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 1yij_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 0.777 109.578 108.800 0.001 0.000 2.441 2 G HA2 0.470 4.430 3.960 0.000 0.000 0.243 2 G HA3 0.470 4.430 3.960 0.000 0.000 0.243 2 G C 1.032 175.933 174.900 0.002 0.000 1.281 2 G CA -0.019 45.082 45.100 0.001 0.000 0.854 2 G HN 1.025 nan 8.290 nan 0.000 0.560 3 A N 2.042 124.863 122.820 0.002 0.000 2.206 3 A HA 0.358 4.678 4.320 0.000 0.000 0.211 3 A C 1.812 179.398 177.584 0.003 0.000 1.158 3 A CA 1.320 53.358 52.037 0.002 0.000 0.761 3 A CB -0.256 18.745 19.000 0.002 0.000 0.801 3 A HN 0.890 nan 8.150 nan 0.000 0.473 4 G N -0.975 107.826 108.800 0.003 0.000 3.229 4 G HA2 0.222 4.182 3.960 0.000 0.000 0.165 4 G HA3 0.222 4.182 3.960 0.000 0.000 0.165 4 G C 1.210 176.112 174.900 0.003 0.000 1.753 4 G CA 0.888 45.989 45.100 0.003 0.000 1.054 4 G HN 0.206 nan 8.290 nan 0.000 0.544 5 T N 2.676 117.232 114.554 0.003 0.000 2.624 5 T HA -0.128 4.222 4.350 0.000 0.000 0.268 5 T C 0.044 174.746 174.700 0.003 0.000 1.041 5 T CA 2.097 64.199 62.100 0.003 0.000 1.159 5 T CB -1.133 67.737 68.868 0.003 0.000 0.863 5 T HN 0.352 nan 8.240 nan 0.000 0.434 6 P HA 0.032 nan 4.420 nan 0.000 0.219 6 P C 1.181 178.482 177.300 0.003 0.000 1.146 6 P CA 1.039 64.141 63.100 0.003 0.000 0.808 6 P CB -0.110 31.591 31.700 0.002 0.000 0.779 7 S N -0.494 115.208 115.700 0.004 0.000 2.593 7 S HA 0.026 4.496 4.470 0.000 0.000 0.217 7 S C 1.666 176.270 174.600 0.005 0.000 0.966 7 S CA 0.297 58.499 58.200 0.004 0.000 0.914 7 S CB -0.310 62.892 63.200 0.004 0.000 0.776 7 S HN 0.132 nan 8.310 nan 0.000 0.523 8 Q N 0.777 120.581 119.800 0.005 0.000 2.389 8 Q HA 0.162 4.502 4.340 0.000 0.000 0.204 8 Q C 2.126 178.130 176.000 0.006 0.000 0.944 8 Q CA 0.679 56.486 55.803 0.006 0.000 0.908 8 Q CB -0.877 27.864 28.738 0.006 0.000 1.002 8 Q HN 0.564 nan 8.270 nan 0.000 0.493 9 G N 0.995 109.798 108.800 0.005 0.000 2.509 9 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 9 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 9 G C 1.244 176.146 174.900 0.004 0.000 1.124 9 G CA 0.269 45.372 45.100 0.004 0.000 0.776 9 G HN 0.298 nan 8.290 nan 0.000 0.547 10 K N 0.179 120.581 120.400 0.004 0.000 2.404 10 K HA 0.106 4.426 4.320 0.000 0.000 0.194 10 K C 0.420 177.023 176.600 0.004 0.000 1.023 10 K CA -0.000 56.289 56.287 0.004 0.000 1.094 10 K CB 0.369 32.871 32.500 0.004 0.000 0.841 10 K HN 0.129 nan 8.250 nan 0.000 0.523 11 K N 3.035 123.438 120.400 0.005 0.000 2.121 11 K HA 0.022 4.342 4.320 0.000 0.000 0.235 11 K C 0.111 176.714 176.600 0.004 0.000 1.200 11 K CA -0.033 56.258 56.287 0.006 0.000 1.115 11 K CB -0.157 32.348 32.500 0.010 0.000 1.474 11 K HN 0.184 nan 8.250 nan 0.000 0.295 12 N N 0.059 118.759 118.700 0.001 0.000 2.377 12 N HA 0.002 4.742 4.740 0.000 0.000 0.259 12 N C -0.788 174.718 175.510 -0.006 0.000 1.332 12 N CA -0.449 52.600 53.050 -0.001 0.000 0.877 12 N CB 0.661 39.148 38.487 -0.000 0.000 1.299 12 N HN -0.070 nan 8.380 nan 0.000 0.501 13 T N 0.310 114.857 114.554 -0.010 0.000 2.867 13 T HA 0.378 4.728 4.350 0.000 0.000 0.282 13 T C -0.281 174.396 174.700 -0.038 0.000 1.000 13 T CA 0.018 62.105 62.100 -0.022 0.000 1.042 13 T CB 1.625 70.480 68.868 -0.021 0.000 0.973 13 T HN 0.015 nan 8.240 nan 0.000 0.465 14 T N 2.590 117.112 114.554 -0.053 0.000 2.767 14 T HA 0.481 4.831 4.350 0.000 0.000 0.284 14 T C 1.136 175.737 174.700 -0.165 0.000 0.973 14 T CA -0.564 61.490 62.100 -0.076 0.000 0.996 14 T CB 1.028 69.867 68.868 -0.048 0.000 0.927 14 T HN 0.868 nan 8.240 nan 0.000 0.456 15 T N -0.259 114.141 114.554 -0.256 0.000 3.463 15 T HA 0.188 4.538 4.350 0.000 0.000 0.203 15 T C 0.408 174.751 174.700 -0.595 0.000 0.955 15 T CA -0.327 61.394 62.100 -0.631 0.000 1.230 15 T CB -0.224 68.123 68.868 -0.868 0.000 1.392 15 T HN 0.536 nan 8.240 nan 0.000 0.361 16 H N 3.611 122.516 119.070 -0.274 0.000 2.975 16 H HA 0.449 5.005 4.556 0.000 0.000 0.303 16 H C 0.372 175.691 175.328 -0.014 0.000 1.023 16 H CA 0.807 56.795 56.048 -0.099 0.000 1.473 16 H CB 0.249 30.001 29.762 -0.017 0.000 1.498 16 H HN 0.721 nan 8.280 nan 0.000 0.549 17 T N -0.098 114.553 114.554 0.162 0.000 2.907 17 T HA 0.320 4.670 4.350 0.000 0.000 0.290 17 T C 0.057 174.877 174.700 0.200 0.000 1.066 17 T CA -1.381 60.815 62.100 0.160 0.000 1.012 17 T CB 2.237 71.198 68.868 0.155 0.000 1.184 17 T HN 0.286 nan 8.240 nan 0.000 0.522 18 K N 0.544 121.021 120.400 0.129 0.000 2.491 18 K HA 0.152 4.472 4.320 0.000 0.000 0.279 18 K C -0.195 176.458 176.600 0.087 0.000 1.026 18 K CA -0.239 56.101 56.287 0.089 0.000 1.070 18 K CB -0.495 32.032 32.500 0.044 0.000 0.887 18 K HN 0.785 nan 8.250 nan 0.000 0.481 19 C N 6.553 125.894 119.300 0.068 0.000 2.415 19 C HA 0.296 4.756 4.460 0.000 0.000 0.369 19 C C 1.787 176.681 174.990 -0.161 0.000 1.279 19 C CA -0.637 58.373 59.018 -0.012 0.000 1.886 19 C CB -0.164 27.626 27.740 0.084 0.000 2.468 19 C HN 1.111 nan 8.230 nan 0.000 0.553 20 R N 2.872 123.198 120.500 -0.290 0.000 2.170 20 R HA -0.126 4.214 4.340 0.000 0.000 0.242 20 R C 2.300 178.333 176.300 -0.446 0.000 1.145 20 R CA 1.678 57.586 56.100 -0.320 0.000 0.984 20 R CB -0.201 29.915 30.300 -0.307 0.000 0.869 20 R HN 0.840 nan 8.270 nan 0.000 0.455 21 R N -0.295 119.820 120.500 -0.642 0.000 2.105 21 R HA -0.049 4.291 4.340 0.000 0.000 0.214 21 R C 2.123 178.252 176.300 -0.285 0.000 1.091 21 R CA 1.408 57.140 56.100 -0.613 0.000 1.007 21 R CB 0.023 29.733 30.300 -0.982 0.000 0.912 21 R HN 0.448 nan 8.270 nan 0.000 0.450 22 C N -2.160 117.035 119.300 -0.176 0.000 3.230 22 C HA 0.525 4.985 4.460 0.000 0.000 0.300 22 C C 1.435 176.391 174.990 -0.056 0.000 1.292 22 C CA 0.178 59.146 59.018 -0.084 0.000 1.707 22 C CB 0.259 27.983 27.740 -0.027 0.000 2.181 22 C HN 0.647 nan 8.230 nan 0.000 0.655 23 G N 0.900 109.664 108.800 -0.060 0.000 2.179 23 G HA2 -0.176 3.784 3.960 0.000 0.000 0.260 23 G HA3 -0.176 3.784 3.960 0.000 0.000 0.260 23 G C -0.232 174.668 174.900 -0.000 0.000 0.977 23 G CA 0.597 45.676 45.100 -0.034 0.000 0.641 23 G HN 0.648 nan 8.290 nan 0.000 0.533 24 E N 0.131 120.343 120.200 0.020 0.000 2.319 24 E HA 0.288 4.639 4.350 0.000 0.000 0.268 24 E C 0.513 177.157 176.600 0.073 0.000 1.050 24 E CA -0.658 55.767 56.400 0.041 0.000 0.878 24 E CB 1.070 30.797 29.700 0.045 0.000 1.066 24 E HN 0.331 nan 8.360 nan 0.000 0.406 25 K N 1.413 121.854 120.400 0.068 0.000 2.737 25 K HA 0.106 4.426 4.320 0.000 0.000 0.251 25 K C -0.277 176.400 176.600 0.129 0.000 1.280 25 K CA 0.151 56.496 56.287 0.097 0.000 1.219 25 K CB -0.262 32.279 32.500 0.068 0.000 1.587 25 K HN 0.165 nan 8.250 nan 0.000 0.279 26 S N 0.794 116.604 115.700 0.184 0.000 2.780 26 S HA 0.021 4.491 4.470 0.000 0.000 0.248 26 S C -0.762 174.094 174.600 0.427 0.000 1.036 26 S CA -0.502 57.837 58.200 0.232 0.000 1.061 26 S CB -0.009 63.272 63.200 0.136 0.000 1.037 26 S HN 0.475 nan 8.310 nan 0.000 0.584 27 Y N 3.606 124.045 120.300 0.233 0.000 2.584 27 Y HA 0.284 4.834 4.550 0.000 0.000 0.351 27 Y C 0.331 176.329 175.900 0.164 0.000 1.030 27 Y CA -1.173 57.056 58.100 0.215 0.000 1.332 27 Y CB -0.377 38.191 38.460 0.179 0.000 1.148 27 Y HN 0.228 nan 8.280 nan 0.000 0.528 28 H N 4.163 123.062 119.070 -0.285 0.000 3.160 28 H HA 0.046 4.602 4.556 0.000 0.000 0.257 28 H C 1.446 176.455 175.328 -0.530 0.000 1.140 28 H CA 0.708 56.492 56.048 -0.439 0.000 1.492 28 H CB 0.777 30.297 29.762 -0.404 0.000 1.529 28 H HN 0.845 nan 8.280 nan 0.000 0.490 29 T N 3.121 117.457 114.554 -0.364 0.000 3.025 29 T HA -0.092 4.258 4.350 0.000 0.000 0.270 29 T C 1.574 176.210 174.700 -0.106 0.000 1.126 29 T CA 1.413 63.389 62.100 -0.205 0.000 1.105 29 T CB 0.003 68.827 68.868 -0.072 0.000 0.884 29 T HN 0.619 nan 8.240 nan 0.000 0.522 30 K N -0.300 120.107 120.400 0.012 0.000 2.244 30 K HA 0.169 4.489 4.320 0.000 0.000 0.200 30 K C 2.191 178.811 176.600 0.034 0.000 1.052 30 K CA 0.524 56.857 56.287 0.076 0.000 0.980 30 K CB 0.262 32.847 32.500 0.143 0.000 0.838 30 K HN 0.214 nan 8.250 nan 0.000 0.481 31 K N 0.451 120.871 120.400 0.034 0.000 2.323 31 K HA 0.082 4.402 4.320 0.000 0.000 0.197 31 K C -0.162 176.334 176.600 -0.174 0.000 1.043 31 K CA 0.142 56.336 56.287 -0.156 0.000 0.997 31 K CB 0.467 32.768 32.500 -0.332 0.000 0.807 31 K HN -0.171 nan 8.250 nan 0.000 0.497 32 K N 0.478 120.703 120.400 -0.292 0.000 3.162 32 K HA -0.126 4.194 4.320 0.000 0.000 0.268 32 K C -1.160 175.258 176.600 -0.303 0.000 1.062 32 K CA 0.397 56.442 56.287 -0.404 0.000 0.769 32 K CB -2.272 30.175 32.500 -0.089 0.000 1.274 32 K HN 0.057 nan 8.250 nan 0.000 0.478 33 V N -0.069 119.625 119.914 -0.365 0.000 2.851 33 V HA 0.233 4.353 4.120 0.000 0.000 0.307 33 V C -0.065 176.081 176.094 0.086 0.000 1.129 33 V CA -1.184 61.086 62.300 -0.051 0.000 0.932 33 V CB 2.517 34.316 31.823 -0.039 0.000 1.024 33 V HN 0.452 nan 8.190 nan 0.000 0.426 34 C N 3.943 123.440 119.300 0.328 0.000 2.394 34 C HA 0.391 4.851 4.460 0.000 0.000 0.362 34 C C 2.001 177.148 174.990 0.262 0.000 1.268 34 C CA 0.345 59.597 59.018 0.390 0.000 1.828 34 C CB 0.343 28.362 27.740 0.465 0.000 2.442 34 C HN 1.129 nan 8.230 nan 0.000 0.549 35 S N 3.389 119.244 115.700 0.257 0.000 2.481 35 S HA -0.100 4.370 4.470 0.000 0.000 0.231 35 S C 1.677 176.378 174.600 0.168 0.000 0.996 35 S CA 1.472 59.792 58.200 0.201 0.000 0.942 35 S CB -0.127 63.184 63.200 0.184 0.000 0.768 35 S HN 0.843 nan 8.310 nan 0.000 0.520 36 S N 0.524 116.320 115.700 0.161 0.000 2.398 36 S HA 0.008 4.478 4.470 0.000 0.000 0.220 36 S C 1.931 176.598 174.600 0.111 0.000 1.046 36 S CA 0.700 58.973 58.200 0.123 0.000 0.953 36 S CB -0.466 62.791 63.200 0.095 0.000 0.856 36 S HN 0.886 nan 8.310 nan 0.000 0.506 37 C N 0.198 119.576 119.300 0.129 0.000 3.038 37 C HA 0.699 5.159 4.460 0.000 0.000 0.279 37 C C 1.808 176.879 174.990 0.134 0.000 1.276 37 C CA 0.248 59.327 59.018 0.102 0.000 1.697 37 C CB -0.516 27.274 27.740 0.083 0.000 2.032 37 C HN 0.820 nan 8.230 nan 0.000 0.636 38 G N 0.502 109.409 108.800 0.178 0.000 2.179 38 G HA2 -0.284 3.676 3.960 0.000 0.000 0.260 38 G HA3 -0.284 3.676 3.960 0.000 0.000 0.260 38 G C -0.133 174.894 174.900 0.210 0.000 0.977 38 G CA 0.257 45.457 45.100 0.167 0.000 0.641 38 G HN 0.799 nan 8.290 nan 0.000 0.533 39 F N 1.678 121.694 119.950 0.110 0.000 2.623 39 F HA 0.383 4.910 4.527 0.000 0.000 0.383 39 F C 1.566 177.476 175.800 0.183 0.000 1.077 39 F CA 1.403 59.471 58.000 0.113 0.000 1.268 39 F CB 0.469 39.518 39.000 0.082 0.000 1.053 39 F HN 1.203 nan 8.300 nan 0.000 0.571 40 G N 4.444 112.944 108.800 -0.500 0.000 2.217 40 G HA2 -0.335 3.625 3.960 0.000 0.000 0.246 40 G HA3 -0.335 3.625 3.960 0.000 0.000 0.246 40 G C 1.065 175.887 174.900 -0.130 0.000 0.990 40 G CA 0.493 45.367 45.100 -0.376 0.000 0.627 40 G HN 0.781 nan 8.290 nan 0.000 0.522 41 K N -0.369 120.005 120.400 -0.044 0.000 2.412 41 K HA 0.425 4.745 4.320 0.000 0.000 0.201 41 K C 0.687 177.295 176.600 0.014 0.000 1.275 41 K CA 0.964 57.249 56.287 -0.003 0.000 0.910 41 K CB 0.546 33.067 32.500 0.034 0.000 1.346 41 K HN 0.410 nan 8.250 nan 0.000 0.490 42 S N -0.687 115.036 115.700 0.038 0.000 2.526 42 S HA 0.576 5.046 4.470 0.000 0.000 0.293 42 S C 0.276 174.913 174.600 0.062 0.000 1.092 42 S CA -0.265 57.960 58.200 0.042 0.000 0.980 42 S CB 1.842 65.066 63.200 0.040 0.000 1.048 42 S HN 0.307 nan 8.310 nan 0.000 0.483 43 A N 4.472 127.320 122.820 0.047 0.000 1.929 43 A HA 0.189 4.509 4.320 0.000 0.000 0.216 43 A C 0.870 178.484 177.584 0.050 0.000 1.176 43 A CA 0.920 52.993 52.037 0.060 0.000 0.628 43 A CB -0.352 18.671 19.000 0.039 0.000 0.816 43 A HN 0.771 nan 8.150 nan 0.000 0.444 44 K N 0.623 121.037 120.400 0.024 0.000 2.202 44 K HA 0.259 4.579 4.320 0.000 0.000 0.264 44 K C -0.182 176.418 176.600 -0.001 0.000 1.010 44 K CA -0.605 55.682 56.287 -0.000 0.000 0.940 44 K CB 0.484 32.970 32.500 -0.023 0.000 0.983 44 K HN 0.145 nan 8.250 nan 0.000 0.475 45 R N 2.304 122.791 120.500 -0.021 0.000 2.491 45 R HA 0.037 4.377 4.340 0.000 0.000 0.283 45 R C 0.241 176.492 176.300 -0.083 0.000 1.072 45 R CA -0.034 56.049 56.100 -0.029 0.000 1.048 45 R CB 0.420 30.695 30.300 -0.042 0.000 0.983 45 R HN 0.591 nan 8.270 nan 0.000 0.450 46 R N 1.913 122.374 120.500 -0.066 0.000 2.484 46 R HA -0.042 4.298 4.340 0.000 0.000 0.293 46 R C -0.877 175.262 176.300 -0.269 0.000 1.023 46 R CA 0.596 56.607 56.100 -0.148 0.000 1.037 46 R CB 0.274 30.573 30.300 -0.002 0.000 0.951 46 R HN 0.566 nan 8.270 nan 0.000 0.418 47 D N 3.029 123.085 120.400 -0.575 0.000 2.836 47 D HA 0.253 4.893 4.640 0.000 0.000 0.215 47 D C -1.950 173.781 176.300 -0.948 0.000 1.255 47 D CA -0.333 53.331 54.000 -0.560 0.000 0.822 47 D CB 0.700 41.304 40.800 -0.327 0.000 1.656 47 D HN 0.407 nan 8.370 nan 0.000 0.511 48 Y N 1.192 121.198 120.300 -0.490 0.000 2.512 48 Y HA 0.307 4.857 4.550 0.000 0.000 0.348 48 Y C 1.176 176.712 175.900 -0.607 0.000 0.990 48 Y CA -0.857 56.821 58.100 -0.702 0.000 1.033 48 Y CB 2.062 39.593 38.460 -1.548 0.000 1.259 48 Y HN 0.249 nan 8.280 nan 0.000 0.461 49 E N 1.864 121.936 120.200 -0.213 0.000 2.268 49 E HA -0.135 4.215 4.350 0.000 0.000 0.195 49 E C 1.474 178.080 176.600 0.009 0.000 0.995 49 E CA 0.932 57.288 56.400 -0.073 0.000 0.836 49 E CB -0.060 29.657 29.700 0.028 0.000 0.763 49 E HN 0.832 nan 8.360 nan 0.000 0.491 50 W N 0.482 121.847 121.300 0.108 0.000 3.077 50 W HA 0.092 4.752 4.660 0.000 0.000 0.245 50 W C 0.694 177.249 176.519 0.061 0.000 1.316 50 W CA -0.138 57.245 57.345 0.063 0.000 1.537 50 W CB -0.503 28.977 29.460 0.033 0.000 1.131 50 W HN 0.041 nan 8.180 nan 0.000 0.695 51 Q N 1.689 121.477 119.800 -0.019 0.000 2.482 51 Q HA -0.016 4.324 4.340 0.000 0.000 0.209 51 Q C 0.737 176.776 176.000 0.065 0.000 0.961 51 Q CA 0.813 56.624 55.803 0.014 0.000 0.945 51 Q CB 0.203 28.839 28.738 -0.170 0.000 1.012 51 Q HN 0.239 nan 8.270 nan 0.000 0.515 52 S N -1.515 114.230 115.700 0.076 0.000 2.625 52 S HA 0.424 4.894 4.470 0.000 0.000 0.271 52 S C -0.965 173.681 174.600 0.077 0.000 1.161 52 S CA -1.255 56.982 58.200 0.061 0.000 0.820 52 S CB 1.574 64.788 63.200 0.023 0.000 1.137 52 S HN -0.193 nan 8.310 nan 0.000 0.470 53 K N 0.866 121.301 120.400 0.059 0.000 2.436 53 K HA 0.332 4.652 4.320 0.000 0.000 0.275 53 K C 1.650 178.281 176.600 0.052 0.000 0.999 53 K CA 0.493 56.814 56.287 0.056 0.000 0.980 53 K CB 0.427 32.951 32.500 0.040 0.000 0.919 53 K HN 0.829 nan 8.250 nan 0.000 0.484 54 A N 2.964 125.818 122.820 0.056 0.000 1.927 54 A HA -0.154 4.166 4.320 0.000 0.000 0.220 54 A C 1.586 179.192 177.584 0.036 0.000 1.185 54 A CA 2.220 54.288 52.037 0.052 0.000 0.639 54 A CB -0.618 18.412 19.000 0.050 0.000 0.820 54 A HN 0.737 nan 8.150 nan 0.000 0.451 55 G N -0.931 107.886 108.800 0.029 0.000 3.562 55 G HA2 0.445 4.405 3.960 0.000 0.000 0.279 55 G HA3 0.445 4.405 3.960 0.000 0.000 0.279 55 G C 0.000 174.911 174.900 0.017 0.000 1.314 55 G CA 0.512 45.625 45.100 0.021 0.000 1.189 55 G HN 0.623 nan 8.290 nan 0.000 0.562 56 E N 0.000 120.211 120.200 0.018 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 0.015 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000