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 1jj2_1_Z 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 0.848 109.649 108.800 0.001 0.000 2.380 2 G HA2 0.436 4.396 3.960 0.000 0.000 0.242 2 G HA3 0.436 4.396 3.960 0.000 0.000 0.242 2 G C 1.069 175.969 174.900 0.001 0.000 1.298 2 G CA 0.024 45.124 45.100 0.001 0.000 0.878 2 G HN 1.050 nan 8.290 nan 0.000 0.542 3 A N 2.297 125.118 122.820 0.001 0.000 2.167 3 A HA 0.329 4.649 4.320 0.000 0.000 0.214 3 A C 1.875 179.461 177.584 0.002 0.000 1.151 3 A CA 1.465 53.503 52.037 0.002 0.000 0.735 3 A CB -0.231 18.769 19.000 0.001 0.000 0.802 3 A HN 0.891 nan 8.150 nan 0.000 0.467 4 G N -1.070 107.731 108.800 0.002 0.000 3.311 4 G HA2 0.225 4.185 3.960 0.000 0.000 0.169 4 G HA3 0.225 4.185 3.960 0.000 0.000 0.169 4 G C 1.216 176.117 174.900 0.003 0.000 1.852 4 G CA 0.890 45.991 45.100 0.002 0.000 1.010 4 G HN 0.205 nan 8.290 nan 0.000 0.530 5 T N 2.730 117.285 114.554 0.003 0.000 2.620 5 T HA -0.139 4.211 4.350 0.000 0.000 0.267 5 T C 0.098 174.799 174.700 0.003 0.000 1.044 5 T CA 2.156 64.257 62.100 0.003 0.000 1.161 5 T CB -1.167 67.702 68.868 0.002 0.000 0.862 5 T HN 0.367 nan 8.240 nan 0.000 0.438 6 P HA 0.029 nan 4.420 nan 0.000 0.218 6 P C 1.284 178.586 177.300 0.003 0.000 1.148 6 P CA 1.048 64.149 63.100 0.002 0.000 0.822 6 P CB -0.114 31.587 31.700 0.002 0.000 0.784 7 S N -0.422 115.280 115.700 0.003 0.000 2.603 7 S HA 0.003 4.473 4.470 0.000 0.000 0.220 7 S C 1.680 176.283 174.600 0.005 0.000 0.967 7 S CA 0.420 58.622 58.200 0.004 0.000 0.920 7 S CB -0.384 62.818 63.200 0.004 0.000 0.773 7 S HN 0.159 nan 8.310 nan 0.000 0.529 8 Q N 0.557 120.360 119.800 0.005 0.000 2.432 8 Q HA 0.157 4.497 4.340 0.000 0.000 0.205 8 Q C 2.090 178.093 176.000 0.006 0.000 0.945 8 Q CA 0.557 56.363 55.803 0.006 0.000 0.924 8 Q CB -0.778 27.964 28.738 0.006 0.000 1.016 8 Q HN 0.566 nan 8.270 nan 0.000 0.503 9 G N 1.067 109.870 108.800 0.005 0.000 2.443 9 G HA2 -0.206 3.754 3.960 0.000 0.000 0.219 9 G HA3 -0.206 3.754 3.960 0.000 0.000 0.219 9 G C 1.224 176.127 174.900 0.004 0.000 1.131 9 G CA 0.183 45.285 45.100 0.004 0.000 0.775 9 G HN 0.288 nan 8.290 nan 0.000 0.547 10 K N 0.344 120.747 120.400 0.004 0.000 2.458 10 K HA 0.105 4.425 4.320 0.000 0.000 0.194 10 K C 0.276 176.879 176.600 0.005 0.000 1.024 10 K CA 0.061 56.351 56.287 0.004 0.000 1.108 10 K CB 0.304 32.806 32.500 0.004 0.000 0.846 10 K HN 0.152 nan 8.250 nan 0.000 0.518 11 K N 2.696 123.099 120.400 0.006 0.000 2.187 11 K HA 0.046 4.366 4.320 0.000 0.000 0.242 11 K C 0.032 176.635 176.600 0.005 0.000 1.179 11 K CA -0.150 56.141 56.287 0.006 0.000 1.097 11 K CB -0.029 32.476 32.500 0.009 0.000 1.634 11 K HN 0.158 nan 8.250 nan 0.000 0.335 12 N N -0.053 118.648 118.700 0.002 0.000 2.365 12 N HA 0.007 4.747 4.740 0.000 0.000 0.257 12 N C -0.811 174.697 175.510 -0.003 0.000 1.287 12 N CA -0.468 52.582 53.050 0.001 0.000 0.882 12 N CB 0.695 39.183 38.487 0.001 0.000 1.250 12 N HN -0.084 nan 8.380 nan 0.000 0.507 13 T N 0.469 115.019 114.554 -0.006 0.000 2.795 13 T HA 0.342 4.692 4.350 0.000 0.000 0.282 13 T C -0.282 174.399 174.700 -0.031 0.000 0.980 13 T CA -0.027 62.063 62.100 -0.016 0.000 1.012 13 T CB 1.419 70.279 68.868 -0.014 0.000 0.936 13 T HN 0.044 nan 8.240 nan 0.000 0.457 14 T N 3.022 117.551 114.554 -0.042 0.000 2.743 14 T HA 0.410 4.760 4.350 0.000 0.000 0.293 14 T C 1.298 175.913 174.700 -0.141 0.000 0.945 14 T CA -0.486 61.577 62.100 -0.063 0.000 1.030 14 T CB 0.878 69.724 68.868 -0.038 0.000 0.912 14 T HN 0.862 nan 8.240 nan 0.000 0.483 15 T N -0.250 114.164 114.554 -0.233 0.000 3.447 15 T HA 0.160 4.510 4.350 0.000 0.000 0.218 15 T C 0.447 174.772 174.700 -0.624 0.000 0.972 15 T CA -0.313 61.433 62.100 -0.590 0.000 1.264 15 T CB -0.170 68.205 68.868 -0.822 0.000 1.284 15 T HN 0.546 nan 8.240 nan 0.000 0.361 16 H N 3.443 122.333 119.070 -0.300 0.000 2.848 16 H HA 0.484 5.040 4.556 0.000 0.000 0.317 16 H C 0.342 175.655 175.328 -0.025 0.000 1.046 16 H CA 0.802 56.774 56.048 -0.127 0.000 1.470 16 H CB 0.486 30.220 29.762 -0.047 0.000 1.483 16 H HN 0.724 nan 8.280 nan 0.000 0.548 17 T N -0.212 114.430 114.554 0.147 0.000 2.887 17 T HA 0.305 4.655 4.350 0.000 0.000 0.292 17 T C -0.010 174.807 174.700 0.195 0.000 1.087 17 T CA -1.371 60.820 62.100 0.152 0.000 1.009 17 T CB 2.230 71.184 68.868 0.145 0.000 1.203 17 T HN 0.319 nan 8.240 nan 0.000 0.518 18 K N 0.712 121.187 120.400 0.126 0.000 2.466 18 K HA 0.170 4.490 4.320 0.000 0.000 0.278 18 K C -0.017 176.637 176.600 0.090 0.000 1.048 18 K CA -0.273 56.068 56.287 0.090 0.000 1.088 18 K CB -0.607 31.920 32.500 0.045 0.000 0.884 18 K HN 0.778 nan 8.250 nan 0.000 0.478 19 C N 6.096 125.447 119.300 0.084 0.000 2.514 19 C HA 0.261 4.721 4.460 0.000 0.000 0.392 19 C C 1.854 176.758 174.990 -0.145 0.000 1.294 19 C CA -0.585 58.439 59.018 0.010 0.000 1.957 19 C CB 0.017 27.825 27.740 0.113 0.000 2.541 19 C HN 1.120 nan 8.230 nan 0.000 0.569 20 R N 2.632 122.962 120.500 -0.283 0.000 2.091 20 R HA -0.110 4.230 4.340 0.000 0.000 0.238 20 R C 2.439 178.482 176.300 -0.429 0.000 1.136 20 R CA 1.742 57.652 56.100 -0.317 0.000 0.959 20 R CB -0.247 29.864 30.300 -0.314 0.000 0.856 20 R HN 0.843 nan 8.270 nan 0.000 0.437 21 R N -0.002 120.090 120.500 -0.679 0.000 2.080 21 R HA -0.083 4.257 4.340 0.000 0.000 0.222 21 R C 2.203 178.334 176.300 -0.283 0.000 1.107 21 R CA 1.659 57.392 56.100 -0.613 0.000 0.980 21 R CB -0.049 29.678 30.300 -0.955 0.000 0.879 21 R HN 0.491 nan 8.270 nan 0.000 0.439 22 C N -2.758 116.437 119.300 -0.176 0.000 3.230 22 C HA 0.532 4.992 4.460 0.000 0.000 0.300 22 C C 1.482 176.440 174.990 -0.054 0.000 1.292 22 C CA 0.207 59.175 59.018 -0.084 0.000 1.707 22 C CB 0.372 28.095 27.740 -0.028 0.000 2.181 22 C HN 0.640 nan 8.230 nan 0.000 0.655 23 G N 0.774 109.541 108.800 -0.055 0.000 2.199 23 G HA2 -0.165 3.795 3.960 0.000 0.000 0.254 23 G HA3 -0.165 3.795 3.960 0.000 0.000 0.254 23 G C -0.242 174.660 174.900 0.004 0.000 0.982 23 G CA 0.448 45.531 45.100 -0.030 0.000 0.632 23 G HN 0.619 nan 8.290 nan 0.000 0.529 24 E N 0.386 120.601 120.200 0.024 0.000 2.349 24 E HA 0.286 4.636 4.350 0.000 0.000 0.265 24 E C 0.487 177.133 176.600 0.078 0.000 1.064 24 E CA -0.568 55.860 56.400 0.046 0.000 0.886 24 E CB 1.045 30.777 29.700 0.053 0.000 1.036 24 E HN 0.370 nan 8.360 nan 0.000 0.413 25 K N 1.486 121.929 120.400 0.072 0.000 2.480 25 K HA 0.117 4.437 4.320 0.000 0.000 0.241 25 K C -0.293 176.386 176.600 0.132 0.000 1.261 25 K CA 0.161 56.507 56.287 0.099 0.000 1.193 25 K CB -0.249 32.292 32.500 0.069 0.000 1.598 25 K HN 0.181 nan 8.250 nan 0.000 0.278 26 S N 1.173 116.989 115.700 0.193 0.000 2.787 26 S HA 0.010 4.480 4.470 0.000 0.000 0.255 26 S C -0.773 174.068 174.600 0.403 0.000 1.051 26 S CA -0.486 57.866 58.200 0.254 0.000 1.124 26 S CB 0.005 63.305 63.200 0.166 0.000 1.104 26 S HN 0.522 nan 8.310 nan 0.000 0.623 27 Y N 3.749 124.177 120.300 0.214 0.000 2.584 27 Y HA 0.280 4.830 4.550 0.000 0.000 0.351 27 Y C 0.353 176.341 175.900 0.147 0.000 1.030 27 Y CA -1.010 57.211 58.100 0.200 0.000 1.332 27 Y CB -0.367 38.199 38.460 0.175 0.000 1.148 27 Y HN 0.243 nan 8.280 nan 0.000 0.528 28 H N 4.296 123.184 119.070 -0.304 0.000 3.160 28 H HA 0.041 4.597 4.556 0.000 0.000 0.257 28 H C 1.451 176.474 175.328 -0.509 0.000 1.140 28 H CA 0.615 56.393 56.048 -0.449 0.000 1.492 28 H CB 0.766 30.272 29.762 -0.426 0.000 1.529 28 H HN 0.861 nan 8.280 nan 0.000 0.490 29 T N 3.559 117.936 114.554 -0.295 0.000 3.025 29 T HA -0.096 4.254 4.350 0.000 0.000 0.270 29 T C 1.756 176.426 174.700 -0.051 0.000 1.126 29 T CA 1.133 63.148 62.100 -0.143 0.000 1.105 29 T CB -0.103 68.749 68.868 -0.026 0.000 0.884 29 T HN 0.520 nan 8.240 nan 0.000 0.522 30 K N 0.698 121.158 120.400 0.100 0.000 2.128 30 K HA 0.138 4.458 4.320 0.000 0.000 0.202 30 K C 2.119 178.726 176.600 0.012 0.000 1.050 30 K CA 0.845 57.197 56.287 0.110 0.000 0.966 30 K CB -0.014 32.610 32.500 0.207 0.000 0.759 30 K HN 0.381 nan 8.250 nan 0.000 0.454 31 K N 0.680 121.056 120.400 -0.039 0.000 2.356 31 K HA 0.065 4.385 4.320 0.000 0.000 0.195 31 K C -0.129 176.350 176.600 -0.200 0.000 1.037 31 K CA -0.056 56.105 56.287 -0.210 0.000 1.014 31 K CB 0.327 32.592 32.500 -0.392 0.000 0.815 31 K HN -0.156 nan 8.250 nan 0.000 0.507 32 K N 0.494 120.712 120.400 -0.303 0.000 3.125 32 K HA -0.128 4.192 4.320 0.000 0.000 0.268 32 K C -1.118 175.271 176.600 -0.351 0.000 1.078 32 K CA 0.412 56.452 56.287 -0.411 0.000 0.775 32 K CB -2.281 30.165 32.500 -0.089 0.000 1.253 32 K HN 0.062 nan 8.250 nan 0.000 0.486 33 V N 0.052 119.716 119.914 -0.416 0.000 2.733 33 V HA 0.220 4.340 4.120 0.000 0.000 0.306 33 V C 0.010 176.116 176.094 0.020 0.000 1.084 33 V CA -1.188 61.049 62.300 -0.105 0.000 0.905 33 V CB 2.428 34.211 31.823 -0.067 0.000 1.010 33 V HN 0.447 nan 8.190 nan 0.000 0.424 34 C N 4.168 123.635 119.300 0.280 0.000 2.394 34 C HA 0.399 4.859 4.460 0.000 0.000 0.362 34 C C 1.942 177.081 174.990 0.248 0.000 1.268 34 C CA 0.343 59.575 59.018 0.356 0.000 1.828 34 C CB 0.367 28.386 27.740 0.465 0.000 2.442 34 C HN 1.108 nan 8.230 nan 0.000 0.549 35 S N 3.304 119.151 115.700 0.245 0.000 2.522 35 S HA -0.078 4.392 4.470 0.000 0.000 0.227 35 S C 1.609 176.313 174.600 0.173 0.000 0.986 35 S CA 1.260 59.581 58.200 0.202 0.000 0.929 35 S CB -0.084 63.239 63.200 0.205 0.000 0.769 35 S HN 0.842 nan 8.310 nan 0.000 0.529 36 S N 0.614 116.414 115.700 0.167 0.000 2.444 36 S HA 0.008 4.478 4.470 0.000 0.000 0.223 36 S C 1.935 176.605 174.600 0.117 0.000 1.054 36 S CA 0.702 58.979 58.200 0.128 0.000 0.947 36 S CB -0.455 62.807 63.200 0.103 0.000 0.850 36 S HN 0.876 nan 8.310 nan 0.000 0.527 37 C N 0.099 119.479 119.300 0.133 0.000 3.070 37 C HA 0.697 5.157 4.460 0.000 0.000 0.280 37 C C 1.849 176.921 174.990 0.136 0.000 1.264 37 C CA 0.346 59.428 59.018 0.106 0.000 1.690 37 C CB -0.450 27.340 27.740 0.083 0.000 2.049 37 C HN 0.836 nan 8.230 nan 0.000 0.636 38 G N 0.402 109.312 108.800 0.183 0.000 2.176 38 G HA2 -0.270 3.690 3.960 0.000 0.000 0.253 38 G HA3 -0.270 3.690 3.960 0.000 0.000 0.253 38 G C -0.129 174.905 174.900 0.224 0.000 0.979 38 G CA 0.226 45.430 45.100 0.173 0.000 0.641 38 G HN 0.788 nan 8.290 nan 0.000 0.530 39 F N 1.814 121.834 119.950 0.116 0.000 2.612 39 F HA 0.387 4.914 4.527 0.000 0.000 0.389 39 F C 1.565 177.480 175.800 0.192 0.000 1.055 39 F CA 1.567 59.642 58.000 0.125 0.000 1.232 39 F CB 0.516 39.580 39.000 0.108 0.000 1.044 39 F HN 1.190 nan 8.300 nan 0.000 0.560 40 G N 4.502 113.081 108.800 -0.368 0.000 2.232 40 G HA2 -0.327 3.633 3.960 0.000 0.000 0.226 40 G HA3 -0.327 3.633 3.960 0.000 0.000 0.226 40 G C 1.065 175.899 174.900 -0.110 0.000 0.996 40 G CA 0.438 45.355 45.100 -0.305 0.000 0.626 40 G HN 0.786 nan 8.290 nan 0.000 0.509 41 K N -0.146 120.238 120.400 -0.027 0.000 2.362 41 K HA 0.449 4.769 4.320 0.000 0.000 0.203 41 K C 0.745 177.356 176.600 0.020 0.000 1.198 41 K CA 1.023 57.312 56.287 0.003 0.000 0.908 41 K CB 0.533 33.055 32.500 0.036 0.000 1.236 41 K HN 0.444 nan 8.250 nan 0.000 0.487 42 S N -0.686 115.042 115.700 0.046 0.000 2.521 42 S HA 0.571 5.041 4.470 0.000 0.000 0.295 42 S C 0.294 174.935 174.600 0.069 0.000 1.098 42 S CA -0.311 57.917 58.200 0.048 0.000 0.999 42 S CB 1.823 65.049 63.200 0.043 0.000 1.034 42 S HN 0.318 nan 8.310 nan 0.000 0.483 43 A N 4.757 127.608 122.820 0.051 0.000 1.897 43 A HA 0.172 4.492 4.320 0.000 0.000 0.215 43 A C 0.969 178.584 177.584 0.051 0.000 1.181 43 A CA 0.941 53.016 52.037 0.063 0.000 0.620 43 A CB -0.412 18.613 19.000 0.041 0.000 0.821 43 A HN 0.782 nan 8.150 nan 0.000 0.443 44 K N 0.419 120.834 120.400 0.025 0.000 2.219 44 K HA 0.219 4.539 4.320 0.000 0.000 0.258 44 K C -0.165 176.435 176.600 0.001 0.000 1.008 44 K CA -0.455 55.833 56.287 0.001 0.000 0.928 44 K CB 0.381 32.868 32.500 -0.022 0.000 0.983 44 K HN 0.165 nan 8.250 nan 0.000 0.484 45 R N 2.273 122.760 120.500 -0.023 0.000 2.438 45 R HA 0.077 4.417 4.340 0.000 0.000 0.287 45 R C 0.185 176.436 176.300 -0.081 0.000 1.077 45 R CA -0.215 55.868 56.100 -0.029 0.000 1.034 45 R CB 0.691 30.967 30.300 -0.039 0.000 0.993 45 R HN 0.583 nan 8.270 nan 0.000 0.459 46 R N 1.874 122.337 120.500 -0.062 0.000 2.522 46 R HA -0.044 4.296 4.340 0.000 0.000 0.284 46 R C -0.864 175.287 176.300 -0.248 0.000 1.032 46 R CA 0.682 56.700 56.100 -0.138 0.000 1.049 46 R CB 0.278 30.584 30.300 0.010 0.000 0.956 46 R HN 0.658 nan 8.270 nan 0.000 0.422 47 D N 2.751 122.818 120.400 -0.554 0.000 2.745 47 D HA 0.250 4.890 4.640 0.000 0.000 0.221 47 D C -1.976 173.769 176.300 -0.925 0.000 1.237 47 D CA -0.380 53.302 54.000 -0.530 0.000 0.781 47 D CB 0.663 41.275 40.800 -0.313 0.000 1.575 47 D HN 0.415 nan 8.370 nan 0.000 0.482 48 Y N 1.033 121.049 120.300 -0.474 0.000 2.553 48 Y HA 0.316 4.866 4.550 0.000 0.000 0.347 48 Y C 1.026 176.575 175.900 -0.586 0.000 1.019 48 Y CA -0.866 56.834 58.100 -0.667 0.000 1.032 48 Y CB 2.044 39.640 38.460 -1.440 0.000 1.284 48 Y HN 0.266 nan 8.280 nan 0.000 0.466 49 E N 1.685 121.761 120.200 -0.205 0.000 2.268 49 E HA -0.130 4.220 4.350 0.000 0.000 0.195 49 E C 1.553 178.151 176.600 -0.003 0.000 0.995 49 E CA 0.987 57.340 56.400 -0.077 0.000 0.836 49 E CB -0.062 29.651 29.700 0.021 0.000 0.763 49 E HN 0.845 nan 8.360 nan 0.000 0.491 50 W N 0.656 122.019 121.300 0.105 0.000 3.077 50 W HA 0.056 4.716 4.660 0.000 0.000 0.245 50 W C 0.783 177.337 176.519 0.058 0.000 1.316 50 W CA -0.060 57.321 57.345 0.060 0.000 1.537 50 W CB -0.523 28.953 29.460 0.027 0.000 1.131 50 W HN 0.047 nan 8.180 nan 0.000 0.695 51 Q N 1.650 121.415 119.800 -0.059 0.000 2.472 51 Q HA -0.031 4.309 4.340 0.000 0.000 0.208 51 Q C 0.924 176.960 176.000 0.059 0.000 0.958 51 Q CA 0.946 56.747 55.803 -0.004 0.000 0.932 51 Q CB 0.170 28.795 28.738 -0.188 0.000 1.007 51 Q HN 0.236 nan 8.270 nan 0.000 0.508 52 S N -1.293 114.446 115.700 0.064 0.000 2.651 52 S HA 0.442 4.912 4.470 0.000 0.000 0.279 52 S C -0.764 173.881 174.600 0.075 0.000 1.148 52 S CA -1.207 57.026 58.200 0.055 0.000 0.837 52 S CB 1.818 65.029 63.200 0.019 0.000 1.138 52 S HN -0.191 nan 8.310 nan 0.000 0.478 53 K N 0.748 121.183 120.400 0.058 0.000 2.414 53 K HA 0.334 4.654 4.320 0.000 0.000 0.272 53 K C 1.659 178.291 176.600 0.053 0.000 0.993 53 K CA 0.479 56.800 56.287 0.057 0.000 0.964 53 K CB 0.522 33.046 32.500 0.041 0.000 0.925 53 K HN 0.820 nan 8.250 nan 0.000 0.487 54 A N 2.731 125.585 122.820 0.056 0.000 1.927 54 A HA -0.161 4.159 4.320 0.000 0.000 0.220 54 A C 1.590 179.195 177.584 0.035 0.000 1.185 54 A CA 2.272 54.339 52.037 0.051 0.000 0.639 54 A CB -0.647 18.382 19.000 0.048 0.000 0.820 54 A HN 0.747 nan 8.150 nan 0.000 0.451 55 G N -0.984 107.833 108.800 0.028 0.000 3.678 55 G HA2 0.444 4.404 3.960 0.000 0.000 0.287 55 G HA3 0.444 4.404 3.960 0.000 0.000 0.287 55 G C 0.006 174.916 174.900 0.017 0.000 1.280 55 G CA 0.534 45.647 45.100 0.020 0.000 1.118 55 G HN 0.636 nan 8.290 nan 0.000 0.563 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 56.407 56.400 0.012 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