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 1k73_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 0.001 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 0.696 109.496 108.800 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 1.011 175.911 174.900 0.001 0.000 1.281 2 G CA -0.022 45.079 45.100 0.001 0.000 0.854 2 G HN 1.029 nan 8.290 nan 0.000 0.560 3 A N 1.935 124.755 122.820 0.001 0.000 2.208 3 A HA 0.387 4.707 4.320 0.000 0.000 0.209 3 A C 1.778 179.363 177.584 0.002 0.000 1.161 3 A CA 1.292 53.330 52.037 0.002 0.000 0.782 3 A CB -0.218 18.783 19.000 0.001 0.000 0.816 3 A HN 0.891 nan 8.150 nan 0.000 0.477 4 G N -1.022 107.779 108.800 0.002 0.000 3.372 4 G HA2 0.236 4.196 3.960 0.000 0.000 0.178 4 G HA3 0.236 4.196 3.960 0.000 0.000 0.178 4 G C 1.198 176.100 174.900 0.003 0.000 1.817 4 G CA 0.892 45.993 45.100 0.002 0.000 0.996 4 G HN 0.188 nan 8.290 nan 0.000 0.559 5 T N 2.734 117.290 114.554 0.002 0.000 2.620 5 T HA -0.131 4.219 4.350 0.000 0.000 0.267 5 T C 0.059 174.761 174.700 0.003 0.000 1.044 5 T CA 2.160 64.261 62.100 0.003 0.000 1.161 5 T CB -1.120 67.749 68.868 0.002 0.000 0.862 5 T HN 0.366 nan 8.240 nan 0.000 0.438 6 P HA 0.039 nan 4.420 nan 0.000 0.222 6 P C 1.156 178.457 177.300 0.003 0.000 1.147 6 P CA 1.025 64.126 63.100 0.002 0.000 0.790 6 P CB -0.072 31.629 31.700 0.002 0.000 0.780 7 S N -0.511 115.191 115.700 0.003 0.000 2.593 7 S HA 0.036 4.506 4.470 0.000 0.000 0.217 7 S C 1.651 176.254 174.600 0.005 0.000 0.966 7 S CA 0.256 58.458 58.200 0.004 0.000 0.914 7 S CB -0.300 62.902 63.200 0.004 0.000 0.776 7 S HN 0.132 nan 8.310 nan 0.000 0.523 8 Q N 0.590 120.393 119.800 0.005 0.000 2.432 8 Q HA 0.163 4.503 4.340 0.000 0.000 0.205 8 Q C 2.070 178.073 176.000 0.005 0.000 0.945 8 Q CA 0.543 56.349 55.803 0.005 0.000 0.924 8 Q CB -0.765 27.977 28.738 0.005 0.000 1.016 8 Q HN 0.561 nan 8.270 nan 0.000 0.503 9 G N 0.998 109.801 108.800 0.004 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 1.237 176.139 174.900 0.004 0.000 1.131 9 G CA 0.195 45.297 45.100 0.004 0.000 0.775 9 G HN 0.289 nan 8.290 nan 0.000 0.547 10 K N 0.293 120.695 120.400 0.004 0.000 2.458 10 K HA 0.104 4.424 4.320 0.000 0.000 0.194 10 K C 0.314 176.916 176.600 0.004 0.000 1.024 10 K CA 0.062 56.351 56.287 0.004 0.000 1.108 10 K CB 0.310 32.812 32.500 0.004 0.000 0.846 10 K HN 0.148 nan 8.250 nan 0.000 0.518 11 K N 2.744 123.147 120.400 0.005 0.000 2.187 11 K HA 0.043 4.363 4.320 0.000 0.000 0.242 11 K C 0.022 176.625 176.600 0.004 0.000 1.179 11 K CA -0.149 56.141 56.287 0.005 0.000 1.097 11 K CB -0.061 32.444 32.500 0.008 0.000 1.634 11 K HN 0.154 nan 8.250 nan 0.000 0.335 12 N N 0.016 118.716 118.700 0.001 0.000 2.433 12 N HA 0.011 4.751 4.740 0.000 0.000 0.270 12 N C -0.828 174.679 175.510 -0.004 0.000 1.354 12 N CA -0.466 52.584 53.050 0.000 0.000 0.889 12 N CB 0.721 39.208 38.487 0.001 0.000 1.285 12 N HN -0.085 nan 8.380 nan 0.000 0.503 13 T N 0.388 114.937 114.554 -0.008 0.000 2.795 13 T HA 0.360 4.710 4.350 0.000 0.000 0.282 13 T C -0.314 174.368 174.700 -0.031 0.000 0.980 13 T CA -0.045 62.045 62.100 -0.017 0.000 1.012 13 T CB 1.475 70.334 68.868 -0.016 0.000 0.936 13 T HN 0.049 nan 8.240 nan 0.000 0.457 14 T N 2.897 117.426 114.554 -0.042 0.000 2.771 14 T HA 0.430 4.780 4.350 0.000 0.000 0.291 14 T C 1.262 175.879 174.700 -0.139 0.000 0.954 14 T CA -0.517 61.546 62.100 -0.061 0.000 1.045 14 T CB 0.955 69.801 68.868 -0.035 0.000 0.917 14 T HN 0.857 nan 8.240 nan 0.000 0.484 15 T N -0.343 114.074 114.554 -0.227 0.000 3.447 15 T HA 0.164 4.514 4.350 0.000 0.000 0.218 15 T C 0.426 174.756 174.700 -0.615 0.000 0.972 15 T CA -0.295 61.461 62.100 -0.573 0.000 1.264 15 T CB -0.156 68.238 68.868 -0.790 0.000 1.284 15 T HN 0.541 nan 8.240 nan 0.000 0.361 16 H N 3.426 122.318 119.070 -0.297 0.000 2.767 16 H HA 0.504 5.060 4.556 0.000 0.000 0.316 16 H C 0.305 175.618 175.328 -0.025 0.000 1.059 16 H CA 0.726 56.697 56.048 -0.128 0.000 1.461 16 H CB 0.592 30.324 29.762 -0.051 0.000 1.475 16 H HN 0.709 nan 8.280 nan 0.000 0.531 17 T N -0.191 114.456 114.554 0.156 0.000 2.887 17 T HA 0.315 4.665 4.350 0.000 0.000 0.292 17 T C 0.026 174.843 174.700 0.196 0.000 1.087 17 T CA -1.362 60.833 62.100 0.158 0.000 1.009 17 T CB 2.210 71.170 68.868 0.153 0.000 1.203 17 T HN 0.312 nan 8.240 nan 0.000 0.518 18 K N 0.511 120.987 120.400 0.127 0.000 2.491 18 K HA 0.176 4.496 4.320 0.000 0.000 0.279 18 K C -0.102 176.552 176.600 0.089 0.000 1.026 18 K CA -0.288 56.053 56.287 0.089 0.000 1.070 18 K CB -0.429 32.097 32.500 0.044 0.000 0.887 18 K HN 0.781 nan 8.250 nan 0.000 0.481 19 C N 6.380 125.724 119.300 0.073 0.000 2.415 19 C HA 0.278 4.738 4.460 0.000 0.000 0.369 19 C C 1.850 176.745 174.990 -0.160 0.000 1.279 19 C CA -0.597 58.417 59.018 -0.006 0.000 1.886 19 C CB -0.115 27.677 27.740 0.086 0.000 2.468 19 C HN 1.127 nan 8.230 nan 0.000 0.553 20 R N 2.744 123.062 120.500 -0.304 0.000 2.103 20 R HA -0.151 4.189 4.340 0.000 0.000 0.242 20 R C 2.441 178.484 176.300 -0.428 0.000 1.142 20 R CA 2.025 57.922 56.100 -0.338 0.000 0.960 20 R CB -0.245 29.829 30.300 -0.376 0.000 0.858 20 R HN 0.853 nan 8.270 nan 0.000 0.439 21 R N -0.091 120.017 120.500 -0.654 0.000 2.062 21 R HA -0.099 4.241 4.340 0.000 0.000 0.226 21 R C 2.305 178.442 176.300 -0.272 0.000 1.125 21 R CA 1.745 57.490 56.100 -0.591 0.000 0.966 21 R CB -0.121 29.670 30.300 -0.849 0.000 0.861 21 R HN 0.511 nan 8.270 nan 0.000 0.433 22 C N -2.404 116.797 119.300 -0.165 0.000 3.065 22 C HA 0.518 4.978 4.460 0.000 0.000 0.285 22 C C 1.474 176.432 174.990 -0.052 0.000 1.257 22 C CA 0.212 59.183 59.018 -0.078 0.000 1.691 22 C CB 0.286 28.014 27.740 -0.020 0.000 2.089 22 C HN 0.674 nan 8.230 nan 0.000 0.630 23 G N 0.811 109.577 108.800 -0.056 0.000 2.176 23 G HA2 -0.166 3.794 3.960 0.000 0.000 0.253 23 G HA3 -0.166 3.794 3.960 0.000 0.000 0.253 23 G C -0.244 174.657 174.900 0.002 0.000 0.979 23 G CA 0.503 45.584 45.100 -0.032 0.000 0.641 23 G HN 0.635 nan 8.290 nan 0.000 0.530 24 E N 0.261 120.475 120.200 0.023 0.000 2.349 24 E HA 0.284 4.634 4.350 0.000 0.000 0.265 24 E C 0.508 177.154 176.600 0.076 0.000 1.064 24 E CA -0.597 55.830 56.400 0.044 0.000 0.886 24 E CB 1.027 30.758 29.700 0.052 0.000 1.036 24 E HN 0.355 nan 8.360 nan 0.000 0.413 25 K N 1.448 121.890 120.400 0.070 0.000 2.480 25 K HA 0.118 4.438 4.320 0.000 0.000 0.241 25 K C -0.314 176.362 176.600 0.127 0.000 1.261 25 K CA 0.162 56.507 56.287 0.096 0.000 1.193 25 K CB -0.259 32.280 32.500 0.066 0.000 1.598 25 K HN 0.173 nan 8.250 nan 0.000 0.278 26 S N 1.129 116.943 115.700 0.190 0.000 2.847 26 S HA 0.016 4.486 4.470 0.000 0.000 0.254 26 S C -0.839 174.005 174.600 0.407 0.000 1.039 26 S CA -0.496 57.850 58.200 0.244 0.000 1.113 26 S CB -0.004 63.289 63.200 0.155 0.000 1.092 26 S HN 0.505 nan 8.310 nan 0.000 0.620 27 Y N 3.630 124.060 120.300 0.217 0.000 2.486 27 Y HA 0.300 4.850 4.550 0.000 0.000 0.348 27 Y C 0.321 176.313 175.900 0.155 0.000 1.000 27 Y CA -1.064 57.159 58.100 0.205 0.000 1.253 27 Y CB -0.297 38.271 38.460 0.179 0.000 1.140 27 Y HN 0.246 nan 8.280 nan 0.000 0.526 28 H N 4.214 123.129 119.070 -0.259 0.000 3.089 28 H HA 0.057 4.613 4.556 0.000 0.000 0.262 28 H C 1.394 176.421 175.328 -0.502 0.000 1.160 28 H CA 0.596 56.391 56.048 -0.421 0.000 1.482 28 H CB 0.835 30.355 29.762 -0.403 0.000 1.511 28 H HN 0.857 nan 8.280 nan 0.000 0.483 29 T N 3.523 117.904 114.554 -0.288 0.000 3.051 29 T HA -0.075 4.275 4.350 0.000 0.000 0.269 29 T C 1.713 176.379 174.700 -0.058 0.000 1.127 29 T CA 1.037 63.043 62.100 -0.158 0.000 1.107 29 T CB -0.078 68.767 68.868 -0.039 0.000 0.898 29 T HN 0.531 nan 8.240 nan 0.000 0.517 30 K N 0.656 121.115 120.400 0.098 0.000 2.166 30 K HA 0.135 4.455 4.320 0.000 0.000 0.201 30 K C 2.070 178.672 176.600 0.002 0.000 1.052 30 K CA 0.779 57.126 56.287 0.100 0.000 0.969 30 K CB 0.041 32.655 32.500 0.189 0.000 0.761 30 K HN 0.376 nan 8.250 nan 0.000 0.459 31 K N 0.621 120.990 120.400 -0.051 0.000 2.356 31 K HA 0.068 4.388 4.320 0.000 0.000 0.195 31 K C -0.127 176.344 176.600 -0.216 0.000 1.037 31 K CA -0.081 56.068 56.287 -0.230 0.000 1.014 31 K CB 0.367 32.608 32.500 -0.433 0.000 0.815 31 K HN -0.161 nan 8.250 nan 0.000 0.507 32 K N 0.563 120.769 120.400 -0.323 0.000 3.096 32 K HA -0.134 4.186 4.320 0.000 0.000 0.266 32 K C -1.082 175.312 176.600 -0.344 0.000 1.043 32 K CA 0.435 56.455 56.287 -0.444 0.000 0.758 32 K CB -2.247 30.184 32.500 -0.115 0.000 1.260 32 K HN 0.060 nan 8.250 nan 0.000 0.481 33 V N -0.041 119.641 119.914 -0.386 0.000 2.777 33 V HA 0.206 4.326 4.120 0.000 0.000 0.306 33 V C -0.039 176.092 176.094 0.062 0.000 1.112 33 V CA -1.198 61.058 62.300 -0.074 0.000 0.917 33 V CB 2.449 34.236 31.823 -0.060 0.000 1.018 33 V HN 0.446 nan 8.190 nan 0.000 0.426 34 C N 4.058 123.542 119.300 0.305 0.000 2.415 34 C HA 0.412 4.872 4.460 0.000 0.000 0.369 34 C C 1.993 177.137 174.990 0.257 0.000 1.279 34 C CA 0.399 59.642 59.018 0.374 0.000 1.886 34 C CB 0.447 28.468 27.740 0.469 0.000 2.468 34 C HN 1.132 nan 8.230 nan 0.000 0.553 35 S N 3.345 119.199 115.700 0.257 0.000 2.489 35 S HA -0.086 4.384 4.470 0.000 0.000 0.228 35 S C 1.648 176.354 174.600 0.177 0.000 0.995 35 S CA 1.385 59.711 58.200 0.210 0.000 0.934 35 S CB -0.115 63.214 63.200 0.215 0.000 0.771 35 S HN 0.845 nan 8.310 nan 0.000 0.522 36 S N 0.459 116.261 115.700 0.170 0.000 2.452 36 S HA 0.018 4.488 4.470 0.000 0.000 0.225 36 S C 1.938 176.611 174.600 0.122 0.000 1.057 36 S CA 0.697 58.975 58.200 0.131 0.000 0.949 36 S CB -0.431 62.831 63.200 0.103 0.000 0.836 36 S HN 0.883 nan 8.310 nan 0.000 0.518 37 C N -0.162 119.222 119.300 0.141 0.000 3.070 37 C HA 0.709 5.169 4.460 0.000 0.000 0.280 37 C C 1.850 176.925 174.990 0.142 0.000 1.264 37 C CA 0.335 59.421 59.018 0.114 0.000 1.690 37 C CB -0.366 27.432 27.740 0.097 0.000 2.049 37 C HN 0.800 nan 8.230 nan 0.000 0.636 38 G N 0.413 109.326 108.800 0.188 0.000 2.176 38 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 38 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 38 G C -0.128 174.898 174.900 0.210 0.000 0.979 38 G CA 0.202 45.405 45.100 0.172 0.000 0.641 38 G HN 0.776 nan 8.290 nan 0.000 0.530 39 F N 1.886 121.902 119.950 0.111 0.000 2.604 39 F HA 0.373 4.900 4.527 0.000 0.000 0.393 39 F C 1.576 177.486 175.800 0.184 0.000 1.043 39 F CA 1.664 59.733 58.000 0.116 0.000 1.227 39 F CB 0.435 39.491 39.000 0.093 0.000 1.016 39 F HN 1.234 nan 8.300 nan 0.000 0.556 40 G N 4.454 112.951 108.800 -0.506 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 1.059 175.873 174.900 -0.143 0.000 0.996 40 G CA 0.442 45.315 45.100 -0.378 0.000 0.626 40 G HN 0.786 nan 8.290 nan 0.000 0.509 41 K N -0.166 120.201 120.400 -0.055 0.000 2.362 41 K HA 0.450 4.770 4.320 0.000 0.000 0.203 41 K C 0.785 177.389 176.600 0.008 0.000 1.198 41 K CA 1.022 57.302 56.287 -0.011 0.000 0.908 41 K CB 0.536 33.052 32.500 0.027 0.000 1.236 41 K HN 0.464 nan 8.250 nan 0.000 0.487 42 S N -0.821 114.899 115.700 0.034 0.000 2.526 42 S HA 0.577 5.047 4.470 0.000 0.000 0.293 42 S C 0.281 174.918 174.600 0.062 0.000 1.092 42 S CA -0.299 57.924 58.200 0.040 0.000 0.980 42 S CB 1.844 65.066 63.200 0.038 0.000 1.048 42 S HN 0.308 nan 8.310 nan 0.000 0.483 43 A N 4.391 127.239 122.820 0.047 0.000 1.929 43 A HA 0.213 4.533 4.320 0.000 0.000 0.216 43 A C 0.913 178.528 177.584 0.051 0.000 1.176 43 A CA 0.852 52.926 52.037 0.062 0.000 0.628 43 A CB -0.376 18.648 19.000 0.041 0.000 0.816 43 A HN 0.778 nan 8.150 nan 0.000 0.444 44 K N 0.597 121.011 120.400 0.025 0.000 2.258 44 K HA 0.246 4.566 4.320 0.000 0.000 0.264 44 K C -0.178 176.423 176.600 0.003 0.000 1.007 44 K CA -0.537 55.751 56.287 0.001 0.000 0.941 44 K CB 0.446 32.933 32.500 -0.021 0.000 0.966 44 K HN 0.161 nan 8.250 nan 0.000 0.480 45 R N 2.244 122.734 120.500 -0.018 0.000 2.491 45 R HA 0.061 4.401 4.340 0.000 0.000 0.283 45 R C 0.228 176.481 176.300 -0.078 0.000 1.072 45 R CA -0.129 55.956 56.100 -0.024 0.000 1.048 45 R CB 0.536 30.815 30.300 -0.036 0.000 0.983 45 R HN 0.585 nan 8.270 nan 0.000 0.450 46 R N 1.844 122.309 120.500 -0.057 0.000 2.449 46 R HA -0.024 4.316 4.340 0.000 0.000 0.296 46 R C -0.849 175.304 176.300 -0.244 0.000 1.047 46 R CA 0.568 56.590 56.100 -0.131 0.000 1.018 46 R CB 0.289 30.600 30.300 0.017 0.000 0.962 46 R HN 0.664 nan 8.270 nan 0.000 0.428 47 D N 2.848 122.920 120.400 -0.547 0.000 2.745 47 D HA 0.255 4.895 4.640 0.000 0.000 0.221 47 D C -1.965 173.776 176.300 -0.931 0.000 1.237 47 D CA -0.388 53.300 54.000 -0.521 0.000 0.781 47 D CB 0.692 41.307 40.800 -0.309 0.000 1.575 47 D HN 0.407 nan 8.370 nan 0.000 0.482 48 Y N 0.905 120.915 120.300 -0.483 0.000 2.553 48 Y HA 0.321 4.871 4.550 0.000 0.000 0.347 48 Y C 1.037 176.582 175.900 -0.592 0.000 1.019 48 Y CA -0.862 56.837 58.100 -0.669 0.000 1.032 48 Y CB 2.012 39.603 38.460 -1.448 0.000 1.284 48 Y HN 0.273 nan 8.280 nan 0.000 0.466 49 E N 1.558 121.630 120.200 -0.213 0.000 2.268 49 E HA -0.126 4.224 4.350 0.000 0.000 0.195 49 E C 1.495 178.091 176.600 -0.008 0.000 0.995 49 E CA 0.943 57.293 56.400 -0.083 0.000 0.836 49 E CB -0.059 29.652 29.700 0.019 0.000 0.763 49 E HN 0.840 nan 8.360 nan 0.000 0.491 50 W N 0.621 121.986 121.300 0.109 0.000 3.077 50 W HA 0.080 4.740 4.660 0.000 0.000 0.245 50 W C 0.757 177.312 176.519 0.059 0.000 1.316 50 W CA -0.108 57.275 57.345 0.063 0.000 1.537 50 W CB -0.483 28.996 29.460 0.032 0.000 1.131 50 W HN 0.041 nan 8.180 nan 0.000 0.695 51 Q N 1.634 121.415 119.800 -0.032 0.000 2.472 51 Q HA -0.023 4.317 4.340 0.000 0.000 0.208 51 Q C 0.900 176.937 176.000 0.063 0.000 0.958 51 Q CA 0.876 56.684 55.803 0.008 0.000 0.932 51 Q CB 0.237 28.864 28.738 -0.186 0.000 1.007 51 Q HN 0.223 nan 8.270 nan 0.000 0.508 52 S N -1.182 114.558 115.700 0.066 0.000 2.618 52 S HA 0.444 4.914 4.470 0.000 0.000 0.277 52 S C -0.746 173.899 174.600 0.076 0.000 1.138 52 S CA -1.203 57.032 58.200 0.057 0.000 0.844 52 S CB 1.836 65.048 63.200 0.021 0.000 1.127 52 S HN -0.192 nan 8.310 nan 0.000 0.474 53 K N 0.844 121.280 120.400 0.059 0.000 2.414 53 K HA 0.306 4.626 4.320 0.000 0.000 0.272 53 K C 1.660 178.292 176.600 0.053 0.000 0.993 53 K CA 0.495 56.816 56.287 0.057 0.000 0.964 53 K CB 0.430 32.955 32.500 0.041 0.000 0.925 53 K HN 0.829 nan 8.250 nan 0.000 0.487 54 A N 2.819 125.673 122.820 0.057 0.000 1.927 54 A HA -0.161 4.159 4.320 0.000 0.000 0.220 54 A C 1.579 179.184 177.584 0.036 0.000 1.185 54 A CA 2.262 54.330 52.037 0.052 0.000 0.639 54 A CB -0.616 18.413 19.000 0.049 0.000 0.820 54 A HN 0.740 nan 8.150 nan 0.000 0.451 55 G N -0.963 107.855 108.800 0.029 0.000 3.678 55 G HA2 0.449 4.409 3.960 0.000 0.000 0.287 55 G HA3 0.449 4.409 3.960 0.000 0.000 0.287 55 G C -0.011 174.899 174.900 0.017 0.000 1.280 55 G CA 0.525 45.638 45.100 0.021 0.000 1.118 55 G HN 0.631 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 56.408 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