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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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The statistics presented in this table were calculated from the full BMRB database. This includes paramagnetic proteins, proteins with aromatic prosthetic groups, and entries where chemical shifts are reported relative to uncommon chemical shift reference compounds.
Compound ID | Atom Name | Number of Shifts | Minimum Shift | Maximum Shift | Average Shift | Standard Deviation |
---|---|---|---|---|---|---|
ALA | H | 79106 | -0.914 | 69.229 | 8.193 | 0.644 |
HA | 55680 | -2.52 | 17.870 | 4.245 | 0.445 | |
MB | 53600 | -14.040 | 5.48 | 1.351 | 0.280 | |
C | 51177 | 0.037 | 187.2 | 177.740 | 3.367 | |
CA | 70243 | 17.007 | 354.698 | 53.173 | 2.843 | |
CB | 66622 | -40.993 | 318.868 | 19.059 | 3.151 | |
N | 75217 | 0.049 | 766 | 123.346 | 6.226 | |
ARG | H | 52618 | 0.011 | 178 | 8.240 | 0.969 |
HA | 37983 | 1.212 | 12.57 | 4.290 | 0.472 | |
HB2 | 34597 | -4.78 | 27.530 | 1.790 | 0.313 | |
HB3 | 32715 | -1.320 | 27.530 | 1.758 | 0.325 | |
HD2 | 30428 | -6.44 | 5.0 | 3.107 | 0.267 | |
HD3 | 27695 | -0.690 | 5.0 | 3.090 | 0.288 | |
HE | 10327 | 1.150 | 116.661 | 7.453 | 2.911 | |
HG2 | 30979 | -1.45 | 4.2 | 1.559 | 0.285 | |
HG3 | 28730 | -1.298 | 5.47 | 1.539 | 0.299 | |
HH11 | 949 | 4.41 | 11.7 | 6.935 | 0.571 | |
HH12 | 730 | 4.41 | 10.727 | 6.878 | 0.530 | |
HH21 | 808 | 1.233 | 11.352 | 6.825 | 0.657 | |
HH22 | 664 | 1.233 | 60.1410 | 6.904 | 2.166 | |
C | 32374 | 0.174 | 184.96 | 176.416 | 3.177 | |
CA | 45545 | 8.369 | 358.124 | 56.792 | 3.431 | |
CB | 42473 | 17.736 | 329.120 | 30.703 | 2.562 | |
CD | 26139 | 18.9350 | 342.642 | 43.199 | 3.020 | |
CG | 25871 | 12.17 | 328.290 | 27.261 | 3.123 | |
CZ | 700 | 43.199 | 184.497 | 160.278 | 6.628 | |
N | 48590 | 0.125 | 433.808 | 120.810 | 4.803 | |
NE | 6547 | -23.150 | 149.1080 | 90.204 | 13.867 | |
NH1 | 261 | 6.450 | 124.7890 | 79.059 | 13.772 | |
NH2 | 223 | 66.2 | 128.470 | 78.986 | 14.538 | |
ASN | H | 43492 | 0.008 | 20.4 | 8.327 | 0.651 |
HA | 31520 | 0.896 | 7.110 | 4.661 | 0.364 | |
HB2 | 29658 | -0.773 | 8.883 | 2.800 | 0.335 | |
HB3 | 28626 | -0.948 | 5.137 | 2.742 | 0.361 | |
HD21 | 22390 | 0.783 | 111.320 | 7.338 | 0.862 | |
HD22 | 22124 | 0.905 | 111.320 | 7.144 | 0.880 | |
C | 27308 | 0.114 | 185.3000 | 175.248 | 2.962 | |
CA | 38450 | 2.200 | 354.022 | 53.555 | 3.628 | |
CB | 36464 | 1.9620 | 342.798 | 38.732 | 3.715 | |
CG | 2510 | 0.000 | 183.8 | 176.374 | 7.370 | |
N | 40644 | 0.041 | 426.314 | 118.926 | 5.245 | |
ND2 | 19349 | 21.038 | 1114.29 | 112.922 | 12.938 | |
ASP | H | 62574 | -0.35 | 25.876 | 8.301 | 0.594 |
HA | 44155 | -3.75 | 8.66 | 4.586 | 0.327 | |
HB2 | 41355 | -5.2 | 37.4 | 2.717 | 0.521 | |
HB3 | 39728 | -1.46 | 37.2 | 2.667 | 0.528 | |
HD2 | 16 | 1.160 | 12.30 | 5.292 | 2.806 | |
C | 39935 | 0.106 | 184.14 | 176.373 | 3.381 | |
CA | 55361 | 5.630 | 354.531 | 54.692 | 2.784 | |
CB | 52518 | 9.7 | 341.273 | 40.894 | 2.626 | |
CG | 847 | 2.637 | 186.5 | 177.751 | 16.082 | |
N | 59801 | 0.061 | 428.093 | 120.686 | 4.734 | |
CYS | H | 22129 | 3.723 | 12.660 | 8.379 | 0.700 |
HA | 18275 | -9.858 | 43.5 | 4.681 | 0.995 | |
HB2 | 17657 | -39.82 | 363.580 | 3.147 | 6.536 | |
HB3 | 17215 | -44.2 | 363.580 | 3.067 | 5.924 | |
HG | 231 | -1.830 | 10.700 | 2.011 | 1.376 | |
C | 10653 | 1.000 | 187.591 | 174.793 | 3.246 | |
CA | 15898 | 30.6688 | 82.3 | 58.043 | 3.457 | |
CB | 15147 | 17.99 | 73.920 | 33.333 | 6.491 | |
N | 17426 | -147 | 628 | 120.461 | 18.926 | |
GLN | H | 44482 | 0.000 | 66.542 | 8.217 | 0.662 |
HA | 31608 | 0.403 | 7.43 | 4.266 | 0.435 | |
HB2 | 28833 | -1.514 | 10.461 | 2.042 | 0.278 | |
HB3 | 27449 | -1.4980 | 20.9 | 2.012 | 0.330 | |
HE21 | 20374 | -3.41 | 23.893 | 7.215 | 0.502 | |
HE22 | 20257 | 1.025 | 113.695 | 7.037 | 0.897 | |
HG2 | 26948 | -1.76 | 33.5990 | 2.313 | 0.342 | |
HG3 | 24993 | -1.395 | 34.946 | 2.292 | 0.367 | |
C | 28836 | 0.069 | 1755.998 | 176.346 | 9.860 | |
CA | 39978 | 1.733 | 356.830 | 56.566 | 2.678 | |
CB | 37497 | 1.843 | 328.286 | 29.203 | 2.574 | |
CD | 2469 | 6.789 | 183.929 | 179.325 | 7.211 | |
CG | 23801 | 2.097 | 333.032 | 33.810 | 2.623 | |
N | 42465 | 0.000 | 418.059 | 119.953 | 4.251 | |
NE2 | 18326 | 33.9 | 412.160 | 111.880 | 3.040 | |
GLU | H | 81038 | 0.008 | 122.9 | 8.331 | 0.759 |
HA | 57535 | 0.433 | 8.02 | 4.242 | 0.414 | |
HB2 | 52308 | -1.470 | 4.82 | 2.018 | 0.223 | |
HB3 | 49206 | -1.633 | 4.08 | 1.994 | 0.228 | |
HE2 | 15 | 0.801 | 11.96 | 5.088 | 2.703 | |
HG2 | 48380 | -0.674 | 4.69 | 2.264 | 0.223 | |
HG3 | 45018 | -0.10 | 4.69 | 2.244 | 0.225 | |
C | 52699 | 0.074 | 184.71 | 176.841 | 3.916 | |
CA | 72046 | 1.056 | 360.826 | 57.333 | 3.355 | |
CB | 67366 | 9.08 | 330.834 | 30.024 | 3.245 | |
CD | 884 | 0.000 | 198.609 | 180.825 | 15.849 | |
CG | 43052 | 6.16 | 337.230 | 36.142 | 3.025 | |
N | 77770 | 0.044 | 422.043 | 120.711 | 4.811 | |
GLY | H | 78504 | -15.3 | 15.7 | 8.326 | 0.665 |
HA2 | 54920 | -3.4 | 8.64 | 3.962 | 0.399 | |
HA3 | 52247 | -3.936 | 7.69 | 3.888 | 0.408 | |
C | 49990 | 1.000 | 189.533 | 173.837 | 3.512 | |
CA | 69909 | 2.200 | 344.994 | 45.378 | 2.228 | |
N | 73627 | 0.2 | 791 | 109.704 | 7.278 | |
HIS | H | 22569 | -0.3 | 13.34 | 8.259 | 0.735 |
HA | 16717 | 0.676 | 11.38 | 4.616 | 0.564 | |
HB2 | 15631 | -2.168 | 45.897 | 3.160 | 1.125 | |
HB3 | 15196 | -6.2 | 38.5 | 3.098 | 1.079 | |
HD1 | 984 | -15 | 86.5 | 10.070 | 8.702 | |
HD2 | 11173 | -25.85 | 67.8 | 7.156 | 3.325 | |
HE1 | 8819 | -26.6 | 134.811 | 7.826 | 2.579 | |
HE2 | 376 | -15 | 76.4 | 11.132 | 8.016 | |
C | 14001 | 1.000 | 185.512 | 175.149 | 4.390 | |
CA | 20285 | 11.40 | 355.084 | 56.527 | 3.460 | |
CB | 19043 | 17.80 | 329.046 | 30.326 | 3.237 | |
CD2 | 7209 | 7.19 | 159.946 | 119.914 | 5.779 | |
CE1 | 5674 | 8.198 | 166.282 | 137.237 | 5.823 | |
CG | 218 | 60.973 | 139.83 | 131.348 | 7.177 | |
N | 20991 | 0.2 | 427.146 | 119.680 | 5.162 | |
ND1 | 773 | 31.026 | 261.013 | 193.072 | 33.057 | |
NE2 | 707 | 17.0 | 257.572 | 181.264 | 20.764 | |
ILE | H | 54560 | 0.008 | 11.871 | 8.264 | 0.694 |
HA | 38860 | -9.0 | 173.538 | 4.169 | 1.029 | |
HB | 36734 | -2.442 | 38.700 | 1.782 | 0.404 | |
HG12 | 33458 | -10.1 | 5.56 | 1.263 | 0.456 | |
HG13 | 32181 | -10.1 | 9.71 | 1.192 | 0.488 | |
MD | 36474 | -4.15 | 13.891 | 0.670 | 0.336 | |
MG | 35104 | -3.919 | 6.23 | 0.768 | 0.308 | |
C | 35139 | 0 | 187.551 | 175.812 | 4.222 | |
CA | 48743 | 20.877 | 362.184 | 61.619 | 3.405 | |
CB | 45601 | -34.477 | 339.785 | 38.595 | 2.991 | |
CD1 | 32549 | 2.7 | 314.600 | 13.518 | 3.576 | |
CG1 | 29473 | 8.0 | 329.288 | 27.754 | 3.419 | |
CG2 | 31280 | 0.79 | 317.615 | 17.616 | 3.325 | |
N | 52008 | 0.0000 | 531 | 121.442 | 6.140 | |
LEU | H | 90315 | -0.3 | 13.220 | 8.219 | 0.653 |
HA | 63937 | 0.000 | 119.411 | 4.304 | 0.654 | |
HB2 | 58937 | -1.522 | 8.02 | 1.607 | 0.362 | |
HB3 | 56552 | -1.79 | 8.39 | 1.522 | 0.378 | |
HG | 52336 | -2.08 | 5.7 | 1.502 | 0.348 | |
MD1 | 59266 | -3.42 | 30.176 | 0.748 | 0.334 | |
MD2 | 56966 | -3.42 | 24.504 | 0.726 | 0.364 | |
C | 58176 | 0.071 | 189.78 | 176.994 | 3.505 | |
CA | 80430 | 1.056 | 158.320 | 55.651 | 2.245 | |
CB | 75329 | 7.439 | 93.180 | 42.261 | 2.024 | |
CD1 | 51165 | 0.683 | 120.700 | 24.683 | 2.073 | |
CD2 | 48811 | 0.280 | 116.300 | 24.118 | 2.159 | |
CG | 45450 | 0.000 | 75.280 | 26.808 | 1.517 | |
N | 85820 | 0.044 | 627 | 121.972 | 8.045 | |
LYS | H | 76365 | 0.002 | 64.423 | 8.174 | 0.651 |
HA | 55276 | -0.118 | 32.650 | 4.259 | 0.458 | |
HB2 | 49926 | -1.416 | 10.94 | 1.773 | 0.267 | |
HB3 | 47050 | -3.038 | 9.43 | 1.745 | 0.284 | |
HD2 | 40156 | -1.6800 | 119.620 | 1.607 | 0.659 | |
HD3 | 35940 | -2.02 | 29.047 | 1.595 | 0.275 | |
HE2 | 39522 | -0.493 | 42.02 | 2.910 | 0.293 | |
HE3 | 34757 | -0.046 | 7.344 | 2.903 | 0.224 | |
HG2 | 45210 | -1.654 | 6.7 | 1.363 | 0.272 | |
HG3 | 41649 | -1.83 | 5.575 | 1.347 | 0.283 | |
C | 47079 | 0.112 | 996.253 | 176.610 | 5.787 | |
CA | 65742 | 1.155 | 359.222 | 56.947 | 3.283 | |
CB | 61391 | -26.686 | 332.988 | 32.805 | 3.005 | |
CD | 36325 | 0.834 | 329.284 | 28.997 | 2.705 | |
CE | 35050 | -0.130 | 342.334 | 41.927 | 3.134 | |
CG | 38519 | 12.109 | 325.487 | 24.967 | 3.222 | |
N | 70995 | 0.041 | 427.245 | 121.041 | 4.781 | |
NZ | 283 | 1.950 | 177.2 | 50.251 | 31.760 | |
QZ | 1538 | -10.9 | 10.506 | 7.329 | 1.070 | |
MET | H | 21572 | -0.21 | 177 | 8.258 | 1.303 |
HA | 15808 | -0.93 | 313.565 | 4.411 | 2.506 | |
HB2 | 14217 | -27.312 | 33.750 | 2.022 | 0.594 | |
HB3 | 13409 | -27.312 | 12.94 | 1.993 | 0.531 | |
HG2 | 13055 | -33.86 | 32.7 | 2.372 | 1.498 | |
HG3 | 12347 | -33.86 | 31.7 | 2.345 | 1.613 | |
ME | 9997 | -24.86 | 10.2000 | 1.766 | 1.606 | |
C | 14216 | 2.200 | 183.25 | 176.199 | 3.198 | |
CA | 20134 | 25.7283 | 85.327 | 56.145 | 2.302 | |
CB | 18615 | 0.2 | 332.173 | 32.973 | 3.298 | |
CE | 8972 | 8.90 | 317.645 | 17.260 | 4.365 | |
CG | 11119 | 2.30 | 332.686 | 32.072 | 3.320 | |
N | 20754 | 0.000 | 428.252 | 120.055 | 5.127 | |
PHE | H | 39232 | -0.5 | 12.1759 | 8.340 | 0.734 |
HA | 27500 | 1.33 | 59.70 | 4.618 | 0.736 | |
HB2 | 25736 | -0.463 | 7.979 | 2.992 | 0.382 | |
HB3 | 25098 | -0.212 | 12.72 | 2.934 | 0.402 | |
HD1 | 21766 | 0.603 | 12.154 | 7.035 | 0.403 | |
HD2 | 18304 | 0.603 | 12.154 | 7.036 | 0.417 | |
HE1 | 19025 | -2.838 | 14.080 | 7.060 | 0.459 | |
HE2 | 16185 | 0 | 12.9 | 7.057 | 0.455 | |
HZ | 13386 | -7.14 | 43.623 | 6.992 | 0.729 | |
C | 24727 | 0.088 | 184.929 | 175.453 | 3.141 | |
CA | 34398 | 4.917 | 363.618 | 58.114 | 3.909 | |
CB | 32344 | 2.161 | 341.700 | 39.967 | 3.711 | |
CD1 | 12935 | 7.160 | 143.4500 | 131.167 | 6.077 | |
CD2 | 9226 | 7.160 | 138.7 | 131.324 | 4.547 | |
CE1 | 11277 | 0.000 | 149.609 | 130.310 | 5.918 | |
CE2 | 8035 | 7.472 | 149.609 | 130.534 | 3.989 | |
CG | 366 | 7.229 | 152.844 | 137.497 | 10.892 | |
CZ | 8450 | 7.351 | 165.611 | 129.006 | 4.266 | |
N | 37042 | 0.067 | 422.843 | 120.406 | 5.543 | |
PRO | H2 | 5 | 8.070 | 9.673 | 8.756 | 0.710 |
HA | 31376 | 0.636 | 135.80 | 4.388 | 0.822 | |
HB2 | 29250 | -1.501 | 5.63 | 2.069 | 0.371 | |
HB3 | 28395 | -3.48 | 6.10 | 1.996 | 0.383 | |
HD2 | 27088 | -6.56 | 7.67 | 3.635 | 0.452 | |
HD3 | 26154 | -6.56 | 8.865 | 3.600 | 0.475 | |
HG2 | 26374 | -2.35 | 7.395 | 1.918 | 0.343 | |
HG3 | 24503 | -1.520 | 4.92 | 1.894 | 0.352 | |
C | 26206 | 0 | 183.517 | 176.644 | 4.293 | |
CA | 37769 | 0 | 363.087 | 63.331 | 3.739 | |
CB | 35302 | 0 | 333.586 | 31.897 | 3.270 | |
CD | 23603 | 1.155 | 350.648 | 50.345 | 3.298 | |
CG | 23514 | 2.436 | 327.402 | 27.283 | 3.828 | |
N | 1785 | 3.566 | 430 | 134.495 | 26.620 | |
SER | H | 66097 | -15.3 | 13.13 | 8.278 | 0.604 |
HA | 48080 | 1.277 | 58.739 | 4.478 | 0.479 | |
HB2 | 44152 | 0.61 | 9.182 | 3.868 | 0.279 | |
HB3 | 40970 | 0.61 | 41.7 | 3.842 | 0.347 | |
HG | 863 | 0.13 | 11.36 | 5.434 | 1.204 | |
C | 42818 | 0.000 | 197.1 | 174.598 | 3.140 | |
CA | 60195 | 4.331 | 361.278 | 58.700 | 2.859 | |
CB | 55911 | -939.2800 | 365.087 | 63.721 | 5.165 | |
N | 62366 | 0.000 | 416.964 | 116.300 | 4.306 | |
THR | H | 58905 | 0.02 | 21.7 | 8.235 | 0.641 |
HA | 42051 | 0.87 | 7.468 | 4.452 | 0.481 | |
HB | 38761 | 0.087 | 71.587 | 4.167 | 0.667 | |
HG1 | 1524 | -1.783 | 11.01 | 5.228 | 1.404 | |
MG | 38618 | -12.1 | 16.3 | 1.138 | 0.281 | |
C | 37220 | 4.780 | 185.918 | 174.475 | 3.928 | |
CA | 52076 | 0.971 | 92.659 | 62.210 | 2.771 | |
CB | 48435 | -939.2800 | 629.206 | 69.591 | 5.843 | |
CG2 | 32507 | 7.177 | 175.6 | 21.590 | 1.931 | |
N | 55830 | 0.0 | 402 | 115.428 | 6.437 | |
TRP | H | 13058 | 3.421 | 17.315 | 8.269 | 0.782 |
HA | 9339 | 2.043 | 11.414 | 4.680 | 0.536 | |
HB2 | 8865 | 0.42 | 5.35 | 3.180 | 0.351 | |
HB3 | 8627 | -0.3776 | 7.972 | 3.117 | 0.372 | |
HD1 | 7945 | 1.880 | 10.75 | 7.128 | 0.365 | |
HE1 | 8742 | -1.279 | 131.711 | 10.090 | 1.475 | |
HE3 | 6898 | 1.85 | 11.362 | 7.296 | 0.521 | |
HH2 | 6839 | 2.84 | 10.900 | 6.950 | 0.459 | |
HZ2 | 7453 | 2.63 | 10.81 | 7.264 | 0.416 | |
HZ3 | 6661 | 0.76 | 8.898 | 6.847 | 0.476 | |
C | 7854 | 2.500 | 184.30 | 176.089 | 4.485 | |
CA | 10987 | 2.966 | 362.099 | 57.720 | 4.940 | |
CB | 10315 | 1.6 | 328.795 | 30.103 | 4.921 | |
CD1 | 5040 | 30.236 | 183.141 | 126.312 | 4.550 | |
CD2 | 175 | 1.578 | 155.174 | 126.932 | 13.527 | |
CE2 | 233 | 56.4176 | 177.710 | 137.596 | 9.790 | |
CE3 | 4209 | -10.872 | 174.807 | 120.152 | 5.661 | |
CG | 234 | 4.174 | 116.526 | 110.038 | 9.456 | |
CH2 | 4443 | -6.333 | 160.818 | 123.520 | 5.134 | |
CZ2 | 4797 | 7.107 | 159.041 | 114.023 | 4.709 | |
CZ3 | 4240 | -8.702 | 161.540 | 121.139 | 4.751 | |
N | 11871 | 6.712 | 423.160 | 121.662 | 6.169 | |
NE1 | 7148 | 0.53 | 435.960 | 129.269 | 6.439 | |
TYR | H | 33438 | 0.02 | 12.34 | 8.297 | 0.740 |
HA | 23764 | 0.442 | 7.160 | 4.610 | 0.564 | |
HB2 | 22252 | -21.230 | 23.28 | 2.898 | 0.470 | |
HB3 | 21744 | -21.230 | 23.28 | 2.833 | 0.488 | |
HD1 | 19322 | 0.190 | 10.5 | 6.919 | 0.376 | |
HD2 | 16424 | 0.5522 | 10.499 | 6.915 | 0.381 | |
HE1 | 18319 | 0.08 | 11.8 | 6.690 | 0.312 | |
HE2 | 15669 | 0.43 | 11.7 | 6.690 | 0.323 | |
HH | 431 | -0.788 | 31 | 9.095 | 2.099 | |
C | 20516 | 2.200 | 184.78 | 175.390 | 4.392 | |
CA | 28662 | 2.200 | 357.681 | 58.152 | 3.138 | |
CB | 26645 | 18.38 | 338.686 | 39.313 | 3.142 | |
CD1 | 11676 | 19.589 | 141.572 | 132.361 | 5.287 | |
CD2 | 8004 | 3.492 | 139.644 | 132.359 | 5.277 | |
CE1 | 11493 | 40.435 | 177.717 | 117.711 | 4.127 | |
CE2 | 7914 | 34.1221 | 154.10 | 117.763 | 3.424 | |
CG | 343 | 7.113 | 175.115 | 128.466 | 10.503 | |
CZ | 269 | 6.839 | 165.718 | 155.405 | 14.171 | |
N | 30983 | 0.2 | 818 | 120.791 | 12.408 | |
VAL | H | 71912 | -0.41 | 15.050 | 8.273 | 0.682 |
HA | 51249 | -2.83 | 54.971 | 4.168 | 0.632 | |
HB | 48067 | -27.480 | 31.75 | 1.978 | 0.457 | |
MG1 | 47888 | -27.2 | 24.20 | 0.820 | 0.337 | |
MG2 | 46976 | -27.2 | 56.56 | 0.800 | 0.437 | |
C | 46619 | 1 | 205.699 | 175.651 | 2.975 | |
CA | 64210 | 20.668 | 362.057 | 62.494 | 3.217 | |
CB | 59664 | 15.597025 | 331.747 | 32.729 | 2.323 | |
CG1 | 41804 | -7.4 | 321.185 | 21.553 | 2.488 | |
CG2 | 40318 | -5.648 | 320.420 | 21.348 | 2.585 | |
N | 68937 | 0.2 | 529 | 121.167 | 7.560 |