Average chemical shift: 53.167
Standard deviation: 1.926
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4097 | 21 | CA | 63.5 | 1 |
4136 | 59 | CA | 59.00 | 1 |
4230 | 28 | CA | 67.2 | |
4232 | 1 | CA | 68.71 | 1 |
4232 | 10 | CA | 66.70 | 1 |
4232 | 12 | CA | 67.10 | 1 |
4232 | 12 | CA | 78.10 | 1 |
4232 | 20 | CA | 60.14 | 1 |
4232 | 20 | CA | 71.14 | 1 |
4232 | 24 | CA | 65.85 | 1 |
4232 | 25 | CA | 65.87 | 1 |
4232 | 31 | CA | 65.77 | 1 |
4232 | 60 | CA | 66.03 | 1 |
4232 | 8 | CA | 61.76 | 1 |
4232 | 8 | CA | 72.76 | 1 |
4232 | 90 | CA | 99.00 | 1 |
4259 | 15 | CA | 60.7 | 1 |
4349 | 13 | CA | 59.9 | 1 |
4486 | 4 | CA | 61.46 | 1 |
4902 | 68 | CA | 59.51 | 1 |
5219 | 260 | CA | 63 | 1 |
5511 | 146 | CA | 60.25 | 1 |
5816 | 115 | CA | 59.0 | 1 |
5997 | 101 | CA | 65.516 | 1 |
6380 | 106 | CA | 59.2 | 1 |
6433 | 64 | CA | 62.06 | 1 |
6812 | 62 | CA | 59.78 | 1 |
6878 | 26 | CA | 65.33 | |
6878 | 28 | CA | 59.60 | |
6983 | 126 | CA | 59.15 | 1 |
7280 | 36 | CA | 61.79 | 1 |
11596 | 29 | CA | 59.175 | 1 |
15091 | 123 | CA | 78.326 | 1 |
15835 | 123 | CA | 59.283 | 1 |
16318 | 24 | CA | 84.84 | 1 |
16337 | 116 | CA | 59.3 | 1 |
16729 | 108 | CA | 63.315 | 1 |
16729 | 123 | CA | 61.495 | 1 |
16729 | 144 | CA | 59.549 | 1 |
16729 | 166 | CA | 64.997 | 1 |
16729 | 315 | CA | 62.398 | 1 |
16729 | 51 | CA | 65.645 | 1 |
16729 | 79 | CA | 59.428 | 1 |
16729 | 89 | CA | 59.663 | 1 |
16729 | 91 | CA | 63.165 | 1 |
16750 | 77 | CA | 63.54 | 1 |
16750 | 77 | CA | 63.55 | 1 |
16750 | 77 | CA | 63.56 | 1 |
16750 | 77 | CA | 63.61 | 1 |
16750 | 77 | CA | 63.62 | 1 |
16919 | 102 | CA | 61.535 | 1 |
17143 | 77 | CA | 60.147 | 1 |
17471 | 175 | CA | 59.665 | 1 |
17495 | 25 | CA | 70.189 | 1 |
17626 | 40 | CA | 59.09 | 1 |
17863 | 174 | CA | 59.858 | 1 |
17914 | 56 | CA | 123.90 | 1 |
18228 | 97 | CA | 60.520 | 1 |
19224 | 278 | CA | 60.040 | 1 |
19458 | 132 | CA | 63.2116 | |
25024 | 103 | CA | 61.128 | |
25442 | 11 | CA | 353.052 | |
25442 | 33 | CA | 354.698 | |
25442 | 5 | CA | 350.079 | |
25572 | 130 | CA | 62.836 | 1 |
25573 | 12 | CA | 59.7987 | 1 |
25761 | 17 | CA | 62.360 | |
26319 | 93 | CA | 60.935 | 1 |
26716 | 24 | CA | 67.022 | 1 |
27108 | 59 | CA | 64.201 | |
27210 | 12 | CA | 59.59 | 1 |
27273 | 175 | CA | 59.68 | 1 |
27274 | 175 | CA | 59.66 | 1 |
27300 | 153 | CA | 59.305 | |
27425 | 174 | CA | 59.21 | 1 |
30133 | 170 | CA | 59.724 | 9 |
30133 | 90 | CA | 60.377 | 9 |
30211 | 10 | CA | 59.213 | |
30211 | 18 | CA | 59.579 | |
30439 | 15 | CA | 60.145 | |
30439 | 16 | CA | 60.868 | |
30439 | 17 | CA | 60.930 | |
30958 | 31 | CA | 62.097 | |
30958 | 46 | CA | 61.290 | |
34754 | 36 | CA | 59.068 | 1 |
34776 | 40 | CA | 59.618 | 1 |
50022 | 85 | CA | 61.513 | |
50027 | 12 | CA | 72.252 | 1 |
50960 | 119 | CA | 59.346 | |
52077 | 3 | CA | 60.321 | 1 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1580 | 142 | CA | 47.3 | 1 |
1580 | 84 | CA | 47.2 | 1 |
1642 | 23 | CA | 47.15 | 1 |
4127 | 32 | CA | 46.9 | 1 |
4364 | 51 | CA | 47.1 | 1 |
4431 | 10 | CA | 45.5 | 1 |
4431 | 141 | CA | 45.8 | 1 |
4431 | 21 | CA | 45.8 | 1 |
4431 | 7 | CA | 45.5 | 1 |
4431 | 74 | CA | 45.8 | 1 |
4431 | 81 | CA | 43.0 | 1 |
4478 | 70 | CA | 46.9 | 1 |
4863 | 21 | CA | 46.8 | 1 |
4863 | 56 | CA | 47.1 | 1 |
4867 | 104 | CA | 47.0 | 1 |
4901 | 109 | CA | 44.22 | 1 |
4953 | 36 | CA | 47.335 | 1 |
4978 | 37 | CA | 46.87 | 1 |
5263 | 34 | CA | 42.817 | |
5300 | 130 | CA | 45.8 | 1 |
5407 | 112 | CA | 47.073 | |
5514 | 110 | CA | 46.04 | 1 |
5514 | 163 | CA | 46.74 | 1 |
5514 | 179 | CA | 46.79 | 1 |
5514 | 206 | CA | 47.29 | 1 |
5547 | 196 | CA | 46.9 | 1 |
5547 | 247 | CA | 47.2 | 1 |
5592 | 9 | CA | 40.67 | 1 |
5742 | 38 | CA | 46.906 | |
5752 | 144 | CA | 47.033 | 1 |
5813 | 9 | CA | 47.344 | 1 |
5819 | 55 | CA | 46.2 | 1 |
5886 | 186 | CA | 47.35 | 1 |
5886 | 355 | CA | 47.28 | 1 |
5888 | 91 | CA | 47.3 | 1 |
5998 | 113 | CA | 46.8 | 1 |
6073 | 108 | CA | 45.95 | |
6073 | 128 | CA | 47.03 | |
6080 | 101 | CA | 46.678 | 1 |
6080 | 74 | CA | 46.685 | 1 |
6193 | 94 | CA | 46.467 | 1 |
6374 | 29 | CA | 47.379 | |
6402 | 36 | CA | 46.672 | 1 |
6444 | 53 | CA | 46.850 | |
6555 | 82 | CA | 45.360 | 1 |
6586 | 102 | CA | 45.980 | 1 |
6586 | 132 | CA | 45.555 | 1 |
6586 | 2 | CA | 45.491 | 1 |
6586 | 90 | CA | 45.555 | 1 |
6803 | 18 | CA | 17.294 | 1 |
6972 | 34 | CA | 47.0 | 1 |
6986 | 118 | CA | 46.9 | 1 |
7033 | 13 | CA | 47.099 | 1 |
7083 | 41 | CA | 46.335 | 1 |
7241 | 8 | CA | 47.32 | 1 |
10019 | 13 | CA | 47.378 | 1 |
10273 | 56 | CA | 47.088 | 1 |
11011 | 9 | CA | 47.344 | 1 |
11018 | 53 | CA | 47.00 | 1 |
11035 | 62 | CA | 17.053 | 1 |
11035 | 66 | CA | 20.598 | 1 |
11037 | 62 | CA | 17.007 | 1 |
11037 | 66 | CA | 20.565 | 1 |
11125 | 94 | CA | 47.356 | 1 |
11140 | 33 | CA | 46.778 | 1 |
11222 | 52 | CA | 47.376 | 1 |
11236 | 83 | CA | 46.974 | 1 |
15046 | 13 | CA | 47.370 | 1 |
15046 | 85 | CA | 46.810 | 1 |
15120 | 53 | CA | 46.9 | |
15200 | 8 | CA | 46.900 | 1 |
15315 | 90 | CA | 45.532 | 1 |
15558 | 99 | CA | 46.505 | 1 |
15578 | 53 | CA | 46.873 | 1 |
15820 | 91 | CA | 46.605 | |
15873 | 13 | CA | 36.717 | 1 |
15873 | 41 | CA | 35.451 | 1 |
15873 | 51 | CA | 33.070 | 1 |
15873 | 54 | CA | 36.779 | 1 |
15873 | 63 | CA | 35.710 | 1 |
15874 | 13 | CA | 36.717 | 1 |
15874 | 41 | CA | 35.451 | 1 |
15874 | 51 | CA | 33.070 | 1 |
15874 | 54 | CA | 36.779 | 1 |
15874 | 63 | CA | 35.710 | 1 |
15912 | 53 | CA | 47.01 | 1 |
16108 | 162 | CA | 46.573 | 1 |
16114 | 14 | CA | 47.183 | 1 |
16204 | 82 | CA | 46.873 | 1 |
16205 | 158 | CA | 47.256 | 1 |
16205 | 82 | CA | 46.708 | 1 |
16207 | 64 | CA | 47.336 | 1 |
16208 | 64 | CA | 47.336 | 1 |
16569 | 82 | CA | 47.384 | 1 |
16712 | 48 | CA | 46.811 | 1 |
16713 | 48 | CA | 46.586 | 1 |
16729 | 289 | CA | 46.455 | 1 |
16809 | 53 | CA | 47.01 | 1 |
16863 | 16 | CA | 46.503 | 1 |
16884 | 12 | CA | 45.4 | 1 |
16884 | 41 | CA | 45.9 | 1 |
16982 | 66 | CA | 47.305 | 1 |
16984 | 275 | CA | 47.224 | 1 |
16984 | 5 | CA | 46.216 | 1 |
16984 | 64 | CA | 44.784 | 1 |
17162 | 216 | CA | 47.371 | 1 |
17163 | 216 | CA | 47.198 | 1 |
17456 | 21 | CA | 47.090 | 1 |
17477 | 99 | CA | 46.497 | 1 |
17493 | 88 | CA | 45.305 | 1 |
17495 | 26 | CA | 36.367 | 1 |
17529 | 17 | CA | 46.304 | 1 |
17660 | 138 | CA | 47.264 | 1 |
17660 | 24 | CA | 46.650 | 1 |
17660 | 52 | CA | 45.627 | 1 |
17660 | 54 | CA | 46.471 | 1 |
17704 | 14 | CA | 47.26 | 1 |
17705 | 92 | CA | 47.169 | 1 |
17706 | 92 | CA | 46.720 | 1 |
17707 | 92 | CA | 46.535 | 1 |
17777 | 5 | CA | 46.141 | 1 |
17781 | 201 | CA | 47.123 | 1 |
17781 | 260 | CA | 46.253 | 1 |
17782 | 177 | CA | 46.317 | 1 |
17799 | 56 | CA | 47.183 | 1 |
17799 | 94 | CA | 47.206 | 1 |
17806 | 34 | CA | 46.843 | 1 |
17806 | 72 | CA | 46.988 | 1 |
18081 | 45 | CA | 46.283 | 1 |
18118 | 16 | CA | 46.775 | 1 |
18204 | 73 | CA | 47.358 | 1 |
18321 | 206 | CA | 40.1961 | 1 |
18333 | 206 | CA | 40.1961 | 1 |
18373 | 21 | CA | 46.683 | 1 |
18388 | 90 | CA | 46.613 | 1 |
18389 | 90 | CA | 46.821 | 1 |
18490 | 12 | CA | 47.387 | 1 |
18509 | 152 | CA | 46.772 | 1 |
18509 | 55 | CA | 46.155 | 1 |
18509 | 89 | CA | 46.369 | 1 |
18509 | 95 | CA | 46.914 | 1 |
18603 | 6 | CA | 46.926 | 1 |
18603 | 93 | CA | 47.323 | 1 |
18609 | 210 | CA | 46.202 | 1 |
18609 | 65 | CA | 47.256 | 1 |
18609 | 74 | CA | 45.976 | 1 |
18708 | 152 | CA | 46.772 | 1 |
18708 | 55 | CA | 46.155 | 1 |
18708 | 89 | CA | 46.369 | 1 |
18708 | 95 | CA | 46.914 | 1 |
18796 | 10 | CA | 47.04 | 1 |
18905 | 70 | CA | 47.155 | |
18951 | 25 | CA | 28.655 | 1 |
18951 | 31 | CA | 27.985 | 1 |
18951 | 34 | CA | 29.705 | 1 |
18951 | 44 | CA | 26.718 | 1 |
18951 | 7 | CA | 26.375 | 1 |
19063 | 36 | CA | 43.723 | |
19063 | 38 | CA | 45.244 | |
19063 | 46 | CA | 41.235 | |
19063 | 53 | CA | 44 | |
19063 | 71 | CA | 44.069 | |
19063 | 74 | CA | 44.414 | |
19063 | 93 | CA | 42.064 | |
19063 | 99 | CA | 39.922 | |
19239 | 92 | CA | 47.301 | 1 |
19560 | 46 | CA | 47.38 | 1 |
19560 | 54 | CA | 47.15 | 1 |
19601 | 46 | CA | 47.300 | 1 |
19616 | 203 | CA | 42.855 | 1 |
19776 | 59 | CA | 47.220 | |
19777 | 59 | CA | 47.309 | |
19792 | 54 | CA | 47.049 | |
19807 | 54 | CA | 47.138 | 1 |
19807 | 90 | CA | 46.881 | 1 |
25004 | 16 | CA | 47.3 | |
25040 | 135 | CA | 46.588 | 1 |
25040 | 48 | CA | 46.987 | 1 |
25043 | 134 | CA | 46.111 | 1 |
25043 | 47 | CA | 46.753 | 1 |
25342 | 110 | CA | 47.346 | 1 |
25379 | 113 | CA | 47.126 | 1 |
25379 | 115 | CA | 46.284 | 1 |
25379 | 140 | CA | 47.335 | 1 |
25379 | 152 | CA | 45.262 | 1 |
25379 | 153 | CA | 45.663 | 1 |
25379 | 165 | CA | 45.573 | 1 |
25379 | 167 | CA | 47.2 | 1 |
25379 | 5 | CA | 47.148 | 1 |
25379 | 9 | CA | 47.35 | 1 |
25379 | 96 | CA | 46.887 | 1 |
25453 | 26 | CA | 41.722 | 1 |
25481 | 6 | CA | 46.88 | 1 |
25701 | 87 | CA | 47.14 | 1 |
25752 | 87 | CA | 47.00 | 1 |
25792 | 75 | CA | 46.680 | |
25821 | 203 | CA | 47.151 | 1 |
25821 | 22 | CA | 46.696 | 1 |
25924 | 46 | CA | 46.865 | |
26557 | 140 | CA | 20.1 | |
26619 | 46 | CA | 46.992 | |
26647 | 170 | CA | 47.38 | 1 |
26725 | 30 | CA | 47.208 | |
26725 | 60 | CA | 46.983 | |
26741 | 127 | CA | 47.291 | |
26792 | 28 | CA | 46.0 | 1 |
26792 | 51 | CA | 46.7 | 1 |
26792 | 57 | CA | 46.4 | 1 |
26792 | 67 | CA | 46.9 | 1 |
26793 | 13 | CA | 46.4 | 1 |
26793 | 67 | CA | 44.6 | 1 |
26848 | 180 | CA | 46.679 | 1 |
26848 | 188 | CA | 47.030 | 1 |
26848 | 222 | CA | 47.064 | 1 |
26851 | 180 | CA | 46.531 | 1 |
26851 | 188 | CA | 46.953 | 1 |
26851 | 222 | CA | 47.045 | 1 |
26973 | 43 | CA | 46.840 | 1 |
26985 | 143 | CA | 47.23 | |
26985 | 72 | CA | 47.23 | |
27055 | 50 | CA | 47.300 | |
27078 | 233 | CA | 46.9 | 1 |
27089 | 34 | CA | 46.665 | 1 |
27121 | 106 | CA | 46.279 | |
27122 | 106 | CA | 46.279 | |
27246 | 74 | CA | 47.066 | |
27247 | 74 | CA | 47.045 | |
27338 | 52 | CA | 47.159 | 1 |
27499 | 65 | CA | 46.845 | 1 |
27591 | 103 | CA | 47.362 | 1 |
27591 | 43 | CA | 47.154 | 1 |
27592 | 43 | CA | 47.229 | 1 |
27752 | 2 | CA | 42.8 | 1 |
27834 | 90 | CA | 47.012 | 1 |
27859 | 258 | CA | 46.3 | |
28089 | 19 | CA | 47.071 | 1 |
28132 | 108 | CA | 46.315 | |
30290 | 59 | CA | 46.639 | |
30290 | 88 | CA | 47.208 | |
30375 | 150 | CA | 46.535 | |
30375 | 227 | CA | 46.535 | |
30375 | 58 | CA | 46.839 | |
30518 | 31 | CA | 46.890 | 1 |
30705 | 20 | CA | 47.077 | 1 |
34396 | 30 | CA | 47.3 | 1 |
34466 | 166 | CA | 46.573 | |
34466 | 61 | CA | 46.400 | |
34555 | 48 | CA | 47.243 | |
34556 | 83 | CA | 46.997 | |
34607 | 67 | CA | 47.300 | 1 |
36185 | 44 | CA | 47.315 | |
36185 | 70 | CA | 46.791 | |
36185 | 81 | CA | 47.214 | |
50010 | 72 | CA | 43.994 | 1 |
50011 | 72 | CA | 44.333 | 1 |
50192 | 78 | CA | 46.735 | 1 |
50371 | 127 | CA | 47.373 | |
50412 | 14 | CA | 47.2092 | 1 |
50412 | 179 | CA | 46.5787 | 1 |
50412 | 88 | CA | 46.9588 | 1 |
50518 | 66 | CA | 46.122 | 1 |
50555 | 46 | CA | 47.207 | 1 |
50681 | 34 | CA | 47.188 | 1 |
50691 | 121 | CA | 45.480 | |
50691 | 126 | CA | 46.840 | |
50963 | 158 | CA | 47.222 | |
51285 | 13 | CA | 47.151 | 1 |
51285 | 19 | CA | 46.900 | 1 |
51285 | 26 | CA | 47.366 | 1 |
51285 | 43 | CA | 46.765 | 1 |
51285 | 44 | CA | 46.916 | 1 |
51336 | 17 | CA | 47.252 | 1 |
51336 | 24 | CA | 46.456 | 1 |
51380 | 114 | CA | 43.801 | |
51380 | 123 | CA | 44.425 | |
51380 | 150 | CA | 47.234 | |
51411 | 145 | CA | 47.16 | 1 |
51411 | 67 | CA | 47.02 | 1 |
51411 | 79 | CA | 46.89 | 1 |
51419 | 50 | CA | 47.109 | 1 |
51432 | 37 | CA | 46.787 | 1 |
51437 | 46 | CA | 47.044 | 1 |
51515 | 70 | CA | 46.81 | |
51515 | 94 | CA | 46.79 | |
51535 | 112 | CA | 35.77 | 1 |
51659 | 67 | CA | 47.06 | 1 |
51741 | 6 | CA | 47.25441584 | 1 |
51881 | 83 | CA | 47.386 | 1 |
52030 | 27 | CA | 47.28 | 1 |
52030 | 4 | CA | 45.385 | 1 |
52087 | 32 | CA | 47.235 | 1 |
52179 | 109 | CA | 47.367 | 1 |