Average chemical shift: 2.295
Standard deviation: 0.353
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4279 | 55 | HG3 | 6.79 | 1 |
4336 | 32 | HG3 | 3.66 | 1 |
4373 | 72 | HG3 | 3.60 | 2 |
5625 | 16 | HG3 | 5.50 | 2 |
6147 | 93 | HG3 | 3.414 | 1 |
6799 | 15 | HG3 | 3.49 | 2 |
7156 | 6 | HG3 | 6.75 | |
7158 | 16 | HG3 | 34.946 | 2 |
16307 | 42 | HG3 | 3.39 | 2 |
16748 | 43 | HG3 | 3.690 | 2 |
19626 | 32 | HG3 | 003.899 | 2 |
19854 | 84 | HG3 | 3.941 | 2 |
19904 | 43 | HG3 | 6.682 | 2 |
19904 | 48 | HG3 | 6.703 | 2 |
19904 | 62 | HG3 | 6.718 | 2 |
25001 | 31 | HG3 | 4.44 | |
25477 | 21 | HG3 | 4.373 | 2 |
25679 | 34 | HG3 | 7.395 | |
25789 | 37 | HG3 | 3.377 | 2 |
25982 | 22 | HG3 | 3.366 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
80 | 46 | HG3 | .78 | 2 |
374 | 49 | HG3 | .71 | 2 |
375 | 49 | HG3 | .26 | 2 |
2219 | 41 | HG3 | .26 | 2 |
2999 | 41 | HG3 | .05 | 2 |
4039 | 7 | HG3 | 0.66 | 1 |
4041 | 7 | HG3 | 0.67 | 1 |
4049 | 77 | HG3 | 1.14 | 2 |
4057 | 7 | HG3 | 1.02 | 1 |
4058 | 7 | HG3 | 1.06 | 1 |
4148 | 9 | HG3 | 0.912 | 1 |
4161 | 14 | HG3 | 1.10 | 2 |
4206 | 89 | HG3 | 1.0400 | 2 |
4229 | 31 | HG3 | 0.52 | 2 |
4229 | 31 | HG3 | 0.55 | 2 |
4231 | 31 | HG3 | 0.52 | |
4231 | 31 | HG3 | 0.55 | |
4259 | 47 | HG3 | 0.84 | 1 |
4264 | 71 | HG3 | 1.08 | 2 |
4297 | 53 | HG3 | 1.01 | 1 |
4301 | 96 | HG3 | 0.91 | 2 |
4307 | 83 | HG3 | 1.16 | 1 |
4313 | 27 | HG3 | 1.17 | 2 |
4342 | 60 | HG3 | 0.93 | 2 |
4379 | 54 | HG3 | 1.13 | 2 |
4380 | 25 | HG3 | -1.082 | 2 |
4402 | 152 | HG3 | 1.14 | 2 |
4434 | 85 | HG3 | 1.12 | 2 |
4436 | 40 | HG3 | 0.82 | 2 |
4436 | 45 | HG3 | 0.27 | 2 |
4563 | 54 | HG3 | 1.11 | 2 |
4564 | 183 | HG3 | 1.10 | 2 |
4620 | 54 | HG3 | 1.20 | 2 |
4736 | 54 | HG3 | 1.03 | 2 |
4781 | 45 | HG3 | 1.124 | 1 |
4821 | 136 | HG3 | 0.863 | 1 |
4860 | 98 | HG3 | 0.80 | 2 |
4918 | 11 | HG3 | 1.12 | 2 |
4938 | 60 | HG3 | 0.94 | 2 |
4981 | 17 | HG3 | 1.17 | 2 |
5031 | 32 | HG3 | 0.91 | 2 |
5078 | 34 | HG3 | 1.09 | 2 |
5086 | 62 | HG3 | 1.12 | 2 |
5088 | 63 | HG3 | 1.09 | 2 |
5105 | 20 | HG3 | 0.10 | 2 |
5121 | 53 | HG3 | 0.990 | 1 |
5122 | 52 | HG3 | 0.989 | 1 |
5130 | 117 | HG3 | 0.698 | |
5142 | 117 | HG3 | 0.586 | |
5145 | 63 | HG3 | 1.22 | 2 |
5203 | 15 | HG3 | 0.858 | 2 |
5211 | 58 | HG3 | 0.691 | |
5223 | 36 | HG3 | 0.840 | |
5224 | 90 | HG3 | 0.86 | 2 |
5232 | 117 | HG3 | 1.21 | 1 |
5280 | 62 | HG3 | 0.05 | 2 |
5284 | 42 | HG3 | 0.97 | 2 |
5364 | 17 | HG3 | 0.92 | 2 |
5401 | 60 | HG3 | 0.74 | 2 |
5467 | 59 | HG3 | 1.139 | 2 |
5512 | 42 | HG3 | 0.984 | 2 |
5558 | 47 | HG3 | 0.475 | 1 |
5596 | 62 | HG3 | 1.058 | 2 |
5713 | 54 | HG3 | 1.15 | 2 |
5792 | 57 | HG3 | 1.13 | 2 |
5794 | 36 | HG3 | 1.024 | 2 |
5820 | 12 | HG3 | 0.914 | |
5820 | 43 | HG3 | 1.229 | |
5862 | 11 | HG3 | 1.1600 | 1 |
5880 | 81 | HG3 | 0.185 | 1 |
5897 | 147 | HG3 | 0.5820 | 2 |
5964 | 26 | HG3 | 1.02 | 1 |
5973 | 39 | HG3 | 1.061 | |
6001 | 11 | HG3 | 1.19 | 2 |
6026 | 93 | HG3 | 1.23 | 1 |
6058 | 48 | HG3 | 1.03 | 1 |
6121 | 170 | HG3 | 1.21 | 2 |
6159 | 124 | HG3 | 1.070 | 2 |
6165 | 44 | HG3 | 1.21 | 2 |
6295 | 139 | HG3 | 0.601 | 1 |
6336 | 35 | HG3 | 0.63 | 1 |
6343 | 60 | HG3 | 0.90 | 2 |
6378 | 54 | HG3 | 1.19 | 2 |
6381 | 54 | HG3 | 1.12 | 2 |
6383 | 54 | HG3 | 1.15 | 2 |
6385 | 71 | HG3 | 0.741 | 1 |
6406 | 37 | HG3 | 0.82 | 2 |
6493 | 85 | HG3 | 0.88 | 2 |
6601 | 82 | HG3 | 1.016 | 2 |
6647 | 17 | HG3 | 1.088 | 2 |
6732 | 16 | HG3 | 0.905 | |
6745 | 158 | HG3 | 1.062 | 2 |
6751 | 22 | HG3 | 0.539 | 2 |
6760 | 111 | HG3 | 0.96 | 2 |
6761 | 55 | HG3 | 1.041 | 2 |
6873 | 264 | HG3 | 0.550 | 2 |
6876 | 26 | HG3 | 1.173 | 2 |
6883 | 113 | HG3 | 1.226 | 2 |
6894 | 53 | HG3 | 1.17500 | 2 |
6901 | 33 | HG3 | -0.229 | 2 |
6903 | 84 | HG3 | 1.0973 | 1 |
6904 | 84 | HG3 | 1.100 | 1 |
6910 | 81 | HG3 | 0.64 | 2 |
6928 | 67 | HG3 | 0.519 | 2 |
6933 | 59 | HG3 | 1.234 | 1 |
6938 | 62 | HG3 | -0.240 | 2 |
6966 | 18 | HG3 | 1.20 | 2 |
7058 | 25 | HG3 | 0.54 | 1 |
7061 | 45 | HG3 | 0.7700 | |
7082 | 35 | HG3 | 1.10 | 2 |
7103 | 27 | HG3 | 0.81 | 2 |
7105 | 19 | HG3 | 0.929 | 2 |
7118 | 23 | HG3 | 0.954 | |
7160 | 57 | HG3 | 0.82 | |
7179 | 74 | HG3 | 0.88 | 2 |
7206 | 15 | HG3 | 0.582 | 1 |
7207 | 41 | HG3 | 0.869 | 1 |
7301 | 30 | HG3 | 0.980 | 2 |
7310 | 63 | HG3 | 1.042 | 2 |
7326 | 47 | HG3 | 0.959 | |
7382 | 21 | HG3 | 1.090 | |
7414 | 172 | HG3 | 0.823 | 2 |
10006 | 48 | HG3 | 1.161 | 1 |
10063 | 44 | HG3 | 0.659 | 2 |
10065 | 43 | HG3 | 0.528 | 2 |
10076 | 105 | HG3 | 0.351 | 2 |
10084 | 14 | HG3 | 1.221 | 2 |
10085 | 63 | HG3 | 0.914 | 2 |
10087 | 53 | HG3 | 1.061 | 2 |
10097 | 27 | HG3 | 0.430 | 2 |
10115 | 41 | HG3 | 0.617 | 2 |
10120 | 117 | HG3 | 0.943 | 2 |
10122 | 40 | HG3 | -0.063 | 2 |
10125 | 50 | HG3 | 0.928 | 2 |
10193 | 54 | HG3 | 1.233 | 2 |
10236 | 127 | HG3 | 0.914 | 2 |
10237 | 127 | HG3 | 0.912 | 2 |
10238 | 173 | HG3 | 1.078 | 2 |
10239 | 182 | HG3 | 1.074 | 2 |
10247 | 59 | HG3 | 1.013 | 2 |
10249 | 27 | HG3 | 0.614 | 2 |
10251 | 27 | HG3 | 0.735 | 2 |
10270 | 86 | HG3 | 0.984 | 1 |
10278 | 17 | HG3 | 0.575 | 2 |
10279 | 21 | HG3 | 0.673 | 2 |
10282 | 30 | HG3 | 0.914 | 2 |
10316 | 98 | HG3 | 1.095 | 2 |
10317 | 30 | HG3 | 0.448 | 2 |
11078 | 34 | HG3 | 0.824 | 2 |
11085 | 19 | HG3 | 1.117 | 2 |
11087 | 46 | HG3 | 0.968 | 2 |
11089 | 31 | HG3 | 0.830 | 2 |
11115 | 20 | HG3 | 0.616 | 2 |
11143 | 21 | HG3 | 1.190 | 2 |
11152 | 93 | HG3 | 0.556 | 2 |
11247 | 68 | HG3 | -0.549 | 2 |
11265 | 45 | HG3 | 1.011 | 2 |
11274 | 18 | HG3 | 0.373 | 2 |
11329 | 92 | HG3 | 0.955 | 2 |
11337 | 97 | HG3 | 0.585 | 2 |
11345 | 85 | HG3 | -0.249 | 2 |
11351 | 104 | HG3 | 1.154 | 2 |
11362 | 20 | HG3 | 0.605 | 2 |
11376 | 86 | HG3 | 0.351 | 2 |
11398 | 79 | HG3 | 1.168 | 2 |
11469 | 26 | HG3 | 0.544 | 2 |
11525 | 82 | HG3 | 0.703 | 1 |
11549 | 55 | HG3 | 0.434 | 1 |
11549 | 9 | HG3 | 0.953 | 1 |
11578 | 19 | HG3 | 1.1520 | 2 |
11578 | 68 | HG3 | 1.1880 | 2 |
11583 | 4 | HG3 | 0.856 | 2 |
11594 | 19 | HG3 | 1.1670 | 2 |
11594 | 68 | HG3 | 1.0200 | 2 |
15063 | 56 | HG3 | 1.160 | 2 |
15084 | 42 | HG3 | 0.980 | 2 |
15089 | 100 | HG3 | 0.97 | 2 |
15109 | 56 | HG3 | 0.351 | 2 |
15126 | 22 | HG3 | 0.367 | 2 |
15246 | 93 | HG3 | -0.214 | 2 |
15313 | 165 | HG3 | 1.167 | 2 |
15320 | 41 | HG3 | 0.77 | 2 |
15356 | 37 | HG3 | 1.011 | 2 |
15509 | 56 | HG3 | 1.03 | 2 |
15574 | 32 | HG3 | 0.096 | 2 |
15578 | 344 | HG3 | 0.826 | 2 |
15585 | 61 | HG3 | 1.090 | 2 |
15595 | 125 | HG3 | 0.238 | 2 |
15627 | 40 | HG3 | 1.042 | 2 |
15642 | 72 | HG3 | 0.52 | 2 |
15707 | 14 | HG3 | 1.23 | 2 |
15740 | 91 | HG3 | 0.965 | 1 |
15757 | 15 | HG3 | 0.94 | 2 |
15757 | 5 | HG3 | 1.19 | 2 |
15778 | 28 | HG3 | 0.956 | 2 |
15807 | 96 | HG3 | 0.495 | 2 |
15821 | 55 | HG3 | 0.992 | 2 |
15824 | 54 | HG3 | 1.165 | 2 |
15845 | 54 | HG3 | 1.038 | 2 |
15846 | 14 | HG3 | 1.20 | 2 |
15873 | 57 | HG3 | 0.964 | 2 |
15874 | 57 | HG3 | 0.964 | 2 |
15956 | 82 | HG3 | 0.81 | 2 |
15988 | 84 | HG3 | 0.823 | 2 |
16061 | 124 | HG3 | 1.151 | 2 |
16062 | 47 | HG3 | 0.908 | 2 |
16115 | 74 | HG3 | 0.960 | 2 |
16155 | 67 | HG3 | 1.05 | 2 |
16163 | 60 | HG3 | 1.131 | 1 |
16163 | 99 | HG3 | 0.407 | 1 |
16169 | 13 | HG3 | 0.943 | 2 |
16170 | 13 | HG3 | 0.992 | 2 |
16183 | 54 | HG3 | 1.050 | 2 |
16184 | 54 | HG3 | 1.107 | 2 |
16193 | 56 | HG3 | 0.914 | 2 |
16210 | 20 | HG3 | 0.500 | 2 |
16310 | 42 | HG3 | 1.067 | 1 |
16355 | 44 | HG3 | 0.312 | 2 |
16424 | 33 | HG3 | 1.149 | 2 |
16425 | 70 | HG3 | 1.214 | 2 |
16463 | 95 | HG3 | 0.903 | 2 |
16507 | 63 | HG3 | 1.117 | 2 |
16545 | 17 | HG3 | 0.900 | 2 |
16720 | 54 | HG3 | 0.956 | 2 |
16723 | 53 | HG3 | 1.085 | 2 |
16790 | 57 | HG3 | 0.608 | 2 |
16983 | 26 | HG3 | 0.617 | 2 |
17018 | 42 | HG3 | 1.102 | 2 |
17019 | 42 | HG3 | 1.077 | 2 |
17025 | 27 | HG3 | 0.455 | 2 |
17029 | 69 | HG3 | 0.867 | 2 |
17082 | 99 | HG3 | 0.834 | 2 |
17104 | 7 | HG3 | 1.149 | 2 |
17157 | 82 | HG3 | 1.183 | 2 |
17160 | 26 | HG3 | 1.04 | 2 |
17174 | 54 | HG3 | 1.216 | 2 |
17191 | 32 | HG3 | 0.522 | 2 |
17272 | 31 | HG3 | 0.245 | 2 |
17272 | 84 | HG3 | 1.024 | 2 |
17273 | 31 | HG3 | 0.225 | 2 |
17273 | 84 | HG3 | 1.024 | 2 |
17274 | 71 | HG3 | 1.046 | 2 |
17381 | 70 | HG3 | 1.226 | 2 |
17490 | 88 | HG3 | 0.815 | 2 |
17502 | 89 | HG3 | 1.147 | 2 |
17510 | 108 | HG3 | 1.043 | 2 |
17576 | 121 | HG3 | 1.180 | 2 |
17582 | 121 | HG3 | 1.177 | 2 |
17585 | 96 | HG3 | 1.182 | 2 |
17594 | 23 | HG3 | 1.212 | 2 |
17595 | 104 | HG3 | 1.158 | 2 |
17622 | 28 | HG3 | 0.599 | 2 |
17622 | 76 | HG3 | 1.153 | 2 |
17623 | 28 | HG3 | 0.603 | 2 |
17623 | 76 | HG3 | 1.138 | 2 |
17632 | 102 | HG3 | 1.226 | 2 |
17711 | 12 | HG3 | 0.6082 | 2 |
17754 | 37 | HG3 | 1.02 | 2 |
17812 | 33 | HG3 | 1.212 | 2 |
17965 | 40 | HG3 | 1.023 | 2 |
18004 | 40 | HG3 | 0.773 | 2 |
18047 | 36 | HG3 | 1.018 | 2 |
18053 | 101 | HG3 | -0.406 | 2 |
18087 | 48 | HG3 | 1.149 | 2 |
18122 | 32 | HG3 | 0.666 | 2 |
18122 | 99 | HG3 | 1.049 | 2 |
18134 | 43 | HG3 | 0.92 | 2 |
18181 | 79 | HG3 | 0.91 | |
18186 | 57 | HG3 | -0.049 | 2 |
18211 | 7 | HG3 | 0.325 | 2 |
18379 | 71 | HG3 | 1.046 | 1 |
18399 | 53 | HG3 | 1.177 | 2 |
18404 | 105 | HG3 | 0.99 | 1 |
18415 | 11 | HG3 | 0.845 | 2 |
18426 | 83 | HG3 | 1.153 | 1 |
18480 | 67 | HG3 | 0.847 | 2 |
18592 | 28 | HG3 | 1.016 | 2 |
18596 | 14 | HG3 | 0.58 | 2 |
18596 | 4 | HG3 | 0.92 | 2 |
18613 | 160 | HG3 | 1.216 | 2 |
18853 | 47 | HG3 | 0.797 | 2 |
18908 | 67 | HG3 | 1.024 | 2 |
18916 | 88 | HG3 | 0.479 | 2 |
19043 | 10 | HG3 | -0.132 | 2 |
19047 | 20 | HG3 | 0.921 | 1 |
19047 | 20 | HG3 | 0.937 | 1 |
19048 | 20 | HG3 | 0.943 | 1 |
19048 | 20 | HG3 | 0.944 | 1 |
19101 | 22 | HG3 | 1.1366 | 2 |
19203 | 30 | HG3 | 0.904 | 2 |
19248 | 30 | HG3 | -1.395 | |
19287 | 25 | HG3 | 1.145 | 2 |
19354 | 70 | HG3 | 1.028 | 2 |
19413 | 139 | HG3 | 1.143 | 2 |
19417 | 74 | HG3 | 1.218 | 2 |
19423 | 101 | HG3 | 1.229 | 2 |
19462 | 93 | HG3 | 1.044 | 2 |
19463 | 93 | HG3 | 0.945 | 2 |
19508 | 41 | HG3 | 1.128 | 2 |
19654 | 140 | HG3 | -0.049 | |
19654 | 20 | HG3 | 1.121 | |
19749 | 55 | HG3 | 1.14 | 2 |
19807 | 21 | HG3 | 1.077 | 2 |
19826 | 71 | HG3 | 1.196 | 2 |
19842 | 187 | HG3 | 1.161 | 2 |
19843 | 42 | HG3 | 0.863 | |
19846 | 4 | HG3 | 0.445102 | |
19910 | 120 | HG3 | 1.210 | 1 |
19921 | 53 | HG3 | 0.97 | 1 |
19942 | 24 | HG3 | 0.751 | |
25109 | 65 | HG3 | 0.681 | 2 |
25117 | 138 | HG3 | 1.012 | 1 |
25117 | 138 | HG3 | 1.016 | 1 |
25210 | 91 | HG3 | 0.816 | 2 |
25250 | 95 | HG3 | 1.13 | 2 |
25251 | 95 | HG3 | 1.05 | 2 |
25306 | 76 | HG3 | 0.995 | 2 |
25306 | 9 | HG3 | 1.053 | 2 |
25324 | 75 | HG3 | 0.995 | 2 |
25324 | 8 | HG3 | 1.053 | 2 |
25331 | 7 | HG3 | 1.012 | 1 |
25332 | 7 | HG3 | 0.996 | 1 |
25401 | 69 | HG3 | 1.101 | |
25424 | 23 | HG3 | 0.845 | 2 |
25461 | 44 | HG3 | 0.756 | 2 |
25498 | 16 | HG3 | 0.865 | 2 |
25839 | 27 | HG3 | 0.243 | 2 |
25914 | 61 | HG3 | 1.014 | 2 |
26016 | 68 | HG3 | 0.801 | 2 |
26048 | 164 | HG3 | 0.427 | 2 |
26553 | 20 | HG3 | 0.868 | 2 |
26780 | 145 | HG3 | 0.942 | 2 |
27259 | 83 | HG3 | 1.210 | 2 |
27264 | 83 | HG3 | 1.214 | 2 |
27313 | 137 | HG3 | 1.162 | 2 |
27477 | 13 | HG3 | 0.3060 | 2 |
27536 | 37 | HG3 | 0.39 | 2 |
28132 | 10 | HG3 | 0.890 | |
30177 | 26 | HG3 | 0.3690 | 2 |
30197 | 34 | HG3 | 0.8000 | 2 |
30298 | 87 | HG3 | 0.390 | 1 |
30300 | 100 | HG3 | 1.115 | 2 |
30445 | 69 | HG3 | 1.101 | 2 |
30477 | 51 | HG3 | 0.845 | |
30478 | 51 | HG3 | 0.826 | |
30543 | 69 | HG3 | 1.048 | 2 |
30590 | 27 | HG3 | 1.191 | 2 |
30610 | 140 | HG3 | -0.049 | |
30610 | 20 | HG3 | 1.121 | |
30793 | 17 | HG3 | 0.73 | 2 |
30793 | 22 | HG3 | 1.232 | 2 |
30793 | 4 | HG3 | 1.143 | 2 |
30858 | 2 | HG3 | 0.000 | |
34041 | 32 | HG3 | 1.22 | 1 |
34121 | 207 | HG3 | 1.198 | 2 |
34139 | 66 | HG3 | 1.076 | |
34218 | 145 | HG3 | 1.224 | 2 |
34219 | 145 | HG3 | 1.210 | 2 |
34220 | 39 | HG3 | 0.988 | 2 |
34227 | 59 | HG3 | 0.588 | 2 |
34229 | 59 | HG3 | 0.588 | 2 |
34236 | 82 | HG3 | 1.129 | 2 |
34247 | 143 | HG3 | 0.908 | 2 |
34248 | 143 | HG3 | 0.894 | 2 |
34341 | 33 | HG3 | 1.040 | 2 |
34379 | 71 | HG3 | 1.117 | 2 |
34517 | 104 | HG3 | 1.103 | 1 |
34572 | 32 | HG3 | 0.681 | 2 |
34573 | 32 | HG3 | 0.768 | 2 |
34640 | 68 | HG3 | 1.182 | |
34675 | 65 | HG3 | 0.563 | 2 |
34727 | 24 | HG3 | 0.785 | |
34728 | 24 | HG3 | 0.653 | 2 |
34746 | 6 | HG3 | 0.656 | 2 |
36012 | 55 | HG3 | 1.177 | 2 |
36013 | 19 | HG3 | 1.1520 | 2 |
36084 | 20 | HG3 | 1.115 | 2 |
36084 | 82 | HG3 | 0.432 | 2 |
36288 | 114 | HG3 | 1.186 | 1 |
36385 | 114 | HG3 | 1.186 | 1 |
36431 | 90 | HG3 | 1.125 | 2 |
50218 | 55 | HG3 | 0.224 | |
50338 | 97 | HG3 | 0.44 | 2 |
50544 | 83 | HG3 | 1.114 | |
51122 | 41 | HG3 | 0.555 | |
51288 | 38 | HG3 | 1.07 | 2 |
51379 | 127 | HG3 | 0.768 | 2 |
51631 | 95 | HG3 | 1.057 | 2 |
51713 | 99 | HG3 | 1.149 | 2 |