REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1vq9_1_1 DATA FIRST_RESID 1 DATA SEQUENCE TGAGTPSQGK KNTTTHTKCR RCGEKSYHTK KKVCSSCGFG KSAKRRDYEW DATA SEQUENCE QSKAGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.700 174.700 0.001 0.000 1.109 1 T CA 0.000 62.100 62.100 0.001 0.000 1.349 1 T CB 0.000 68.868 68.868 0.001 0.000 0.612 2 G N 0.887 109.687 108.800 0.001 0.000 2.544 2 G HA2 0.498 4.458 3.960 0.000 0.000 0.242 2 G HA3 0.498 4.458 3.960 0.000 0.000 0.242 2 G C 1.058 175.959 174.900 0.001 0.000 1.247 2 G CA -0.163 44.937 45.100 0.001 0.000 0.840 2 G HN 0.979 nan 8.290 nan 0.000 0.578 3 A N 1.208 124.029 122.820 0.001 0.000 2.167 3 A HA 0.325 4.645 4.320 0.000 0.000 0.214 3 A C 1.895 179.481 177.584 0.002 0.000 1.151 3 A CA 1.496 53.534 52.037 0.002 0.000 0.735 3 A CB -0.438 18.563 19.000 0.001 0.000 0.802 3 A HN 0.923 nan 8.150 nan 0.000 0.467 4 G N -0.808 107.993 108.800 0.002 0.000 3.152 4 G HA2 0.192 4.152 3.960 0.000 0.000 0.157 4 G HA3 0.192 4.152 3.960 0.000 0.000 0.157 4 G C 1.243 176.145 174.900 0.003 0.000 1.786 4 G CA 0.947 46.049 45.100 0.002 0.000 1.055 4 G HN 0.245 nan 8.290 nan 0.000 0.528 5 T N 2.533 117.089 114.554 0.002 0.000 2.699 5 T HA -0.108 4.242 4.350 0.000 0.000 0.268 5 T C 0.027 174.729 174.700 0.003 0.000 1.036 5 T CA 1.893 63.995 62.100 0.003 0.000 1.147 5 T CB -1.156 67.713 68.868 0.002 0.000 0.862 5 T HN 0.344 nan 8.240 nan 0.000 0.446 6 P HA 0.019 nan 4.420 nan 0.000 0.216 6 P C 1.340 178.641 177.300 0.003 0.000 1.150 6 P CA 1.054 64.156 63.100 0.002 0.000 0.837 6 P CB -0.129 31.572 31.700 0.002 0.000 0.786 7 S N -0.370 115.332 115.700 0.003 0.000 2.562 7 S HA -0.006 4.464 4.470 0.000 0.000 0.221 7 S C 1.751 176.353 174.600 0.004 0.000 0.975 7 S CA 0.443 58.645 58.200 0.003 0.000 0.918 7 S CB -0.369 62.833 63.200 0.004 0.000 0.772 7 S HN 0.186 nan 8.310 nan 0.000 0.531 8 Q N 0.719 120.522 119.800 0.005 0.000 2.311 8 Q HA 0.128 4.468 4.340 0.000 0.000 0.203 8 Q C 2.122 178.125 176.000 0.005 0.000 0.954 8 Q CA 0.790 56.597 55.803 0.005 0.000 0.885 8 Q CB -0.761 27.980 28.738 0.005 0.000 0.963 8 Q HN 0.576 nan 8.270 nan 0.000 0.471 9 G N 0.912 109.715 108.800 0.004 0.000 2.534 9 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 9 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 9 G C 1.376 176.278 174.900 0.003 0.000 1.128 9 G CA 0.109 45.212 45.100 0.004 0.000 0.784 9 G HN 0.253 nan 8.290 nan 0.000 0.542 10 K N 0.091 120.493 120.400 0.003 0.000 2.426 10 K HA 0.081 4.401 4.320 0.000 0.000 0.193 10 K C 0.368 176.970 176.600 0.003 0.000 1.028 10 K CA 0.086 56.375 56.287 0.003 0.000 1.047 10 K CB 0.232 32.734 32.500 0.003 0.000 0.821 10 K HN 0.148 nan 8.250 nan 0.000 0.513 11 K N 2.871 123.274 120.400 0.004 0.000 2.220 11 K HA 0.032 4.352 4.320 0.000 0.000 0.283 11 K C 0.181 176.782 176.600 0.003 0.000 1.098 11 K CA -0.050 56.240 56.287 0.005 0.000 0.928 11 K CB 0.121 32.626 32.500 0.008 0.000 1.214 11 K HN 0.168 nan 8.250 nan 0.000 0.442 12 N N 0.630 119.330 118.700 -0.000 0.000 2.217 12 N HA -0.005 4.735 4.740 0.000 0.000 0.239 12 N C -0.543 174.963 175.510 -0.007 0.000 1.330 12 N CA -0.398 52.651 53.050 -0.002 0.000 0.838 12 N CB 0.599 39.086 38.487 -0.001 0.000 1.287 12 N HN 0.040 nan 8.380 nan 0.000 0.498 13 T N 0.572 115.119 114.554 -0.011 0.000 2.899 13 T HA 0.370 4.720 4.350 0.000 0.000 0.284 13 T C -0.291 174.387 174.700 -0.038 0.000 1.004 13 T CA 0.365 62.452 62.100 -0.023 0.000 1.043 13 T CB 1.349 70.202 68.868 -0.024 0.000 1.013 13 T HN 0.022 nan 8.240 nan 0.000 0.518 14 T N 1.847 116.367 114.554 -0.057 0.000 2.809 14 T HA 0.429 4.779 4.350 0.000 0.000 0.296 14 T C 1.127 175.726 174.700 -0.169 0.000 1.015 14 T CA -0.680 61.373 62.100 -0.079 0.000 0.954 14 T CB 1.016 69.855 68.868 -0.048 0.000 0.950 14 T HN 0.834 nan 8.240 nan 0.000 0.450 15 T N -0.468 113.919 114.554 -0.279 0.000 3.391 15 T HA 0.172 4.522 4.350 0.000 0.000 0.233 15 T C 0.543 174.824 174.700 -0.699 0.000 0.960 15 T CA -0.090 61.601 62.100 -0.681 0.000 1.342 15 T CB -0.176 68.134 68.868 -0.929 0.000 1.124 15 T HN 0.526 nan 8.240 nan 0.000 0.396 16 H N 3.392 122.287 119.070 -0.293 0.000 2.819 16 H HA 0.497 5.053 4.556 0.000 0.000 0.303 16 H C 0.324 175.639 175.328 -0.022 0.000 1.058 16 H CA 0.507 56.484 56.048 -0.118 0.000 1.471 16 H CB 0.507 30.246 29.762 -0.039 0.000 1.480 16 H HN 0.672 nan 8.280 nan 0.000 0.517 17 T N -0.200 114.440 114.554 0.144 0.000 2.887 17 T HA 0.317 4.667 4.350 0.000 0.000 0.292 17 T C 0.051 174.868 174.700 0.195 0.000 1.087 17 T CA -1.355 60.835 62.100 0.150 0.000 1.009 17 T CB 2.225 71.178 68.868 0.142 0.000 1.203 17 T HN 0.314 nan 8.240 nan 0.000 0.518 18 K N 0.512 120.990 120.400 0.129 0.000 2.491 18 K HA 0.166 4.486 4.320 0.000 0.000 0.279 18 K C -0.096 176.564 176.600 0.099 0.000 1.026 18 K CA -0.255 56.090 56.287 0.095 0.000 1.070 18 K CB -0.439 32.091 32.500 0.050 0.000 0.887 18 K HN 0.772 nan 8.250 nan 0.000 0.481 19 C N 6.295 125.647 119.300 0.087 0.000 2.415 19 C HA 0.273 4.733 4.460 0.000 0.000 0.369 19 C C 1.823 176.737 174.990 -0.128 0.000 1.279 19 C CA -0.619 58.411 59.018 0.020 0.000 1.886 19 C CB -0.053 27.753 27.740 0.111 0.000 2.468 19 C HN 1.116 nan 8.230 nan 0.000 0.553 20 R N 2.918 123.269 120.500 -0.248 0.000 2.127 20 R HA -0.121 4.219 4.340 0.000 0.000 0.238 20 R C 2.323 178.368 176.300 -0.424 0.000 1.134 20 R CA 1.680 57.604 56.100 -0.294 0.000 0.975 20 R CB -0.229 29.906 30.300 -0.275 0.000 0.865 20 R HN 0.848 nan 8.270 nan 0.000 0.447 21 R N -0.186 119.942 120.500 -0.621 0.000 2.128 21 R HA -0.056 4.284 4.340 0.000 0.000 0.211 21 R C 2.065 178.201 176.300 -0.275 0.000 1.067 21 R CA 1.475 57.223 56.100 -0.588 0.000 1.010 21 R CB 0.071 29.833 30.300 -0.897 0.000 0.922 21 R HN 0.472 nan 8.270 nan 0.000 0.457 22 C N -3.008 116.190 119.300 -0.171 0.000 3.403 22 C HA 0.549 5.009 4.460 0.000 0.000 0.317 22 C C 1.448 176.405 174.990 -0.054 0.000 1.346 22 C CA 0.185 59.152 59.018 -0.085 0.000 1.743 22 C CB 0.453 28.173 27.740 -0.034 0.000 2.308 22 C HN 0.608 nan 8.230 nan 0.000 0.675 23 G N 0.857 109.625 108.800 -0.054 0.000 2.199 23 G HA2 -0.166 3.794 3.960 0.000 0.000 0.254 23 G HA3 -0.166 3.794 3.960 0.000 0.000 0.254 23 G C -0.257 174.645 174.900 0.004 0.000 0.982 23 G CA 0.455 45.538 45.100 -0.028 0.000 0.632 23 G HN 0.598 nan 8.290 nan 0.000 0.529 24 E N 0.374 120.587 120.200 0.023 0.000 2.343 24 E HA 0.305 4.655 4.350 0.000 0.000 0.269 24 E C 0.552 177.197 176.600 0.074 0.000 1.047 24 E CA -0.545 55.881 56.400 0.043 0.000 0.874 24 E CB 1.050 30.780 29.700 0.050 0.000 1.033 24 E HN 0.401 nan 8.360 nan 0.000 0.409 25 K N 1.411 121.853 120.400 0.070 0.000 2.480 25 K HA 0.126 4.446 4.320 0.000 0.000 0.241 25 K C -0.314 176.364 176.600 0.131 0.000 1.261 25 K CA 0.157 56.503 56.287 0.098 0.000 1.193 25 K CB -0.268 32.274 32.500 0.071 0.000 1.598 25 K HN 0.171 nan 8.250 nan 0.000 0.278 26 S N 1.343 117.158 115.700 0.191 0.000 2.787 26 S HA 0.010 4.480 4.470 0.000 0.000 0.255 26 S C -0.835 174.017 174.600 0.421 0.000 1.051 26 S CA -0.494 57.852 58.200 0.245 0.000 1.124 26 S CB -0.022 63.268 63.200 0.151 0.000 1.104 26 S HN 0.529 nan 8.310 nan 0.000 0.623 27 Y N 3.724 124.160 120.300 0.226 0.000 2.584 27 Y HA 0.281 4.831 4.550 0.000 0.000 0.351 27 Y C 0.377 176.371 175.900 0.157 0.000 1.030 27 Y CA -1.088 57.139 58.100 0.210 0.000 1.332 27 Y CB -0.434 38.135 38.460 0.181 0.000 1.148 27 Y HN 0.247 nan 8.280 nan 0.000 0.528 28 H N 4.249 123.155 119.070 -0.273 0.000 3.232 28 H HA 0.028 4.584 4.556 0.000 0.000 0.254 28 H C 1.457 176.462 175.328 -0.539 0.000 1.213 28 H CA 0.610 56.392 56.048 -0.444 0.000 1.503 28 H CB 0.602 30.128 29.762 -0.394 0.000 1.563 28 H HN 0.842 nan 8.280 nan 0.000 0.490 29 T N 3.183 117.537 114.554 -0.333 0.000 3.118 29 T HA -0.096 4.254 4.350 0.000 0.000 0.269 29 T C 1.568 176.215 174.700 -0.089 0.000 1.166 29 T CA 1.348 63.332 62.100 -0.193 0.000 1.073 29 T CB -0.049 68.791 68.868 -0.048 0.000 0.884 29 T HN 0.626 nan 8.240 nan 0.000 0.550 30 K N -0.368 120.067 120.400 0.059 0.000 2.313 30 K HA 0.175 4.495 4.320 0.000 0.000 0.197 30 K C 2.110 178.710 176.600 0.000 0.000 1.061 30 K CA 0.435 56.772 56.287 0.084 0.000 0.980 30 K CB 0.300 32.896 32.500 0.160 0.000 0.888 30 K HN 0.222 nan 8.250 nan 0.000 0.502 31 K N 0.450 120.819 120.400 -0.052 0.000 2.352 31 K HA 0.093 4.413 4.320 0.000 0.000 0.194 31 K C -0.136 176.344 176.600 -0.200 0.000 1.038 31 K CA 0.085 56.250 56.287 -0.204 0.000 1.023 31 K CB 0.518 32.799 32.500 -0.365 0.000 0.840 31 K HN -0.164 nan 8.250 nan 0.000 0.519 32 K N 0.536 120.743 120.400 -0.323 0.000 3.125 32 K HA -0.126 4.194 4.320 0.000 0.000 0.268 32 K C -1.074 175.316 176.600 -0.350 0.000 1.078 32 K CA 0.408 56.410 56.287 -0.476 0.000 0.775 32 K CB -2.288 30.151 32.500 -0.102 0.000 1.253 32 K HN 0.048 nan 8.250 nan 0.000 0.486 33 V N 0.179 119.874 119.914 -0.365 0.000 2.686 33 V HA 0.228 4.348 4.120 0.000 0.000 0.306 33 V C 0.125 176.282 176.094 0.103 0.000 1.065 33 V CA -1.181 61.094 62.300 -0.041 0.000 0.894 33 V CB 2.386 34.190 31.823 -0.032 0.000 1.004 33 V HN 0.438 nan 8.190 nan 0.000 0.424 34 C N 4.305 123.811 119.300 0.344 0.000 2.373 34 C HA 0.367 4.827 4.460 0.000 0.000 0.354 34 C C 1.935 177.085 174.990 0.266 0.000 1.249 34 C CA 0.281 59.535 59.018 0.393 0.000 1.784 34 C CB 0.121 28.142 27.740 0.468 0.000 2.408 34 C HN 1.103 nan 8.230 nan 0.000 0.542 35 S N 3.345 119.198 115.700 0.255 0.000 2.561 35 S HA -0.082 4.388 4.470 0.000 0.000 0.225 35 S C 1.605 176.309 174.600 0.174 0.000 0.977 35 S CA 1.257 59.579 58.200 0.203 0.000 0.926 35 S CB -0.087 63.228 63.200 0.193 0.000 0.769 35 S HN 0.863 nan 8.310 nan 0.000 0.533 36 S N 0.669 116.469 115.700 0.166 0.000 2.444 36 S HA 0.004 4.474 4.470 0.000 0.000 0.223 36 S C 1.889 176.559 174.600 0.117 0.000 1.054 36 S CA 0.695 58.972 58.200 0.128 0.000 0.947 36 S CB -0.472 62.787 63.200 0.098 0.000 0.850 36 S HN 0.889 nan 8.310 nan 0.000 0.527 37 C N 0.266 119.641 119.300 0.126 0.000 3.038 37 C HA 0.721 5.181 4.460 0.000 0.000 0.279 37 C C 1.851 176.918 174.990 0.128 0.000 1.276 37 C CA 0.235 59.310 59.018 0.095 0.000 1.697 37 C CB -0.535 27.245 27.740 0.067 0.000 2.032 37 C HN 0.875 nan 8.230 nan 0.000 0.636 38 G N 0.532 109.440 108.800 0.179 0.000 2.205 38 G HA2 -0.290 3.670 3.960 0.000 0.000 0.261 38 G HA3 -0.290 3.670 3.960 0.000 0.000 0.261 38 G C -0.080 174.961 174.900 0.236 0.000 0.980 38 G CA 0.264 45.471 45.100 0.178 0.000 0.632 38 G HN 0.804 nan 8.290 nan 0.000 0.533 39 F N 1.881 121.894 119.950 0.105 0.000 2.623 39 F HA 0.356 4.883 4.527 0.000 0.000 0.386 39 F C 1.632 177.540 175.800 0.181 0.000 1.068 39 F CA 1.840 59.904 58.000 0.107 0.000 1.265 39 F CB 0.438 39.482 39.000 0.074 0.000 1.026 39 F HN 1.268 nan 8.300 nan 0.000 0.568 40 G N 4.361 112.965 108.800 -0.327 0.000 2.284 40 G HA2 -0.347 3.613 3.960 0.000 0.000 0.230 40 G HA3 -0.347 3.613 3.960 0.000 0.000 0.230 40 G C 1.171 176.018 174.900 -0.087 0.000 1.021 40 G CA 0.470 45.401 45.100 -0.281 0.000 0.619 40 G HN 0.768 nan 8.290 nan 0.000 0.510 41 K N 0.618 121.019 120.400 0.001 0.000 2.216 41 K HA 0.380 4.700 4.320 0.000 0.000 0.207 41 K C 1.165 177.784 176.600 0.030 0.000 1.041 41 K CA 1.285 57.585 56.287 0.023 0.000 0.966 41 K CB 0.253 32.789 32.500 0.059 0.000 0.955 41 K HN 0.744 nan 8.250 nan 0.000 0.468 42 S N -1.314 114.420 115.700 0.057 0.000 2.570 42 S HA 0.572 5.042 4.470 0.000 0.000 0.286 42 S C 0.457 175.100 174.600 0.072 0.000 1.099 42 S CA -0.502 57.728 58.200 0.051 0.000 0.913 42 S CB 1.856 65.080 63.200 0.039 0.000 1.085 42 S HN 0.228 nan 8.310 nan 0.000 0.480 43 A N 1.673 124.525 122.820 0.055 0.000 1.968 43 A HA 0.148 4.468 4.320 0.000 0.000 0.217 43 A C 0.975 178.587 177.584 0.048 0.000 1.169 43 A CA 0.796 52.871 52.037 0.064 0.000 0.638 43 A CB -0.484 18.541 19.000 0.042 0.000 0.812 43 A HN 0.788 nan 8.150 nan 0.000 0.446 44 K N 0.373 120.788 120.400 0.024 0.000 2.168 44 K HA 0.273 4.593 4.320 0.000 0.000 0.258 44 K C -0.172 176.426 176.600 -0.003 0.000 1.010 44 K CA -0.589 55.697 56.287 -0.002 0.000 0.929 44 K CB 0.504 32.990 32.500 -0.023 0.000 0.998 44 K HN 0.162 nan 8.250 nan 0.000 0.479 45 R N 2.334 122.817 120.500 -0.029 0.000 2.389 45 R HA 0.058 4.398 4.340 0.000 0.000 0.295 45 R C 0.180 176.426 176.300 -0.090 0.000 1.075 45 R CA -0.201 55.877 56.100 -0.037 0.000 1.005 45 R CB 0.680 30.951 30.300 -0.048 0.000 0.987 45 R HN 0.565 nan 8.270 nan 0.000 0.452 46 R N 2.268 122.729 120.500 -0.065 0.000 2.502 46 R HA -0.084 4.256 4.340 0.000 0.000 0.292 46 R C -0.833 175.306 176.300 -0.268 0.000 0.998 46 R CA 0.761 56.776 56.100 -0.143 0.000 1.056 46 R CB 0.229 30.540 30.300 0.020 0.000 0.939 46 R HN 0.474 nan 8.270 nan 0.000 0.411 47 D N 2.895 122.938 120.400 -0.594 0.000 2.736 47 D HA 0.344 4.984 4.640 0.000 0.000 0.223 47 D C -1.867 173.829 176.300 -1.007 0.000 1.231 47 D CA -0.284 53.380 54.000 -0.560 0.000 0.818 47 D CB 0.917 41.505 40.800 -0.352 0.000 1.587 47 D HN 0.416 nan 8.370 nan 0.000 0.463 48 Y N 0.785 120.802 120.300 -0.472 0.000 2.513 48 Y HA 0.222 4.772 4.550 0.000 0.000 0.340 48 Y C 0.998 176.509 175.900 -0.648 0.000 1.055 48 Y CA -0.788 56.881 58.100 -0.718 0.000 1.020 48 Y CB 2.137 39.667 38.460 -1.550 0.000 1.301 48 Y HN 0.197 nan 8.280 nan 0.000 0.453 49 E N 2.058 122.109 120.200 -0.248 0.000 2.338 49 E HA -0.116 4.234 4.350 0.000 0.000 0.197 49 E C 1.400 177.981 176.600 -0.032 0.000 1.007 49 E CA 0.888 57.224 56.400 -0.108 0.000 0.849 49 E CB 0.002 29.703 29.700 0.002 0.000 0.774 49 E HN 0.810 nan 8.360 nan 0.000 0.506 50 W N 0.359 121.721 121.300 0.103 0.000 3.180 50 W HA 0.107 4.767 4.660 0.000 0.000 0.254 50 W C 0.668 177.220 176.519 0.054 0.000 1.318 50 W CA -0.166 57.212 57.345 0.056 0.000 1.608 50 W CB -0.459 29.015 29.460 0.023 0.000 1.124 50 W HN 0.025 nan 8.180 nan 0.000 0.694 51 Q N 1.750 121.523 119.800 -0.045 0.000 2.482 51 Q HA -0.006 4.334 4.340 0.000 0.000 0.209 51 Q C 0.710 176.743 176.000 0.056 0.000 0.961 51 Q CA 0.759 56.561 55.803 -0.001 0.000 0.945 51 Q CB 0.200 28.818 28.738 -0.201 0.000 1.012 51 Q HN 0.229 nan 8.270 nan 0.000 0.515 52 S N -1.226 114.515 115.700 0.069 0.000 2.596 52 S HA 0.403 4.873 4.470 0.000 0.000 0.270 52 S C -0.903 173.741 174.600 0.074 0.000 1.155 52 S CA -1.220 57.014 58.200 0.056 0.000 0.827 52 S CB 1.719 64.930 63.200 0.018 0.000 1.130 52 S HN -0.175 nan 8.310 nan 0.000 0.467 53 K N 1.127 121.561 120.400 0.057 0.000 2.489 53 K HA 0.287 4.607 4.320 0.000 0.000 0.278 53 K C 1.683 178.312 176.600 0.049 0.000 1.000 53 K CA 0.567 56.886 56.287 0.054 0.000 1.012 53 K CB 0.486 33.009 32.500 0.038 0.000 0.903 53 K HN 0.825 nan 8.250 nan 0.000 0.485 54 A N 3.512 126.364 122.820 0.054 0.000 1.869 54 A HA -0.179 4.141 4.320 0.000 0.000 0.218 54 A C 1.650 179.254 177.584 0.033 0.000 1.203 54 A CA 2.283 54.349 52.037 0.048 0.000 0.638 54 A CB -0.826 18.202 19.000 0.048 0.000 0.831 54 A HN 0.763 nan 8.150 nan 0.000 0.450 55 G N -0.812 108.004 108.800 0.027 0.000 3.474 55 G HA2 0.416 4.376 3.960 0.000 0.000 0.269 55 G HA3 0.416 4.376 3.960 0.000 0.000 0.269 55 G C 0.063 174.973 174.900 0.016 0.000 1.339 55 G CA 0.631 45.743 45.100 0.019 0.000 1.258 55 G HN 0.704 nan 8.290 nan 0.000 0.560 56 E N 0.000 120.210 120.200 0.017 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.407 56.400 0.012 0.000 0.000 56 E CB 0.000 29.709 29.700 0.014 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000