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 | Shift Outliers | Distribution Histogram |
---|---|---|---|---|---|---|---|---|
ALA | H | 102849 | -0.914 | 131.25 | 8.193 | 0.825 | 194 | |
HA | 65165 | -2.52 | 17.870 | 4.243 | 0.439 | 1274 | ||
HN | 1 | 8.32 | 8.32 | 8.320 | ||||
MB | 63130 | -14.040 | 5.48 | 1.353 | 0.276 | 1142 | ||
C | 66360 | 0.037 | 187.2 | 177.753 | 3.559 | 44 | ||
CA | 90620 | 17.007 | 354.698 | 53.157 | 2.661 | 94 | ||
CB | 86104 | -40.993 | 318.868 | 19.028 | 2.911 | 216 | ||
N | 98782 | 0.049 | 766 | 123.362 | 5.742 | 115 | ||
ARG | H | 67927 | 0.011 | 178 | 8.239 | 0.996 | 44 | |
HA | 44485 | 1.212 | 12.57 | 4.287 | 0.465 | 536 | ||
HB2 | 40186 | -4.78 | 27.530 | 1.789 | 0.308 | 523 | ||
HB3 | 37976 | -2.880 | 27.530 | 1.760 | 0.319 | 546 | ||
HD2 | 35204 | -6.44 | 5.0 | 3.108 | 0.264 | 695 | ||
HD3 | 32085 | -0.690 | 44.092 | 3.094 | 0.364 | 389 | ||
HE | 11876 | 1.150 | 116.661 | 7.443 | 2.725 | 7 | ||
HG2 | 35834 | -1.45 | 4.2 | 1.559 | 0.282 | 662 | ||
HG3 | 33241 | -1.298 | 5.47 | 1.541 | 0.297 | 689 | ||
HH11 | 1001 | 4.41 | 11.7 | 6.932 | 0.569 | 22 | ||
HH12 | 763 | 4.41 | 10.727 | 6.879 | 0.536 | 18 | ||
HH21 | 860 | 1.233 | 11.352 | 6.828 | 0.645 | 19 | ||
HH22 | 710 | 1.233 | 60.1410 | 6.906 | 2.099 | 1 | ||
C | 41648 | 0.174 | 184.96 | 176.433 | 3.214 | 14 | ||
CA | 58749 | 8.369 | 358.124 | 56.778 | 3.199 | 66 | ||
CB | 54476 | 15.013 | 329.120 | 30.670 | 2.412 | 153 | ||
CD | 30724 | 18.9350 | 342.642 | 43.200 | 2.809 | 47 | ||
CG | 30495 | 1.0 | 328.290 | 27.252 | 2.916 | 56 | ||
CZ | 859 | 43.199 | 184.497 | 160.066 | 7.035 | 9 | ||
N | 63597 | 0.125 | 433.808 | 120.839 | 4.587 | 101 | ||
NE | 7386 | -23.150 | 149.1080 | 89.954 | 13.532 | 58 | ||
NH1 | 302 | 6.450 | 124.7890 | 78.903 | 13.589 | 6 | ||
NH2 | 262 | 66.2 | 128.470 | 78.796 | 14.003 | 7 | ||
ASN | H | 56060 | 0.008 | 118.641 | 8.354 | 1.931 | 22 | |
HA | 36545 | 0.896 | 7.110 | 4.660 | 0.360 | 500 | ||
HB2 | 34142 | -0.827 | 8.883 | 2.799 | 0.334 | 543 | ||
HB3 | 32964 | -0.948 | 5.958 | 2.744 | 0.355 | 549 | ||
HD21 | 25442 | 0.687 | 111.320 | 7.337 | 0.827 | 53 | ||
HD22 | 25122 | 0.905 | 111.320 | 7.144 | 0.843 | 115 | ||
C | 35149 | 0.114 | 187.551 | 175.221 | 3.478 | 21 | ||
CA | 49331 | 2.200 | 354.022 | 53.536 | 3.318 | 35 | ||
CB | 46632 | 1.9620 | 342.798 | 38.714 | 3.375 | 51 | ||
CG | 2949 | 0.000 | 185.503 | 176.221 | 8.805 | 12 | ||
N | 53085 | 0.041 | 426.314 | 118.920 | 5.285 | 41 | ||
ND2 | 22065 | 21.038 | 1114.29 | 112.875 | 12.151 | 12 | ||
ASP | H | 80640 | -0.35 | 25.876 | 8.296 | 0.582 | 677 | |
HA | 51197 | -3.75 | 8.66 | 4.583 | 0.324 | 750 | ||
HB2 | 47566 | -5.2 | 37.4 | 2.716 | 0.494 | 100 | ||
HB3 | 45657 | -1.46 | 37.2 | 2.666 | 0.501 | 119 | ||
HD2 | 22 | 0.968 | 12.30 | 5.611 | 3.198 | |||
C | 51496 | 0.106 | 184.14 | 176.367 | 3.381 | 27 | ||
CA | 70911 | 5.630 | 354.531 | 54.678 | 2.622 | 74 | ||
CB | 66993 | 9.7 | 341.273 | 40.879 | 2.440 | 172 | ||
CG | 1124 | 2.637 | 188.215 | 177.319 | 17.566 | 14 | ||
N | 77813 | 0.061 | 428.093 | 120.715 | 4.519 | 120 | ||
CYS | H | 27087 | 3.723 | 12.660 | 8.374 | 0.694 | 160 | |
HA | 21171 | -9.858 | 43.5 | 4.677 | 0.947 | 70 | ||
HB2 | 20349 | -39.82 | 363.580 | 3.121 | 6.092 | 43 | ||
HB3 | 19829 | -44.2 | 363.580 | 3.045 | 5.523 | 43 | ||
HG | 293 | -1.830 | 10.700 | 2.077 | 1.387 | 6 | ||
C | 13067 | 1.000 | 187.591 | 174.750 | 3.323 | 10 | ||
CA | 19854 | 30.6688 | 90.374 | 57.990 | 3.491 | 24 | ||
CB | 18879 | 17.850 | 111.008 | 33.459 | 6.659 | 21 | ||
N | 21915 | -147 | 628 | 120.343 | 16.985 | 82 | ||
GLN | H | 58852 | 0.000 | 122.824 | 8.243 | 1.881 | 23 | |
HA | 36914 | 0.000 | 7.43 | 4.263 | 0.428 | 616 | ||
HB2 | 33371 | -1.514 | 10.461 | 2.043 | 0.273 | 449 | ||
HB3 | 31696 | -1.4980 | 20.9 | 2.015 | 0.320 | 380 | ||
HE21 | 23384 | -3.41 | 23.893 | 7.223 | 0.499 | 199 | ||
HE22 | 23103 | 0.000 | 113.695 | 7.036 | 0.854 | 35 | ||
HG2 | 31054 | -1.76 | 33.5990 | 2.314 | 0.330 | 370 | ||
HG3 | 28764 | -1.395 | 34.946 | 2.295 | 0.353 | 409 | ||
C | 37917 | 0.069 | 1755.998 | 176.333 | 8.822 | 16 | ||
CA | 52160 | 1.733 | 356.830 | 56.549 | 2.543 | 53 | ||
CB | 48477 | 1.843 | 328.286 | 29.176 | 2.418 | 160 | ||
CD | 2944 | 6.789 | 190.624 | 179.336 | 7.204 | 7 | ||
CG | 27968 | 2.097 | 333.032 | 33.809 | 2.451 | 44 | ||
N | 56754 | 0.000 | 418.059 | 119.979 | 4.417 | 109 | ||
NE2 | 21107 | 33.9 | 412.160 | 111.874 | 2.916 | 70 | ||
GLU | H | 104253 | 0.008 | 123.2260 | 8.329 | 0.802 | 250 | |
HA | 66700 | 0.433 | 8.02 | 4.240 | 0.409 | 1224 | ||
HB2 | 60081 | -1.470 | 4.82 | 2.018 | 0.221 | 855 | ||
HB3 | 56516 | -1.633 | 8.095 | 1.995 | 0.227 | 816 | ||
HE2 | 39 | 0.801 | 11.96 | 4.820 | 1.895 | 1 | ||
HG2 | 55317 | -0.674 | 4.69 | 2.265 | 0.220 | 918 | ||
HG3 | 51516 | -0.10 | 4.69 | 2.246 | 0.222 | 833 | ||
C | 67584 | 0.074 | 184.71 | 176.844 | 4.073 | 45 | ||
CA | 91680 | 1.056 | 360.826 | 57.323 | 3.127 | 83 | ||
CB | 85465 | 9.08 | 330.834 | 29.993 | 2.981 | 136 | ||
CD | 1197 | 0.000 | 198.609 | 181.201 | 13.689 | 8 | ||
CG | 50085 | 6.16 | 337.230 | 36.143 | 2.836 | 69 | ||
N | 100890 | 0.044 | 422.043 | 120.740 | 4.508 | 138 | ||
GLY | H | 101959 | -15.3 | 121.881 | 8.326 | 0.815 | 597 | |
H1 | 2 | 8.373 | 8.677 | 8.525 | 0.215 | |||
HA2 | 63816 | -3.4 | 8.64 | 3.960 | 0.395 | 1032 | ||
HA3 | 60651 | -3.936 | 43.9930 | 3.891 | 0.432 | 861 | ||
C | 64459 | 1.000 | 189.533 | 173.827 | 3.573 | 65 | ||
CA | 90227 | 2.200 | 344.994 | 45.367 | 2.111 | 185 | ||
N | 96880 | 0.2 | 791 | 109.639 | 6.592 | 254 | ||
HIS | H | 28678 | -0.3 | 13.34 | 8.253 | 0.723 | 296 | |
HA | 19199 | 0.676 | 11.38 | 4.615 | 0.555 | 240 | ||
HB2 | 17834 | -2.168 | 45.897 | 3.154 | 1.076 | 132 | ||
HB3 | 17292 | -6.2 | 38.5 | 3.097 | 1.047 | 140 | ||
HD1 | 1100 | -15 | 86.5 | 9.857 | 8.275 | 27 | ||
HD2 | 12449 | -25.85 | 67.8 | 7.138 | 3.154 | 90 | ||
HE1 | 9783 | -26.6 | 134.811 | 7.841 | 2.454 | 70 | ||
HE2 | 412 | -15 | 76.4 | 11.071 | 7.682 | 11 | ||
C | 17665 | 1.000 | 184.204 | 175.150 | 4.420 | 15 | ||
CA | 25366 | 11.40 | 355.084 | 56.507 | 3.278 | 66 | ||
CB | 23753 | 13.496 | 329.046 | 30.313 | 3.050 | 70 | ||
CD2 | 8197 | 7.19 | 159.946 | 119.910 | 5.500 | 59 | ||
CE1 | 6433 | 8.198 | 166.282 | 137.258 | 5.512 | 61 | ||
CG | 324 | 18.669 | 139.83 | 131.458 | 8.789 | 3 | ||
N | 27059 | 0.2 | 427.146 | 119.683 | 5.097 | 47 | ||
ND1 | 885 | 31.026 | 261.013 | 191.532 | 33.164 | 2 | ||
NE2 | 792 | 17.0 | 257.572 | 180.854 | 20.083 | 21 | ||
ILE | H | 70218 | 0.008 | 11.871 | 8.257 | 0.690 | 368 | |
HA | 45023 | -9.0 | 173.538 | 4.163 | 0.976 | 7 | ||
HB | 42228 | -2.442 | 38.700 | 1.785 | 0.390 | 245 | ||
HG12 | 38218 | -10.1 | 5.56 | 1.263 | 0.447 | 301 | ||
HG13 | 36754 | -10.1 | 9.71 | 1.196 | 0.479 | 272 | ||
MD | 43534 | -4.15 | 13.891 | 0.674 | 0.326 | 697 | ||
MG | 40488 | -3.919 | 6.23 | 0.770 | 0.302 | 645 | ||
C | 44803 | 0 | 187.551 | 175.834 | 4.280 | 31 | ||
CA | 61980 | 20.877 | 362.184 | 61.641 | 3.268 | 66 | ||
CB | 57491 | -34.477 | 339.785 | 38.555 | 2.805 | 96 | ||
CD1 | 39674 | 1.358 | 314.600 | 13.489 | 3.318 | 117 | ||
CG1 | 34571 | 8.0 | 329.288 | 27.769 | 3.219 | 165 | ||
CG2 | 36821 | 0.79 | 317.615 | 17.601 | 3.150 | 121 | ||
N | 67658 | 0.0000 | 531 | 121.434 | 5.889 | 133 | ||
LEU | H | 116853 | -0.3 | 119.596 | 8.217 | 0.725 | 397 | |
H1 | 1 | 7.340 | 7.340 | 7.340 | ||||
HA | 74320 | 0.000 | 119.411 | 4.300 | 0.628 | 82 | ||
HB2 | 68058 | -1.800 | 8.02 | 1.608 | 0.358 | 883 | ||
HB3 | 65250 | -1.79 | 1579.0 | 1.549 | 6.187 | 1 | ||
HG | 59697 | -2.08 | 5.965 | 1.503 | 0.348 | 744 | ||
HN | 2 | 7.62 | 7.76 | 7.690 | 0.099 | |||
MD1 | 70013 | -3.42 | 30.176 | 0.747 | 0.327 | 1109 | ||
MD2 | 67439 | -3.42 | 24.59 | 0.729 | 0.383 | 656 | ||
C | 74549 | 0.071 | 189.78 | 177.016 | 3.514 | 32 | ||
CA | 102874 | 1.056 | 158.320 | 55.655 | 2.213 | 210 | ||
CB | 95615 | 7.439 | 93.180 | 42.220 | 1.987 | 639 | ||
CD1 | 61507 | 0.438 | 120.700 | 24.654 | 2.010 | 233 | ||
CD2 | 58814 | 0.280 | 116.300 | 24.130 | 2.085 | 183 | ||
CG | 52950 | 0.000 | 75.280 | 26.804 | 1.463 | 404 | ||
N | 112160 | 0.044 | 627 | 121.942 | 7.386 | 113 | ||
LYS | H | 98610 | 0.002 | 123.7085 | 8.190 | 1.532 | 34 | |
HA | 64368 | -0.118 | 32.650 | 4.256 | 0.451 | 725 | ||
HB2 | 57761 | -1.416 | 10.94 | 1.775 | 0.264 | 942 | ||
HB3 | 54418 | -3.038 | 9.43 | 1.748 | 0.279 | 894 | ||
HD2 | 46155 | -1.6800 | 119.620 | 1.608 | 0.620 | 36 | ||
HD3 | 41511 | -2.02 | 29.047 | 1.597 | 0.271 | 599 | ||
HE2 | 45471 | -0.493 | 42.02 | 2.911 | 0.281 | 524 | ||
HE3 | 40103 | -0.046 | 7.344 | 2.904 | 0.220 | 843 | ||
HG2 | 52072 | -1.654 | 8.362 | 1.364 | 0.271 | 1043 | ||
HG3 | 48130 | -1.83 | 5.575 | 1.350 | 0.279 | 999 | ||
HZ | 5 | 7.666 | 7.989 | 7.826 | 0.158 | |||
C | 60373 | 0.112 | 996.253 | 176.633 | 5.368 | 39 | ||
CA | 83989 | 1.155 | 359.222 | 56.953 | 3.072 | 77 | ||
CB | 78239 | -26.686 | 332.988 | 32.768 | 2.782 | 116 | ||
CD | 42515 | 0.834 | 329.284 | 28.996 | 2.535 | 80 | ||
CE | 40933 | -0.130 | 342.334 | 41.927 | 2.917 | 73 | ||
CG | 45240 | 12.109 | 325.487 | 24.956 | 2.997 | 98 | ||
N | 92797 | 0.041 | 427.245 | 121.047 | 4.764 | 139 | ||
NZ | 348 | 1.950 | 177.2 | 50.983 | 33.193 | 3 | ||
QZ | 1790 | -10.9 | 10.506 | 7.351 | 1.010 | 45 | ||
MET | H | 27737 | -0.21 | 177 | 8.255 | 1.180 | 22 | |
HA | 18405 | -0.93 | 313.565 | 4.409 | 2.329 | 1 | ||
HB2 | 16423 | -27.312 | 33.750 | 2.025 | 0.564 | 92 | ||
HB3 | 15440 | -27.312 | 12.94 | 1.996 | 0.507 | 119 | ||
HG2 | 15060 | -33.86 | 32.7 | 2.381 | 1.401 | 49 | ||
HG3 | 14233 | -33.86 | 31.7 | 2.356 | 1.508 | 49 | ||
ME | 11848 | -24.86 | 10.2000 | 1.785 | 1.481 | 89 | ||
C | 18407 | 2.200 | 183.25 | 176.210 | 3.214 | 7 | ||
CA | 25896 | 25.7283 | 85.327 | 56.133 | 2.271 | 63 | ||
CB | 23850 | 0.2 | 332.173 | 32.952 | 3.071 | 57 | ||
CE | 10833 | 0.000 | 317.645 | 17.239 | 4.020 | 56 | ||
CG | 13098 | 2.30 | 332.686 | 32.068 | 3.107 | 33 | ||
N | 26994 | 0.000 | 428.252 | 120.098 | 4.875 | 46 | ||
PHE | H | 49755 | -0.5 | 12.357 | 8.333 | 0.730 | 319 | |
HA | 31799 | 1.33 | 59.70 | 4.614 | 0.713 | 29 | ||
HB2 | 29559 | -0.463 | 7.979 | 2.994 | 0.379 | 400 | ||
HB3 | 28810 | -0.212 | 12.72 | 2.937 | 0.396 | 428 | ||
HD1 | 24582 | 0.603 | 12.154 | 7.040 | 0.393 | 244 | ||
HD2 | 20863 | 0.603 | 12.154 | 7.041 | 0.405 | 205 | ||
HE1 | 21409 | -2.838 | 14.080 | 7.065 | 0.444 | 181 | ||
HE2 | 18382 | 0 | 12.9 | 7.064 | 0.439 | 167 | ||
HZ | 14921 | -7.14 | 43.623 | 6.995 | 0.702 | 122 | ||
C | 31342 | 0.088 | 184.929 | 175.451 | 2.924 | 12 | ||
CA | 43480 | 4.917 | 363.618 | 58.111 | 3.665 | 40 | ||
CB | 40697 | 2.161 | 341.700 | 39.916 | 3.429 | 53 | ||
CD1 | 14910 | 7.160 | 148.7280 | 131.207 | 5.749 | 71 | ||
CD2 | 10512 | 7.160 | 140.309 | 131.344 | 4.401 | 36 | ||
CE1 | 12961 | 0.000 | 149.609 | 130.351 | 5.705 | 62 | ||
CE2 | 9133 | 7.307 | 149.609 | 130.544 | 4.096 | 36 | ||
CG | 511 | 7.229 | 156.3 | 137.458 | 10.616 | 4 | ||
CZ | 9627 | 7.351 | 165.611 | 129.035 | 4.103 | 34 | ||
N | 47447 | 0.067 | 422.843 | 120.398 | 5.423 | 70 | ||
PRO | H | 8 | 7.808 | 8.995 | 8.389 | 0.408 | ||
H2 | 5 | 8.070 | 9.673 | 8.756 | 0.710 | |||
HA | 36378 | 0.636 | 135.80 | 4.386 | 0.772 | 48 | ||
HB2 | 33560 | -1.501 | 5.63 | 2.069 | 0.369 | 589 | ||
HB3 | 32552 | -3.48 | 6.10 | 1.998 | 0.381 | 605 | ||
HD2 | 30911 | -6.56 | 7.67 | 3.637 | 0.441 | 458 | ||
HD3 | 29821 | -6.56 | 8.353 | 3.603 | 0.461 | 547 | ||
HG2 | 30046 | -2.35 | 7.395 | 1.919 | 0.339 | 723 | ||
HG3 | 27944 | -1.520 | 4.92 | 1.896 | 0.349 | 670 | ||
C | 33921 | 0 | 183.517 | 176.659 | 4.102 | 31 | ||
CA | 47961 | 0 | 363.087 | 63.329 | 3.424 | 87 | ||
CB | 44527 | 0 | 333.586 | 31.874 | 2.973 | 78 | ||
CD | 27499 | 1.155 | 350.648 | 50.344 | 3.082 | 63 | ||
CG | 27445 | 2.436 | 327.402 | 27.268 | 3.568 | 44 | ||
N | 2808 | 0.140 | 430 | 134.778 | 21.677 | 39 | ||
SER | H | 85694 | -15.3 | 116.95709 | 8.274 | 0.697 | 381 | |
HA | 55519 | 1.277 | 58.739 | 4.474 | 0.467 | 502 | ||
HB2 | 50617 | 0.61 | 9.182 | 3.868 | 0.275 | 797 | ||
HB3 | 46989 | 0.61 | 41.7 | 3.845 | 0.336 | 555 | ||
HG | 1063 | 0.13 | 11.36 | 5.396 | 1.174 | 26 | ||
HN | 1 | 7.91 | 7.91 | 7.910 | ||||
C | 55328 | 0.000 | 197.1 | 174.558 | 3.654 | 41 | ||
CA | 77419 | 4.331 | 361.278 | 58.683 | 2.697 | 87 | ||
CB | 71610 | -939.2800 | 365.087 | 63.723 | 4.635 | 180 | ||
N | 82013 | 0.000 | 416.964 | 116.291 | 4.106 | 284 | ||
THR | H | 75780 | 0.02 | 21.7 | 8.226 | 0.632 | 653 | |
HA | 48525 | 0.87 | 7.468 | 4.448 | 0.476 | 293 | ||
HB | 44282 | 0.087 | 71.587 | 4.170 | 0.634 | 91 | ||
HG1 | 1827 | -1.783 | 11.01 | 5.165 | 1.428 | 33 | ||
MG | 44311 | -12.1 | 16.3 | 1.139 | 0.273 | 576 | ||
C | 47767 | 4.780 | 185.918 | 174.463 | 3.931 | 38 | ||
CA | 66631 | 0.971 | 92.659 | 62.204 | 2.730 | 127 | ||
CB | 61590 | -939.2800 | 629.206 | 69.598 | 5.262 | 170 | ||
CG2 | 38094 | 7.177 | 175.6 | 21.592 | 1.855 | 126 | ||
N | 72651 | 0.0 | 402 | 115.362 | 6.115 | 78 | ||
TRP | H | 16425 | 3.421 | 17.315 | 8.262 | 0.783 | 111 | |
HA | 10697 | 2.043 | 172.573 | 4.688 | 1.708 | 2 | ||
HB2 | 10075 | 0.42 | 5.35 | 3.177 | 0.347 | 151 | ||
HB3 | 9788 | -0.3776 | 7.972 | 3.117 | 0.371 | 153 | ||
HD1 | 8915 | 1.880 | 10.75 | 7.128 | 0.360 | 140 | ||
HE1 | 10090 | -1.279 | 131.711 | 10.098 | 1.389 | 48 | ||
HE3 | 7728 | 1.85 | 12.233 | 7.302 | 0.514 | 138 | ||
HH2 | 7667 | 2.84 | 10.900 | 6.958 | 0.447 | 128 | ||
HZ2 | 8333 | 2.63 | 10.81 | 7.270 | 0.404 | 123 | ||
HZ3 | 7444 | 0.76 | 8.898 | 6.854 | 0.464 | 97 | ||
C | 9917 | 2.500 | 184.30 | 176.020 | 5.638 | 12 | ||
CA | 13869 | 2.966 | 362.099 | 57.733 | 4.539 | 14 | ||
CB | 12810 | 1.6 | 328.795 | 30.039 | 4.506 | 23 | ||
CD1 | 5711 | 30.236 | 183.141 | 126.350 | 4.321 | 23 | ||
CD2 | 199 | 1.578 | 155.174 | 126.678 | 14.721 | 3 | ||
CE2 | 273 | 56.4176 | 177.710 | 137.328 | 9.366 | 6 | ||
CE3 | 4778 | -10.872 | 174.807 | 120.216 | 5.345 | 29 | ||
CG | 283 | 4.174 | 129.700 | 110.298 | 8.746 | 4 | ||
CH2 | 5046 | -6.333 | 160.818 | 123.566 | 4.837 | 22 | ||
CZ2 | 5440 | 7.107 | 159.041 | 114.076 | 4.446 | 32 | ||
CZ3 | 4800 | -8.702 | 161.540 | 121.186 | 4.493 | 22 | ||
N | 15130 | 6.712 | 423.160 | 121.616 | 5.771 | 15 | ||
NE1 | 8289 | 0.53 | 435.960 | 129.272 | 6.028 | 36 | ||
TYR | H | 42829 | 0.02 | 12.34 | 8.283 | 0.736 | 220 | |
HA | 27245 | 0.442 | 7.160 | 4.607 | 0.559 | 225 | ||
HB2 | 25295 | -21.230 | 23.28 | 2.899 | 0.458 | 215 | ||
HB3 | 24673 | -21.230 | 23.28 | 2.835 | 0.475 | 258 | ||
HD1 | 21711 | 0.190 | 10.5 | 6.921 | 0.367 | 257 | ||
HD2 | 18611 | 0.5522 | 10.499 | 6.918 | 0.371 | 220 | ||
HE1 | 20565 | 0.08 | 11.8 | 6.691 | 0.303 | 185 | ||
HE2 | 17737 | 0.43 | 11.7 | 6.692 | 0.313 | 156 | ||
HH | 490 | -0.788 | 31 | 9.023 | 2.083 | 5 | ||
C | 26299 | 2.200 | 184.78 | 175.405 | 4.389 | 22 | ||
CA | 36455 | 2.200 | 357.681 | 58.140 | 3.009 | 28 | ||
CB | 33785 | 18.38 | 338.686 | 39.274 | 3.001 | 55 | ||
CD1 | 13394 | 19.40 | 141.572 | 132.388 | 5.213 | 69 | ||
CD2 | 9187 | 3.492 | 139.644 | 132.395 | 5.177 | 52 | ||
CE1 | 13147 | 40.435 | 182.764 | 117.748 | 3.941 | 112 | ||
CE2 | 9074 | 34.1221 | 154.10 | 117.790 | 3.221 | 73 | ||
CG | 472 | 7.113 | 175.115 | 128.258 | 12.499 | 7 | ||
CZ | 342 | 6.839 | 165.718 | 155.841 | 12.608 | 3 | ||
N | 40261 | 0.2 | 818 | 120.669 | 11.083 | 38 | ||
VAL | H | 92075 | -0.41 | 15.050 | 8.266 | 0.674 | 435 | |
H1 | 1 | 8.025 | 8.025 | 8.025 | ||||
HA | 59032 | -2.83 | 54.971 | 4.165 | 0.622 | 133 | ||
HB | 54857 | -27.480 | 31.75 | 1.981 | 0.438 | 430 | ||
MG1 | 55885 | -27.2 | 24.20 | 0.819 | 0.328 | 642 | ||
MG2 | 55002 | -27.2 | 56.56 | 0.802 | 0.419 | 309 | ||
C | 59539 | 1 | 205.699 | 175.650 | 3.285 | 36 | ||
CA | 81638 | -17.046 | 362.057 | 62.506 | 3.152 | 111 | ||
CB | 75555 | 15.597025 | 331.747 | 32.694 | 2.219 | 159 | ||
CG1 | 49899 | -7.4 | 321.185 | 21.534 | 2.344 | 94 | ||
CG2 | 48258 | -5.648 | 320.420 | 21.346 | 2.440 | 96 | ||
N | 89215 | 0.2 | 529 | 121.137 | 7.015 | 99 |