H | 10.95 | 1 |
5279 | 4 | H | 10.42 | |
5355 | 147 | H | 10.459 | 1 |
5595 | 52 | H | 10.46 | 1 |
5684 | 9 | H | 10.33 | 1 |
5819 | 80 | H | 11.63 | 1 |
5897 | 28 | H | 10.9500 | 1 |
6022 | 42 | H | 10.41 | 1 |
6024 | 19 | H | 10.588 | 1 |
6033 | 53 | H | 10.320 | 1 |
6142 | 20 | H | 10.3 | 1 |
6184 | 58 | H | 10.658 | 1 |
6357 | 19 | H | 10.663 | 1 |
6391 | 137 | H | 11.48 | 1 |
6392 | 62 | H | 11.34 | 1 |
6393 | 62 | H | 11.15 | 1 |
6444 | 131 | H | 11.467 | |
6572 | 37 | H | 10.56 | 1 |
6646 | 50 | H | 10.37 | 1 |
6711 | 116 | H | 10.35 | 1 |
6807 | 261 | H | 11.049 | 1 |
6811 | 36 | H | 10.36 | |
6895 | 101 | H | 11.389 | 1 |
6910 | 15 | H | 11.66 | 1 |
6965 | 80 | H | 11.81 | 1 |
7000 | 46 | H | 11.54 | 1 |
7003 | 136 | H | 10.349 | 1 |
7010 | 8 | H | 10.307 | 1 |
7014 | 100 | H | 10.415 | 1 |
7059 | 163 | H | 10.892 | 1 |
7089 | 136 | H | 11.380 | 1 |
7114 | 261 | H | 10.96 | 1 |
7236 | 19 | H | 10.695 | 1 |
7237 | 19 | H | 10.665 | 1 |
7238 | 19 | H | 10.661 | 1 |
7239 | 19 | H | 10.663 | 1 |
7296 | 55 | H | 10.573 | 1 |
7375 | 406 | H | 10.331 | 1 |
7428 | 69 | H | 10.75 | 1 |
10120 | 113 | H | 10.955 | 1 |
10133 | 55 | H | 10.457 | 1 |
10135 | 53 | H | 10.379 | 1 |
10264 | 65 | H | 11.467 | 1 |
11041 | 90 | H | 10.612 | 1 |
11351 | 14 | H | 11.427 | 1 |
11601 | 83 | H | 10.502 | 1 |
15128 | 8 | H | 10.715 | 1 |
15164 | 406 | H | 10.318 | 1 |
15327 | 75 | H | 11.39 | 1 |
15375 | 41 | H | 15.050 | 1 |
15375 | 5 | H | 10.621 | 1 |
15375 | 8 | H | 14.710 | 1 |
15452 | 44 | H | 10.93 | 1 |
15485 | 97 | H | 11.072 | |
15578 | 131 | H | 11.387 | 1 |
15969 | 13 | H | 10.407 | 1 |
16063 | 102 | H | 11.1200 | 1 |
16133 | 122 | H | 12.585 | 1 |
16193 | 81 | H | 10.640 | 1 |
16210 | 19 | H | 10.592 | 1 |
16245 | 29 | H | 10.462 | 1 |
16317 | 110 | H | 10.389 | 1 |
16340 | 62 | H | 10.335000 | 1 |
16404 | 116 | H | 10.38 | 1 |
16443 | 37 | H | 10.473 | 1 |
16447 | 198 | H | 10.980 | 1 |
16578 | 27 | H | 10.336 | 1 |
16598 | 19 | H | 10.560 | 1 |
16708 | 183 | H | 11.03 | 1 |
16849 | 41 | H | 15.050 | 1 |
16849 | 5 | H | 10.621 | 1 |
16849 | 8 | H | 14.710 | 1 |
17277 | 98 | H | 10.630 | 1 |
17405 | 45 | H | 10.599 | 1 |
17416 | 242 | H | 10.360 | 1 |
18053 | 97 | H | 10.724 | 1 |
18081 | 70 | H | 10.855 | 1 |
18081 | 70 | H | 11.274 | 1 |
18185 | 62 | H | 11.3000 | 1 |
18285 | 105 | H | 10.654 | 1 |
18439 | 107 | H | 11.7000 | 1 |
18588 | 31 | H | 12.04 | 1 |
18741 | 309 | H | 11.554 | 1 |
18876 | 91 | H | 10.537 | 1 |
19047 | 165 | H | 10.410 | 1 |
19047 | 165 | H | 10.418 | 1 |
19048 | 165 | H | 10.421 | 1 |
19048 | 165 | H | 10.434 | 1 |
19098 | 76 | H | 11.285 | 1 |
19560 | 136 | H | 10.35 | 1 |
19726 | 52 | H | 10.519 | 1 |
19736 | 92 | H | 10.578 | 1 |
19737 | 200 | H | 10.635 | 1 |
19738 | 107 | H | 11.7200 | 1 |
25237 | 261 | H | 11.174 | 1 |
25389 | 53 | H | 10.38 | 1 |
25390 | 53 | H | 10.32 | 1 |
25462 | 49 | H | 10.368 | 1 |
25463 | 49 | H | 10.334 | 1 |
25477 | 13 | H | 10.729 | 1 |
25485 | 211 | H | 11.592 | 1 |
25488 | 212 | H | 11.554 | 1 |
25489 | 212 | H | 11.556 | 1 |
25663 | 62 | H | 11.229 | |
25827 | 40 | H | 10.339 | 1 |
25831 | 84 | H | 11.519 | 1 |
25859 | 136 | H | 11.380 | 1 |
26534 | 48 | H | 10.520 | 1 |
26586 | 19 | H | 10.5966 | 1 |
26590 | 19 | H | 10.5011 | 1 |
26752 | 12 | H | 10.367 | 1 |
26761 | 139 | H | 10.436 | |
26857 | 152 | H | 10.345 | 1 |
26932 | 67 | H | 11.11 | 1 |
27146 | 89 | H | 10.419 | 1 |
27612 | 34 | H | 10.811 | 1 |
27676 | 84 | H | 11.11 | 1 |
27678 | 84 | H | 11.09 | 1 |
27679 | 84 | H | 11.09 | 1 |
27680 | 84 | H | 11.13 | 1 |
27776 | 31 | H | 10.85 | 1 |
27784 | 252 | H | 11.6396 | 1 |
27845 | 13 | H | 11.070 | 1 |
27858 | 136 | H | 10.383 | 1 |
27987 | 13 | H | 10.712 | 1 |
28101 | 28 | H | 11.567 | |
28122 | 13 | H | 11.033 | 1 |
30375 | 180 | H | 11.387 | |
30523 | 48 | H | 10.520 | 1 |
34101 | 93 | H | 10.923 | 1 |
34555 | 77 | H | 10.875 | |
34556 | 112 | H | 10.946 | |
34675 | 123 | H | 10.598 | 1 |
34691 | 77 | H | 10.778 | |
34692 | 77 | H | 10.811 | |
34748 | 113 | H | 10.384 | 1 |
34758 | 180 | H | 10.52 | 1 |
34759 | 180 | H | 10.52 | 1 |
50089 | 262 | H | 11.156 | 1 |
50091 | 126 | H | 11.917 | 1 |
50269 | 107 | H | 10.63 | 1 |
50620 | 113 | H | 10.386 | 1 |
50786 | 150 | H | 10.52 | 1 |
50915 | 111 | H | 10.348 | 1 |
50915 | 111 | H | 10.350 | 1 |
51166 | 133 | H | 10.750 | 1 |
51180 | 84 | H | 10.78 | |
51180 | 84 | H | 11.11 | |
51180 | 84 | H | 11.12 | |
51181 | 84 | H | 11.06 | |
51181 | 84 | H | 11.1 | |
51181 | 84 | H | 11.11 | |
51294 | 13 | H | 10.559 | 1 |
51399 | 29 | H | 10.623 | 1 |
51417 | 99 | H | 11.419 | 1 |
51418 | 396 | H | 11.426 | 1 |
51543 | 47 | H | 10.378 | 1 |
51544 | 47 | H | 10.341 | 1 |
51832 | 81 | H | 11.028 | 1 |
52238 | 78 | H | 10.4448449 | |
52584 | 116 | H | 10.82 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
260 | 39 | H | 6.18 | 1 |
280 | 58 | H | 5.8 | 1 |
1551 | 98 | H | 4.88 | 1 |
1991 | 37 | H | 6.11 | 1 |
2278 | 98 | H | 4.88 | 1 |
4022 | 31 | H | 6.13 | 1 |
4040 | 27 | H | 6.20 | 1 |
4076 | 183 | H | 3.98 | 1 |
4149 | 98 | H | 5.12 | 1 |
4154 | 98 | H | 4.88 | 1 |
4177 | 60 | H | 5.70 | 1 |
4184 | 4 | H | 4.98 | 1 |
4367 | 206 | H | 3.98 | 1 |
4397 | 59 | H | 6.18 | 1 |
4436 | 72 | H | 6.16 | 1 |
4590 | 56 | H | 5.56 | 1 |
4686 | 59 | H | 6.11 | 1 |
4703 | 56 | H | 6.00 | 1 |
4778 | 39 | H | 5.71 | 1 |
4852 | 62 | H | 5.99 | 1 |
4914 | 59 | H | 6.06 | 1 |
4953 | 95 | H | 5.387 | 1 |
5042 | 56 | H | 5.91 | 1 |
5047 | 44 | H | 5.776 | 1 |
5073 | 59 | H | 5.688 | |
5232 | 121 | H | 5.52 | 1 |
5255 | 59 | H | 5.810 | |
5393 | 102 | H | 5.549 | 1 |
5467 | 60 | H | 6.215 | 1 |
5514 | 55 | H | 6.21 | 1 |
5516 | 119 | H | 5.99 | 1 |
5601 | 37 | H | 6.17 | 1 |
5601 | 38 | H | 6.17 | 1 |
5658 | 45 | H | 6.03 | 1 |
5787 | 17 | H | 6.052 | 1 |
5864 | 7 | H | -0.41 | |
5876 | 74 | H | 5.492 | 1 |
5886 | 142 | H | 6.22 | 1 |
6055 | 146 | H | 6.24 | 1 |
6189 | 76 | H | 5.652 | 1 |
6231 | 41 | H | 4.72 | 1 |
6249 | 110 | H | 5.740 | 1 |
6249 | 117 | H | 5.810 | 1 |
6249 | 150 | H | 6.170 | 1 |
6249 | 238 | H | 4.470 | 1 |
6249 | 251 | H | 6.020 | 1 |
6249 | 39 | H | 6.180 | 1 |
6249 | 62 | H | 5.090 | 1 |
6249 | 96 | H | 6.110 | 1 |
6249 | 97 | H | 5.290 | 1 |
6298 | 4 | H | 5.621 | |
6365 | 43 | H | 5.59 | 1 |
6391 | 145 | H | 5.78 | 1 |
6418 | 190 | H | 6.015 | 1 |
6444 | 139 | H | 5.753 | |
6475 | 64 | H | 5.221 | 1 |
6505 | 11 | H | 6.202 | 1 |
6518 | 27 | H | 6.10 | 1 |
6603 | 21 | H | 4.900 | 1 |
6686 | 56 | H | 6.23 | |
6748 | 43 | H | 5.7190 | |
6829 | 69 | H | 5.592 | 1 |
6832 | 188 | H | 6.16 | 1 |
6847 | 21 | H | 4.897 | 1 |
6935 | 188 | H | 6.13 | 1 |
7016 | 16 | H | 0.02 | |
7016 | 33 | H | 0.02 | |
7016 | 46 | H | 0.02 | |
7016 | 61 | H | 0.02 | |
7016 | 67 | H | 0.02 | |
7024 | 59 | H | 5.5950 | |
7053 | 23 | H | 5.91 | 1 |
7089 | 144 | H | 5.870 | 1 |
7297 | 83 | H | 5.611 | 1 |
10093 | 17 | H | 5.353 | 1 |
10300 | 87 | H | 5.951 | 1 |
11001 | 126 | H | 6.13 | 1 |
11160 | 31 | H | 5.453 | 1 |
11531 | 47 | H | 5.33 | |
11609 | 53 | H | 6.208 | 1 |
15110 | 55 | H | 5.832 | 1 |
15243 | 73 | H | 6.07 | 1 |
15335 | 110 | H | 5.985 | 1 |
15554 | 9 | H | 5.029 | 1 |
15578 | 139 | H | 5.727 | 1 |
15594 | 68 | H | 5.76 | 1 |
15596 | 56 | H | 5.743 | 1 |
15606 | 53 | H | 6.222 | 1 |
15740 | 11 | H | 6.222 | 1 |
15837 | 7 | H | 5.75 | 1 |
15893 | 135 | H | 5.712 | 1 |
15935 | 28 | H | 6.167 | 1 |
16063 | 137 | H | 6.0400 | 1 |
16179 | 12 | H | 5.020 | 1 |
16180 | 12 | H | 5.020 | 1 |
16181 | 12 | H | 5.000 | 1 |
16216 | 8 | H | 5.28 | 1 |
16266 | 44 | H | 6.154 | 1 |
16372 | 28 | H | 5.873 | 1 |
16447 | 68 | H | 5.340 | 1 |
16538 | 51 | H | 6.232 | 1 |
16542 | 51 | H | 6.225 | 1 |
16567 | 58 | H | 6.125 | 1 |
16600 | 58 | H | 6.17 | 1 |
16671 | 12 | H | 5.030 | 1 |
16674 | 68 | H | 6.227 | 1 |
16675 | 39 | H | 5.771 | 1 |
16692 | 64 | H | 5.937 | 1 |
16695 | 155 | H | 6.149 | 1 |
16803 | 58 | H | 5.650 | 1 |
16833 | 71 | H | 6.101 | 1 |
17245 | 60 | H | 6.025 | 1 |
17399 | 6 | H | 5.400 | 1 |
17415 | 395 | H | 6.11 | 1 |
17415 | 43 | H | 6.08 | 1 |
17448 | 31 | H | 6.147 | 1 |
17476 | 47 | H | 5.796 | 1 |
17597 | 15 | H | 6.14 | 1 |
17755 | 41 | H | 4.8150 | 1 |
17820 | 213 | H | 5.987 | 1 |
17960 | 96 | H | 6.137 | 1 |
18245 | 186 | H | 6.221 | 1 |
18246 | 186 | H | 6.189 | 1 |
18375 | 69 | H | 6.04 | 1 |
18477 | 109 | H | 5.881 | 1 |
18601 | 236 | H | 6.099 | 1 |
18609 | 236 | H | 6.021 | 1 |
18667 | 108 | H | 6.231 | 1 |
18758 | 24 | H | 5.910 | 1 |
19028 | 40 | H | 5.893 | 1 |
19051 | 85 | H | 5.248 | 1 |
19069 | 58 | H | 6.04 | 1 |
19082 | 135 | H | 5.8578 | 1 |
19272 | 119 | H | 6.191 | 1 |
19335 | 59 | H | 5.842 | |
19490 | 140 | H | 6.178 | 1 |
19787 | 15 | H | 6.157 | 1 |
19838 | 61 | H | 6.066 | 1 |
19839 | 61 | H | 6.068 | 1 |
19989 | 58 | H | 6.237 | |
25113 | 213 | H | 6.13 | 1 |
25117 | 61 | H | 5.900 | 1 |
25117 | 61 | H | 5.902 | 1 |
25278 | 96 | H | 6.23 | 1 |
25286 | 142 | H | 5.914 | |
25368 | 133 | H | 5.969 | 1 |
25504 | 133 | H | 5.914 | 1 |
25556 | 41 | H | 6.16 | 1 |
25628 | 148 | H | 6.20816 | |
25629 | 148 | H | 6.21974 | |
25639 | 61 | H | 6.14 | 1 |
25727 | 51 | H | 6.060000 | |
25728 | 51 | H | 6.120000 | |
25859 | 144 | H | 5.870 | 1 |
26048 | 145 | H | 5.987 | 1 |
26597 | 146 | H | 5.318 | 1 |
26598 | 146 | H | 5.380 | 1 |
26646 | 166 | H | 6.188 | 1 |
26648 | 26 | H | 6.02 | 1 |
26744 | 85 | H | 6.241 | |
26759 | 105 | H | 5.797 | 1 |
26767 | 122 | H | 5.97837 | |
26768 | 125 | H | 5.9 | 1 |
26901 | 54 | H | 5.384 | 1 |
26972 | 128 | H | 5.760 | 1 |
26983 | 51 | H | 6.083 | 1 |
26991 | 59 | H | 5.677 | 1 |
27080 | 129 | H | 6.158 | 1 |
27091 | 120 | H | 6.042 | |
27133 | 127 | H | 6.191 | 1 |
27133 | 127 | H | 6.217 | 1 |
27249 | 165 | H | 6.114 | |
27284 | 105 | H | 5.711 | |
27312 | 127 | H | 5.787 | 1 |
27346 | 48 | H | 5.959 | 1 |
27411 | 19 | H | 6.14 | 1 |
27588 | 174 | H | 5.945 | 1 |
27589 | 174 | H | 5.893 | 1 |
27590 | 174 | H | 5.964 | 1 |
27631 | 165 | H | 6.222 | |
27632 | 165 | H | 6.143 | |
27682 | 165 | H | 6.191 | |
27791 | 48 | H | 6.219 | 1 |
27791 | 48 | H | 6.220 | 1 |
27791 | 48 | H | 6.221 | 1 |
27791 | 48 | H | 6.224 | 1 |
27791 | 48 | H | 6.225 | 1 |
27844 | 86 | H | 6.001 | |
27859 | 31 | H | 6.14 | |
27985 | 58 | H | 5.738 | 1 |
27986 | 60 | H | 5.513 | 1 |
28058 | 38 | H | 5.905 | 1 |
30042 | 22 | H | 5.164 | 1 |
30080 | 131 | H | 6.188 | 1 |
30081 | 131 | H | 6.188 | 1 |
30082 | 131 | H | 6.188 | 1 |
30083 | 131 | H | 6.188 | 1 |
30084 | 131 | H | 6.188 | 1 |
30085 | 131 | H | 6.188 | 1 |
30086 | 131 | H | 6.188 | 1 |
30133 | 38 | H | 0.715 | 9 |
30275 | 138 | H | 6.225 | 1 |
30316 | 58 | H | 5.861 | 1 |
30322 | 4 | H | 6.021 | 1 |
30777 | 54 | H | 5.918 | |
34005 | 21 | H | 5.205 | 1 |
34123 | 29 | H | 5.058 | |
34180 | 70 | H | 6.068 | 1 |
34185 | 20 | H | 6.13 | 1 |
34201 | 7 | H | 6.000 | 1 |
34232 | 58 | H | 5.710 | 1 |
34361 | 36 | H | 6.056 | 1 |
34424 | 41 | H | 5.860 | 1 |
34717 | 94 | H | 5.227 | 1 |
34912 | 113 | H | 6.141 | 1 |
36342 | 51 | H | 6.117 | 1 |
50010 | 62 | H | 6.183 | 1 |
50011 | 62 | H | 6.071 | 1 |
50156 | 98 | H | 6.135 | 1 |
50158 | 341 | H | 6.092 | |
50158 | 460 | H | 6.138 | |
50207 | 60 | H | 5.691 | 1 |
50208 | 69 | H | 5.700 | 1 |
50269 | 137 | H | 6.01 | 1 |
50269 | 154 | H | 6.04 | 1 |
50270 | 195 | H | 5.791 | 1 |
50310 | 51 | H | 6.193 | 1 |
50331 | 58 | H | 5.521 | 1 |
50780 | 171 | H | 6.199 | 1 |
50808 | 2 | H | 6.169 | |
51022 | 180 | H | 6.215 | 1 |
51101 | 166 | H | 6.235 | 1 |
51233 | 149 | H | 2.58115 | |
51455 | 171 | H | 6.191 | 1 |
51455 | 171 | H | 6.198 | 1 |
51456 | 171 | H | 6.181 | 1 |
51495 | 109 | H | 5.700 | 1 |
51774 | 54 | H | 6.2420 | 1 |
51776 | 52 | H | 6.1820 | 1 |
52193 | 30 | H | 6.0555 | 1 |
52193 | 30 | H | 6.0585 | 1 |
52200 | 30 | H | 6.0609 | 1 |
52200 | 30 | H | 6.0651 | 1 |
52271 | 259 | H | 6.162 | 1 |