Average chemical shift: 53.537
Standard deviation: 1.852
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4100 | 46 | CA | 62.30 | 1 |
4230 | 76 | CA | 59.2 | |
4232 | 52 | CA | 99.00 | 1 |
4341 | 140 | CA | 59.765 | 1 |
4391 | 7 | CA | 62.13 | 1 |
4689 | 99 | CA | 61.8 | 1 |
4759 | 80 | CA | 59.3 | 1 |
4831 | 27 | CA | 59.1 | |
4997 | 18 | CA | 60.49 | 1 |
5179 | 39 | CA | 97.680 | |
5554 | 73 | CA | 59.2 | 1 |
5563 | 65 | CA | 59.176 | 1 |
5935 | 195 | CA | 59.455 | 1 |
6361 | 77 | CA | 59.213 | 1 |
6405 | 101 | CA | 61.18 | 1 |
6705 | 53 | CA | 59.277 | |
6983 | 23 | CA | 59.61 | 1 |
6987 | 23 | CA | 59.91 | 1 |
7187 | 63 | CA | 59.714 | 1 |
7220 | 76 | CA | 59.440 | 1 |
10012 | 3 | CA | 61.7 | 1 |
10035 | 43 | CA | 59.515 | 1 |
11436 | 172 | CA | 59.101 | 1 |
11453 | 17 | CA | 63.850 | 1 |
12040 | 192 | CA | 64.508 | 1 |
15020 | 90 | CA | 59.542 | 1 |
15048 | 153 | CA | 59.303 | 1 |
15202 | 153 | CA | 59.316 | 1 |
15711 | 65 | CA | 59.288 | 6 |
16146 | 70 | CA | 59.289 | 1 |
16318 | 51 | CA | 82.908 | 1 |
16389 | 91 | CA | 59.160 | 1 |
16675 | 158 | CA | 59.960 | 1 |
16694 | 91 | CA | 59.320 | 1 |
16701 | 231 | CA | 59.322 | 1 |
16729 | 102 | CA | 59.791 | 1 |
16729 | 141 | CA | 64.259 | 1 |
16729 | 155 | CA | 65.818 | 1 |
16729 | 196 | CA | 61.649 | 1 |
16729 | 206 | CA | 60.885 | 1 |
16729 | 209 | CA | 62.514 | 1 |
16729 | 300 | CA | 67.359 | 1 |
16729 | 321 | CA | 65.812 | 1 |
16729 | 72 | CA | 59.980 | 1 |
16729 | 73 | CA | 66.920 | 1 |
16812 | 28 | CA | 59.408 | 1 |
17126 | 89 | CA | 59.117 | 1 |
17131 | 107 | CA | 65.26 | 1 |
17614 | 232 | CA | 59.470 | 1 |
17993 | 43 | CA | 59.56 | 1 |
18112 | 63 | CA | 60.467 | 1 |
18228 | 112 | CA | 59.528 | 1 |
18307 | 61 | CA | 60.377 | 1 |
18413 | 21 | CA | 60.802 | 1 |
18601 | 92 | CA | 59.670 | 1 |
18613 | 38 | CA | 61.996 | 1 |
18856 | 18 | CA | 59.436 | |
19143 | 74 | CA | 60.6600 | 1 |
19156 | 48 | CA | 61.430 | 1 |
19333 | 90 | CA | 59.22 | 1 |
19443 | 84 | CA | 59.815 | |
19458 | 77 | CA | 62.6032 | |
19458 | 84 | CA | 60.5560 | |
19683 | 31 | CA | 59.417 | |
19844 | 61 | CA | 63.95 | |
25076 | 53 | CA | 60.072 | 1 |
25109 | 53 | CA | 59.303 | 1 |
25282 | 76 | CA | 59.113 | |
25442 | 25 | CA | 353.834 | |
25442 | 36 | CA | 354.022 | |
25442 | 39 | CA | 353.480 | |
25442 | 8 | CA | 352.277 | |
25609 | 19 | CA | 59.394 | |
26509 | 25 | CA | 59.548 | 1 |
26608 | 32 | CA | 59.107 | 1 |
26609 | 32 | CA | 59.252 | 1 |
26644 | 33 | CA | 59.545 | 1 |
26648 | 235 | CA | 59.15 | 1 |
26748 | 60 | CA | 59.452 | 1 |
26760 | 111 | CA | 60.965 | 1 |
26769 | 69 | CA | 59.149 | 1 |
26776 | 69 | CA | 59.167 | 1 |
26777 | 69 | CA | 59.149 | 1 |
27438 | 134 | CA | 61.850 | |
27588 | 55 | CA | 60.519 | 1 |
27591 | 27 | CA | 61.050 | 1 |
30133 | 20 | CA | 60.791 | 9 |
30271 | 17 | CA | 59.470 | 1 |
30271 | 33 | CA | 59.524 | 1 |
30412 | 9 | CA | 59.119 | 1 |
30503 | 18 | CA | 59.97 | 1 |
30727 | 62 | CA | 62.860 | |
30807 | 69 | CA | 63.684 | |
30856 | 18 | CA | 59.97 | 1 |
34121 | 120 | CA | 59.974 | 1 |
34797 | 19 | CA | 65.334 | 1 |
34803 | 17 | CA | 59.675 | |
34803 | 24 | CA | 60.794 | |
50022 | 17 | CA | 60.222 | |
50027 | 16 | CA | 68.563 | 1 |
50173 | 132 | CA | 59.229 | 1 |
50213 | 51 | CA | 61.471 | 1 |
50696 | 184 | CA | 59.17050799 | 1 |
50903 | 71 | CA | 59.886 | 1 |
51105 | 429 | CA | 59.3034 | 1 |
51176 | 385 | CA | 59.74 | |
51401 | 5 | CA | 68.308 | |
51677 | 255 | CA | 59.330 | 1 |
52091 | 35 | CA | 60.5961293272 | |
52197 | 68 | CA | 60.009 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4050 | 14 | CA | 47.65 | 1 |
4051 | 14 | CA | 47.88 | 1 |
4070 | 144 | CA | 47.8 | 1 |
4276 | 56 | CA | 46.84 | 1 |
4431 | 121 | CA | 43.3 | 1 |
4431 | 6 | CA | 45.8 | 1 |
4431 | 65 | CA | 43.6 | 1 |
4431 | 69 | CA | 45.2 | 1 |
4431 | 82 | CA | 45.5 | 1 |
4565 | 111 | CA | 47.21 | 1 |
4858 | 26 | CA | 47.6 | 1 |
4867 | 22 | CA | 46.9 | 1 |
5161 | 100 | CA | 46.802 | |
5462 | 43 | CA | 45.56 | 1 |
5514 | 105 | CA | 47.71 | 1 |
5514 | 121 | CA | 47.30 | 1 |
5547 | 228 | CA | 47.7 | 1 |
5547 | 96 | CA | 47.9 | 1 |
5600 | 14 | CA | 47.26 | 1 |
5616 | 70 | CA | 45.797 | 1 |
5626 | 58 | CA | 2.200 | 1 |
5742 | 20 | CA | 47.219 | |
5754 | 41 | CA | 46.57 | 1 |
5813 | 119 | CA | 46.717 | 1 |
5861 | 126 | CA | 47.08 | 1 |
5891 | 79 | CA | 47.000 | 1 |
6025 | 78 | CA | 41.313 | 1 |
6073 | 15 | CA | 47.61 | |
6073 | 82 | CA | 46.84 | |
6080 | 142 | CA | 47.775 | 1 |
6348 | 2 | CA | 46.8 | |
6584 | 135 | CA | 46.564 | 1 |
6586 | 36 | CA | 44.776 | 1 |
6622 | 94 | CA | 45.7788 | 1 |
6911 | 11 | CA | 46.999 | 1 |
7083 | 96 | CA | 47.822 | 1 |
7414 | 110 | CA | 45.177 | 1 |
10273 | 66 | CA | 47.732 | 1 |
11001 | 136 | CA | 46.9 | 1 |
11011 | 119 | CA | 46.806 | 1 |
11086 | 132 | CA | 46.541 | 1 |
11145 | 61 | CA | 47.393 | 1 |
11146 | 119 | CA | 47.335 | 1 |
11146 | 13 | CA | 47.314 | 1 |
11490 | 37 | CA | 47.845 | 1 |
11580 | 14 | CA | 46.689 | 1 |
12002 | 35 | CA | 46.868 | 1 |
12009 | 90 | CA | 46.981 | 1 |
15113 | 42 | CA | 47.970 | 1 |
15315 | 1 | CA | 46.538 | 1 |
15315 | 96 | CA | 47.466 | 1 |
15558 | 131 | CA | 46.638 | 1 |
15558 | 60 | CA | 47.558 | 1 |
15578 | 282 | CA | 45.509 | 1 |
15763 | 54 | CA | 47.5 | 1 |
15873 | 50 | CA | 35.728 | 1 |
15873 | 59 | CA | 37.310 | 1 |
15874 | 50 | CA | 35.728 | 1 |
15874 | 59 | CA | 37.310 | 1 |
15894 | 24 | CA | 47.582 | 1 |
15895 | 24 | CA | 47.582 | 1 |
15896 | 24 | CA | 47.644 | 1 |
15897 | 24 | CA | 47.644 | 1 |
15912 | 57 | CA | 46.36 | 1 |
16057 | 35 | CA | 46.130 | 1 |
16164 | 50 | CA | 47.749 | 1 |
16205 | 21 | CA | 47.901 | 1 |
16315 | 94 | CA | 47.6 | 1 |
16708 | 54 | CA | 47.0 | 1 |
16809 | 55 | CA | 46.36 | 1 |
16884 | 13 | CA | 47.2 | 1 |
16884 | 37 | CA | 47.5 | 1 |
16884 | 62 | CA | 45.5 | 1 |
16884 | 92 | CA | 47.8 | 1 |
16940 | 127 | CA | 47.47 | 1 |
16984 | 105 | CA | 46.817 | 1 |
16984 | 248 | CA | 46.829 | 1 |
16984 | 89 | CA | 47.377 | 1 |
17067 | 54 | CA | 47.4 | 1 |
17443 | 117 | CA | 47.138 | 1 |
17477 | 60 | CA | 47.747 | 1 |
17529 | 19 | CA | 47.241 | 1 |
17538 | 25 | CA | 47.871 | 1 |
17544 | 20 | CA | 47.925 | 1 |
17596 | 36 | CA | 47.801 | 1 |
17692 | 51 | CA | 47.786 | 1 |
17781 | 233 | CA | 47.934 | 1 |
17782 | 150 | CA | 47.580 | 1 |
18190 | 39 | CA | 47.845 | 1 |
18292 | 16 | CA | 47.510 | 1 |
18321 | 137 | CA | 44.6701 | 1 |
18321 | 280 | CA | 45.6153 | 1 |
18333 | 137 | CA | 44.6701 | 1 |
18353 | 24 | CA | 47.853 | 1 |
18353 | 75 | CA | 47.601 | 1 |
18373 | 214 | CA | 47.369 | 1 |
18509 | 65 | CA | 47.753 | 1 |
18603 | 14 | CA | 46.533 | 1 |
18708 | 65 | CA | 47.753 | 1 |
18789 | 23 | CA | 47.920 | 1 |
19063 | 15 | CA | 42.617 | |
19063 | 67 | CA | 41.58 | |
19063 | 73 | CA | 45.313 | |
19063 | 91 | CA | 42.133 | |
19321 | 15 | CA | 46.494 | 1 |
19411 | 23 | CA | 45.1 | 1 |
19443 | 27 | CA | 45.140 | |
19476 | 6 | CA | 47.068 | 1 |
19560 | 7 | CA | 47.93 | 1 |
19792 | 22 | CA | 47.706 | |
19851 | 90 | CA | 47.733 | 1 |
25027 | 71 | CA | 46.646 | 1 |
25040 | 196 | CA | 46.364 | 1 |
25043 | 195 | CA | 46.262 | 1 |
25368 | 116 | CA | 47.944 | 1 |
25379 | 116 | CA | 47.119 | 1 |
25379 | 26 | CA | 47.227 | 1 |
25379 | 39 | CA | 45.329 | 1 |
25760 | 140 | CA | 47.711 | |
25821 | 215 | CA | 47.871 | 1 |
25821 | 77 | CA | 47.166 | 1 |
26689 | 3 | CA | 45.504 | |
26741 | 142 | CA | 46.313 | |
26741 | 198 | CA | 47.952 | |
26742 | 142 | CA | 45.92 | |
26742 | 157 | CA | 40.59 | |
26742 | 198 | CA | 47.86 | |
26756 | 103 | CA | 47.743 | |
26757 | 103 | CA | 47.814 | |
26848 | 104 | CA | 47.475 | 1 |
26848 | 33 | CA | 47.694 | 1 |
26851 | 104 | CA | 47.364 | 1 |
26851 | 33 | CA | 47.599 | 1 |
27078 | 106 | CA | 47.2 | 1 |
27210 | 43 | CA | 47.90 | 1 |
27233 | 67 | CA | 47.7495 | 1 |
27527 | 22 | CA | 47.199 | |
27591 | 24 | CA | 47.862 | 1 |
27859 | 244 | CA | 47.5 | |
27859 | 67 | CA | 47.3 | |
28003 | 120 | CA | 41.527 | 9 |
30515 | 86 | CA | 47.043 | 1 |
30667 | 7 | CA | 47.515 | |
30670 | 7 | CA | 47.206 | |
34124 | 1 | CA | 41.197 | |
34329 | 21 | CA | 46.915 | 1 |
34329 | 89 | CA | 47.313 | 1 |
34460 | 35 | CA | 46.724 | |
34466 | 47 | CA | 47.539 | |
34555 | 16 | CA | 47.645 | |
34556 | 51 | CA | 47.565 | |
36136 | 12 | CA | 43.355 | |
36445 | 32 | CA | 47.086 | 1 |
50022 | 171 | CA | 42.447 | |
50681 | 28 | CA | 46.836 | 1 |
51065 | 33 | CA | 47.612 | |
51515 | 53 | CA | 47.88 | |
51515 | 95 | CA | 47.30 | |
51659 | 104 | CA | 47.77 | 1 |
51659 | 36 | CA | 47.95 | 1 |
52030 | 62 | CA | 47.892 | 1 |
52077 | 9 | CA | 47.594 | 1 |