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 1yj9_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 0.906 109.706 108.800 0.001 0.000 2.569 2 G HA2 0.530 4.490 3.960 0.000 0.000 0.249 2 G HA3 0.530 4.490 3.960 0.000 0.000 0.249 2 G C 1.005 175.906 174.900 0.001 0.000 1.216 2 G CA -0.099 45.001 45.100 0.001 0.000 0.845 2 G HN 0.911 nan 8.290 nan 0.000 0.568 3 A N 1.040 123.860 122.820 0.001 0.000 2.218 3 A HA 0.414 4.734 4.320 0.000 0.000 0.209 3 A C 1.703 179.288 177.584 0.002 0.000 1.168 3 A CA 1.231 53.269 52.037 0.001 0.000 0.804 3 A CB -0.339 18.661 19.000 0.001 0.000 0.834 3 A HN 0.927 nan 8.150 nan 0.000 0.482 4 G N -1.094 107.707 108.800 0.001 0.000 2.928 4 G HA2 0.272 4.232 3.960 0.000 0.000 0.163 4 G HA3 0.272 4.232 3.960 0.000 0.000 0.163 4 G C 1.157 176.058 174.900 0.002 0.000 1.573 4 G CA 0.826 45.926 45.100 0.001 0.000 1.084 4 G HN 0.179 nan 8.290 nan 0.000 0.569 5 T N 2.631 117.186 114.554 0.002 0.000 2.616 5 T HA -0.193 4.158 4.350 0.000 0.000 0.261 5 T C 0.092 174.793 174.700 0.002 0.000 1.105 5 T CA 2.391 64.492 62.100 0.002 0.000 1.159 5 T CB -1.358 67.511 68.868 0.002 0.000 0.856 5 T HN 0.443 nan 8.240 nan 0.000 0.449 6 P HA 0.009 nan 4.420 nan 0.000 0.221 6 P C 1.135 178.436 177.300 0.003 0.000 1.145 6 P CA 1.154 64.255 63.100 0.002 0.000 0.795 6 P CB -0.095 31.606 31.700 0.002 0.000 0.775 7 S N -0.871 114.831 115.700 0.003 0.000 2.548 7 S HA 0.046 4.516 4.470 0.000 0.000 0.215 7 S C 1.747 176.349 174.600 0.004 0.000 0.976 7 S CA 0.124 58.326 58.200 0.004 0.000 0.908 7 S CB -0.224 62.978 63.200 0.004 0.000 0.781 7 S HN 0.089 nan 8.310 nan 0.000 0.519 8 Q N 1.133 120.936 119.800 0.004 0.000 2.230 8 Q HA 0.107 4.447 4.340 0.000 0.000 0.202 8 Q C 2.178 178.181 176.000 0.005 0.000 0.963 8 Q CA 0.999 56.805 55.803 0.005 0.000 0.866 8 Q CB -1.036 27.704 28.738 0.004 0.000 0.931 8 Q HN 0.569 nan 8.270 nan 0.000 0.452 9 G N 0.861 109.663 108.800 0.004 0.000 2.498 9 G HA2 -0.221 3.740 3.960 0.000 0.000 0.219 9 G HA3 -0.221 3.740 3.960 0.000 0.000 0.219 9 G C 1.208 176.111 174.900 0.005 0.000 1.119 9 G CA 0.360 45.463 45.100 0.004 0.000 0.766 9 G HN 0.306 nan 8.290 nan 0.000 0.552 10 K N 0.084 120.487 120.400 0.005 0.000 2.404 10 K HA 0.101 4.421 4.320 0.000 0.000 0.194 10 K C 0.368 176.971 176.600 0.006 0.000 1.023 10 K CA -0.012 56.278 56.287 0.005 0.000 1.094 10 K CB 0.406 32.910 32.500 0.005 0.000 0.841 10 K HN 0.147 nan 8.250 nan 0.000 0.523 11 K N 3.043 123.447 120.400 0.007 0.000 2.155 11 K HA 0.033 4.353 4.320 0.000 0.000 0.240 11 K C 0.164 176.768 176.600 0.007 0.000 1.193 11 K CA -0.064 56.228 56.287 0.008 0.000 1.104 11 K CB -0.136 32.370 32.500 0.009 0.000 1.558 11 K HN 0.157 nan 8.250 nan 0.000 0.313 12 N N 0.231 118.935 118.700 0.006 0.000 2.377 12 N HA 0.006 4.746 4.740 0.000 0.000 0.259 12 N C -0.819 174.693 175.510 0.004 0.000 1.332 12 N CA -0.430 52.623 53.050 0.005 0.000 0.877 12 N CB 0.743 39.233 38.487 0.005 0.000 1.299 12 N HN -0.068 nan 8.380 nan 0.000 0.501 13 T N 0.411 114.966 114.554 0.002 0.000 2.829 13 T HA 0.349 4.699 4.350 0.000 0.000 0.282 13 T C -0.322 174.371 174.700 -0.011 0.000 0.990 13 T CA 0.081 62.181 62.100 -0.001 0.000 1.028 13 T CB 1.595 70.464 68.868 0.001 0.000 0.951 13 T HN 0.025 nan 8.240 nan 0.000 0.460 14 T N 2.433 116.977 114.554 -0.016 0.000 2.799 14 T HA 0.468 4.818 4.350 0.000 0.000 0.286 14 T C 1.209 175.857 174.700 -0.087 0.000 0.973 14 T CA -0.462 61.619 62.100 -0.032 0.000 1.035 14 T CB 1.015 69.876 68.868 -0.011 0.000 0.932 14 T HN 0.873 nan 8.240 nan 0.000 0.469 15 T N -0.159 114.291 114.554 -0.173 0.000 3.400 15 T HA 0.184 4.534 4.350 0.000 0.000 0.228 15 T C 0.363 174.738 174.700 -0.543 0.000 0.992 15 T CA -0.277 61.535 62.100 -0.481 0.000 1.222 15 T CB -0.136 68.283 68.868 -0.749 0.000 1.236 15 T HN 0.545 nan 8.240 nan 0.000 0.357 16 H N 3.292 122.192 119.070 -0.283 0.000 2.767 16 H HA 0.544 5.100 4.556 0.000 0.000 0.316 16 H C 0.117 175.436 175.328 -0.015 0.000 1.059 16 H CA 0.630 56.599 56.048 -0.132 0.000 1.461 16 H CB 0.778 30.487 29.762 -0.089 0.000 1.475 16 H HN 0.693 nan 8.280 nan 0.000 0.531 17 T N -0.162 114.494 114.554 0.169 0.000 2.887 17 T HA 0.282 4.632 4.350 0.000 0.000 0.292 17 T C -0.016 174.798 174.700 0.191 0.000 1.087 17 T CA -1.362 60.836 62.100 0.164 0.000 1.009 17 T CB 2.173 71.141 68.868 0.166 0.000 1.203 17 T HN 0.254 nan 8.240 nan 0.000 0.518 18 K N 0.483 120.953 120.400 0.116 0.000 2.504 18 K HA 0.125 4.445 4.320 0.000 0.000 0.278 18 K C -0.213 176.424 176.600 0.062 0.000 1.025 18 K CA -0.176 56.153 56.287 0.071 0.000 1.093 18 K CB -0.421 32.097 32.500 0.030 0.000 0.873 18 K HN 0.795 nan 8.250 nan 0.000 0.483 19 C N 6.580 125.902 119.300 0.036 0.000 2.415 19 C HA 0.312 4.772 4.460 0.000 0.000 0.369 19 C C 1.799 176.662 174.990 -0.211 0.000 1.279 19 C CA -0.661 58.322 59.018 -0.057 0.000 1.886 19 C CB -0.094 27.673 27.740 0.045 0.000 2.468 19 C HN 1.101 nan 8.230 nan 0.000 0.553 20 R N 3.155 123.427 120.500 -0.381 0.000 2.127 20 R HA -0.119 4.221 4.340 0.000 0.000 0.238 20 R C 2.290 178.299 176.300 -0.485 0.000 1.134 20 R CA 1.691 57.551 56.100 -0.401 0.000 0.975 20 R CB -0.231 29.799 30.300 -0.450 0.000 0.865 20 R HN 0.855 nan 8.270 nan 0.000 0.447 21 R N -0.136 119.962 120.500 -0.669 0.000 2.075 21 R HA -0.059 4.281 4.340 0.000 0.000 0.220 21 R C 2.098 178.245 176.300 -0.255 0.000 1.118 21 R CA 1.507 57.264 56.100 -0.570 0.000 0.986 21 R CB -0.049 29.771 30.300 -0.800 0.000 0.884 21 R HN 0.460 nan 8.270 nan 0.000 0.439 22 C N -1.765 117.442 119.300 -0.155 0.000 3.183 22 C HA 0.524 4.984 4.460 0.000 0.000 0.285 22 C C 1.336 176.296 174.990 -0.051 0.000 1.313 22 C CA 0.045 59.021 59.018 -0.070 0.000 1.711 22 C CB 0.040 27.773 27.740 -0.012 0.000 2.135 22 C HN 0.667 nan 8.230 nan 0.000 0.651 23 G N 1.092 109.852 108.800 -0.066 0.000 2.155 23 G HA2 -0.175 3.785 3.960 0.000 0.000 0.257 23 G HA3 -0.175 3.785 3.960 0.000 0.000 0.257 23 G C -0.258 174.639 174.900 -0.005 0.000 0.983 23 G CA 0.670 45.746 45.100 -0.041 0.000 0.676 23 G HN 0.661 nan 8.290 nan 0.000 0.528 24 E N -0.181 120.031 120.200 0.018 0.000 2.250 24 E HA 0.333 4.683 4.350 0.000 0.000 0.269 24 E C 0.485 177.129 176.600 0.072 0.000 1.018 24 E CA -0.788 55.637 56.400 0.041 0.000 0.873 24 E CB 1.085 30.817 29.700 0.052 0.000 1.134 24 E HN 0.318 nan 8.360 nan 0.000 0.403 25 K N 1.155 121.595 120.400 0.067 0.000 2.751 25 K HA 0.145 4.465 4.320 0.000 0.000 0.252 25 K C -0.416 176.261 176.600 0.129 0.000 1.277 25 K CA 0.127 56.471 56.287 0.094 0.000 1.226 25 K CB -0.292 32.245 32.500 0.062 0.000 1.658 25 K HN 0.159 nan 8.250 nan 0.000 0.303 26 S N 0.943 116.758 115.700 0.191 0.000 2.937 26 S HA 0.028 4.498 4.470 0.000 0.000 0.252 26 S C -0.904 173.951 174.600 0.425 0.000 1.022 26 S CA -0.512 57.844 58.200 0.260 0.000 1.079 26 S CB -0.075 63.218 63.200 0.155 0.000 1.035 26 S HN 0.471 nan 8.310 nan 0.000 0.594 27 Y N 3.430 123.862 120.300 0.220 0.000 2.452 27 Y HA 0.316 4.866 4.550 0.000 0.000 0.348 27 Y C 0.304 176.282 175.900 0.131 0.000 0.985 27 Y CA -1.173 57.045 58.100 0.197 0.000 1.214 27 Y CB -0.218 38.344 38.460 0.170 0.000 1.136 27 Y HN 0.283 nan 8.280 nan 0.000 0.523 28 H N 4.399 123.255 119.070 -0.357 0.000 3.157 28 H HA 0.049 4.605 4.556 0.000 0.000 0.260 28 H C 1.474 176.476 175.328 -0.545 0.000 1.232 28 H CA 0.404 56.156 56.048 -0.493 0.000 1.488 28 H CB 0.815 30.305 29.762 -0.453 0.000 1.548 28 H HN 0.903 nan 8.280 nan 0.000 0.487 29 T N 3.113 117.558 114.554 -0.182 0.000 2.897 29 T HA -0.132 4.218 4.350 0.000 0.000 0.271 29 T C 1.663 176.351 174.700 -0.021 0.000 1.084 29 T CA 1.447 63.490 62.100 -0.096 0.000 1.123 29 T CB 0.016 68.895 68.868 0.018 0.000 0.865 29 T HN 0.621 nan 8.240 nan 0.000 0.496 30 K N -0.093 120.384 120.400 0.128 0.000 2.262 30 K HA 0.125 4.445 4.320 0.000 0.000 0.200 30 K C 2.188 178.693 176.600 -0.157 0.000 1.049 30 K CA 0.608 56.901 56.287 0.009 0.000 0.979 30 K CB 0.180 32.717 32.500 0.062 0.000 0.773 30 K HN 0.310 nan 8.250 nan 0.000 0.474 31 K N 0.413 120.629 120.400 -0.306 0.000 2.334 31 K HA 0.072 4.392 4.320 0.000 0.000 0.195 31 K C -0.151 176.291 176.600 -0.263 0.000 1.045 31 K CA 0.015 56.091 56.287 -0.352 0.000 1.004 31 K CB 0.499 32.693 32.500 -0.510 0.000 0.837 31 K HN -0.169 nan 8.250 nan 0.000 0.510 32 K N 0.638 120.826 120.400 -0.353 0.000 3.162 32 K HA -0.126 4.194 4.320 0.000 0.000 0.268 32 K C -1.141 175.262 176.600 -0.328 0.000 1.062 32 K CA 0.400 56.440 56.287 -0.412 0.000 0.769 32 K CB -2.165 30.279 32.500 -0.092 0.000 1.274 32 K HN 0.054 nan 8.250 nan 0.000 0.478 33 V N -0.061 119.599 119.914 -0.424 0.000 2.817 33 V HA 0.177 4.297 4.120 0.000 0.000 0.303 33 V C -0.138 176.004 176.094 0.081 0.000 1.151 33 V CA -1.187 61.069 62.300 -0.073 0.000 0.929 33 V CB 2.435 34.223 31.823 -0.057 0.000 1.030 33 V HN 0.465 nan 8.190 nan 0.000 0.427 34 C N 4.078 123.576 119.300 0.330 0.000 2.415 34 C HA 0.407 4.867 4.460 0.000 0.000 0.369 34 C C 1.969 177.116 174.990 0.263 0.000 1.279 34 C CA 0.391 59.639 59.018 0.383 0.000 1.886 34 C CB 0.431 28.449 27.740 0.464 0.000 2.468 34 C HN 1.131 nan 8.230 nan 0.000 0.553 35 S N 3.343 119.200 115.700 0.262 0.000 2.561 35 S HA -0.073 4.397 4.470 0.000 0.000 0.225 35 S C 1.555 176.266 174.600 0.184 0.000 0.977 35 S CA 1.297 59.628 58.200 0.218 0.000 0.926 35 S CB -0.057 63.277 63.200 0.223 0.000 0.769 35 S HN 0.825 nan 8.310 nan 0.000 0.533 36 S N 0.541 116.346 115.700 0.175 0.000 2.438 36 S HA 0.021 4.491 4.470 0.000 0.000 0.220 36 S C 1.964 176.637 174.600 0.121 0.000 1.045 36 S CA 0.644 58.925 58.200 0.135 0.000 0.940 36 S CB -0.496 62.767 63.200 0.107 0.000 0.863 36 S HN 0.878 nan 8.310 nan 0.000 0.539 37 C N 0.436 119.818 119.300 0.137 0.000 2.780 37 C HA 0.664 5.124 4.460 0.000 0.000 0.267 37 C C 1.869 176.942 174.990 0.138 0.000 1.266 37 C CA 0.268 59.354 59.018 0.112 0.000 1.709 37 C CB -0.600 27.204 27.740 0.107 0.000 1.975 37 C HN 0.823 nan 8.230 nan 0.000 0.582 38 G N 0.359 109.267 108.800 0.179 0.000 2.179 38 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 38 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 38 G C -0.117 174.891 174.900 0.180 0.000 0.977 38 G CA 0.252 45.447 45.100 0.158 0.000 0.641 38 G HN 0.862 nan 8.290 nan 0.000 0.533 39 F N 1.540 121.554 119.950 0.106 0.000 2.623 39 F HA 0.387 4.914 4.527 0.000 0.000 0.383 39 F C 1.534 177.435 175.800 0.167 0.000 1.077 39 F CA 1.494 59.558 58.000 0.106 0.000 1.268 39 F CB 0.533 39.582 39.000 0.082 0.000 1.053 39 F HN 1.186 nan 8.300 nan 0.000 0.571 40 G N 4.484 112.878 108.800 -0.675 0.000 2.213 40 G HA2 -0.335 3.625 3.960 0.000 0.000 0.236 40 G HA3 -0.335 3.625 3.960 0.000 0.000 0.236 40 G C 1.062 175.847 174.900 -0.193 0.000 0.991 40 G CA 0.455 45.258 45.100 -0.495 0.000 0.629 40 G HN 0.785 nan 8.290 nan 0.000 0.517 41 K N 0.310 120.654 120.400 -0.094 0.000 2.325 41 K HA 0.387 4.707 4.320 0.000 0.000 0.203 41 K C 1.063 177.652 176.600 -0.018 0.000 1.128 41 K CA 1.265 57.533 56.287 -0.033 0.000 0.931 41 K CB 0.405 32.915 32.500 0.018 0.000 1.125 41 K HN 0.787 nan 8.250 nan 0.000 0.487 42 S N -1.421 114.280 115.700 0.002 0.000 2.595 42 S HA 0.607 5.077 4.470 0.000 0.000 0.281 42 S C 0.448 175.067 174.600 0.031 0.000 1.117 42 S CA -0.471 57.737 58.200 0.013 0.000 0.873 42 S CB 1.822 65.033 63.200 0.018 0.000 1.108 42 S HN 0.166 nan 8.310 nan 0.000 0.477 43 A N 1.518 124.354 122.820 0.027 0.000 1.930 43 A HA 0.233 4.553 4.320 0.000 0.000 0.215 43 A C 0.880 178.488 177.584 0.040 0.000 1.176 43 A CA 0.659 52.723 52.037 0.044 0.000 0.632 43 A CB -0.565 18.452 19.000 0.029 0.000 0.819 43 A HN 0.804 nan 8.150 nan 0.000 0.445 44 K N 0.579 120.988 120.400 0.015 0.000 2.258 44 K HA 0.287 4.607 4.320 0.000 0.000 0.264 44 K C -0.110 176.488 176.600 -0.004 0.000 1.007 44 K CA -0.308 55.976 56.287 -0.005 0.000 0.941 44 K CB 0.561 33.044 32.500 -0.028 0.000 0.966 44 K HN 0.236 nan 8.250 nan 0.000 0.480 45 R N 1.999 122.487 120.500 -0.020 0.000 2.441 45 R HA 0.091 4.431 4.340 0.000 0.000 0.284 45 R C 0.178 176.430 176.300 -0.081 0.000 1.070 45 R CA -0.429 55.659 56.100 -0.021 0.000 1.047 45 R CB 0.823 31.109 30.300 -0.023 0.000 1.016 45 R HN 0.536 nan 8.270 nan 0.000 0.477 46 R N 2.026 122.489 120.500 -0.061 0.000 2.484 46 R HA -0.082 4.258 4.340 0.000 0.000 0.293 46 R C -0.943 175.208 176.300 -0.249 0.000 1.023 46 R CA 0.776 56.790 56.100 -0.142 0.000 1.037 46 R CB 0.227 30.534 30.300 0.011 0.000 0.951 46 R HN 0.641 nan 8.270 nan 0.000 0.418 47 D N 3.300 123.371 120.400 -0.548 0.000 2.812 47 D HA 0.216 4.856 4.640 0.000 0.000 0.210 47 D C -1.965 173.808 176.300 -0.879 0.000 1.260 47 D CA -0.382 53.309 54.000 -0.514 0.000 0.817 47 D CB 0.575 41.194 40.800 -0.301 0.000 1.694 47 D HN 0.397 nan 8.370 nan 0.000 0.530 48 Y N 1.289 121.286 120.300 -0.504 0.000 2.545 48 Y HA 0.330 4.880 4.550 0.000 0.000 0.348 48 Y C 1.222 176.743 175.900 -0.633 0.000 1.002 48 Y CA -0.886 56.787 58.100 -0.711 0.000 1.039 48 Y CB 2.027 39.578 38.460 -1.514 0.000 1.271 48 Y HN 0.259 nan 8.280 nan 0.000 0.467 49 E N 1.710 121.766 120.200 -0.241 0.000 2.204 49 E HA -0.144 4.206 4.350 0.000 0.000 0.194 49 E C 1.462 178.056 176.600 -0.009 0.000 0.989 49 E CA 0.993 57.337 56.400 -0.094 0.000 0.824 49 E CB -0.090 29.617 29.700 0.012 0.000 0.756 49 E HN 0.834 nan 8.360 nan 0.000 0.477 50 W N 0.739 122.102 121.300 0.105 0.000 3.204 50 W HA 0.086 4.746 4.660 0.000 0.000 0.249 50 W C 0.554 177.108 176.519 0.059 0.000 1.322 50 W CA -0.151 57.231 57.345 0.061 0.000 1.593 50 W CB -0.495 28.984 29.460 0.031 0.000 1.122 50 W HN 0.032 nan 8.180 nan 0.000 0.710 51 Q N 1.733 121.553 119.800 0.035 0.000 2.415 51 Q HA 0.017 4.357 4.340 0.000 0.000 0.206 51 Q C 0.512 176.562 176.000 0.083 0.000 0.946 51 Q CA 0.592 56.431 55.803 0.060 0.000 0.951 51 Q CB 0.237 28.896 28.738 -0.132 0.000 1.026 51 Q HN 0.233 nan 8.270 nan 0.000 0.510 52 S N -1.325 114.431 115.700 0.094 0.000 2.567 52 S HA 0.377 4.848 4.470 0.000 0.000 0.270 52 S C -0.958 173.690 174.600 0.081 0.000 1.152 52 S CA -1.270 56.971 58.200 0.069 0.000 0.835 52 S CB 1.528 64.746 63.200 0.031 0.000 1.115 52 S HN -0.165 nan 8.310 nan 0.000 0.459 53 K N 0.975 121.413 120.400 0.063 0.000 2.518 53 K HA 0.253 4.574 4.320 0.000 0.000 0.276 53 K C 1.704 178.336 176.600 0.054 0.000 0.974 53 K CA 0.583 56.904 56.287 0.058 0.000 0.986 53 K CB 0.146 32.671 32.500 0.041 0.000 0.901 53 K HN 0.856 nan 8.250 nan 0.000 0.497 54 A N 2.919 125.773 122.820 0.056 0.000 1.892 54 A HA -0.139 4.181 4.320 0.000 0.000 0.218 54 A C 1.618 179.223 177.584 0.036 0.000 1.188 54 A CA 2.157 54.224 52.037 0.051 0.000 0.631 54 A CB -0.684 18.345 19.000 0.049 0.000 0.822 54 A HN 0.735 nan 8.150 nan 0.000 0.447 55 G N -0.763 108.054 108.800 0.029 0.000 3.530 55 G HA2 0.437 4.397 3.960 0.000 0.000 0.269 55 G HA3 0.437 4.397 3.960 0.000 0.000 0.269 55 G C 0.013 174.924 174.900 0.018 0.000 1.314 55 G CA 0.483 45.595 45.100 0.021 0.000 1.441 55 G HN 0.620 nan 8.290 nan 0.000 0.595 56 E N 0.000 120.212 120.200 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 56.409 56.400 0.015 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