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 1q81_1_2 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 0.000 0.000 1.109 1 T CA 0.000 62.100 62.100 0.000 0.000 1.349 1 T CB 0.000 68.868 68.868 0.000 0.000 0.612 2 G N 0.633 109.433 108.800 0.000 0.000 2.441 2 G HA2 0.468 4.428 3.960 0.000 0.000 0.243 2 G HA3 0.468 4.428 3.960 0.000 0.000 0.243 2 G C 1.041 175.941 174.900 0.001 0.000 1.281 2 G CA 0.003 45.104 45.100 0.000 0.000 0.854 2 G HN 1.017 nan 8.290 nan 0.000 0.560 3 A N 2.188 125.008 122.820 0.000 0.000 2.123 3 A HA 0.329 4.649 4.320 0.000 0.000 0.214 3 A C 1.956 179.541 177.584 0.001 0.000 1.152 3 A CA 1.420 53.457 52.037 0.001 0.000 0.728 3 A CB -0.374 18.626 19.000 0.000 0.000 0.814 3 A HN 0.906 nan 8.150 nan 0.000 0.464 4 G N -0.797 108.004 108.800 0.001 0.000 2.913 4 G HA2 0.153 4.113 3.960 0.000 0.000 0.145 4 G HA3 0.153 4.113 3.960 0.000 0.000 0.145 4 G C 1.240 176.141 174.900 0.001 0.000 1.801 4 G CA 0.997 46.097 45.100 0.001 0.000 1.033 4 G HN 0.218 nan 8.290 nan 0.000 0.495 5 T N 2.604 117.159 114.554 0.001 0.000 2.653 5 T HA -0.116 4.234 4.350 0.000 0.000 0.268 5 T C 0.195 174.896 174.700 0.002 0.000 1.035 5 T CA 2.077 64.177 62.100 0.001 0.000 1.154 5 T CB -0.997 67.872 68.868 0.001 0.000 0.862 5 T HN 0.396 nan 8.240 nan 0.000 0.441 6 P HA 0.064 nan 4.420 nan 0.000 0.220 6 P C 1.237 178.538 177.300 0.002 0.000 1.148 6 P CA 0.983 64.084 63.100 0.001 0.000 0.803 6 P CB -0.034 31.666 31.700 0.001 0.000 0.782 7 S N -0.393 115.308 115.700 0.002 0.000 2.562 7 S HA 0.020 4.490 4.470 0.000 0.000 0.221 7 S C 1.774 176.376 174.600 0.003 0.000 0.975 7 S CA 0.374 58.575 58.200 0.002 0.000 0.918 7 S CB -0.336 62.866 63.200 0.003 0.000 0.772 7 S HN 0.163 nan 8.310 nan 0.000 0.531 8 Q N 0.624 120.426 119.800 0.003 0.000 2.331 8 Q HA 0.133 4.473 4.340 0.000 0.000 0.203 8 Q C 2.205 178.207 176.000 0.003 0.000 0.944 8 Q CA 0.721 56.526 55.803 0.003 0.000 0.892 8 Q CB -0.722 28.018 28.738 0.003 0.000 0.983 8 Q HN 0.572 nan 8.270 nan 0.000 0.482 9 G N 1.428 110.229 108.800 0.003 0.000 2.422 9 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 9 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 9 G C 1.255 176.156 174.900 0.003 0.000 1.146 9 G CA 0.305 45.406 45.100 0.003 0.000 0.769 9 G HN 0.299 nan 8.290 nan 0.000 0.547 10 K N 0.523 120.925 120.400 0.003 0.000 2.551 10 K HA 0.068 4.388 4.320 0.000 0.000 0.192 10 K C 0.282 176.884 176.600 0.003 0.000 1.027 10 K CA 0.198 56.486 56.287 0.003 0.000 1.059 10 K CB 0.176 32.678 32.500 0.003 0.000 0.831 10 K HN 0.196 nan 8.250 nan 0.000 0.508 11 K N 2.633 123.035 120.400 0.003 0.000 2.142 11 K HA 0.045 4.365 4.320 0.000 0.000 0.250 11 K C 0.128 176.729 176.600 0.002 0.000 1.148 11 K CA -0.146 56.143 56.287 0.003 0.000 1.040 11 K CB 0.028 32.531 32.500 0.005 0.000 1.569 11 K HN 0.154 nan 8.250 nan 0.000 0.361 12 N N 0.132 118.833 118.700 0.000 0.000 2.299 12 N HA 0.004 4.744 4.740 0.000 0.000 0.246 12 N C -0.612 174.896 175.510 -0.003 0.000 1.254 12 N CA -0.396 52.654 53.050 -0.000 0.000 0.879 12 N CB 0.655 39.143 38.487 0.001 0.000 1.214 12 N HN -0.053 nan 8.380 nan 0.000 0.510 13 T N 0.238 114.788 114.554 -0.007 0.000 2.922 13 T HA 0.402 4.752 4.350 0.000 0.000 0.285 13 T C -0.308 174.377 174.700 -0.025 0.000 1.005 13 T CA 0.125 62.217 62.100 -0.013 0.000 1.061 13 T CB 1.549 70.409 68.868 -0.013 0.000 1.007 13 T HN 0.023 nan 8.240 nan 0.000 0.502 14 T N 1.878 116.410 114.554 -0.036 0.000 2.797 14 T HA 0.529 4.879 4.350 0.000 0.000 0.279 14 T C 1.013 175.641 174.700 -0.120 0.000 0.991 14 T CA -0.640 61.427 62.100 -0.055 0.000 0.979 14 T CB 1.323 70.174 68.868 -0.029 0.000 0.943 14 T HN 0.860 nan 8.240 nan 0.000 0.444 15 T N -0.505 113.921 114.554 -0.214 0.000 3.426 15 T HA 0.216 4.566 4.350 0.000 0.000 0.195 15 T C 0.384 174.749 174.700 -0.558 0.000 0.963 15 T CA -0.277 61.494 62.100 -0.548 0.000 1.154 15 T CB -0.230 68.151 68.868 -0.811 0.000 1.377 15 T HN 0.532 nan 8.240 nan 0.000 0.342 16 H N 3.384 122.264 119.070 -0.317 0.000 2.848 16 H HA 0.489 5.045 4.556 0.000 0.000 0.317 16 H C 0.291 175.603 175.328 -0.027 0.000 1.046 16 H CA 0.842 56.807 56.048 -0.139 0.000 1.470 16 H CB 0.556 30.270 29.762 -0.080 0.000 1.483 16 H HN 0.724 nan 8.280 nan 0.000 0.548 17 T N -0.180 114.470 114.554 0.159 0.000 2.887 17 T HA 0.305 4.655 4.350 0.000 0.000 0.292 17 T C -0.032 174.793 174.700 0.208 0.000 1.087 17 T CA -1.368 60.831 62.100 0.165 0.000 1.009 17 T CB 2.234 71.203 68.868 0.169 0.000 1.203 17 T HN 0.329 nan 8.240 nan 0.000 0.518 18 K N 0.610 121.093 120.400 0.139 0.000 2.466 18 K HA 0.174 4.494 4.320 0.000 0.000 0.278 18 K C -0.104 176.555 176.600 0.097 0.000 1.048 18 K CA -0.305 56.041 56.287 0.098 0.000 1.088 18 K CB -0.475 32.057 32.500 0.053 0.000 0.884 18 K HN 0.771 nan 8.250 nan 0.000 0.478 19 C N 6.491 125.835 119.300 0.072 0.000 2.482 19 C HA 0.238 4.698 4.460 0.000 0.000 0.378 19 C C 1.839 176.730 174.990 -0.166 0.000 1.284 19 C CA -0.553 58.453 59.018 -0.021 0.000 1.826 19 C CB -0.316 27.458 27.740 0.057 0.000 2.473 19 C HN 1.115 nan 8.230 nan 0.000 0.562 20 R N 2.907 123.221 120.500 -0.309 0.000 2.117 20 R HA -0.130 4.210 4.340 0.000 0.000 0.243 20 R C 2.393 178.425 176.300 -0.446 0.000 1.143 20 R CA 1.800 57.691 56.100 -0.348 0.000 0.968 20 R CB -0.191 29.875 30.300 -0.390 0.000 0.863 20 R HN 0.832 nan 8.270 nan 0.000 0.444 21 R N -0.120 119.999 120.500 -0.634 0.000 2.048 21 R HA -0.085 4.255 4.340 0.000 0.000 0.224 21 R C 2.539 178.682 176.300 -0.261 0.000 1.163 21 R CA 1.647 57.408 56.100 -0.564 0.000 0.956 21 R CB -0.332 29.498 30.300 -0.783 0.000 0.849 21 R HN 0.469 nan 8.270 nan 0.000 0.435 22 C N -1.607 117.597 119.300 -0.160 0.000 2.533 22 C HA 0.447 4.907 4.460 0.000 0.000 0.272 22 C C 1.623 176.581 174.990 -0.053 0.000 1.371 22 C CA 0.243 59.217 59.018 -0.074 0.000 1.758 22 C CB -0.074 27.657 27.740 -0.016 0.000 1.972 22 C HN 0.750 nan 8.230 nan 0.000 0.522 23 G N 0.411 109.179 108.800 -0.054 0.000 2.176 23 G HA2 -0.157 3.803 3.960 0.000 0.000 0.253 23 G HA3 -0.157 3.803 3.960 0.000 0.000 0.253 23 G C -0.261 174.641 174.900 0.003 0.000 0.979 23 G CA 0.403 45.485 45.100 -0.030 0.000 0.641 23 G HN 0.636 nan 8.290 nan 0.000 0.530 24 E N 0.220 120.434 120.200 0.022 0.000 2.319 24 E HA 0.291 4.641 4.350 0.000 0.000 0.268 24 E C 0.503 177.146 176.600 0.071 0.000 1.050 24 E CA -0.634 55.790 56.400 0.041 0.000 0.878 24 E CB 1.103 30.832 29.700 0.048 0.000 1.066 24 E HN 0.359 nan 8.360 nan 0.000 0.406 25 K N 1.466 121.905 120.400 0.065 0.000 2.480 25 K HA 0.127 4.447 4.320 0.000 0.000 0.241 25 K C -0.342 176.333 176.600 0.124 0.000 1.261 25 K CA 0.158 56.501 56.287 0.093 0.000 1.193 25 K CB -0.245 32.293 32.500 0.063 0.000 1.598 25 K HN 0.154 nan 8.250 nan 0.000 0.278 26 S N 1.255 117.072 115.700 0.194 0.000 2.847 26 S HA 0.014 4.484 4.470 0.000 0.000 0.254 26 S C -0.860 174.022 174.600 0.471 0.000 1.039 26 S CA -0.496 57.870 58.200 0.276 0.000 1.113 26 S CB -0.025 63.276 63.200 0.169 0.000 1.092 26 S HN 0.517 nan 8.310 nan 0.000 0.620 27 Y N 3.763 124.205 120.300 0.237 0.000 2.585 27 Y HA 0.284 4.834 4.550 0.000 0.000 0.354 27 Y C 0.356 176.343 175.900 0.144 0.000 1.024 27 Y CA -1.279 56.944 58.100 0.205 0.000 1.321 27 Y CB -0.655 37.912 38.460 0.177 0.000 1.151 27 Y HN 0.264 nan 8.280 nan 0.000 0.525 28 H N 3.965 122.864 119.070 -0.284 0.000 3.145 28 H HA 0.001 4.557 4.556 0.000 0.000 0.263 28 H C 1.457 176.430 175.328 -0.591 0.000 1.057 28 H CA 0.689 56.432 56.048 -0.509 0.000 1.477 28 H CB 0.834 30.302 29.762 -0.490 0.000 1.529 28 H HN 0.833 nan 8.280 nan 0.000 0.508 29 T N 3.612 117.998 114.554 -0.279 0.000 3.098 29 T HA -0.064 4.286 4.350 0.000 0.000 0.266 29 T C 1.645 176.290 174.700 -0.092 0.000 1.145 29 T CA 1.026 62.996 62.100 -0.217 0.000 1.092 29 T CB -0.060 68.765 68.868 -0.072 0.000 0.908 29 T HN 0.550 nan 8.240 nan 0.000 0.526 30 K N 0.400 120.847 120.400 0.079 0.000 2.202 30 K HA 0.180 4.500 4.320 0.000 0.000 0.201 30 K C 2.057 178.588 176.600 -0.116 0.000 1.051 30 K CA 0.591 56.894 56.287 0.027 0.000 0.977 30 K CB 0.117 32.686 32.500 0.116 0.000 0.792 30 K HN 0.333 nan 8.250 nan 0.000 0.469 31 K N 0.697 120.948 120.400 -0.248 0.000 2.356 31 K HA 0.072 4.392 4.320 0.000 0.000 0.195 31 K C -0.124 176.329 176.600 -0.247 0.000 1.037 31 K CA -0.031 56.068 56.287 -0.312 0.000 1.014 31 K CB 0.389 32.607 32.500 -0.470 0.000 0.815 31 K HN -0.135 nan 8.250 nan 0.000 0.507 32 K N 0.575 120.766 120.400 -0.348 0.000 3.096 32 K HA -0.137 4.183 4.320 0.000 0.000 0.266 32 K C -1.028 175.430 176.600 -0.236 0.000 1.043 32 K CA 0.449 56.482 56.287 -0.422 0.000 0.758 32 K CB -2.202 30.229 32.500 -0.116 0.000 1.260 32 K HN 0.043 nan 8.250 nan 0.000 0.481 33 V N -0.095 119.664 119.914 -0.259 0.000 2.808 33 V HA 0.245 4.365 4.120 0.000 0.000 0.308 33 V C 0.020 176.211 176.094 0.162 0.000 1.099 33 V CA -1.173 61.138 62.300 0.018 0.000 0.920 33 V CB 2.508 34.318 31.823 -0.022 0.000 1.014 33 V HN 0.431 nan 8.190 nan 0.000 0.425 34 C N 3.645 123.157 119.300 0.353 0.000 2.347 34 C HA 0.437 4.897 4.460 0.000 0.000 0.353 34 C C 1.879 177.036 174.990 0.278 0.000 1.273 34 C CA 0.305 59.561 59.018 0.397 0.000 1.861 34 C CB 0.597 28.606 27.740 0.448 0.000 2.420 34 C HN 1.105 nan 8.230 nan 0.000 0.542 35 S N 3.156 119.028 115.700 0.287 0.000 2.607 35 S HA -0.056 4.414 4.470 0.000 0.000 0.224 35 S C 1.416 176.128 174.600 0.186 0.000 0.969 35 S CA 1.137 59.477 58.200 0.233 0.000 0.927 35 S CB -0.005 63.345 63.200 0.249 0.000 0.772 35 S HN 0.820 nan 8.310 nan 0.000 0.533 36 S N 0.280 116.087 115.700 0.179 0.000 2.591 36 S HA 0.069 4.539 4.470 0.000 0.000 0.235 36 S C 1.769 176.442 174.600 0.122 0.000 1.074 36 S CA 0.536 58.817 58.200 0.135 0.000 0.925 36 S CB -0.210 63.054 63.200 0.106 0.000 0.818 36 S HN 0.863 nan 8.310 nan 0.000 0.535 37 C N 0.109 119.492 119.300 0.138 0.000 3.230 37 C HA 0.685 5.145 4.460 0.000 0.000 0.300 37 C C 1.684 176.757 174.990 0.139 0.000 1.292 37 C CA 0.386 59.469 59.018 0.110 0.000 1.707 37 C CB -0.376 27.417 27.740 0.089 0.000 2.181 37 C HN 0.794 nan 8.230 nan 0.000 0.655 38 G N 0.814 109.725 108.800 0.184 0.000 2.147 38 G HA2 -0.257 3.703 3.960 0.000 0.000 0.244 38 G HA3 -0.257 3.703 3.960 0.000 0.000 0.244 38 G C -0.258 174.764 174.900 0.203 0.000 1.005 38 G CA 0.251 45.454 45.100 0.172 0.000 0.713 38 G HN 0.856 nan 8.290 nan 0.000 0.515 39 F N 1.276 121.289 119.950 0.104 0.000 2.543 39 F HA 0.450 4.977 4.527 0.000 0.000 0.375 39 F C 1.405 177.302 175.800 0.162 0.000 1.075 39 F CA 0.714 58.767 58.000 0.087 0.000 1.225 39 F CB 0.756 39.772 39.000 0.027 0.000 1.099 39 F HN 1.094 nan 8.300 nan 0.000 0.561 40 G N 4.508 112.971 108.800 -0.563 0.000 2.179 40 G HA2 -0.302 3.658 3.960 0.000 0.000 0.220 40 G HA3 -0.302 3.658 3.960 0.000 0.000 0.220 40 G C 0.802 175.611 174.900 -0.151 0.000 0.990 40 G CA 0.440 45.288 45.100 -0.419 0.000 0.646 40 G HN 0.824 nan 8.290 nan 0.000 0.517 41 K N -0.750 119.610 120.400 -0.068 0.000 2.606 41 K HA 0.434 4.754 4.320 0.000 0.000 0.199 41 K C 0.638 177.240 176.600 0.002 0.000 1.403 41 K CA 0.823 57.100 56.287 -0.015 0.000 1.011 41 K CB 0.484 33.000 32.500 0.027 0.000 1.623 41 K HN 0.386 nan 8.250 nan 0.000 0.512 42 S N -0.354 115.363 115.700 0.028 0.000 2.500 42 S HA 0.579 5.049 4.470 0.000 0.000 0.301 42 S C 0.402 175.033 174.600 0.052 0.000 1.092 42 S CA -0.211 58.008 58.200 0.032 0.000 1.030 42 S CB 1.769 64.987 63.200 0.029 0.000 1.031 42 S HN 0.370 nan 8.310 nan 0.000 0.483 43 A N 4.993 127.836 122.820 0.039 0.000 1.898 43 A HA 0.115 4.435 4.320 0.000 0.000 0.216 43 A C 0.901 178.513 177.584 0.045 0.000 1.181 43 A CA 1.047 53.115 52.037 0.053 0.000 0.620 43 A CB -0.433 18.586 19.000 0.032 0.000 0.819 43 A HN 0.794 nan 8.150 nan 0.000 0.442 44 K N 0.353 120.764 120.400 0.018 0.000 2.219 44 K HA 0.280 4.601 4.320 0.000 0.000 0.258 44 K C -0.152 176.447 176.600 -0.001 0.000 1.008 44 K CA -0.500 55.784 56.287 -0.004 0.000 0.928 44 K CB 0.414 32.895 32.500 -0.030 0.000 0.983 44 K HN 0.175 nan 8.250 nan 0.000 0.484 45 R N 2.075 122.564 120.500 -0.020 0.000 2.390 45 R HA 0.086 4.426 4.340 0.000 0.000 0.291 45 R C 0.183 176.443 176.300 -0.068 0.000 1.070 45 R CA -0.352 55.737 56.100 -0.019 0.000 1.014 45 R CB 0.664 30.947 30.300 -0.027 0.000 1.007 45 R HN 0.605 nan 8.270 nan 0.000 0.466 46 R N 1.869 122.346 120.500 -0.038 0.000 2.484 46 R HA -0.056 4.284 4.340 0.000 0.000 0.293 46 R C -0.925 175.263 176.300 -0.186 0.000 1.023 46 R CA 0.662 56.707 56.100 -0.092 0.000 1.037 46 R CB 0.250 30.589 30.300 0.064 0.000 0.951 46 R HN 0.614 nan 8.270 nan 0.000 0.418 47 D N 2.990 123.109 120.400 -0.467 0.000 2.836 47 D HA 0.272 4.912 4.640 0.000 0.000 0.215 47 D C -1.982 173.825 176.300 -0.821 0.000 1.255 47 D CA -0.352 53.383 54.000 -0.441 0.000 0.822 47 D CB 0.740 41.373 40.800 -0.278 0.000 1.656 47 D HN 0.411 nan 8.370 nan 0.000 0.511 48 Y N 1.099 121.116 120.300 -0.472 0.000 2.492 48 Y HA 0.297 4.847 4.550 0.000 0.000 0.346 48 Y C 0.989 176.534 175.900 -0.591 0.000 0.997 48 Y CA -0.858 56.828 58.100 -0.690 0.000 1.025 48 Y CB 2.106 39.667 38.460 -1.498 0.000 1.263 48 Y HN 0.262 nan 8.280 nan 0.000 0.454 49 E N 1.963 122.037 120.200 -0.209 0.000 2.472 49 E HA -0.119 4.231 4.350 0.000 0.000 0.200 49 E C 1.065 177.686 176.600 0.035 0.000 1.046 49 E CA 0.733 57.093 56.400 -0.067 0.000 0.871 49 E CB -0.019 29.692 29.700 0.019 0.000 0.806 49 E HN 0.836 nan 8.360 nan 0.000 0.533 50 W N -0.114 121.251 121.300 0.109 0.000 3.278 50 W HA 0.207 4.867 4.660 0.000 0.000 0.308 50 W C 0.719 177.270 176.519 0.054 0.000 1.253 50 W CA -0.332 57.050 57.345 0.062 0.000 1.759 50 W CB -0.230 29.250 29.460 0.032 0.000 1.093 50 W HN -0.023 nan 8.180 nan 0.000 0.648 51 Q N 1.897 121.717 119.800 0.033 0.000 2.482 51 Q HA -0.010 4.330 4.340 0.000 0.000 0.209 51 Q C 0.905 176.958 176.000 0.089 0.000 0.961 51 Q CA 0.890 56.730 55.803 0.061 0.000 0.945 51 Q CB 0.269 28.929 28.738 -0.130 0.000 1.012 51 Q HN 0.215 nan 8.270 nan 0.000 0.515 52 S N -1.101 114.653 115.700 0.089 0.000 2.651 52 S HA 0.458 4.928 4.470 0.000 0.000 0.279 52 S C -0.779 173.873 174.600 0.087 0.000 1.148 52 S CA -1.178 57.063 58.200 0.069 0.000 0.837 52 S CB 1.892 65.111 63.200 0.031 0.000 1.138 52 S HN -0.199 nan 8.310 nan 0.000 0.478 53 K N 0.821 121.260 120.400 0.065 0.000 2.355 53 K HA 0.409 4.729 4.320 0.000 0.000 0.270 53 K C 1.688 178.323 176.600 0.058 0.000 1.003 53 K CA 0.416 56.740 56.287 0.062 0.000 0.957 53 K CB 0.597 33.124 32.500 0.044 0.000 0.939 53 K HN 0.819 nan 8.250 nan 0.000 0.482 54 A N 2.917 125.774 122.820 0.062 0.000 1.894 54 A HA -0.206 4.115 4.320 0.000 0.000 0.220 54 A C 1.501 179.109 177.584 0.040 0.000 1.237 54 A CA 2.434 54.505 52.037 0.056 0.000 0.660 54 A CB -0.905 18.125 19.000 0.049 0.000 0.835 54 A HN 0.742 nan 8.150 nan 0.000 0.461 55 G N -0.846 107.973 108.800 0.032 0.000 3.882 55 G HA2 0.470 4.430 3.960 0.000 0.000 0.283 55 G HA3 0.470 4.430 3.960 0.000 0.000 0.283 55 G C -0.072 174.840 174.900 0.020 0.000 1.283 55 G CA 0.528 45.642 45.100 0.023 0.000 1.402 55 G HN 0.650 nan 8.290 nan 0.000 0.618 56 E N 0.000 120.213 120.200 0.021 0.000 0.000 56 E HA 0.000 4.350 4.350 0.000 0.000 0.000 56 E CA 0.000 56.410 56.400 0.016 0.000 0.000 56 E CB 0.000 29.711 29.700 0.019 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000