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 1yjw_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 0.920 109.720 108.800 0.001 0.000 2.483 2 G HA2 0.491 4.451 3.960 0.000 0.000 0.248 2 G HA3 0.491 4.451 3.960 0.000 0.000 0.248 2 G C 1.045 175.945 174.900 0.001 0.000 1.248 2 G CA -0.065 45.035 45.100 0.001 0.000 0.838 2 G HN 0.992 nan 8.290 nan 0.000 0.566 3 A N 1.822 124.643 122.820 0.001 0.000 2.206 3 A HA 0.347 4.667 4.320 0.000 0.000 0.211 3 A C 1.800 179.386 177.584 0.002 0.000 1.158 3 A CA 1.322 53.360 52.037 0.002 0.000 0.761 3 A CB -0.338 18.663 19.000 0.001 0.000 0.801 3 A HN 0.910 nan 8.150 nan 0.000 0.473 4 G N -1.051 107.751 108.800 0.002 0.000 3.022 4 G HA2 0.229 4.189 3.960 0.000 0.000 0.157 4 G HA3 0.229 4.189 3.960 0.000 0.000 0.157 4 G C 1.186 176.087 174.900 0.003 0.000 1.691 4 G CA 0.850 45.952 45.100 0.002 0.000 1.079 4 G HN 0.197 nan 8.290 nan 0.000 0.549 5 T N 2.627 117.183 114.554 0.002 0.000 2.620 5 T HA -0.137 4.213 4.350 0.000 0.000 0.267 5 T C 0.079 174.781 174.700 0.003 0.000 1.044 5 T CA 2.149 64.251 62.100 0.003 0.000 1.161 5 T CB -1.112 67.758 68.868 0.002 0.000 0.862 5 T HN 0.384 nan 8.240 nan 0.000 0.438 6 P HA 0.027 nan 4.420 nan 0.000 0.219 6 P C 1.189 178.491 177.300 0.003 0.000 1.146 6 P CA 1.050 64.151 63.100 0.002 0.000 0.808 6 P CB -0.093 31.608 31.700 0.002 0.000 0.779 7 S N -0.546 115.156 115.700 0.003 0.000 2.593 7 S HA 0.030 4.500 4.470 0.000 0.000 0.217 7 S C 1.719 176.322 174.600 0.004 0.000 0.966 7 S CA 0.257 58.459 58.200 0.003 0.000 0.914 7 S CB -0.325 62.877 63.200 0.003 0.000 0.776 7 S HN 0.146 nan 8.310 nan 0.000 0.523 8 Q N 0.691 120.494 119.800 0.004 0.000 2.331 8 Q HA 0.126 4.466 4.340 0.000 0.000 0.203 8 Q C 2.256 178.259 176.000 0.005 0.000 0.944 8 Q CA 0.827 56.633 55.803 0.005 0.000 0.892 8 Q CB -0.894 27.847 28.738 0.005 0.000 0.983 8 Q HN 0.564 nan 8.270 nan 0.000 0.482 9 G N 1.499 110.301 108.800 0.004 0.000 2.450 9 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 9 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 9 G C 1.340 176.241 174.900 0.003 0.000 1.130 9 G CA 0.583 45.685 45.100 0.003 0.000 0.760 9 G HN 0.326 nan 8.290 nan 0.000 0.557 10 K N 0.353 120.755 120.400 0.003 0.000 2.486 10 K HA 0.076 4.396 4.320 0.000 0.000 0.194 10 K C 0.569 177.170 176.600 0.003 0.000 1.033 10 K CA 0.124 56.412 56.287 0.003 0.000 1.004 10 K CB 0.205 32.706 32.500 0.003 0.000 0.798 10 K HN 0.162 nan 8.250 nan 0.000 0.495 11 K N 2.926 123.328 120.400 0.004 0.000 2.054 11 K HA -0.000 4.320 4.320 0.000 0.000 0.242 11 K C 0.140 176.741 176.600 0.002 0.000 1.157 11 K CA 0.042 56.331 56.287 0.004 0.000 1.079 11 K CB -0.167 32.337 32.500 0.007 0.000 1.331 11 K HN 0.211 nan 8.250 nan 0.000 0.317 12 N N -0.064 118.635 118.700 -0.001 0.000 2.305 12 N HA -0.011 4.729 4.740 0.000 0.000 0.248 12 N C -0.631 174.874 175.510 -0.007 0.000 1.290 12 N CA -0.420 52.629 53.050 -0.002 0.000 0.873 12 N CB 0.609 39.096 38.487 -0.001 0.000 1.261 12 N HN -0.069 nan 8.380 nan 0.000 0.504 13 T N 0.562 115.109 114.554 -0.012 0.000 2.882 13 T HA 0.330 4.680 4.350 0.000 0.000 0.287 13 T C -0.294 174.382 174.700 -0.039 0.000 0.992 13 T CA 0.239 62.325 62.100 -0.022 0.000 1.076 13 T CB 1.409 70.263 68.868 -0.023 0.000 0.961 13 T HN 0.020 nan 8.240 nan 0.000 0.490 14 T N 2.556 117.079 114.554 -0.051 0.000 2.749 14 T HA 0.461 4.811 4.350 0.000 0.000 0.287 14 T C 1.143 175.752 174.700 -0.152 0.000 0.970 14 T CA -0.607 61.450 62.100 -0.071 0.000 0.980 14 T CB 0.992 69.836 68.868 -0.039 0.000 0.924 14 T HN 0.857 nan 8.240 nan 0.000 0.456 15 T N -0.023 114.379 114.554 -0.254 0.000 3.463 15 T HA 0.195 4.545 4.350 0.000 0.000 0.203 15 T C 0.462 174.815 174.700 -0.579 0.000 0.955 15 T CA -0.284 61.449 62.100 -0.612 0.000 1.230 15 T CB -0.251 68.041 68.868 -0.960 0.000 1.392 15 T HN 0.531 nan 8.240 nan 0.000 0.361 16 H N 3.601 122.502 119.070 -0.281 0.000 2.975 16 H HA 0.456 5.012 4.556 0.000 0.000 0.303 16 H C 0.310 175.631 175.328 -0.011 0.000 1.023 16 H CA 0.800 56.784 56.048 -0.106 0.000 1.473 16 H CB 0.207 29.945 29.762 -0.041 0.000 1.498 16 H HN 0.709 nan 8.280 nan 0.000 0.549 17 T N -0.149 114.510 114.554 0.176 0.000 2.906 17 T HA 0.290 4.640 4.350 0.000 0.000 0.295 17 T C -0.034 174.783 174.700 0.194 0.000 1.075 17 T CA -1.392 60.806 62.100 0.164 0.000 1.005 17 T CB 2.306 71.267 68.868 0.155 0.000 1.136 17 T HN 0.298 nan 8.240 nan 0.000 0.498 18 K N 1.016 121.486 120.400 0.116 0.000 2.441 18 K HA 0.052 4.372 4.320 0.000 0.000 0.273 18 K C 0.027 176.664 176.600 0.062 0.000 1.090 18 K CA -0.109 56.221 56.287 0.072 0.000 1.158 18 K CB -0.820 31.699 32.500 0.032 0.000 0.847 18 K HN 0.797 nan 8.250 nan 0.000 0.483 19 C N 6.332 125.662 119.300 0.049 0.000 2.499 19 C HA 0.262 4.722 4.460 0.000 0.000 0.386 19 C C 1.857 176.727 174.990 -0.201 0.000 1.293 19 C CA -0.602 58.390 59.018 -0.043 0.000 1.884 19 C CB -0.055 27.720 27.740 0.059 0.000 2.509 19 C HN 1.115 nan 8.230 nan 0.000 0.566 20 R N 2.989 123.265 120.500 -0.373 0.000 2.127 20 R HA -0.119 4.221 4.340 0.000 0.000 0.238 20 R C 2.362 178.364 176.300 -0.497 0.000 1.134 20 R CA 1.779 57.637 56.100 -0.402 0.000 0.975 20 R CB -0.249 29.789 30.300 -0.436 0.000 0.865 20 R HN 0.871 nan 8.270 nan 0.000 0.447 21 R N -0.098 119.980 120.500 -0.704 0.000 2.075 21 R HA -0.067 4.273 4.340 0.000 0.000 0.220 21 R C 2.285 178.421 176.300 -0.272 0.000 1.118 21 R CA 1.530 57.272 56.100 -0.597 0.000 0.986 21 R CB -0.107 29.695 30.300 -0.830 0.000 0.884 21 R HN 0.467 nan 8.270 nan 0.000 0.439 22 C N -2.279 116.917 119.300 -0.174 0.000 3.019 22 C HA 0.526 4.986 4.460 0.000 0.000 0.295 22 C C 1.503 176.457 174.990 -0.060 0.000 1.256 22 C CA 0.238 59.207 59.018 -0.081 0.000 1.706 22 C CB 0.299 28.027 27.740 -0.021 0.000 2.153 22 C HN 0.664 nan 8.230 nan 0.000 0.618 23 G N 0.683 109.442 108.800 -0.068 0.000 2.176 23 G HA2 -0.155 3.805 3.960 0.000 0.000 0.253 23 G HA3 -0.155 3.805 3.960 0.000 0.000 0.253 23 G C -0.281 174.615 174.900 -0.008 0.000 0.979 23 G CA 0.403 45.478 45.100 -0.043 0.000 0.641 23 G HN 0.618 nan 8.290 nan 0.000 0.530 24 E N 0.255 120.463 120.200 0.014 0.000 2.313 24 E HA 0.288 4.638 4.350 0.000 0.000 0.272 24 E C 0.475 177.115 176.600 0.066 0.000 1.038 24 E CA -0.611 55.810 56.400 0.036 0.000 0.863 24 E CB 1.141 30.868 29.700 0.044 0.000 1.060 24 E HN 0.347 nan 8.360 nan 0.000 0.402 25 K N 1.591 122.029 120.400 0.063 0.000 2.737 25 K HA 0.125 4.445 4.320 0.000 0.000 0.251 25 K C -0.289 176.384 176.600 0.121 0.000 1.280 25 K CA 0.147 56.489 56.287 0.092 0.000 1.219 25 K CB -0.228 32.312 32.500 0.067 0.000 1.587 25 K HN 0.158 nan 8.250 nan 0.000 0.279 26 S N 1.090 116.895 115.700 0.175 0.000 2.780 26 S HA 0.028 4.498 4.470 0.000 0.000 0.248 26 S C -0.773 174.071 174.600 0.408 0.000 1.036 26 S CA -0.486 57.839 58.200 0.209 0.000 1.061 26 S CB -0.007 63.269 63.200 0.126 0.000 1.037 26 S HN 0.492 nan 8.310 nan 0.000 0.584 27 Y N 3.459 123.896 120.300 0.228 0.000 2.486 27 Y HA 0.285 4.835 4.550 0.000 0.000 0.348 27 Y C 0.309 176.322 175.900 0.188 0.000 1.000 27 Y CA -1.080 57.154 58.100 0.223 0.000 1.253 27 Y CB -0.234 38.335 38.460 0.182 0.000 1.140 27 Y HN 0.225 nan 8.280 nan 0.000 0.526 28 H N 4.123 123.037 119.070 -0.260 0.000 3.089 28 H HA 0.065 4.621 4.556 0.000 0.000 0.262 28 H C 1.396 176.431 175.328 -0.488 0.000 1.160 28 H CA 0.491 56.303 56.048 -0.394 0.000 1.482 28 H CB 0.842 30.387 29.762 -0.361 0.000 1.511 28 H HN 0.853 nan 8.280 nan 0.000 0.483 29 T N 3.106 117.517 114.554 -0.239 0.000 3.077 29 T HA -0.083 4.267 4.350 0.000 0.000 0.269 29 T C 1.557 176.234 174.700 -0.038 0.000 1.146 29 T CA 1.346 63.378 62.100 -0.114 0.000 1.091 29 T CB -0.001 68.860 68.868 -0.012 0.000 0.892 29 T HN 0.618 nan 8.240 nan 0.000 0.533 30 K N -0.361 120.097 120.400 0.096 0.000 2.276 30 K HA 0.187 4.508 4.320 0.000 0.000 0.198 30 K C 2.165 178.766 176.600 0.001 0.000 1.052 30 K CA 0.435 56.778 56.287 0.093 0.000 0.984 30 K CB 0.296 32.890 32.500 0.157 0.000 0.836 30 K HN 0.209 nan 8.250 nan 0.000 0.490 31 K N 0.431 120.799 120.400 -0.052 0.000 2.323 31 K HA 0.078 4.398 4.320 0.000 0.000 0.197 31 K C -0.173 176.303 176.600 -0.206 0.000 1.043 31 K CA 0.120 56.271 56.287 -0.227 0.000 0.997 31 K CB 0.511 32.750 32.500 -0.435 0.000 0.807 31 K HN -0.167 nan 8.250 nan 0.000 0.497 32 K N 0.552 120.768 120.400 -0.307 0.000 3.150 32 K HA -0.135 4.185 4.320 0.000 0.000 0.267 32 K C -1.096 175.323 176.600 -0.301 0.000 1.028 32 K CA 0.434 56.492 56.287 -0.381 0.000 0.753 32 K CB -2.226 30.224 32.500 -0.082 0.000 1.288 32 K HN 0.049 nan 8.250 nan 0.000 0.473 33 V N -0.202 119.480 119.914 -0.386 0.000 2.851 33 V HA 0.227 4.347 4.120 0.000 0.000 0.307 33 V C -0.122 176.009 176.094 0.062 0.000 1.129 33 V CA -1.177 61.082 62.300 -0.068 0.000 0.932 33 V CB 2.551 34.342 31.823 -0.052 0.000 1.024 33 V HN 0.446 nan 8.190 nan 0.000 0.426 34 C N 3.623 123.112 119.300 0.315 0.000 2.369 34 C HA 0.451 4.911 4.460 0.000 0.000 0.358 34 C C 1.984 177.126 174.990 0.254 0.000 1.274 34 C CA 0.412 59.659 59.018 0.383 0.000 1.935 34 C CB 0.696 28.718 27.740 0.471 0.000 2.431 34 C HN 1.135 nan 8.230 nan 0.000 0.545 35 S N 3.355 119.201 115.700 0.242 0.000 2.489 35 S HA -0.082 4.388 4.470 0.000 0.000 0.228 35 S C 1.694 176.389 174.600 0.158 0.000 0.995 35 S CA 1.365 59.676 58.200 0.185 0.000 0.934 35 S CB -0.159 63.132 63.200 0.152 0.000 0.771 35 S HN 0.835 nan 8.310 nan 0.000 0.522 36 S N 0.933 116.726 115.700 0.155 0.000 2.324 36 S HA -0.048 4.422 4.470 0.000 0.000 0.210 36 S C 2.182 176.854 174.600 0.121 0.000 1.027 36 S CA 0.929 59.202 58.200 0.122 0.000 0.945 36 S CB -0.768 62.490 63.200 0.096 0.000 0.908 36 S HN 0.886 nan 8.310 nan 0.000 0.496 37 C N 0.339 119.718 119.300 0.132 0.000 2.634 37 C HA 0.644 5.104 4.460 0.000 0.000 0.268 37 C C 1.918 176.993 174.990 0.141 0.000 1.322 37 C CA 0.331 59.415 59.018 0.111 0.000 1.737 37 C CB -0.657 27.140 27.740 0.095 0.000 1.976 37 C HN 0.956 nan 8.230 nan 0.000 0.547 38 G N -0.032 108.882 108.800 0.190 0.000 2.175 38 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 38 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 38 G C -0.124 174.900 174.900 0.207 0.000 0.982 38 G CA 0.145 45.350 45.100 0.175 0.000 0.641 38 G HN 0.792 nan 8.290 nan 0.000 0.527 39 F N 1.713 121.732 119.950 0.116 0.000 2.623 39 F HA 0.382 4.909 4.527 0.000 0.000 0.383 39 F C 1.553 177.467 175.800 0.191 0.000 1.077 39 F CA 1.747 59.818 58.000 0.119 0.000 1.268 39 F CB 0.536 39.589 39.000 0.089 0.000 1.053 39 F HN 1.198 nan 8.300 nan 0.000 0.571 40 G N 4.497 112.986 108.800 -0.520 0.000 2.254 40 G HA2 -0.322 3.638 3.960 0.000 0.000 0.225 40 G HA3 -0.322 3.638 3.960 0.000 0.000 0.225 40 G C 1.049 175.857 174.900 -0.153 0.000 1.003 40 G CA 0.421 45.290 45.100 -0.386 0.000 0.622 40 G HN 0.796 nan 8.290 nan 0.000 0.507 41 K N -0.016 120.346 120.400 -0.063 0.000 2.362 41 K HA 0.428 4.748 4.320 0.000 0.000 0.203 41 K C 0.781 177.378 176.600 -0.004 0.000 1.198 41 K CA 1.014 57.289 56.287 -0.019 0.000 0.908 41 K CB 0.489 33.002 32.500 0.022 0.000 1.236 41 K HN 0.440 nan 8.250 nan 0.000 0.487 42 S N -0.451 115.262 115.700 0.021 0.000 2.502 42 S HA 0.545 5.015 4.470 0.000 0.000 0.304 42 S C 0.441 175.068 174.600 0.045 0.000 1.097 42 S CA -0.273 57.944 58.200 0.028 0.000 1.045 42 S CB 1.777 64.996 63.200 0.032 0.000 1.019 42 S HN 0.338 nan 8.310 nan 0.000 0.481 43 A N 5.162 128.001 122.820 0.033 0.000 1.902 43 A HA 0.100 4.420 4.320 0.000 0.000 0.217 43 A C 1.022 178.634 177.584 0.047 0.000 1.181 43 A CA 1.068 53.134 52.037 0.048 0.000 0.623 43 A CB -0.432 18.586 19.000 0.030 0.000 0.818 43 A HN 0.799 nan 8.150 nan 0.000 0.443 44 K N 0.057 120.470 120.400 0.021 0.000 2.180 44 K HA 0.279 4.599 4.320 0.000 0.000 0.251 44 K C -0.173 176.429 176.600 0.004 0.000 1.014 44 K CA -0.582 55.706 56.287 0.001 0.000 0.913 44 K CB 0.381 32.866 32.500 -0.025 0.000 1.008 44 K HN 0.162 nan 8.250 nan 0.000 0.490 45 R N 2.055 122.544 120.500 -0.018 0.000 2.340 45 R HA 0.078 4.418 4.340 0.000 0.000 0.300 45 R C 0.151 176.409 176.300 -0.071 0.000 1.069 45 R CA -0.308 55.781 56.100 -0.020 0.000 0.984 45 R CB 0.751 31.033 30.300 -0.030 0.000 1.003 45 R HN 0.579 nan 8.270 nan 0.000 0.459 46 R N 2.216 122.692 120.500 -0.040 0.000 2.458 46 R HA -0.062 4.278 4.340 0.000 0.000 0.303 46 R C -0.947 175.233 176.300 -0.200 0.000 1.013 46 R CA 0.626 56.669 56.100 -0.095 0.000 1.026 46 R CB 0.177 30.518 30.300 0.069 0.000 0.948 46 R HN 0.543 nan 8.270 nan 0.000 0.417 47 D N 3.489 123.589 120.400 -0.500 0.000 2.886 47 D HA 0.260 4.900 4.640 0.000 0.000 0.216 47 D C -1.917 173.838 176.300 -0.908 0.000 1.256 47 D CA -0.347 53.358 54.000 -0.491 0.000 0.844 47 D CB 0.737 41.360 40.800 -0.295 0.000 1.669 47 D HN 0.392 nan 8.370 nan 0.000 0.513 48 Y N 1.151 121.154 120.300 -0.495 0.000 2.512 48 Y HA 0.317 4.867 4.550 0.000 0.000 0.348 48 Y C 1.264 176.805 175.900 -0.598 0.000 0.990 48 Y CA -0.851 56.829 58.100 -0.699 0.000 1.033 48 Y CB 1.977 39.512 38.460 -1.541 0.000 1.259 48 Y HN 0.253 nan 8.280 nan 0.000 0.461 49 E N 1.787 121.855 120.200 -0.219 0.000 2.268 49 E HA -0.134 4.216 4.350 0.000 0.000 0.195 49 E C 1.458 178.063 176.600 0.008 0.000 0.995 49 E CA 0.913 57.267 56.400 -0.076 0.000 0.836 49 E CB -0.061 29.652 29.700 0.023 0.000 0.763 49 E HN 0.847 nan 8.360 nan 0.000 0.491 50 W N 0.574 121.941 121.300 0.112 0.000 3.077 50 W HA 0.092 4.752 4.660 0.000 0.000 0.245 50 W C 0.610 177.164 176.519 0.059 0.000 1.316 50 W CA -0.153 57.232 57.345 0.067 0.000 1.537 50 W CB -0.457 29.027 29.460 0.040 0.000 1.131 50 W HN 0.023 nan 8.180 nan 0.000 0.695 51 Q N 1.744 121.547 119.800 0.004 0.000 2.444 51 Q HA 0.000 4.340 4.340 0.000 0.000 0.206 51 Q C 0.721 176.766 176.000 0.074 0.000 0.948 51 Q CA 0.717 56.540 55.803 0.033 0.000 0.946 51 Q CB 0.208 28.855 28.738 -0.153 0.000 1.027 51 Q HN 0.241 nan 8.270 nan 0.000 0.513 52 S N -1.337 114.415 115.700 0.086 0.000 2.625 52 S HA 0.409 4.879 4.470 0.000 0.000 0.271 52 S C -0.982 173.667 174.600 0.081 0.000 1.161 52 S CA -1.228 57.012 58.200 0.066 0.000 0.820 52 S CB 1.613 64.831 63.200 0.029 0.000 1.137 52 S HN -0.181 nan 8.310 nan 0.000 0.470 53 K N 1.020 121.457 120.400 0.062 0.000 2.436 53 K HA 0.340 4.660 4.320 0.000 0.000 0.275 53 K C 1.700 178.332 176.600 0.054 0.000 0.999 53 K CA 0.517 56.839 56.287 0.058 0.000 0.980 53 K CB 0.460 32.985 32.500 0.041 0.000 0.919 53 K HN 0.832 nan 8.250 nan 0.000 0.484 54 A N 3.280 126.135 122.820 0.058 0.000 1.896 54 A HA -0.181 4.139 4.320 0.000 0.000 0.220 54 A C 1.523 179.129 177.584 0.036 0.000 1.206 54 A CA 2.272 54.340 52.037 0.052 0.000 0.647 54 A CB -0.827 18.202 19.000 0.049 0.000 0.828 54 A HN 0.744 nan 8.150 nan 0.000 0.455 55 G N -0.621 108.197 108.800 0.029 0.000 3.581 55 G HA2 0.452 4.412 3.960 0.000 0.000 0.255 55 G HA3 0.452 4.412 3.960 0.000 0.000 0.255 55 G C -0.054 174.857 174.900 0.018 0.000 1.121 55 G CA 0.551 45.664 45.100 0.021 0.000 1.739 55 G HN 0.659 nan 8.290 nan 0.000 0.646 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 0.014 0.000 0.000 56 E CB 0.000 29.710 29.700 0.017 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000