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 1vq4_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 68.869 68.868 0.001 0.000 0.612 2 G N 0.803 109.604 108.800 0.001 0.000 2.491 2 G HA2 0.478 4.438 3.960 0.000 0.000 0.242 2 G HA3 0.478 4.438 3.960 0.000 0.000 0.242 2 G C 1.027 175.928 174.900 0.001 0.000 1.266 2 G CA -0.054 45.047 45.100 0.001 0.000 0.844 2 G HN 1.020 nan 8.290 nan 0.000 0.571 3 A N 1.809 124.630 122.820 0.001 0.000 2.208 3 A HA 0.374 4.694 4.320 0.000 0.000 0.209 3 A C 1.778 179.364 177.584 0.003 0.000 1.161 3 A CA 1.277 53.315 52.037 0.002 0.000 0.782 3 A CB -0.298 18.703 19.000 0.002 0.000 0.816 3 A HN 0.912 nan 8.150 nan 0.000 0.477 4 G N -0.960 107.842 108.800 0.002 0.000 3.086 4 G HA2 0.241 4.201 3.960 0.000 0.000 0.159 4 G HA3 0.241 4.201 3.960 0.000 0.000 0.159 4 G C 1.198 176.100 174.900 0.003 0.000 1.654 4 G CA 0.859 45.960 45.100 0.003 0.000 1.078 4 G HN 0.208 nan 8.290 nan 0.000 0.558 5 T N 2.683 117.239 114.554 0.003 0.000 2.624 5 T HA -0.156 4.194 4.350 0.000 0.000 0.266 5 T C 0.066 174.768 174.700 0.003 0.000 1.050 5 T CA 2.200 64.302 62.100 0.003 0.000 1.163 5 T CB -1.286 67.584 68.868 0.003 0.000 0.861 5 T HN 0.389 nan 8.240 nan 0.000 0.443 6 P HA 0.004 nan 4.420 nan 0.000 0.219 6 P C 1.227 178.529 177.300 0.003 0.000 1.146 6 P CA 1.120 64.222 63.100 0.002 0.000 0.808 6 P CB -0.130 31.571 31.700 0.002 0.000 0.779 7 S N -0.638 115.064 115.700 0.003 0.000 2.593 7 S HA 0.025 4.495 4.470 0.000 0.000 0.217 7 S C 1.703 176.306 174.600 0.005 0.000 0.966 7 S CA 0.280 58.482 58.200 0.004 0.000 0.914 7 S CB -0.298 62.904 63.200 0.004 0.000 0.776 7 S HN 0.150 nan 8.310 nan 0.000 0.523 8 Q N 0.737 120.540 119.800 0.005 0.000 2.331 8 Q HA 0.142 4.482 4.340 0.000 0.000 0.203 8 Q C 2.125 178.128 176.000 0.005 0.000 0.944 8 Q CA 0.729 56.536 55.803 0.006 0.000 0.892 8 Q CB -0.853 27.888 28.738 0.006 0.000 0.983 8 Q HN 0.564 nan 8.270 nan 0.000 0.482 9 G N 1.037 109.840 108.800 0.004 0.000 2.509 9 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 9 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 9 G C 1.282 176.184 174.900 0.004 0.000 1.124 9 G CA 0.244 45.347 45.100 0.004 0.000 0.776 9 G HN 0.288 nan 8.290 nan 0.000 0.547 10 K N 0.116 120.518 120.400 0.004 0.000 2.404 10 K HA 0.102 4.422 4.320 0.000 0.000 0.194 10 K C 0.425 177.027 176.600 0.004 0.000 1.023 10 K CA 0.021 56.310 56.287 0.003 0.000 1.094 10 K CB 0.347 32.849 32.500 0.003 0.000 0.841 10 K HN 0.133 nan 8.250 nan 0.000 0.523 11 K N 2.943 123.345 120.400 0.005 0.000 2.155 11 K HA 0.031 4.351 4.320 0.000 0.000 0.240 11 K C 0.110 176.712 176.600 0.003 0.000 1.193 11 K CA -0.080 56.210 56.287 0.005 0.000 1.104 11 K CB -0.093 32.412 32.500 0.008 0.000 1.558 11 K HN 0.170 nan 8.250 nan 0.000 0.313 12 N N 0.039 118.740 118.700 0.001 0.000 2.365 12 N HA 0.002 4.742 4.740 0.000 0.000 0.257 12 N C -0.701 174.806 175.510 -0.005 0.000 1.287 12 N CA -0.435 52.615 53.050 -0.001 0.000 0.882 12 N CB 0.639 39.127 38.487 0.001 0.000 1.250 12 N HN -0.065 nan 8.380 nan 0.000 0.507 13 T N 0.326 114.875 114.554 -0.009 0.000 2.875 13 T HA 0.359 4.709 4.350 0.000 0.000 0.284 13 T C -0.243 174.436 174.700 -0.035 0.000 0.995 13 T CA 0.060 62.148 62.100 -0.019 0.000 1.060 13 T CB 1.574 70.430 68.868 -0.019 0.000 0.967 13 T HN 0.013 nan 8.240 nan 0.000 0.476 14 T N 2.483 117.009 114.554 -0.047 0.000 2.749 14 T HA 0.455 4.805 4.350 0.000 0.000 0.287 14 T C 1.191 175.801 174.700 -0.150 0.000 0.970 14 T CA -0.598 61.461 62.100 -0.067 0.000 0.980 14 T CB 1.019 69.864 68.868 -0.037 0.000 0.924 14 T HN 0.859 nan 8.240 nan 0.000 0.456 15 T N -0.151 114.255 114.554 -0.247 0.000 3.478 15 T HA 0.189 4.539 4.350 0.000 0.000 0.223 15 T C 0.472 174.808 174.700 -0.606 0.000 0.958 15 T CA -0.251 61.477 62.100 -0.621 0.000 1.324 15 T CB -0.204 68.133 68.868 -0.884 0.000 1.262 15 T HN 0.540 nan 8.240 nan 0.000 0.379 16 H N 3.330 122.232 119.070 -0.280 0.000 2.848 16 H HA 0.502 5.058 4.556 0.000 0.000 0.317 16 H C 0.328 175.652 175.328 -0.007 0.000 1.046 16 H CA 0.664 56.649 56.048 -0.106 0.000 1.470 16 H CB 0.591 30.331 29.762 -0.037 0.000 1.483 16 H HN 0.706 nan 8.280 nan 0.000 0.548 17 T N -0.319 114.348 114.554 0.188 0.000 2.887 17 T HA 0.328 4.678 4.350 0.000 0.000 0.292 17 T C 0.013 174.834 174.700 0.202 0.000 1.087 17 T CA -1.356 60.848 62.100 0.174 0.000 1.009 17 T CB 2.234 71.208 68.868 0.177 0.000 1.203 17 T HN 0.335 nan 8.240 nan 0.000 0.518 18 K N 0.317 120.791 120.400 0.124 0.000 2.511 18 K HA 0.208 4.528 4.320 0.000 0.000 0.280 18 K C -0.178 176.464 176.600 0.070 0.000 1.008 18 K CA -0.310 56.025 56.287 0.080 0.000 1.050 18 K CB -0.258 32.263 32.500 0.035 0.000 0.889 18 K HN 0.774 nan 8.250 nan 0.000 0.484 19 C N 6.150 125.480 119.300 0.050 0.000 2.415 19 C HA 0.287 4.747 4.460 0.000 0.000 0.369 19 C C 1.791 176.671 174.990 -0.184 0.000 1.279 19 C CA -0.627 58.370 59.018 -0.036 0.000 1.886 19 C CB 0.030 27.812 27.740 0.071 0.000 2.468 19 C HN 1.115 nan 8.230 nan 0.000 0.553 20 R N 2.978 123.282 120.500 -0.327 0.000 2.159 20 R HA -0.097 4.243 4.340 0.000 0.000 0.237 20 R C 2.261 178.271 176.300 -0.483 0.000 1.131 20 R CA 1.557 57.446 56.100 -0.352 0.000 0.982 20 R CB -0.218 29.882 30.300 -0.334 0.000 0.868 20 R HN 0.849 nan 8.270 nan 0.000 0.453 21 R N -0.237 119.844 120.500 -0.698 0.000 2.105 21 R HA -0.047 4.293 4.340 0.000 0.000 0.214 21 R C 1.978 178.101 176.300 -0.295 0.000 1.091 21 R CA 1.409 57.118 56.100 -0.652 0.000 1.007 21 R CB 0.062 29.755 30.300 -1.012 0.000 0.912 21 R HN 0.447 nan 8.270 nan 0.000 0.450 22 C N -2.266 116.924 119.300 -0.183 0.000 3.336 22 C HA 0.540 5.000 4.460 0.000 0.000 0.291 22 C C 1.417 176.371 174.990 -0.059 0.000 1.363 22 C CA 0.098 59.063 59.018 -0.088 0.000 1.737 22 C CB 0.257 27.979 27.740 -0.029 0.000 2.274 22 C HN 0.640 nan 8.230 nan 0.000 0.663 23 G N 0.971 109.731 108.800 -0.068 0.000 2.212 23 G HA2 -0.195 3.765 3.960 0.000 0.000 0.266 23 G HA3 -0.195 3.765 3.960 0.000 0.000 0.266 23 G C -0.183 174.714 174.900 -0.006 0.000 0.978 23 G CA 0.677 45.753 45.100 -0.041 0.000 0.632 23 G HN 0.655 nan 8.290 nan 0.000 0.537 24 E N 0.321 120.529 120.200 0.013 0.000 2.343 24 E HA 0.253 4.603 4.350 0.000 0.000 0.269 24 E C 0.591 177.231 176.600 0.067 0.000 1.047 24 E CA -0.518 55.903 56.400 0.036 0.000 0.874 24 E CB 1.052 30.777 29.700 0.042 0.000 1.033 24 E HN 0.378 nan 8.360 nan 0.000 0.409 25 K N 1.635 122.072 120.400 0.062 0.000 2.737 25 K HA 0.098 4.418 4.320 0.000 0.000 0.251 25 K C -0.344 176.327 176.600 0.118 0.000 1.280 25 K CA 0.142 56.484 56.287 0.091 0.000 1.219 25 K CB -0.266 32.272 32.500 0.063 0.000 1.587 25 K HN 0.165 nan 8.250 nan 0.000 0.279 26 S N 0.973 116.778 115.700 0.174 0.000 2.819 26 S HA 0.019 4.489 4.470 0.000 0.000 0.249 26 S C -0.830 174.020 174.600 0.416 0.000 1.030 26 S CA -0.513 57.813 58.200 0.210 0.000 1.052 26 S CB -0.034 63.236 63.200 0.116 0.000 1.017 26 S HN 0.482 nan 8.310 nan 0.000 0.576 27 Y N 3.538 123.980 120.300 0.236 0.000 2.539 27 Y HA 0.312 4.862 4.550 0.000 0.000 0.352 27 Y C 0.328 176.333 175.900 0.175 0.000 1.004 27 Y CA -1.138 57.096 58.100 0.223 0.000 1.278 27 Y CB -0.345 38.226 38.460 0.185 0.000 1.136 27 Y HN 0.260 nan 8.280 nan 0.000 0.528 28 H N 4.160 123.076 119.070 -0.256 0.000 3.086 28 H HA 0.039 4.595 4.556 0.000 0.000 0.265 28 H C 1.412 176.428 175.328 -0.521 0.000 1.092 28 H CA 0.613 56.407 56.048 -0.424 0.000 1.487 28 H CB 0.866 30.393 29.762 -0.392 0.000 1.514 28 H HN 0.846 nan 8.280 nan 0.000 0.497 29 T N 3.660 118.050 114.554 -0.274 0.000 3.098 29 T HA -0.072 4.278 4.350 0.000 0.000 0.266 29 T C 1.615 176.286 174.700 -0.049 0.000 1.145 29 T CA 1.105 63.119 62.100 -0.143 0.000 1.092 29 T CB -0.048 68.805 68.868 -0.026 0.000 0.908 29 T HN 0.570 nan 8.240 nan 0.000 0.526 30 K N 0.281 120.739 120.400 0.096 0.000 2.202 30 K HA 0.157 4.477 4.320 0.000 0.000 0.201 30 K C 2.079 178.666 176.600 -0.021 0.000 1.051 30 K CA 0.599 56.933 56.287 0.078 0.000 0.977 30 K CB 0.121 32.714 32.500 0.155 0.000 0.792 30 K HN 0.303 nan 8.250 nan 0.000 0.469 31 K N 0.671 121.023 120.400 -0.081 0.000 2.323 31 K HA 0.056 4.376 4.320 0.000 0.000 0.197 31 K C -0.098 176.378 176.600 -0.206 0.000 1.043 31 K CA 0.048 56.202 56.287 -0.221 0.000 0.997 31 K CB 0.340 32.603 32.500 -0.395 0.000 0.807 31 K HN -0.159 nan 8.250 nan 0.000 0.497 32 K N 0.350 120.560 120.400 -0.316 0.000 3.125 32 K HA -0.127 4.193 4.320 0.000 0.000 0.268 32 K C -1.130 175.266 176.600 -0.339 0.000 1.078 32 K CA 0.419 56.451 56.287 -0.425 0.000 0.775 32 K CB -2.390 30.050 32.500 -0.101 0.000 1.253 32 K HN 0.051 nan 8.250 nan 0.000 0.486 33 V N 0.003 119.690 119.914 -0.379 0.000 2.760 33 V HA 0.246 4.366 4.120 0.000 0.000 0.309 33 V C 0.080 176.217 176.094 0.072 0.000 1.077 33 V CA -1.184 61.070 62.300 -0.077 0.000 0.910 33 V CB 2.475 34.267 31.823 -0.052 0.000 1.008 33 V HN 0.427 nan 8.190 nan 0.000 0.424 34 C N 4.031 123.511 119.300 0.300 0.000 2.373 34 C HA 0.360 4.820 4.460 0.000 0.000 0.354 34 C C 2.032 177.174 174.990 0.253 0.000 1.249 34 C CA 0.322 59.563 59.018 0.371 0.000 1.784 34 C CB 0.192 28.201 27.740 0.449 0.000 2.408 34 C HN 1.134 nan 8.230 nan 0.000 0.542 35 S N 3.431 119.280 115.700 0.249 0.000 2.507 35 S HA -0.100 4.370 4.470 0.000 0.000 0.235 35 S C 1.683 176.383 174.600 0.165 0.000 0.988 35 S CA 1.565 59.883 58.200 0.198 0.000 0.944 35 S CB -0.110 63.198 63.200 0.179 0.000 0.762 35 S HN 0.830 nan 8.310 nan 0.000 0.526 36 S N 0.367 116.163 115.700 0.159 0.000 2.398 36 S HA 0.023 4.493 4.470 0.000 0.000 0.220 36 S C 1.869 176.536 174.600 0.113 0.000 1.046 36 S CA 0.704 58.977 58.200 0.122 0.000 0.953 36 S CB -0.406 62.851 63.200 0.095 0.000 0.856 36 S HN 0.903 nan 8.310 nan 0.000 0.506 37 C N -0.003 119.376 119.300 0.131 0.000 3.183 37 C HA 0.717 5.177 4.460 0.000 0.000 0.285 37 C C 1.741 176.813 174.990 0.136 0.000 1.313 37 C CA 0.153 59.234 59.018 0.104 0.000 1.711 37 C CB -0.436 27.355 27.740 0.085 0.000 2.135 37 C HN 0.768 nan 8.230 nan 0.000 0.651 38 G N 0.693 109.599 108.800 0.177 0.000 2.184 38 G HA2 -0.294 3.666 3.960 0.000 0.000 0.264 38 G HA3 -0.294 3.666 3.960 0.000 0.000 0.264 38 G C -0.136 174.886 174.900 0.204 0.000 0.975 38 G CA 0.277 45.475 45.100 0.164 0.000 0.642 38 G HN 0.848 nan 8.290 nan 0.000 0.536 39 F N 1.658 121.673 119.950 0.110 0.000 2.612 39 F HA 0.381 4.908 4.527 0.000 0.000 0.389 39 F C 1.532 177.438 175.800 0.176 0.000 1.055 39 F CA 1.376 59.446 58.000 0.116 0.000 1.232 39 F CB 0.389 39.451 39.000 0.102 0.000 1.044 39 F HN 1.191 nan 8.300 nan 0.000 0.560 40 G N 4.490 113.006 108.800 -0.473 0.000 2.194 40 G HA2 -0.323 3.637 3.960 0.000 0.000 0.236 40 G HA3 -0.323 3.637 3.960 0.000 0.000 0.236 40 G C 1.020 175.838 174.900 -0.137 0.000 0.987 40 G CA 0.439 45.312 45.100 -0.378 0.000 0.635 40 G HN 0.781 nan 8.290 nan 0.000 0.520 41 K N -0.360 120.010 120.400 -0.050 0.000 2.424 41 K HA 0.432 4.752 4.320 0.000 0.000 0.200 41 K C 0.697 177.302 176.600 0.008 0.000 1.279 41 K CA 0.979 57.260 56.287 -0.009 0.000 0.918 41 K CB 0.565 33.082 32.500 0.029 0.000 1.287 41 K HN 0.452 nan 8.250 nan 0.000 0.502 42 S N -0.749 114.969 115.700 0.031 0.000 2.526 42 S HA 0.577 5.047 4.470 0.000 0.000 0.293 42 S C 0.310 174.943 174.600 0.055 0.000 1.092 42 S CA -0.252 57.970 58.200 0.036 0.000 0.980 42 S CB 1.847 65.067 63.200 0.034 0.000 1.048 42 S HN 0.298 nan 8.310 nan 0.000 0.483 43 A N 4.430 127.275 122.820 0.041 0.000 1.897 43 A HA 0.174 4.494 4.320 0.000 0.000 0.215 43 A C 0.888 178.500 177.584 0.047 0.000 1.181 43 A CA 0.950 53.020 52.037 0.054 0.000 0.620 43 A CB -0.434 18.586 19.000 0.034 0.000 0.821 43 A HN 0.785 nan 8.150 nan 0.000 0.443 44 K N 0.567 120.979 120.400 0.021 0.000 2.258 44 K HA 0.247 4.567 4.320 0.000 0.000 0.264 44 K C -0.227 176.373 176.600 -0.001 0.000 1.007 44 K CA -0.566 55.720 56.287 -0.001 0.000 0.941 44 K CB 0.442 32.927 32.500 -0.024 0.000 0.966 44 K HN 0.137 nan 8.250 nan 0.000 0.480 45 R N 2.403 122.892 120.500 -0.020 0.000 2.442 45 R HA 0.049 4.389 4.340 0.000 0.000 0.291 45 R C 0.224 176.477 176.300 -0.079 0.000 1.069 45 R CA -0.094 55.991 56.100 -0.025 0.000 1.022 45 R CB 0.449 30.728 30.300 -0.036 0.000 0.976 45 R HN 0.598 nan 8.270 nan 0.000 0.443 46 R N 1.906 122.370 120.500 -0.059 0.000 2.538 46 R HA -0.062 4.278 4.340 0.000 0.000 0.282 46 R C -0.823 175.327 176.300 -0.249 0.000 1.009 46 R CA 0.705 56.721 56.100 -0.139 0.000 1.063 46 R CB 0.269 30.573 30.300 0.008 0.000 0.945 46 R HN 0.602 nan 8.270 nan 0.000 0.414 47 D N 2.938 123.010 120.400 -0.548 0.000 2.787 47 D HA 0.247 4.887 4.640 0.000 0.000 0.215 47 D C -1.968 173.789 176.300 -0.904 0.000 1.246 47 D CA -0.350 53.335 54.000 -0.524 0.000 0.798 47 D CB 0.636 41.250 40.800 -0.309 0.000 1.649 47 D HN 0.412 nan 8.370 nan 0.000 0.507 48 Y N 1.047 121.056 120.300 -0.484 0.000 2.545 48 Y HA 0.329 4.879 4.550 0.000 0.000 0.348 48 Y C 1.159 176.694 175.900 -0.608 0.000 1.002 48 Y CA -0.853 56.832 58.100 -0.691 0.000 1.039 48 Y CB 2.027 39.589 38.460 -1.497 0.000 1.271 48 Y HN 0.245 nan 8.280 nan 0.000 0.467 49 E N 1.598 121.661 120.200 -0.228 0.000 2.274 49 E HA -0.112 4.238 4.350 0.000 0.000 0.194 49 E C 1.413 178.012 176.600 -0.001 0.000 0.996 49 E CA 0.799 57.148 56.400 -0.085 0.000 0.840 49 E CB -0.046 29.666 29.700 0.019 0.000 0.772 49 E HN 0.827 nan 8.360 nan 0.000 0.491 50 W N 0.606 121.969 121.300 0.105 0.000 3.204 50 W HA 0.113 4.773 4.660 0.000 0.000 0.249 50 W C 0.647 177.200 176.519 0.057 0.000 1.322 50 W CA -0.175 57.206 57.345 0.060 0.000 1.593 50 W CB -0.463 29.014 29.460 0.029 0.000 1.122 50 W HN 0.030 nan 8.180 nan 0.000 0.710 51 Q N 1.675 121.472 119.800 -0.006 0.000 2.444 51 Q HA -0.002 4.338 4.340 0.000 0.000 0.206 51 Q C 0.635 176.676 176.000 0.068 0.000 0.948 51 Q CA 0.725 56.541 55.803 0.022 0.000 0.946 51 Q CB 0.264 28.900 28.738 -0.171 0.000 1.027 51 Q HN 0.227 nan 8.270 nan 0.000 0.513 52 S N -1.347 114.399 115.700 0.077 0.000 2.596 52 S HA 0.409 4.879 4.470 0.000 0.000 0.270 52 S C -0.987 173.658 174.600 0.076 0.000 1.155 52 S CA -1.265 56.972 58.200 0.061 0.000 0.827 52 S CB 1.560 64.774 63.200 0.024 0.000 1.130 52 S HN -0.182 nan 8.310 nan 0.000 0.467 53 K N 0.999 121.435 120.400 0.059 0.000 2.485 53 K HA 0.284 4.604 4.320 0.000 0.000 0.277 53 K C 1.649 178.281 176.600 0.052 0.000 0.990 53 K CA 0.522 56.843 56.287 0.056 0.000 0.994 53 K CB 0.353 32.877 32.500 0.040 0.000 0.906 53 K HN 0.844 nan 8.250 nan 0.000 0.488 54 A N 3.186 126.040 122.820 0.057 0.000 1.927 54 A HA -0.160 4.160 4.320 0.000 0.000 0.220 54 A C 1.633 179.239 177.584 0.036 0.000 1.185 54 A CA 2.226 54.294 52.037 0.052 0.000 0.639 54 A CB -0.561 18.470 19.000 0.052 0.000 0.820 54 A HN 0.747 nan 8.150 nan 0.000 0.451 55 G N -1.085 107.733 108.800 0.029 0.000 3.496 55 G HA2 0.435 4.395 3.960 0.000 0.000 0.273 55 G HA3 0.435 4.395 3.960 0.000 0.000 0.273 55 G C 0.045 174.955 174.900 0.017 0.000 1.279 55 G CA 0.526 45.639 45.100 0.021 0.000 1.041 55 G HN 0.621 nan 8.290 nan 0.000 0.539 56 E N 0.000 120.211 120.200 0.019 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.408 56.400 0.013 0.000 0.000 56 E CB 0.000 29.709 29.700 0.016 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000