Average chemical shift: 39.244
Standard deviation: 2.114
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4150 | 106 | CB | 79.320 | |
4150 | 41 | CB | 82.581 | |
4150 | 45 | CB | 83.595 | |
4150 | 79 | CB | 84.777 | |
4150 | 93 | CB | 79.161 | |
4497 | 59 | CB | 46.06 | |
4553 | 63 | CB | 62.8 | 1 |
4599 | 59 | CB | 46.06 | |
4908 | 82 | CB | 45.99 | 1 |
4992 | 41 | CB | 45.630 | 1 |
5179 | 22 | CB | 89.580 | |
5179 | 23 | CB | 85.180 | |
5179 | 77 | CB | 86.780 | |
5352 | 96 | CB | 46.07 | |
5462 | 215 | CB | 47.3 | 1 |
6003 | 115 | CB | 46.029 | 1 |
6025 | 139 | CB | 57.732 | 1 |
6311 | 147 | CB | 46.2 | 1 |
6321 | 69 | CB | 46.100 | 1 |
6873 | 284 | CB | 46.121 | 1 |
6920 | 55 | CB | 45.73 | 1 |
7220 | 52 | CB | 45.610 | 1 |
7357 | 70 | CB | 46.427 | 1 |
10039 | 81 | CB | 45.700 | 1 |
10249 | 47 | CB | 45.711 | 1 |
11102 | 105 | CB | 46.179 | 1 |
11328 | 30 | CB | 45.963 | 1 |
11333 | 37 | CB | 45.959 | 1 |
11569 | 66 | CB | 46.236 | 1 |
15061 | 153 | CB | 47.223 | 1 |
15090 | 91 | CB | 45.654 | 1 |
15594 | 13 | CB | 175.51 | 1 |
15700 | 38 | CB | 45.647 | 1 |
15945 | 37 | CB | 45.6810 | 1 |
15960 | 90 | CB | 47.11 | |
16009 | 119 | CB | 45.706 | 1 |
16168 | 11 | CB | 70.116 | 1 |
16607 | 89 | CB | 45.800 | 1 |
16641 | 7 | CB | 45.8300 | 1 |
16729 | 164 | CB | 62.257 | 1 |
17510 | 40 | CB | 47.169 | 1 |
17616 | 3 | CB | 46.003 | 1 |
17633 | 187 | CB | 45.770 | 1 |
17678 | 40 | CB | 64.994 | 1 |
17701 | 114 | CB | 49.055 | 1 |
18037 | 114 | CB | 48.923 | 1 |
18122 | 94 | CB | 45.865 | 1 |
18184 | 8 | CB | 46.8 | |
18320 | 152 | CB | 46.572 | 1 |
18613 | 99 | CB | 45.825 | 1 |
18876 | 46 | CB | 46.248 | 1 |
19239 | 173 | CB | 130.377 | 1 |
19458 | 117 | CB | 70.0200 | |
19502 | 72 | CB | 46.853 | 1 |
19613 | 27 | CB | 45.83 | 1 |
19831 | 27 | CB | 46.9 | 1 |
25175 | 25 | CB | 46.060 | 1 |
25382 | 46 | CB | 64.336 | |
25382 | 52 | CB | 70.577 | |
25387 | 72 | CB | 46.155 | 1 |
25442 | 1 | CB | 338.686 | |
25702 | 53 | CB | 45.842 | 1 |
25703 | 53 | CB | 46.407 | 1 |
26586 | 237 | CB | 46.0885 | 1 |
26803 | 50 | CB | 45.606 | |
26815 | 15 | CB | 45.791 | 1 |
26889 | 19 | CB | 50.31 | 1 |
26977 | 46 | CB | 48.557 | 1 |
26979 | 121 | CB | 45.698 | 1 |
26986 | 53 | CB | 46.107 | 1 |
27498 | 43 | CB | 45.681 | |
27858 | 146 | CB | 45.668 | 1 |
30100 | 59 | CB | 46.219 | |
34695 | 120 | CB | 46.502 | |
36077 | 64 | CB | 46.308 | 1 |
36078 | 64 | CB | 46.475 | 1 |
50010 | 73 | CB | 137.868 | 1 |
50022 | 189 | CB | 67.643 | |
50172 | 6 | CB | 46.429 | 1 |
50173 | 6 | CB | 46.469 | 1 |
50174 | 6 | CB | 46.429 | 1 |
50176 | 6 | CB | 46.429 | 1 |
50177 | 6 | CB | 46.429 | 1 |
50361 | 118 | CB | 45.589 | |
51237 | 43 | CB | 45.810 | |
51284 | 26 | CB | 45.662 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4127 | 62 | CB | 32.6 | 1 |
4153 | 18 | CB | 32.90 | 1 |
4431 | 103 | CB | 29.2 | 1 |
4431 | 139 | CB | 31.3 | 1 |
4431 | 8 | CB | 31.4 | 1 |
4497 | 47 | CB | 30.50 | |
4599 | 47 | CB | 30.50 | |
4818 | 45 | CB | 29.80 | 1 |
5247 | 24 | CB | 31.204 | 1 |
5365 | 53 | CB | 30.526 | 1 |
5456 | 154 | CB | 31.8 | 1 |
5468 | 52 | CB | 29.642 | 1 |
5547 | 244 | CB | 32.7 | 1 |
5798 | 61 | CB | 30.10 | 1 |
5935 | 118 | CB | 28.945 | 1 |
6073 | 138 | CB | 32.38 | |
6392 | 12 | CB | 32.54 | 1 |
6393 | 12 | CB | 32.42 | 1 |
6451 | 154 | CB | 32.12 | 1 |
6582 | 92 | CB | 32.83 | 1 |
6586 | 106 | CB | 30.965 | 1 |
6586 | 13 | CB | 30.470 | 1 |
6586 | 32 | CB | 32.028 | 1 |
6586 | 47 | CB | 30.824 | 1 |
6760 | 3 | CB | 30.0 | 1 |
6785 | 38 | CB | 32.774 | 1 |
6903 | 54 | CB | 30.1830 | 1 |
6904 | 54 | CB | 30.610 | 1 |
7020 | 75 | CB | 30.938 | 1 |
7141 | 40 | CB | 32.670 | 1 |
11146 | 59 | CB | 30.628 | 1 |
11175 | 113 | CB | 32.696 | 1 |
11453 | 66 | CB | 31.534 | 1 |
11467 | 84 | CB | 32.083 | 1 |
15008 | 118 | CB | 30.086 | 1 |
15162 | 42 | CB | 28.82 | 1 |
15779 | 42 | CB | 32.145 | 1 |
15783 | 118 | CB | 29.959 | |
15927 | 112 | CB | 32.770 | 1 |
15963 | 75 | CB | 30.11 | 1 |
16115 | 96 | CB | 31.939 | 1 |
16544 | 44 | CB | 27.698 | 1 |
16668 | 66 | CB | 32.770 | 1 |
16701 | 55 | CB | 27.542 | 1 |
16729 | 153 | CB | 30.298 | 1 |
16729 | 252 | CB | 31.598 | 1 |
16729 | 287 | CB | 27.185 | 1 |
16729 | 319 | CB | 29.772 | 1 |
16806 | 114 | CB | 31.986 | 1 |
17085 | 23 | CB | 30.965 | 1 |
17087 | 44 | CB | 30.676 | 1 |
17162 | 205 | CB | 29.877 | 1 |
17163 | 205 | CB | 29.878 | 1 |
17236 | 71 | CB | 31.6 | 1 |
17415 | 28 | CB | 31.2 | 1 |
17602 | 91 | CB | 32.695 | 1 |
17626 | 42 | CB | 28.13 | 1 |
17626 | 50 | CB | 18.38 | 1 |
17647 | 166 | CB | 31.848 | 1 |
17770 | 33 | CB | 32.557 | 1 |
18197 | 69 | CB | 32.621 | 1 |
18373 | 40 | CB | 32.694 | 1 |
19005 | 45 | CB | 32.58 | 1 |
19063 | 60 | CB | 30.176 | |
19063 | 66 | CB | 28.862 | |
19125 | 60 | CB | 30.600 | 1 |
19301 | 77 | CB | 30.57 | |
19443 | 74 | CB | 29.210 | |
19560 | 88 | CB | 32.11 | 1 |
19740 | 179 | CB | 31.879 | |
19740 | 201 | CB | 30.011 | |
19740 | 203 | CB | 31.132 | |
19825 | 171 | CB | 30.843 | 1 |
25025 | 23 | CB | 32.90 | |
25355 | 239 | CB | 25.321 | 1 |
25379 | 90 | CB | 31.376 | 1 |
25506 | 3 | CB | 31.221 | |
25507 | 3 | CB | 31.8 | 1 |
25663 | 12 | CB | 32.105 | |
25738 | 3 | CB | 31.8 | 1 |
25739 | 3 | CB | 30.9 | 1 |
26607 | 180 | CB | 31.7 | 1 |
26619 | 103 | CB | 32.876 | |
26818 | 27 | CB | 32.832 | 1 |
26819 | 27 | CB | 32.877 | 1 |
26848 | 159 | CB | 32.166 | 1 |
26848 | 44 | CB | 32.232 | 1 |
26851 | 159 | CB | 31.876 | 1 |
26851 | 44 | CB | 32.445 | 1 |
26851 | 80 | CB | 32.373 | 1 |
26958 | 141 | CB | 31.000 | 1 |
26985 | 89 | CB | 27.32 | |
27065 | 86 | CB | 32.303 | 1 |
27392 | 285 | CB | 30.478 | 1 |
27699 | 91 | CB | 32.819 | 1 |
27879 | 287 | CB | 30.425 | 1 |
30235 | 15 | CB | 32.1310 | 1 |
31020 | 39 | CB | 31.9300 | 1 |
34041 | 62 | CB | 32.742 | 1 |
34058 | 62 | CB | 32.852 | 1 |
34465 | 6 | CB | 31.0 | 1 |
34610 | 120 | CB | 32.683 | |
50022 | 106 | CB | 28.590 | |
50022 | 59 | CB | 29.542 | |
50213 | 66 | CB | 32.690 | 1 |
50213 | 66 | CB | 32.825 | 1 |
50299 | 37 | CB | 31.567 | |
50299 | 80 | CB | 32.678 | |
50412 | 126 | CB | 32.4931 | 1 |
50446 | 132 | CB | 30.369 | |
50544 | 68 | CB | 32.043 | |
50546 | 215 | CB | 32.669 | |
50861 | 41 | CB | 28.540 | |
50936 | 116 | CB | 30.1700 | 1 |
51050 | 107 | CB | 32.067 | |
51258 | 16 | CB | 32.818 | 1 |
51411 | 116 | CB | 32.18 | 1 |
51748 | 84 | CB | 29.158 | |
51992 | 171 | CB | 32.685 | 1 |