Statistics Calculated for All Chemical Shifts from Atoms in the 20 Common Amino Acids
Compound ID | Atom Name | Number of Shifts | Minimum Shift | Maximum Shift | Average Shift | Standard Deviation | Shift Outliers | Distribution Histogram | ALA | H | 99730 | -0.914 | 131.25 | 8.193 | 0.832 | 186 |  |
HA | 64207 | -2.52 | 17.870 | 4.244 | 0.440 | 1254 |  |
MB | 62209 | -14.040 | 5.48 | 1.353 | 0.276 | 1134 |  |
C | 64596 | 0.037 | 187.2 | 177.750 | 3.594 | 44 |  |
CA | 88100 | 17.007 | 354.698 | 53.158 | 2.679 | 93 |  |
CB | 83810 | -40.993 | 318.868 | 19.034 | 2.938 | 211 |  |
N | 95654 | 0.049 | 766 | 123.352 | 5.776 | 110 |  |
ARG | H | 65834 | 0.011 | 178 | 8.240 | 1.006 | 44 |  |
HA | 43871 | 1.212 | 12.57 | 4.287 | 0.465 | 530 |  |
HB2 | 39656 | -4.78 | 27.530 | 1.790 | 0.307 | 520 |  |
HB3 | 37472 | -1.350 | 27.530 | 1.760 | 0.318 | 541 |  |
HD2 | 34780 | -6.44 | 5.0 | 3.108 | 0.265 | 688 |  |
HD3 | 31691 | -0.690 | 44.092 | 3.094 | 0.365 | 381 |  |
HE | 11739 | 1.150 | 116.661 | 7.444 | 2.740 | 7 |  |
HG2 | 35366 | -1.45 | 4.2 | 1.558 | 0.283 | 650 |  |
HG3 | 32832 | -1.298 | 5.47 | 1.540 | 0.298 | 680 |  |
HH11 | 991 | 4.41 | 11.7 | 6.934 | 0.571 | 22 |  |
HH12 | 754 | 4.41 | 10.727 | 6.881 | 0.539 | 18 |  |
HH21 | 850 | 1.233 | 11.352 | 6.829 | 0.648 | 19 |  |
HH22 | 700 | 1.233 | 60.1410 | 6.909 | 2.114 | 1 |  |
C | 40482 | 0.174 | 184.96 | 176.433 | 3.214 | 13 |  |
CA | 57080 | 8.369 | 358.124 | 56.777 | 3.223 | 63 |  |
CB | 53003 | 16.52 | 329.120 | 30.673 | 2.427 | 145 |  |
CD | 30330 | 18.9350 | 342.642 | 43.199 | 2.825 | 47 |  |
CG | 30072 | 1.0 | 328.290 | 27.252 | 2.933 | 55 |  |
CZ | 843 | 43.199 | 184.497 | 160.063 | 7.087 | 9 |  |
N | 61512 | 0.125 | 433.808 | 120.826 | 4.621 | 96 |  |
NE | 7313 | -23.150 | 149.1080 | 89.939 | 13.528 | 55 |  |
NH1 | 292 | 6.450 | 124.7890 | 79.111 | 13.771 | 6 |  |
NH2 | 252 | 66.2 | 128.470 | 79.000 | 14.238 | 7 |  |
ASN | H | 54275 | 0.008 | 118.641 | 8.356 | 1.959 | 22 |  |
HA | 36075 | 0.896 | 7.110 | 4.660 | 0.361 | 497 |  |
HB2 | 33727 | -0.827 | 8.883 | 2.799 | 0.333 | 541 |  |
HB3 | 32570 | -0.948 | 5.806 | 2.744 | 0.355 | 544 |  |
HD21 | 25186 | 0.687 | 111.320 | 7.336 | 0.830 | 52 |  |
HD22 | 24870 | 0.905 | 111.320 | 7.145 | 0.846 | 113 |  |
C | 34181 | 0.114 | 187.551 | 175.226 | 3.454 | 20 |  |
CA | 47874 | 2.200 | 354.022 | 53.537 | 3.354 | 34 |  |
CB | 45335 | 1.9620 | 342.798 | 38.715 | 3.414 | 49 |  |
CG | 2910 | 0.000 | 185.503 | 176.202 | 8.858 | 12 |  |
N | 51303 | 0.041 | 426.314 | 118.917 | 5.339 | 40 |  |
ND2 | 21842 | 21.038 | 1114.29 | 112.876 | 12.211 | 12 |  |
ASP | H | 78259 | -0.35 | 25.876 | 8.297 | 0.583 | 654 |  |
HA | 50514 | -3.75 | 8.66 | 4.583 | 0.324 | 740 |  |
HB2 | 46970 | -5.2 | 37.4 | 2.716 | 0.496 | 97 |  |
HB3 | 45098 | -1.46 | 37.2 | 2.666 | 0.503 | 115 |  |
HD2 | 21 | 1.160 | 12.30 | 5.832 | 3.100 | |  |
C | 50075 | 0.106 | 184.14 | 176.368 | 3.395 | 26 |  |
CA | 68926 | 5.630 | 354.531 | 54.679 | 2.639 | 73 |  |
CB | 65239 | 9.7 | 341.273 | 40.880 | 2.458 | 163 |  |
CG | 1107 | 2.637 | 188.215 | 177.291 | 17.699 | 14 |  |
N | 75427 | 0.061 | 428.093 | 120.710 | 4.544 | 115 |  |
CYS | H | 26431 | 3.723 | 12.660 | 8.374 | 0.694 | 160 |  |
HA | 20828 | -9.858 | 43.5 | 4.677 | 0.952 | 66 |  |
HB2 | 20016 | -39.82 | 363.580 | 3.125 | 6.142 | 43 |  |
HB3 | 19511 | -44.2 | 363.580 | 3.047 | 5.568 | 43 |  |
HG | 286 | -1.830 | 10.700 | 2.079 | 1.401 | 6 |  |
C | 12792 | 1.000 | 187.591 | 174.758 | 3.344 | 10 |  |
CA | 19346 | 30.6688 | 90.374 | 57.998 | 3.497 | 24 |  |
CB | 18416 | 17.99 | 111.008 | 33.455 | 6.647 | 21 |  |
N | 21316 | -147 | 628 | 120.362 | 17.208 | 82 |  |
GLN | H | 56740 | 0.000 | 122.824 | 8.245 | 1.913 | 23 |  |
HA | 36382 | 0.000 | 7.43 | 4.263 | 0.429 | 602 |  |
HB2 | 32931 | -1.514 | 10.461 | 2.043 | 0.273 | 446 |  |
HB3 | 31288 | -1.4980 | 20.9 | 2.014 | 0.321 | 378 |  |
HE21 | 23150 | -3.41 | 23.893 | 7.222 | 0.500 | 199 |  |
HE22 | 22872 | 0.000 | 113.695 | 7.036 | 0.857 | 34 |  |
HG2 | 30646 | -1.76 | 33.5990 | 2.314 | 0.331 | 366 |  |
HG3 | 28403 | -1.395 | 34.946 | 2.294 | 0.355 | 402 |  |
C | 36727 | 0.069 | 1755.998 | 176.345 | 8.904 | 13 |  |
CA | 50410 | 1.733 | 356.830 | 56.557 | 2.561 | 52 |  |
CB | 46990 | 1.843 | 328.286 | 29.177 | 2.433 | 152 |  |
CD | 2881 | 6.789 | 190.624 | 179.324 | 7.277 | 7 |  |
CG | 27590 | 2.097 | 333.032 | 33.809 | 2.465 | 44 |  |
N | 54648 | 0.000 | 418.059 | 119.962 | 4.459 | 106 |  |
NE2 | 20886 | 33.9 | 412.160 | 111.873 | 2.925 | 69 |  |
GLU | H | 101190 | 0.008 | 122.9 | 8.328 | 0.723 | 410 |  |
HA | 65861 | 0.433 | 8.02 | 4.240 | 0.410 | 1196 |  |
HB2 | 59362 | -1.470 | 4.82 | 2.018 | 0.221 | 841 |  |
HB3 | 55846 | -1.633 | 8.095 | 1.995 | 0.227 | 804 |  |
HE2 | 29 | 0.801 | 11.96 | 5.008 | 2.078 | 1 |  |
HG2 | 54658 | -0.674 | 4.69 | 2.264 | 0.220 | 907 |  |
HG3 | 50930 | -0.10 | 4.69 | 2.246 | 0.222 | 822 |  |
C | 65754 | 0.074 | 184.71 | 176.847 | 4.074 | 41 |  |
CA | 89228 | 1.056 | 360.826 | 57.325 | 3.147 | 81 |  |
CB | 83336 | 9.08 | 330.834 | 29.997 | 3.009 | 133 |  |
CD | 1172 | 0.000 | 198.609 | 181.186 | 13.831 | 8 |  |
CG | 49515 | 6.16 | 337.230 | 36.144 | 2.850 | 69 |  |
N | 97833 | 0.044 | 422.043 | 120.735 | 4.540 | 134 |  |
GLY | H | 98716 | -15.3 | 121.881 | 8.327 | 0.746 | 977 |  |
H1 | 2 | 8.373 | 8.677 | 8.525 | 0.215 | |  |
HA2 | 63038 | -3.4 | 8.64 | 3.960 | 0.395 | 1026 |  |
HA3 | 59934 | -3.936 | 43.9930 | 3.890 | 0.433 | 849 |  |
C | 62702 | 1.000 | 189.533 | 173.846 | 3.248 | 71 |  |
CA | 87613 | 2.200 | 344.994 | 45.370 | 2.129 | 184 |  |
N | 93644 | 0.2 | 791 | 109.646 | 6.679 | 248 |  |
HIS | H | 27834 | -0.3 | 13.34 | 8.254 | 0.726 | 287 |  |
HA | 18947 | 0.676 | 11.38 | 4.615 | 0.555 | 236 |  |
HB2 | 17607 | -2.168 | 45.897 | 3.155 | 1.082 | 132 |  |
HB3 | 17077 | -6.2 | 38.5 | 3.097 | 1.053 | 140 |  |
HD1 | 1076 | -15 | 86.5 | 9.872 | 8.360 | 26 |  |
HD2 | 12304 | -25.85 | 67.8 | 7.140 | 3.172 | 90 |  |
HE1 | 9678 | -26.6 | 134.811 | 7.840 | 2.466 | 69 |  |
HE2 | 399 | -15 | 76.4 | 11.067 | 7.797 | 11 |  |
C | 17212 | 1.000 | 184.204 | 175.143 | 4.467 | 15 |  |
CA | 24698 | 11.40 | 355.084 | 56.506 | 3.295 | 62 |  |
CB | 23159 | 13.496 | 329.046 | 30.313 | 3.075 | 69 |  |
CD2 | 8093 | 7.19 | 159.946 | 119.908 | 5.526 | 59 |  |
CE1 | 6350 | 8.198 | 166.282 | 137.269 | 5.533 | 58 |  |
CG | 304 | 18.669 | 139.83 | 131.433 | 9.064 | 3 |  |
N | 26213 | 0.2 | 427.146 | 119.686 | 5.134 | 45 |  |
ND1 | 865 | 31.026 | 261.013 | 192.109 | 32.769 | 2 |  |
NE2 | 779 | 17.0 | 257.572 | 180.930 | 20.237 | 20 |  |
ILE | H | 68222 | 0.008 | 11.871 | 8.259 | 0.690 | 335 |  |
HA | 44439 | -9.0 | 173.538 | 4.164 | 0.981 | 7 |  |
HB | 41701 | -2.442 | 38.700 | 1.784 | 0.391 | 241 |  |
HG12 | 37760 | -10.1 | 5.56 | 1.263 | 0.448 | 297 |  |
HG13 | 36329 | -10.1 | 9.71 | 1.196 | 0.480 | 269 |  |
MD | 42773 | -4.15 | 13.891 | 0.673 | 0.327 | 688 |  |
MG | 39975 | -3.919 | 6.23 | 0.769 | 0.303 | 632 |  |
C | 43696 | 0 | 187.551 | 175.834 | 4.283 | 29 |  |
CA | 60360 | 20.877 | 362.184 | 61.641 | 3.282 | 65 |  |
CB | 56115 | -34.477 | 339.785 | 38.558 | 2.824 | 93 |  |
CD1 | 38904 | 1.358 | 314.600 | 13.494 | 3.342 | 117 |  |
CG1 | 34101 | 8.0 | 329.288 | 27.767 | 3.235 | 157 |  |
CG2 | 36284 | 0.79 | 317.615 | 17.601 | 3.169 | 116 |  |
N | 65621 | 0.0000 | 531 | 121.441 | 5.911 | 130 |  |
LEU | H | 113209 | -0.3 | 119.596 | 8.217 | 0.728 | 377 |  |
HA | 73308 | 0.000 | 119.411 | 4.301 | 0.631 | 81 |  |
HB2 | 67200 | -1.800 | 8.02 | 1.608 | 0.358 | 875 |  |
HB3 | 64434 | -1.79 | 1579.0 | 1.548 | 6.226 | 1 |  |
HG | 59045 | -2.08 | 5.965 | 1.503 | 0.348 | 729 |  |
MD1 | 68998 | -3.42 | 30.176 | 0.747 | 0.328 | 1085 |  |
MD2 | 66447 | -3.42 | 24.59 | 0.729 | 0.385 | 644 |  |
C | 72601 | 0.071 | 189.78 | 177.016 | 3.506 | 30 |  |
CA | 99988 | 1.056 | 158.320 | 55.658 | 2.218 | 206 |  |
CB | 93175 | 7.439 | 93.180 | 42.223 | 1.991 | 625 |  |
CD1 | 60579 | 0.438 | 120.700 | 24.659 | 2.014 | 226 |  |
CD2 | 57931 | 0.280 | 116.300 | 24.133 | 2.091 | 181 |  |
CG | 52350 | 0.000 | 75.280 | 26.804 | 1.468 | 398 |  |
N | 108475 | 0.044 | 627 | 121.936 | 7.435 | 106 |  |
LYS | H | 95697 | 0.002 | 123.7085 | 8.192 | 1.551 | 33 |  |
HA | 63469 | -0.118 | 32.650 | 4.256 | 0.452 | 699 |  |
HB2 | 56977 | -1.416 | 10.94 | 1.774 | 0.264 | 934 |  |
HB3 | 53706 | -3.038 | 9.43 | 1.748 | 0.280 | 887 |  |
HD2 | 45612 | -1.6800 | 119.620 | 1.608 | 0.623 | 35 |  |
HD3 | 41058 | -2.02 | 29.047 | 1.597 | 0.271 | 596 |  |
HE2 | 44951 | -0.493 | 42.02 | 2.911 | 0.282 | 519 |  |
HE3 | 39674 | -0.046 | 7.344 | 2.904 | 0.220 | 836 |  |
HG2 | 51391 | -1.654 | 8.362 | 1.364 | 0.271 | 1039 |  |
HG3 | 47519 | -1.83 | 5.575 | 1.349 | 0.280 | 991 |  |
C | 58838 | 0.112 | 996.253 | 176.632 | 5.407 | 38 |  |
CA | 81702 | 1.155 | 359.222 | 56.953 | 3.095 | 77 |  |
CB | 76240 | -26.686 | 332.988 | 32.771 | 2.806 | 111 |  |
CD | 41985 | 0.834 | 329.284 | 28.996 | 2.548 | 80 |  |
CE | 40452 | -0.130 | 342.334 | 41.926 | 2.933 | 73 |  |
CG | 44636 | 12.109 | 325.487 | 24.956 | 3.015 | 98 |  |
N | 89902 | 0.041 | 427.245 | 121.043 | 4.797 | 128 |  |
NZ | 336 | 1.950 | 177.2 | 50.314 | 32.587 | 3 |  |
QZ | 1766 | -10.9 | 10.506 | 7.353 | 1.007 | 44 |  |
MET | H | 26881 | -0.21 | 177 | 8.254 | 1.193 | 18 |  |
HA | 18152 | -0.93 | 313.565 | 4.409 | 2.344 | 1 |  |
HB2 | 16210 | -27.312 | 33.750 | 2.025 | 0.566 | 92 |  |
HB3 | 15244 | -27.312 | 12.94 | 1.996 | 0.509 | 117 |  |
HG2 | 14869 | -33.86 | 32.7 | 2.380 | 1.409 | 49 |  |
HG3 | 14057 | -33.86 | 31.7 | 2.355 | 1.517 | 49 |  |
ME | 11711 | -24.86 | 10.2000 | 1.784 | 1.489 | 89 |  |
C | 17905 | 2.200 | 183.25 | 176.216 | 3.172 | 6 |  |
CA | 25126 | 25.7283 | 85.327 | 56.142 | 2.274 | 59 |  |
CB | 23181 | 0.2 | 332.173 | 32.956 | 3.093 | 56 |  |
CE | 10700 | 0.000 | 317.645 | 17.241 | 4.039 | 55 |  |
CG | 12925 | 2.30 | 332.686 | 32.070 | 3.125 | 33 |  |
N | 26118 | 0.000 | 428.252 | 120.085 | 4.912 | 43 |  |
PHE | H | 48410 | -0.5 | 12.1759 | 8.332 | 0.729 | 298 |  |
HA | 31432 | 1.33 | 59.70 | 4.615 | 0.714 | 28 |  |
HB2 | 29233 | -0.463 | 7.979 | 2.993 | 0.379 | 396 |  |
HB3 | 28499 | -0.212 | 12.72 | 2.936 | 0.397 | 422 |  |
HD1 | 24353 | 0.603 | 12.154 | 7.039 | 0.394 | 242 |  |
HD2 | 20661 | 0.603 | 12.154 | 7.040 | 0.406 | 205 |  |
HE1 | 21221 | -2.838 | 14.080 | 7.065 | 0.445 | 180 |  |
HE2 | 18213 | 0 | 12.9 | 7.063 | 0.440 | 166 |  |
HZ | 14792 | -7.14 | 43.623 | 6.994 | 0.704 | 122 |  |
C | 30572 | 0.088 | 184.929 | 175.452 | 2.946 | 12 |  |
CA | 42361 | 4.917 | 363.618 | 58.114 | 3.692 | 40 |  |
CB | 39725 | 2.161 | 341.700 | 39.921 | 3.458 | 51 |  |
CD1 | 14741 | 7.160 | 148.7280 | 131.200 | 5.780 | 71 |  |
CD2 | 10378 | 7.160 | 140.309 | 131.338 | 4.427 | 35 |  |
CE1 | 12809 | 0.000 | 149.609 | 130.343 | 5.737 | 62 |  |
CE2 | 9023 | 7.307 | 149.609 | 130.539 | 4.119 | 33 |  |
CG | 491 | 7.229 | 156.3 | 137.423 | 10.830 | 4 |  |
CZ | 9523 | 7.351 | 165.611 | 129.033 | 4.121 | 34 |  |
N | 46088 | 0.067 | 422.843 | 120.387 | 5.376 | 65 |  |
PRO | H | 9 | 7.34506929 | 8.995 | 8.273 | 0.517 | |  |
H2 | 5 | 8.070 | 9.673 | 8.756 | 0.710 | |  |
HA | 35874 | 0.636 | 135.80 | 4.386 | 0.777 | 48 |  |
HB2 | 33138 | -1.501 | 5.63 | 2.069 | 0.369 | 583 |  |
HB3 | 32149 | -3.48 | 6.10 | 1.997 | 0.381 | 599 |  |
HD2 | 30523 | -6.56 | 7.67 | 3.637 | 0.443 | 455 |  |
HD3 | 29453 | -6.56 | 8.353 | 3.603 | 0.462 | 542 |  |
HG2 | 29675 | -2.35 | 7.395 | 1.919 | 0.340 | 709 |  |
HG3 | 27616 | -1.520 | 4.92 | 1.895 | 0.349 | 666 |  |
C | 32964 | 0 | 183.517 | 176.655 | 4.155 | 31 |  |
CA | 46739 | 0 | 363.087 | 63.329 | 3.461 | 86 |  |
CB | 43467 | 0 | 333.586 | 31.874 | 3.005 | 77 |  |
CD | 27110 | 1.155 | 350.648 | 50.343 | 3.102 | 63 |  |
CG | 27061 | 2.436 | 327.402 | 27.270 | 3.591 | 44 |  |
N | 2635 | 0.140 | 430 | 134.706 | 22.359 | 39 |  |
SER | H | 82761 | -15.3 | 116.95709 | 8.274 | 0.702 | 367 |  |
HA | 54754 | 1.277 | 58.739 | 4.475 | 0.468 | 490 |  |
HB2 | 49958 | 0.61 | 9.182 | 3.868 | 0.276 | 782 |  |
HB3 | 46414 | 0.61 | 41.7 | 3.845 | 0.338 | 550 |  |
HG | 1038 | 0.13 | 11.36 | 5.403 | 1.181 | 25 |  |
C | 53664 | 0.000 | 197.1 | 174.590 | 3.176 | 37 |  |
CA | 74996 | 4.331 | 361.278 | 58.689 | 2.717 | 80 |  |
CB | 69497 | -939.2800 | 365.087 | 63.727 | 4.691 | 175 |  |
N | 79052 | 0.000 | 416.964 | 116.290 | 4.132 | 250 |  |
THR | H | 73445 | 0.02 | 21.7 | 8.225 | 0.634 | 627 |  |
HA | 47869 | 0.87 | 7.468 | 4.449 | 0.477 | 284 |  |
HB | 43719 | 0.087 | 71.587 | 4.169 | 0.637 | 89 |  |
HG1 | 1796 | -1.783 | 11.01 | 5.172 | 1.430 | 32 |  |
MG | 43716 | -12.1 | 16.3 | 1.139 | 0.274 | 561 |  |
C | 46489 | 4.780 | 185.918 | 174.467 | 3.842 | 35 |  |
CA | 64737 | 0.971 | 92.659 | 62.207 | 2.738 | 120 |  |
CB | 59987 | -939.2800 | 629.206 | 69.598 | 5.327 | 170 |  |
CG2 | 37544 | 7.177 | 175.6 | 21.593 | 1.865 | 124 |  |
N | 70303 | 0.0 | 402 | 115.361 | 6.132 | 71 |  |
TRP | H | 15933 | 3.421 | 17.315 | 8.265 | 0.781 | 112 |  |
HA | 10553 | 2.043 | 172.573 | 4.690 | 1.719 | 2 |  |
HB2 | 9946 | 0.42 | 5.35 | 3.177 | 0.347 | 150 |  |
HB3 | 9664 | -0.3776 | 7.972 | 3.117 | 0.372 | 153 |  |
HD1 | 8808 | 1.880 | 10.75 | 7.129 | 0.360 | 138 |  |
HE1 | 9941 | -1.279 | 131.711 | 10.099 | 1.397 | 47 |  |
HE3 | 7631 | 1.85 | 12.233 | 7.302 | 0.516 | 137 |  |
HH2 | 7573 | 2.84 | 10.900 | 6.957 | 0.448 | 122 |  |
HZ2 | 8236 | 2.63 | 10.81 | 7.270 | 0.405 | 123 |  |
HZ3 | 7349 | 0.76 | 8.898 | 6.853 | 0.464 | 95 |  |
C | 9646 | 2.500 | 184.30 | 176.021 | 5.708 | 12 |  |
CA | 13527 | 2.966 | 362.099 | 57.734 | 4.582 | 14 |  |
CB | 12513 | 1.6 | 328.795 | 30.043 | 4.549 | 23 |  |
CD1 | 5658 | 30.236 | 183.141 | 126.347 | 4.338 | 23 |  |
CD2 | 195 | 1.578 | 155.174 | 127.167 | 12.841 | 2 |  |
CE2 | 271 | 56.4176 | 177.710 | 137.314 | 9.399 | 6 |  |
CE3 | 4730 | -10.872 | 174.807 | 120.213 | 5.370 | 29 |  |
CG | 279 | 4.174 | 129.700 | 110.283 | 8.807 | 3 |  |
CH2 | 4997 | -6.333 | 160.818 | 123.565 | 4.859 | 22 |  |
CZ2 | 5390 | 7.107 | 159.041 | 114.075 | 4.465 | 32 |  |
CZ3 | 4751 | -8.702 | 161.540 | 121.183 | 4.514 | 22 |  |
N | 14647 | 6.712 | 423.160 | 121.626 | 5.810 | 14 |  |
NE1 | 8181 | 0.53 | 435.960 | 129.274 | 6.065 | 35 |  |
TYR | H | 41473 | 0.02 | 12.34 | 8.287 | 0.735 | 201 |  |
HA | 26923 | 0.442 | 7.160 | 4.609 | 0.560 | 221 |  |
HB2 | 25007 | -21.230 | 23.28 | 2.898 | 0.459 | 213 |  |
HB3 | 24408 | -21.230 | 23.28 | 2.835 | 0.476 | 257 |  |
HD1 | 21488 | 0.190 | 10.5 | 6.921 | 0.368 | 254 |  |
HD2 | 18418 | 0.5522 | 10.499 | 6.918 | 0.371 | 219 |  |
HE1 | 20361 | 0.08 | 11.8 | 6.691 | 0.304 | 182 |  |
HE2 | 17562 | 0.43 | 11.7 | 6.691 | 0.314 | 155 |  |
HH | 486 | -0.788 | 31 | 9.030 | 2.067 | 5 |  |
C | 25593 | 2.200 | 184.78 | 175.400 | 4.440 | 22 |  |
CA | 35447 | 2.200 | 357.681 | 58.141 | 3.026 | 26 |  |
CB | 32870 | 18.38 | 338.686 | 39.279 | 3.024 | 54 |  |
CD1 | 13240 | 19.40 | 141.572 | 132.380 | 5.242 | 69 |  |
CD2 | 9075 | 3.492 | 139.644 | 132.389 | 5.205 | 51 |  |
CE1 | 12999 | 40.435 | 182.764 | 117.745 | 3.962 | 112 |  |
CE2 | 8959 | 34.1221 | 154.10 | 117.785 | 3.241 | 73 |  |
CG | 466 | 7.113 | 175.115 | 128.239 | 12.575 | 7 |  |
CZ | 338 | 6.839 | 165.718 | 155.833 | 12.682 | 3 |  |
N | 38914 | 0.2 | 818 | 120.692 | 11.233 | 37 |  |
VAL | H | 89260 | -0.41 | 15.050 | 8.266 | 0.676 | 430 |  |
H1 | 1 | 8.025 | 8.025 | 8.025 | | |  |
HA | 58247 | -2.83 | 54.971 | 4.166 | 0.623 | 132 |  |
HB | 54160 | -27.480 | 31.75 | 1.981 | 0.440 | 425 |  |
MG1 | 55132 | -27.2 | 24.20 | 0.819 | 0.329 | 626 |  |
MG2 | 54208 | -27.2 | 56.56 | 0.802 | 0.421 | 296 |  |
C | 58003 | 1 | 205.699 | 175.651 | 3.255 | 33 |  |
CA | 79377 | -17.046 | 362.057 | 62.506 | 3.161 | 110 |  |
CB | 73578 | 15.597025 | 331.747 | 32.698 | 2.231 | 156 |  |
CG1 | 49138 | -7.4 | 321.185 | 21.536 | 2.355 | 94 |  |
CG2 | 47508 | -5.648 | 320.420 | 21.347 | 2.451 | 95 |  |
N | 86384 | 0.2 | 529 | 121.136 | 7.048 | 92 |  |