Statistics Calculated for Selected 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 | Secondary structure histogram | ALA | H | 87278 | 3.53 | 13.9288 | 8.194 | 0.572 | 935 |  |  |
HA | 52507 | 0.870 | 6.514 | 4.237 | 0.419 | 1586 |  |  |
MB | 50444 | -0.830 | 3.4106 | 1.357 | 0.243 | 1595 |  |  |
C | 56857 | 164.477 | 187.2 | 177.817 | 2.026 | 482 |  |  |
CA | 77116 | 35.77 | 72.252 | 53.141 | 1.924 | 382 |  |  |
CB | 72669 | 6.606 | 40.32 | 18.955 | 1.742 | 1394 |  |  |
N | 83710 | 98.053 | 142.81 | 123.377 | 3.417 | 906 |  |  |
ARG | H | 57436 | 3.566 | 12.69 | 8.235 | 0.595 | 549 |  |  |
HA | 35918 | 1.291 | 6.618 | 4.284 | 0.443 | 719 |  |  |
HB2 | 32138 | -0.611 | 3.74 | 1.795 | 0.255 | 869 |  |  |
HB3 | 30365 | -0.74 | 3.74 | 1.765 | 0.267 | 837 |  |  |
HD2 | 27999 | 1.041 | 4.849 | 3.118 | 0.227 | 997 |  |  |
HD3 | 25458 | 0.199 | 4.689 | 3.103 | 0.256 | 835 |  |  |
HE | 8723 | 2.201 | 11.88 | 7.355 | 0.564 | 476 |  |  |
HG2 | 28552 | -0.688 | 3.510 | 1.567 | 0.260 | 848 |  |  |
HG3 | 26456 | -0.742 | 3.510 | 1.547 | 0.278 | 837 |  |  |
HH11 | 696 | 5.642 | 9.82 | 6.895 | 0.430 | 37 |  |  |
HH12 | 542 | 5.920 | 8.76 | 6.845 | 0.357 | 27 |  |  |
HH21 | 597 | 4.845 | 9.663 | 6.807 | 0.396 | 37 |  |  |
HH22 | 491 | 5.920 | 8.776 | 6.796 | 0.350 | 40 |  |  |
C | 35396 | 167.086 | 184.51 | 176.493 | 1.964 | 187 |  |  |
CA | 49571 | 35.7 | 74.477 | 56.768 | 2.259 | 165 |  |  |
CB | 45749 | 18.470 | 44.328 | 30.624 | 1.770 | 644 |  |  |
CD | 24241 | 27.121 | 51.422 | 43.163 | 0.918 | 648 |  |  |
CG | 24128 | 18.22 | 49.3900 | 27.216 | 1.193 | 497 |  |  |
CZ | 646 | 113.281 | 180.3 | 159.864 | 3.546 | 56 |  |  |
N | 53565 | 102.427 | 137.600 | 120.901 | 3.581 | 501 |  |  |
NE | 4822 | 67.00 | 99.808 | 84.593 | 1.595 | 1496 |  |  |
NH1 | 152 | 67.6 | 87.82 | 74.089 | 4.815 | 39 |  |  |
NH2 | 129 | 69.258 | 87.83 | 72.837 | 2.912 | 45 |  |  |
ASN | H | 47604 | 2.610 | 12.675 | 8.322 | 0.604 | 718 |  |  |
HA | 29464 | 2.040 | 6.600 | 4.658 | 0.348 | 594 |  |  |
HB2 | 27241 | 0.18 | 4.47 | 2.803 | 0.306 | 729 |  |  |
HB3 | 26254 | -0.074 | 4.766 | 2.749 | 0.324 | 726 |  |  |
HD21 | 19705 | 2.06 | 9.767 | 7.328 | 0.475 | 353 |  |  |
HD22 | 19427 | 2.578 | 9.986 | 7.148 | 0.489 | 402 |  |  |
C | 30055 | 166.8 | 187.551 | 175.292 | 1.743 | 228 |  |  |
CA | 41933 | 41.197 | 68.563 | 53.518 | 1.842 | 290 |  |  |
CB | 39419 | 23.164 | 57.35 | 38.682 | 1.633 | 670 |  |  |
CG | 2260 | 111.6 | 183.8 | 176.714 | 2.373 | 15 |  |  |
N | 44963 | 101.712 | 137.49 | 118.974 | 3.823 | 325 |  |  |
ND2 | 16751 | 99.4 | 134.500 | 112.748 | 2.235 | 409 |  |  |
ASP | H | 67485 | 4.062 | 12.68 | 8.295 | 0.552 | 890 |  |  |
HA | 40716 | 2.171 | 6.93 | 4.581 | 0.306 | 955 |  |  |
HB2 | 37393 | -0.39 | 6.6 | 2.711 | 0.259 | 841 |  |  |
HB3 | 35853 | -0.362 | 4.58 | 2.661 | 0.266 | 823 |  |  |
HD2 | 10 | 0.968 | 12.12 | 6.567 | 3.358 | |  |  |
C | 43300 | 166.8 | 182.955 | 176.427 | 1.672 | 367 |  |  |
CA | 59509 | 41.113 | 67.166 | 54.664 | 1.990 | 240 |  |  |
CB | 55892 | 26.5008 | 58.51 | 40.863 | 1.576 | 937 |  |  |
CG | 783 | 169.68 | 186.5 | 179.232 | 1.850 | 40 |  |  |
N | 65088 | 98.471 | 143.52 | 120.742 | 3.710 | 451 |  |  |
CYS | H | 23220 | 4.379 | 12.660 | 8.379 | 0.672 | 198 |  |  |
HA | 17851 | 1.64 | 6.448 | 4.655 | 0.535 | 211 |  |  |
HB2 | 17081 | -0.488 | 4.715 | 2.955 | 0.427 | 493 |  |  |
HB3 | 16637 | -0.83 | 4.77 | 2.893 | 0.438 | 499 |  |  |
HG | 221 | -1.830 | 8.486 | 2.086 | 1.269 | 10 |  |  |
C | 11077 | 166.733 | 187.591 | 174.825 | 2.034 | 58 |  |  |
CA | 16784 | 41.514 | 68.074 | 58.035 | 3.452 | 24 |  |  |
CB | 15878 | 17.99 | 63.89 | 33.447 | 6.565 | 23 |  |  |
N | 18296 | 100.48 | 138.678 | 120.082 | 4.364 | 150 |  |  |
GLN | H | 51236 | 3.505 | 12.6575 | 8.219 | 0.556 | 638 |  |  |
HA | 30146 | 1.567 | 7.34 | 4.256 | 0.415 | 719 |  |  |
HB2 | 26948 | -0.14 | 4.025 | 2.045 | 0.247 | 598 |  |  |
HB3 | 25617 | -0.520 | 4.04 | 2.016 | 0.260 | 593 |  |  |
HE21 | 18300 | 3.39 | 9.922 | 7.229 | 0.438 | 279 |  |  |
HE22 | 18039 | 3.59 | 9.79 | 7.036 | 0.432 | 336 |  |  |
HG2 | 24937 | -0.212 | 4.440 | 2.316 | 0.257 | 677 |  |  |
HG3 | 23047 | -0.406 | 4.44 | 2.296 | 0.274 | 696 |  |  |
C | 32947 | 166.539 | 185.308 | 176.346 | 1.868 | 150 |  |  |
CA | 45060 | 43.453 | 67.016 | 56.533 | 2.067 | 147 |  |  |
CB | 41630 | 18.425 | 44.203 | 29.144 | 1.746 | 649 |  |  |
CD | 2280 | 171.365 | 183.929 | 179.705 | 1.253 | 77 |  |  |
CG | 22449 | 21.64 | 51.08 | 33.785 | 1.087 | 436 |  |  |
N | 49324 | 103.877 | 139.55 | 120.090 | 3.427 | 495 |  |  |
NE2 | 16310 | 92.49 | 133.301 | 111.870 | 1.685 | 462 |  |  |
GLU | H | 88021 | 4.215 | 12.692 | 8.330 | 0.570 | 1083 |  |  |
HA | 53558 | 1.393 | 6.335 | 4.237 | 0.397 | 1445 |  |  |
HB2 | 47679 | 0.340 | 3.44 | 2.021 | 0.204 | 1113 |  |  |
HB3 | 44824 | 0.285 | 3.467 | 1.998 | 0.209 | 1075 |  |  |
HE2 | 17 | 2.727 | 7.376 | 4.132 | 1.447 | 1 |  |  |
HG2 | 43667 | 0.528 | 3.77 | 2.268 | 0.204 | 1145 |  |  |
HG3 | 40650 | 0.555 | 3.832 | 2.250 | 0.208 | 1021 |  |  |
C | 57558 | 166.8 | 183.598 | 176.932 | 1.874 | 372 |  |  |
CA | 77522 | 41.955 | 71.16 | 57.302 | 2.053 | 321 |  |  |
CB | 71901 | 18.356 | 49.560 | 29.947 | 1.665 | 1080 |  |  |
CD | 876 | 173.41 | 188.710 | 182.205 | 2.285 | 60 |  |  |
CG | 39560 | 25.059 | 54.826 | 36.110 | 1.175 | 817 |  |  |
N | 85199 | 101.337 | 138.6 | 120.799 | 3.386 | 840 |  |  |
GLY | H | 86697 | 2.881 | 12.22 | 8.328 | 0.612 | 2022 |  |  |
H1 | 2 | 8.373 | 8.677 | 8.525 | 0.215 | |  |  |
HA2 | 51087 | 0.7837959345 | 6.983 | 3.958 | 0.363 | 1330 |  |  |
HA3 | 48387 | 0.645 | 6.983 | 3.894 | 0.361 | 1368 |  |  |
C | 54894 | 163.029 | 187.394 | 173.901 | 1.783 | 910 |  |  |
CA | 76585 | 33.148 | 61.276 | 45.348 | 1.285 | 973 |  |  |
N | 82163 | 91.124 | 139.866 | 109.547 | 3.529 | 1117 |  |  |
HIS | H | 23642 | 3.139 | 12.392 | 8.244 | 0.662 | 426 |  |  |
HA | 15080 | 1.929 | 8.9 | 4.599 | 0.422 | 510 |  |  |
HB2 | 13880 | -0.038 | 8.7 | 3.103 | 0.350 | 641 |  |  |
HB3 | 13408 | -0.387 | 8.7 | 3.048 | 0.371 | 623 |  |  |
HD1 | 616 | 2.73 | 74.8 | 8.907 | 5.675 | 30 |  |  |
HD2 | 9482 | 0.264 | 9.415 | 7.000 | 0.463 | 465 |  |  |
HE1 | 7410 | 0.075 | 10.8810 | 7.951 | 0.559 | 274 |  |  |
HE2 | 265 | 6.037 | 16.53 | 9.625 | 2.288 | 22 |  |  |
C | 14790 | 166.900 | 183.120 | 175.250 | 1.936 | 88 |  |  |
CA | 21098 | 42.505 | 82 | 56.470 | 2.290 | 165 |  |  |
CB | 19622 | 18.745 | 46.978 | 30.250 | 2.073 | 292 |  |  |
CD2 | 6335 | 110.516 | 159.946 | 120.290 | 3.253 | 139 |  |  |
CE1 | 4898 | 104.667 | 144.756 | 137.590 | 2.314 | 101 |  |  |
CG | 225 | 117.54 | 139.557 | 132.265 | 2.989 | 7 |  |  |
N | 22309 | 103.986 | 136.48 | 119.732 | 4.017 | 252 |  |  |
ND1 | 373 | 162.040 | 229.140 | 193.190 | 18.607 | 116 |  |  |
NE2 | 397 | 161.098 | 226.759 | 183.312 | 16.406 | 26 |  |  |
ILE | H | 59003 | 3.344 | 11.871 | 8.256 | 0.671 | 444 |  |  |
HA | 36260 | 1.32 | 6.362 | 4.152 | 0.544 | 200 |  |  |
HB | 33711 | -1.280 | 3.87 | 1.789 | 0.286 | 715 |  |  |
HG12 | 30240 | -2.12 | 2.849 | 1.275 | 0.391 | 473 |  |  |
HG13 | 29029 | -2.368 | 2.990 | 1.204 | 0.405 | 444 |  |  |
MD | 34944 | -1.468 | 2.82 | 0.683 | 0.279 | 1105 |  |  |
MG | 32102 | -1.468 | 2.198 | 0.778 | 0.265 | 1035 |  |  |
C | 38050 | 166.4030 | 187.551 | 175.973 | 1.870 | 285 |  |  |
CA | 52241 | 39.563 | 71.856 | 61.679 | 2.676 | 121 |  |  |
CB | 48168 | 18.1 | 51.876 | 38.528 | 1.976 | 418 |  |  |
CD1 | 31807 | 1.358 | 31.913 | 13.390 | 1.633 | 707 |  |  |
CG1 | 27451 | 8.767 | 42.087 | 27.757 | 1.700 | 431 |  |  |
CG2 | 29176 | 3.448 | 37.008 | 17.520 | 1.304 | 695 |  |  |
N | 56625 | 83.327 | 138.12 | 121.414 | 4.155 | 813 |  |  |
LEU | H | 98980 | 3.012 | 13.220 | 8.214 | 0.626 | 777 |  |  |
H1 | 1 | 7.340 | 7.340 | 7.340 | | |  |  |
HA | 60217 | 1.721 | 6.420 | 4.293 | 0.449 | 709 |  |  |
HB2 | 54610 | -1.252 | 4.1281 | 1.611 | 0.336 | 1075 |  |  |
HB3 | 52260 | -1.777 | 3.2260 | 1.529 | 0.358 | 1067 |  |  |
HG | 47334 | -1.06 | 3.9 | 1.512 | 0.329 | 965 |  |  |
MD1 | 56364 | -1.76 | 2.3640 | 0.755 | 0.272 | 1954 |  |  |
MD2 | 54391 | -1.922 | 2.349 | 0.736 | 0.278 | 1852 |  |  |
C | 63551 | 166.222 | 189.78 | 177.108 | 1.900 | 475 |  |  |
CA | 87237 | 42.686 | 67.880 | 55.676 | 2.093 | 279 |  |  |
CB | 80537 | 26.4 | 53.70 | 42.207 | 1.815 | 1108 |  |  |
CD1 | 49235 | 10.945 | 36.85 | 24.621 | 1.581 | 534 |  |  |
CD2 | 47152 | 9.860 | 32.515 | 24.098 | 1.666 | 433 |  |  |
CG | 42047 | 15.3000 | 37.8 | 26.782 | 1.071 | 1185 |  |  |
N | 94582 | 84.655 | 177.633 | 121.844 | 3.807 | 621 |  |  |
LYS | H | 82832 | 3.258 | 12.031 | 8.177 | 0.585 | 1008 |  |  |
HA | 52045 | 0.68 | 7.96 | 4.253 | 0.419 | 1094 |  |  |
HB2 | 46125 | -0.300 | 3.819 | 1.779 | 0.237 | 1226 |  |  |
HB3 | 43431 | -0.449 | 3.819 | 1.753 | 0.256 | 1140 |  |  |
HD2 | 36723 | -1.6800 | 3.19 | 1.607 | 0.206 | 1229 |  |  |
HD3 | 33187 | -0.534 | 3.193 | 1.600 | 0.210 | 1092 |  |  |
HE2 | 36277 | 0.750 | 4.43 | 2.914 | 0.192 | 1244 |  |  |
HE3 | 32117 | 1.171 | 4.550 | 2.908 | 0.197 | 1105 |  |  |
HG2 | 41445 | -0.77 | 3.128 | 1.369 | 0.247 | 1335 |  |  |
HG3 | 38377 | -0.871 | 3.046 | 1.354 | 0.262 | 1197 |  |  |
C | 51318 | 166.633 | 185.000 | 176.726 | 1.896 | 344 |  |  |
CA | 71052 | 40.726 | 75.496 | 56.951 | 2.150 | 244 |  |  |
CB | 65828 | 15.95 | 46.600 | 32.738 | 1.738 | 1032 |  |  |
CD | 33769 | 15.366 | 42.868 | 28.967 | 1.089 | 1093 |  |  |
CE | 32415 | 22.662 | 56.0 | 41.896 | 0.859 | 1132 |  |  |
CG | 36010 | 16.845 | 40.50 | 24.896 | 1.102 | 1074 |  |  |
N | 77881 | 101.1 | 140.3 | 121.120 | 3.662 | 652 |  |  |
NZ | 128 | 20.9 | 47.3444 | 33.117 | 2.664 | 130 |  |  |
QZ | 1450 | 1.320 | 9.90 | 7.413 | 0.606 | 65 |  |  |
MET | H | 23417 | 4.865 | 12.456 | 8.251 | 0.569 | 218 |  |  |
HA | 14826 | 1.127 | 6.35 | 4.388 | 0.454 | 302 |  |  |
HB2 | 13077 | -1.05 | 4.07 | 2.030 | 0.321 | 372 |  |  |
HB3 | 12281 | -0.99 | 3.47 | 1.995 | 0.332 | 301 |  |  |
HG2 | 11923 | -0.528 | 4.400 | 2.421 | 0.355 | 370 |  |  |
HG3 | 11290 | -0.528 | 4.240 | 2.396 | 0.370 | 357 |  |  |
ME | 9298 | -0.713 | 8.381 | 1.891 | 0.375 | 336 |  |  |
C | 15677 | 165.891 | 185.212 | 176.257 | 2.026 | 78 |  |  |
CA | 21937 | 43.281 | 66.860 | 56.131 | 2.176 | 83 |  |  |
CB | 20116 | 17.370 | 46.46 | 32.904 | 2.125 | 306 |  |  |
CE | 8558 | 0.000 | 48.46 | 17.121 | 1.692 | 142 |  |  |
CG | 10348 | 15.937 | 51.7 | 32.029 | 1.323 | 210 |  |  |
N | 22751 | 102.804 | 138.547 | 120.142 | 3.415 | 228 |  |  |
PHE | H | 41690 | 3.549 | 12.357 | 8.328 | 0.711 | 367 |  |  |
HA | 25206 | 1.33 | 6.868 | 4.603 | 0.554 | 196 |  |  |
HB2 | 23233 | 0.159 | 4.461 | 3.002 | 0.359 | 466 |  |  |
HB3 | 22676 | -0.212 | 4.690 | 2.942 | 0.380 | 483 |  |  |
HD1 | 19029 | 4.469 | 8.6518 | 7.058 | 0.308 | 579 |  |  |
HD2 | 16343 | 4.469 | 8.6518 | 7.062 | 0.308 | 500 |  |  |
HE1 | 16528 | 4.378 | 8.41 | 7.088 | 0.305 | 532 |  |  |
HE2 | 14354 | 4.378 | 8.41 | 7.085 | 0.309 | 461 |  |  |
HZ | 11377 | 4.324 | 8.9479 | 6.998 | 0.411 | 381 |  |  |
C | 26351 | 166.845 | 184.929 | 175.488 | 1.942 | 167 |  |  |
CA | 36441 | 36.030 | 69.821 | 58.119 | 2.539 | 127 |  |  |
CB | 33840 | 25.52 | 56.739 | 39.871 | 2.027 | 317 |  |  |
CD1 | 11557 | 116.948 | 148.7280 | 131.583 | 1.246 | 277 |  |  |
CD2 | 8165 | 115.549 | 140.309 | 131.574 | 1.208 | 192 |  |  |
CE1 | 10053 | 114.754 | 139.560 | 130.726 | 1.322 | 228 |  |  |
CE2 | 7088 | 114.7 | 139.70 | 130.760 | 1.213 | 161 |  |  |
CG | 375 | 127.24 | 156.3 | 138.248 | 2.832 | 15 |  |  |
CZ | 7421 | 115.100 | 147.2589 | 129.252 | 1.476 | 156 |  |  |
N | 39576 | 101.474 | 139.02 | 120.363 | 4.076 | 233 |  |  |
PRO | H | 8 | 7.808 | 9.1660 | 8.519 | 0.473 | |  |  |
HA | 29235 | 1.044 | 8.080 | 4.386 | 0.322 | 863 |  |  |
HB2 | 26700 | -0.75 | 4.590 | 2.078 | 0.340 | 750 |  |  |
HB3 | 25910 | -0.785 | 3.79 | 2.004 | 0.349 | 734 |  |  |
HD2 | 24296 | 0.48 | 5.357 | 3.651 | 0.342 | 806 |  |  |
HD3 | 23453 | 0.10 | 5.357 | 3.620 | 0.369 | 915 |  |  |
HG2 | 23725 | -0.7800 | 4.418 | 1.928 | 0.301 | 897 |  |  |
HG3 | 22018 | -0.880 | 4.418 | 1.906 | 0.312 | 846 |  |  |
C | 29459 | 168.381 | 183.423 | 176.770 | 1.444 | 419 |  |  |
CA | 40843 | 45.436 | 72.28 | 63.335 | 1.485 | 488 |  |  |
CB | 37700 | 20.914 | 50.25 | 31.834 | 1.147 | 950 |  |  |
CD | 21682 | 26.918 | 66.221 | 50.342 | 1.044 | 471 |  |  |
CG | 21770 | 18.2800 | 50.753 | 27.200 | 1.105 | 497 |  |  |
N | 2455 | 110.492 | 145.739 | 135.616 | 5.000 | 344 |  |  |
SER | H | 74602 | 2.9640 | 13.13 | 8.274 | 0.556 | 1054 |  |  |
HA | 44960 | 1.277 | 6.8530 | 4.466 | 0.391 | 1263 |  |  |
HB2 | 40652 | 1.673 | 5.660 | 3.870 | 0.250 | 1024 |  |  |
HB3 | 37587 | 1.190 | 5.574 | 3.847 | 0.268 | 954 |  |  |
HG | 752 | 0.13 | 8.97 | 5.337 | 1.042 | 41 |  |  |
C | 48082 | 164.470 | 197.1 | 174.633 | 1.685 | 551 |  |  |
CA | 66879 | 45.13 | 73.678 | 58.681 | 2.032 | 320 |  |  |
CB | 61455 | 30.972 | 78.834 | 63.791 | 1.494 | 943 |  |  |
N | 71361 | 95.97 | 133.684 | 116.316 | 3.374 | 830 |  |  |
THR | H | 64335 | 5.173 | 11.804 | 8.224 | 0.605 | 821 |  |  |
HA | 38825 | 1.65 | 7.468 | 4.446 | 0.467 | 333 |  |  |
HB | 34825 | 0.92 | 8.346 | 4.166 | 0.319 | 535 |  |  |
HG1 | 1222 | -1.783 | 9.129 | 5.061 | 1.327 | 59 |  |  |
MG | 34823 | -0.973 | 3.28 | 1.138 | 0.210 | 1126 |  |  |
C | 40757 | 165.5 | 185.319 | 174.554 | 1.693 | 461 |  |  |
CA | 56583 | 40.737 | 73.254 | 62.206 | 2.546 | 182 |  |  |
CB | 51886 | 28.964 | 81.526 | 69.693 | 1.690 | 630 |  |  |
CG2 | 29966 | 11.7 | 36.170 | 21.550 | 1.090 | 698 |  |  |
N | 61620 | 95.262 | 141.606 | 115.329 | 4.670 | 429 |  |  |
TRP | H | 13373 | 5.16 | 11.75862 | 8.260 | 0.764 | 127 |  |  |
HA | 8145 | 2.043 | 6.89 | 4.651 | 0.509 | 112 |  |  |
HB2 | 7591 | 0.42 | 4.54 | 3.188 | 0.333 | 174 |  |  |
HB3 | 7359 | 0.257 | 5.620 | 3.126 | 0.361 | 169 |  |  |
HD1 | 6658 | 4.90 | 8.93 | 7.139 | 0.333 | 190 |  |  |
HE1 | 7713 | 4.69 | 13.490 | 10.089 | 0.634 | 208 |  |  |
HE3 | 5759 | 4.89 | 10 | 7.326 | 0.406 | 200 |  |  |
HH2 | 5704 | 4.372 | 8.797 | 6.984 | 0.350 | 222 |  |  |
HZ2 | 6167 | 4.655 | 8.5980 | 7.289 | 0.313 | 212 |  |  |
HZ3 | 5561 | 3.877 | 8.898 | 6.881 | 0.366 | 178 |  |  |
C | 7990 | 166.766 | 182.7 | 176.244 | 1.978 | 53 |  |  |
CA | 11211 | 43.503 | 81.0 | 57.750 | 2.494 | 47 |  |  |
CB | 10240 | 18.633 | 52.3 | 29.888 | 1.958 | 111 |  |  |
CD1 | 4117 | 108.450 | 135.599 | 126.572 | 1.837 | 122 |  |  |
CD2 | 140 | 22.530 | 132.622 | 127.266 | 9.117 | 4 |  |  |
CE2 | 159 | 113.888 | 177.710 | 137.632 | 6.681 | 8 |  |  |
CE3 | 3433 | 93.343 | 137.6 | 120.505 | 1.794 | 111 |  |  |
CG | 194 | 102.53 | 116.526 | 110.962 | 1.893 | 8 |  |  |
CH2 | 3659 | 91.616 | 131.540 | 123.803 | 1.523 | 97 |  |  |
CZ2 | 3917 | 81.812 | 132.031 | 114.265 | 1.383 | 111 |  |  |
CZ3 | 3490 | 98.613 | 138.390 | 121.371 | 1.599 | 99 |  |  |
N | 12193 | 101.970 | 138.113 | 121.545 | 4.019 | 170 |  |  |
NE1 | 6119 | 106.0 | 141.38 | 129.262 | 2.128 | 174 |  |  |
TYR | H | 36075 | 4.156 | 12.34 | 8.278 | 0.714 | 274 |  |  |
HA | 21500 | 1.188 | 6.825 | 4.598 | 0.542 | 286 |  |  |
HB2 | 19732 | -0.494 | 4.7 | 2.909 | 0.361 | 430 |  |  |
HB3 | 19211 | -0.192 | 4.7 | 2.846 | 0.381 | 464 |  |  |
HD1 | 16843 | 4.684 | 8.538 | 6.941 | 0.288 | 510 |  |  |
HD2 | 14689 | 4.43 | 8.538 | 6.937 | 0.288 | 452 |  |  |
HE1 | 15969 | 4.58 | 8.0400 | 6.702 | 0.221 | 457 |  |  |
HE2 | 14021 | 4.58 | 8.5 | 6.704 | 0.223 | 388 |  |  |
HH | 282 | -0.788 | 13.748 | 9.079 | 1.583 | 11 |  |  |
C | 21901 | 165.167 | 184.78 | 175.543 | 1.936 | 149 |  |  |
CA | 30306 | 38.582 | 69.56 | 58.163 | 2.476 | 82 |  |  |
CB | 27848 | 25.321 | 57.732 | 39.229 | 2.114 | 216 |  |  |
CD1 | 10263 | 115.3 | 141.572 | 132.730 | 1.355 | 248 |  |  |
CD2 | 7192 | 113.003 | 139.472 | 132.720 | 1.471 | 149 |  |  |
CE1 | 10116 | 92.486 | 137.420 | 117.947 | 1.325 | 234 |  |  |
CE2 | 7090 | 106.548 | 135.823 | 117.922 | 1.242 | 136 |  |  |
CG | 341 | 117.7 | 155.9 | 129.665 | 3.296 | 12 |  |  |
CZ | 224 | 126.43 | 161.75577 | 156.898 | 2.476 | 6 |  |  |
N | 33692 | 61.07 | 144.96 | 120.448 | 4.048 | 276 |  |  |
VAL | H | 77314 | 3.98 | 12.585 | 8.265 | 0.655 | 542 |  |  |
HA | 47161 | 0.972 | 6.298 | 4.157 | 0.565 | 221 |  |  |
HB | 43266 | -1.240 | 3.758 | 1.986 | 0.309 | 957 |  |  |
MG1 | 44320 | -1.55 | 2.573 | 0.823 | 0.260 | 1352 |  |  |
MG2 | 43598 | -2.32 | 3.32 | 0.806 | 0.277 | 1265 |  |  |
C | 50096 | 164.438 | 183.949 | 175.718 | 1.842 | 342 |  |  |
CA | 68485 | 39.654 | 77.145 | 62.531 | 2.823 | 144 |  |  |
CB | 62919 | 17.205 | 45.331 | 32.668 | 1.761 | 417 |  |  |
CG1 | 39514 | 12.071 | 32.27 | 21.490 | 1.357 | 574 |  |  |
CG2 | 38264 | 11.375 | 33.118 | 21.303 | 1.517 | 478 |  |  |
N | 74742 | 93.758 | 143.29 | 121.076 | 4.329 | 867 |  |  |