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 1yit_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 0.586 109.387 108.800 0.001 0.000 2.441 2 G HA2 0.472 4.432 3.960 0.000 0.000 0.243 2 G HA3 0.472 4.432 3.960 0.000 0.000 0.243 2 G C 1.017 175.917 174.900 0.001 0.000 1.281 2 G CA -0.018 45.082 45.100 0.001 0.000 0.854 2 G HN 1.032 nan 8.290 nan 0.000 0.560 3 A N 2.079 124.900 122.820 0.001 0.000 2.206 3 A HA 0.362 4.682 4.320 0.000 0.000 0.211 3 A C 1.810 179.396 177.584 0.002 0.000 1.158 3 A CA 1.261 53.299 52.037 0.002 0.000 0.761 3 A CB -0.274 18.727 19.000 0.001 0.000 0.801 3 A HN 0.893 nan 8.150 nan 0.000 0.473 4 G N -0.905 107.896 108.800 0.002 0.000 3.152 4 G HA2 0.213 4.173 3.960 0.000 0.000 0.157 4 G HA3 0.213 4.173 3.960 0.000 0.000 0.157 4 G C 1.210 176.112 174.900 0.003 0.000 1.786 4 G CA 0.887 45.989 45.100 0.002 0.000 1.055 4 G HN 0.212 nan 8.290 nan 0.000 0.528 5 T N 2.652 117.207 114.554 0.003 0.000 2.649 5 T HA -0.130 4.220 4.350 0.000 0.000 0.268 5 T C 0.059 174.761 174.700 0.003 0.000 1.036 5 T CA 2.080 64.182 62.100 0.003 0.000 1.157 5 T CB -1.119 67.750 68.868 0.003 0.000 0.861 5 T HN 0.373 nan 8.240 nan 0.000 0.445 6 P HA 0.041 nan 4.420 nan 0.000 0.220 6 P C 1.160 178.461 177.300 0.003 0.000 1.148 6 P CA 1.020 64.121 63.100 0.002 0.000 0.803 6 P CB -0.086 31.615 31.700 0.002 0.000 0.782 7 S N -0.517 115.185 115.700 0.003 0.000 2.593 7 S HA 0.030 4.500 4.470 0.000 0.000 0.217 7 S C 1.733 176.336 174.600 0.005 0.000 0.966 7 S CA 0.260 58.462 58.200 0.004 0.000 0.914 7 S CB -0.289 62.913 63.200 0.004 0.000 0.776 7 S HN 0.130 nan 8.310 nan 0.000 0.523 8 Q N 0.954 120.757 119.800 0.005 0.000 2.245 8 Q HA 0.128 4.468 4.340 0.000 0.000 0.201 8 Q C 2.267 178.270 176.000 0.005 0.000 0.955 8 Q CA 0.955 56.762 55.803 0.006 0.000 0.870 8 Q CB -1.028 27.713 28.738 0.005 0.000 0.945 8 Q HN 0.565 nan 8.270 nan 0.000 0.461 9 G N 1.345 110.147 108.800 0.004 0.000 2.462 9 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 9 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 9 G C 1.295 176.197 174.900 0.003 0.000 1.121 9 G CA 0.541 45.644 45.100 0.004 0.000 0.758 9 G HN 0.324 nan 8.290 nan 0.000 0.559 10 K N 0.204 120.607 120.400 0.004 0.000 2.444 10 K HA 0.090 4.410 4.320 0.000 0.000 0.193 10 K C 0.504 177.105 176.600 0.003 0.000 1.024 10 K CA 0.064 56.353 56.287 0.003 0.000 1.077 10 K CB 0.281 32.783 32.500 0.003 0.000 0.833 10 K HN 0.153 nan 8.250 nan 0.000 0.517 11 K N 2.981 123.383 120.400 0.004 0.000 2.121 11 K HA 0.014 4.334 4.320 0.000 0.000 0.235 11 K C 0.169 176.771 176.600 0.003 0.000 1.200 11 K CA -0.015 56.275 56.287 0.005 0.000 1.115 11 K CB -0.152 32.352 32.500 0.008 0.000 1.474 11 K HN 0.186 nan 8.250 nan 0.000 0.295 12 N N 0.082 118.782 118.700 0.000 0.000 2.305 12 N HA -0.002 4.738 4.740 0.000 0.000 0.248 12 N C -0.660 174.846 175.510 -0.006 0.000 1.290 12 N CA -0.408 52.641 53.050 -0.002 0.000 0.873 12 N CB 0.656 39.142 38.487 -0.000 0.000 1.261 12 N HN -0.062 nan 8.380 nan 0.000 0.504 13 T N 0.281 114.829 114.554 -0.010 0.000 2.907 13 T HA 0.400 4.750 4.350 0.000 0.000 0.284 13 T C -0.303 174.374 174.700 -0.037 0.000 1.004 13 T CA 0.091 62.179 62.100 -0.021 0.000 1.063 13 T CB 1.591 70.447 68.868 -0.021 0.000 0.992 13 T HN 0.015 nan 8.240 nan 0.000 0.483 14 T N 2.108 116.629 114.554 -0.054 0.000 2.771 14 T HA 0.517 4.867 4.350 0.000 0.000 0.281 14 T C 1.027 175.627 174.700 -0.167 0.000 0.982 14 T CA -0.635 61.418 62.100 -0.077 0.000 0.978 14 T CB 1.232 70.072 68.868 -0.048 0.000 0.930 14 T HN 0.861 nan 8.240 nan 0.000 0.447 15 T N -0.483 113.911 114.554 -0.267 0.000 3.426 15 T HA 0.200 4.550 4.350 0.000 0.000 0.195 15 T C 0.375 174.706 174.700 -0.616 0.000 0.963 15 T CA -0.300 61.407 62.100 -0.655 0.000 1.154 15 T CB -0.217 68.093 68.868 -0.930 0.000 1.377 15 T HN 0.538 nan 8.240 nan 0.000 0.342 16 H N 3.525 122.429 119.070 -0.277 0.000 2.848 16 H HA 0.492 5.048 4.556 0.000 0.000 0.317 16 H C 0.342 175.660 175.328 -0.016 0.000 1.046 16 H CA 0.781 56.765 56.048 -0.106 0.000 1.470 16 H CB 0.424 30.166 29.762 -0.034 0.000 1.483 16 H HN 0.719 nan 8.280 nan 0.000 0.548 17 T N -0.182 114.470 114.554 0.164 0.000 2.887 17 T HA 0.329 4.679 4.350 0.000 0.000 0.292 17 T C 0.020 174.838 174.700 0.196 0.000 1.087 17 T CA -1.363 60.832 62.100 0.158 0.000 1.009 17 T CB 2.254 71.212 68.868 0.150 0.000 1.203 17 T HN 0.298 nan 8.240 nan 0.000 0.518 18 K N 0.307 120.783 120.400 0.126 0.000 2.530 18 K HA 0.167 4.487 4.320 0.000 0.000 0.280 18 K C -0.242 176.412 176.600 0.090 0.000 1.004 18 K CA -0.209 56.130 56.287 0.088 0.000 1.071 18 K CB -0.272 32.254 32.500 0.043 0.000 0.876 18 K HN 0.790 nan 8.250 nan 0.000 0.487 19 C N 6.623 125.959 119.300 0.060 0.000 2.325 19 C HA 0.320 4.780 4.460 0.000 0.000 0.347 19 C C 1.785 176.674 174.990 -0.169 0.000 1.263 19 C CA -0.674 58.331 59.018 -0.021 0.000 1.806 19 C CB -0.122 27.663 27.740 0.074 0.000 2.405 19 C HN 1.115 nan 8.230 nan 0.000 0.537 20 R N 3.109 123.432 120.500 -0.296 0.000 2.154 20 R HA -0.151 4.189 4.340 0.000 0.000 0.248 20 R C 2.283 178.318 176.300 -0.441 0.000 1.155 20 R CA 1.884 57.790 56.100 -0.323 0.000 0.979 20 R CB -0.223 29.886 30.300 -0.318 0.000 0.869 20 R HN 0.863 nan 8.270 nan 0.000 0.452 21 R N -0.191 119.922 120.500 -0.643 0.000 2.074 21 R HA -0.061 4.279 4.340 0.000 0.000 0.218 21 R C 2.276 178.405 176.300 -0.285 0.000 1.137 21 R CA 1.476 57.209 56.100 -0.612 0.000 0.998 21 R CB -0.164 29.564 30.300 -0.954 0.000 0.895 21 R HN 0.458 nan 8.270 nan 0.000 0.442 22 C N -1.522 117.673 119.300 -0.176 0.000 2.926 22 C HA 0.518 4.978 4.460 0.000 0.000 0.272 22 C C 1.504 176.461 174.990 -0.056 0.000 1.249 22 C CA 0.135 59.103 59.018 -0.083 0.000 1.691 22 C CB 0.101 27.826 27.740 -0.024 0.000 1.983 22 C HN 0.717 nan 8.230 nan 0.000 0.615 23 G N 0.718 109.480 108.800 -0.062 0.000 2.205 23 G HA2 -0.188 3.772 3.960 0.000 0.000 0.261 23 G HA3 -0.188 3.772 3.960 0.000 0.000 0.261 23 G C -0.181 174.718 174.900 -0.001 0.000 0.980 23 G CA 0.589 45.668 45.100 -0.036 0.000 0.632 23 G HN 0.633 nan 8.290 nan 0.000 0.533 24 E N 0.332 120.544 120.200 0.019 0.000 2.343 24 E HA 0.274 4.624 4.350 0.000 0.000 0.269 24 E C 0.606 177.249 176.600 0.073 0.000 1.047 24 E CA -0.523 55.901 56.400 0.041 0.000 0.874 24 E CB 1.004 30.732 29.700 0.047 0.000 1.033 24 E HN 0.391 nan 8.360 nan 0.000 0.409 25 K N 1.496 121.936 120.400 0.068 0.000 2.737 25 K HA 0.114 4.434 4.320 0.000 0.000 0.251 25 K C -0.371 176.306 176.600 0.128 0.000 1.280 25 K CA 0.146 56.491 56.287 0.097 0.000 1.219 25 K CB -0.269 32.272 32.500 0.069 0.000 1.587 25 K HN 0.147 nan 8.250 nan 0.000 0.279 26 S N 1.248 117.060 115.700 0.187 0.000 2.846 26 S HA 0.031 4.501 4.470 0.000 0.000 0.249 26 S C -0.980 173.878 174.600 0.431 0.000 1.028 26 S CA -0.501 57.841 58.200 0.237 0.000 1.043 26 S CB -0.031 63.252 63.200 0.139 0.000 0.990 26 S HN 0.485 nan 8.310 nan 0.000 0.564 27 Y N 3.350 123.792 120.300 0.237 0.000 2.504 27 Y HA 0.335 4.885 4.550 0.000 0.000 0.351 27 Y C 0.289 176.281 175.900 0.153 0.000 0.988 27 Y CA -1.337 56.891 58.100 0.214 0.000 1.239 27 Y CB -0.324 38.242 38.460 0.178 0.000 1.128 27 Y HN 0.258 nan 8.280 nan 0.000 0.525 28 H N 3.996 122.888 119.070 -0.296 0.000 3.160 28 H HA 0.035 4.591 4.556 0.000 0.000 0.257 28 H C 1.464 176.462 175.328 -0.550 0.000 1.140 28 H CA 0.726 56.497 56.048 -0.462 0.000 1.492 28 H CB 0.786 30.299 29.762 -0.414 0.000 1.529 28 H HN 0.842 nan 8.280 nan 0.000 0.490 29 T N 3.050 117.404 114.554 -0.332 0.000 3.077 29 T HA -0.089 4.261 4.350 0.000 0.000 0.269 29 T C 1.557 176.207 174.700 -0.082 0.000 1.146 29 T CA 1.393 63.381 62.100 -0.186 0.000 1.091 29 T CB -0.001 68.832 68.868 -0.057 0.000 0.892 29 T HN 0.624 nan 8.240 nan 0.000 0.533 30 K N -0.373 120.063 120.400 0.059 0.000 2.276 30 K HA 0.191 4.511 4.320 0.000 0.000 0.198 30 K C 2.157 178.761 176.600 0.005 0.000 1.052 30 K CA 0.448 56.786 56.287 0.085 0.000 0.984 30 K CB 0.311 32.904 32.500 0.156 0.000 0.836 30 K HN 0.216 nan 8.250 nan 0.000 0.490 31 K N 0.402 120.781 120.400 -0.034 0.000 2.352 31 K HA 0.094 4.414 4.320 0.000 0.000 0.194 31 K C -0.197 176.284 176.600 -0.198 0.000 1.038 31 K CA 0.074 56.237 56.287 -0.206 0.000 1.023 31 K CB 0.559 32.820 32.500 -0.399 0.000 0.840 31 K HN -0.168 nan 8.250 nan 0.000 0.519 32 K N 0.620 120.833 120.400 -0.311 0.000 3.096 32 K HA -0.135 4.185 4.320 0.000 0.000 0.266 32 K C -1.052 175.382 176.600 -0.276 0.000 1.043 32 K CA 0.428 56.476 56.287 -0.399 0.000 0.758 32 K CB -2.247 30.204 32.500 -0.082 0.000 1.260 32 K HN 0.049 nan 8.250 nan 0.000 0.481 33 V N 0.078 119.787 119.914 -0.340 0.000 2.733 33 V HA 0.189 4.309 4.120 0.000 0.000 0.306 33 V C -0.022 176.134 176.094 0.104 0.000 1.084 33 V CA -1.196 61.083 62.300 -0.035 0.000 0.905 33 V CB 2.422 34.222 31.823 -0.038 0.000 1.010 33 V HN 0.455 nan 8.190 nan 0.000 0.424 34 C N 4.276 123.783 119.300 0.345 0.000 2.394 34 C HA 0.358 4.819 4.460 0.000 0.000 0.362 34 C C 2.030 177.180 174.990 0.268 0.000 1.268 34 C CA 0.371 59.630 59.018 0.401 0.000 1.828 34 C CB 0.246 28.266 27.740 0.468 0.000 2.442 34 C HN 1.124 nan 8.230 nan 0.000 0.549 35 S N 3.493 119.350 115.700 0.262 0.000 2.481 35 S HA -0.101 4.369 4.470 0.000 0.000 0.231 35 S C 1.721 176.425 174.600 0.172 0.000 0.996 35 S CA 1.461 59.785 58.200 0.206 0.000 0.942 35 S CB -0.154 63.159 63.200 0.189 0.000 0.768 35 S HN 0.850 nan 8.310 nan 0.000 0.520 36 S N 0.746 116.545 115.700 0.165 0.000 2.384 36 S HA -0.019 4.451 4.470 0.000 0.000 0.217 36 S C 2.023 176.695 174.600 0.119 0.000 1.041 36 S CA 0.794 59.070 58.200 0.126 0.000 0.948 36 S CB -0.625 62.634 63.200 0.098 0.000 0.872 36 S HN 0.891 nan 8.310 nan 0.000 0.512 37 C N 0.452 119.831 119.300 0.132 0.000 2.906 37 C HA 0.684 5.144 4.460 0.000 0.000 0.274 37 C C 1.829 176.903 174.990 0.140 0.000 1.257 37 C CA 0.165 59.247 59.018 0.106 0.000 1.695 37 C CB -0.660 27.132 27.740 0.087 0.000 1.958 37 C HN 0.874 nan 8.230 nan 0.000 0.619 38 G N 0.421 109.332 108.800 0.185 0.000 2.162 38 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 38 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 38 G C -0.128 174.899 174.900 0.211 0.000 0.976 38 G CA 0.265 45.469 45.100 0.174 0.000 0.655 38 G HN 0.820 nan 8.290 nan 0.000 0.533 39 F N 1.466 121.482 119.950 0.111 0.000 2.629 39 F HA 0.388 4.915 4.527 0.000 0.000 0.377 39 F C 1.571 177.476 175.800 0.176 0.000 1.101 39 F CA 1.406 59.470 58.000 0.108 0.000 1.301 39 F CB 0.562 39.607 39.000 0.074 0.000 1.062 39 F HN 1.188 nan 8.300 nan 0.000 0.583 40 G N 4.462 112.920 108.800 -0.570 0.000 2.241 40 G HA2 -0.350 3.610 3.960 0.000 0.000 0.244 40 G HA3 -0.350 3.610 3.960 0.000 0.000 0.244 40 G C 1.105 175.914 174.900 -0.151 0.000 0.998 40 G CA 0.525 45.365 45.100 -0.434 0.000 0.621 40 G HN 0.801 nan 8.290 nan 0.000 0.519 41 K N -0.226 120.142 120.400 -0.054 0.000 2.380 41 K HA 0.429 4.749 4.320 0.000 0.000 0.200 41 K C 0.693 177.299 176.600 0.010 0.000 1.201 41 K CA 1.031 57.313 56.287 -0.008 0.000 0.916 41 K CB 0.535 33.054 32.500 0.031 0.000 1.187 41 K HN 0.464 nan 8.250 nan 0.000 0.498 42 S N -0.793 114.928 115.700 0.035 0.000 2.536 42 S HA 0.574 5.044 4.470 0.000 0.000 0.287 42 S C 0.232 174.870 174.600 0.063 0.000 1.101 42 S CA -0.276 57.949 58.200 0.042 0.000 0.950 42 S CB 1.856 65.080 63.200 0.040 0.000 1.056 42 S HN 0.285 nan 8.310 nan 0.000 0.481 43 A N 4.401 127.250 122.820 0.048 0.000 1.929 43 A HA 0.197 4.517 4.320 0.000 0.000 0.216 43 A C 0.889 178.504 177.584 0.051 0.000 1.176 43 A CA 0.908 52.982 52.037 0.062 0.000 0.628 43 A CB -0.365 18.659 19.000 0.040 0.000 0.816 43 A HN 0.771 nan 8.150 nan 0.000 0.444 44 K N 0.626 121.041 120.400 0.024 0.000 2.202 44 K HA 0.252 4.572 4.320 0.000 0.000 0.264 44 K C -0.206 176.394 176.600 0.000 0.000 1.010 44 K CA -0.564 55.723 56.287 0.001 0.000 0.940 44 K CB 0.479 32.965 32.500 -0.022 0.000 0.983 44 K HN 0.157 nan 8.250 nan 0.000 0.475 45 R N 2.337 122.824 120.500 -0.020 0.000 2.491 45 R HA 0.045 4.385 4.340 0.000 0.000 0.283 45 R C 0.225 176.476 176.300 -0.081 0.000 1.072 45 R CA -0.103 55.981 56.100 -0.027 0.000 1.048 45 R CB 0.501 30.778 30.300 -0.038 0.000 0.983 45 R HN 0.588 nan 8.270 nan 0.000 0.450 46 R N 2.068 122.531 120.500 -0.062 0.000 2.484 46 R HA -0.051 4.289 4.340 0.000 0.000 0.293 46 R C -0.896 175.253 176.300 -0.251 0.000 1.023 46 R CA 0.574 56.588 56.100 -0.143 0.000 1.037 46 R CB 0.228 30.535 30.300 0.012 0.000 0.951 46 R HN 0.567 nan 8.270 nan 0.000 0.418 47 D N 3.443 123.521 120.400 -0.536 0.000 2.878 47 D HA 0.239 4.879 4.640 0.000 0.000 0.211 47 D C -1.909 173.880 176.300 -0.852 0.000 1.271 47 D CA -0.352 53.346 54.000 -0.504 0.000 0.845 47 D CB 0.678 41.299 40.800 -0.299 0.000 1.679 47 D HN 0.399 nan 8.370 nan 0.000 0.536 48 Y N 1.215 121.222 120.300 -0.488 0.000 2.536 48 Y HA 0.334 4.884 4.550 0.000 0.000 0.347 48 Y C 1.306 176.833 175.900 -0.621 0.000 1.000 48 Y CA -0.851 56.836 58.100 -0.688 0.000 1.051 48 Y CB 1.953 39.529 38.460 -1.473 0.000 1.259 48 Y HN 0.265 nan 8.280 nan 0.000 0.468 49 E N 1.640 121.699 120.200 -0.235 0.000 2.208 49 E HA -0.124 4.226 4.350 0.000 0.000 0.193 49 E C 1.525 178.112 176.600 -0.022 0.000 0.988 49 E CA 0.858 57.202 56.400 -0.092 0.000 0.828 49 E CB -0.083 29.631 29.700 0.024 0.000 0.763 49 E HN 0.825 nan 8.360 nan 0.000 0.478 50 W N 0.805 122.168 121.300 0.105 0.000 2.961 50 W HA 0.054 4.714 4.660 0.000 0.000 0.240 50 W C 0.644 177.198 176.519 0.059 0.000 1.305 50 W CA -0.048 57.334 57.345 0.063 0.000 1.465 50 W CB -0.613 28.868 29.460 0.035 0.000 1.135 50 W HN 0.055 nan 8.180 nan 0.000 0.688 51 Q N 1.660 121.428 119.800 -0.054 0.000 2.482 51 Q HA -0.006 4.334 4.340 0.000 0.000 0.209 51 Q C 0.699 176.727 176.000 0.047 0.000 0.961 51 Q CA 0.777 56.572 55.803 -0.014 0.000 0.945 51 Q CB 0.167 28.794 28.738 -0.184 0.000 1.012 51 Q HN 0.227 nan 8.270 nan 0.000 0.515 52 S N -1.207 114.530 115.700 0.062 0.000 2.596 52 S HA 0.421 4.891 4.470 0.000 0.000 0.270 52 S C -0.959 173.684 174.600 0.072 0.000 1.155 52 S CA -1.260 56.971 58.200 0.052 0.000 0.827 52 S CB 1.649 64.859 63.200 0.017 0.000 1.130 52 S HN -0.180 nan 8.310 nan 0.000 0.467 53 K N 1.090 121.524 120.400 0.056 0.000 2.448 53 K HA 0.321 4.641 4.320 0.000 0.000 0.278 53 K C 1.658 178.288 176.600 0.050 0.000 1.009 53 K CA 0.478 56.797 56.287 0.055 0.000 0.995 53 K CB 0.510 33.034 32.500 0.040 0.000 0.917 53 K HN 0.843 nan 8.250 nan 0.000 0.481 54 A N 3.359 126.214 122.820 0.057 0.000 1.954 54 A HA -0.190 4.130 4.320 0.000 0.000 0.222 54 A C 1.531 179.136 177.584 0.035 0.000 1.199 54 A CA 2.311 54.379 52.037 0.051 0.000 0.657 54 A CB -0.622 18.408 19.000 0.050 0.000 0.823 54 A HN 0.746 nan 8.150 nan 0.000 0.463 55 G N -0.973 107.844 108.800 0.029 0.000 3.782 55 G HA2 0.468 4.428 3.960 0.000 0.000 0.288 55 G HA3 0.468 4.428 3.960 0.000 0.000 0.288 55 G C -0.071 174.839 174.900 0.017 0.000 1.300 55 G CA 0.532 45.645 45.100 0.021 0.000 1.261 55 G HN 0.630 nan 8.290 nan 0.000 0.591 56 E N 0.000 120.210 120.200 0.017 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 0.014 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000