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 1kc8_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 0.000 174.701 174.700 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 0.524 109.324 108.800 0.001 0.000 2.441 2 G HA2 0.483 4.443 3.960 0.000 0.000 0.243 2 G HA3 0.483 4.443 3.960 0.000 0.000 0.243 2 G C 0.954 175.855 174.900 0.001 0.000 1.281 2 G CA -0.032 45.069 45.100 0.001 0.000 0.854 2 G HN 1.028 nan 8.290 nan 0.000 0.560 3 A N 1.991 124.812 122.820 0.001 0.000 2.238 3 A HA 0.428 4.748 4.320 0.000 0.000 0.208 3 A C 1.693 179.278 177.584 0.002 0.000 1.177 3 A CA 1.133 53.171 52.037 0.002 0.000 0.804 3 A CB -0.182 18.819 19.000 0.001 0.000 0.823 3 A HN 0.886 nan 8.150 nan 0.000 0.482 4 G N -1.066 107.735 108.800 0.002 0.000 3.286 4 G HA2 0.258 4.218 3.960 0.000 0.000 0.173 4 G HA3 0.258 4.218 3.960 0.000 0.000 0.173 4 G C 1.168 176.069 174.900 0.002 0.000 1.704 4 G CA 0.865 45.966 45.100 0.002 0.000 1.041 4 G HN 0.170 nan 8.290 nan 0.000 0.561 5 T N 2.709 117.264 114.554 0.002 0.000 2.620 5 T HA -0.143 4.207 4.350 0.000 0.000 0.267 5 T C 0.077 174.779 174.700 0.003 0.000 1.044 5 T CA 2.238 64.340 62.100 0.002 0.000 1.161 5 T CB -1.134 67.735 68.868 0.002 0.000 0.862 5 T HN 0.388 nan 8.240 nan 0.000 0.438 6 P HA 0.032 nan 4.420 nan 0.000 0.221 6 P C 1.079 178.381 177.300 0.003 0.000 1.145 6 P CA 1.039 64.141 63.100 0.002 0.000 0.795 6 P CB -0.078 31.623 31.700 0.002 0.000 0.775 7 S N -0.459 115.243 115.700 0.003 0.000 2.593 7 S HA 0.049 4.519 4.470 0.000 0.000 0.217 7 S C 1.654 176.257 174.600 0.005 0.000 0.966 7 S CA 0.206 58.408 58.200 0.004 0.000 0.914 7 S CB -0.255 62.947 63.200 0.004 0.000 0.776 7 S HN 0.146 nan 8.310 nan 0.000 0.523 8 Q N 0.669 120.471 119.800 0.005 0.000 2.389 8 Q HA 0.168 4.508 4.340 0.000 0.000 0.204 8 Q C 2.128 178.131 176.000 0.005 0.000 0.944 8 Q CA 0.605 56.411 55.803 0.005 0.000 0.908 8 Q CB -0.770 27.971 28.738 0.005 0.000 1.002 8 Q HN 0.564 nan 8.270 nan 0.000 0.493 9 G N 1.195 109.998 108.800 0.004 0.000 2.448 9 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 9 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 9 G C 1.283 176.186 174.900 0.004 0.000 1.127 9 G CA 0.312 45.414 45.100 0.004 0.000 0.766 9 G HN 0.290 nan 8.290 nan 0.000 0.552 10 K N 0.240 120.642 120.400 0.005 0.000 2.444 10 K HA 0.102 4.422 4.320 0.000 0.000 0.193 10 K C 0.423 177.027 176.600 0.005 0.000 1.024 10 K CA 0.045 56.335 56.287 0.005 0.000 1.077 10 K CB 0.307 32.809 32.500 0.005 0.000 0.833 10 K HN 0.149 nan 8.250 nan 0.000 0.517 11 K N 2.789 123.193 120.400 0.006 0.000 2.278 11 K HA 0.035 4.355 4.320 0.000 0.000 0.237 11 K C 0.037 176.640 176.600 0.005 0.000 1.229 11 K CA -0.092 56.199 56.287 0.007 0.000 1.155 11 K CB -0.118 32.387 32.500 0.009 0.000 1.590 11 K HN 0.167 nan 8.250 nan 0.000 0.290 12 N N -0.058 118.644 118.700 0.003 0.000 2.433 12 N HA 0.012 4.752 4.740 0.000 0.000 0.270 12 N C -0.747 174.762 175.510 -0.001 0.000 1.354 12 N CA -0.445 52.607 53.050 0.002 0.000 0.889 12 N CB 0.701 39.189 38.487 0.003 0.000 1.285 12 N HN -0.100 nan 8.380 nan 0.000 0.503 13 T N 0.273 114.825 114.554 -0.003 0.000 2.867 13 T HA 0.405 4.755 4.350 0.000 0.000 0.282 13 T C -0.329 174.357 174.700 -0.023 0.000 1.000 13 T CA -0.004 62.089 62.100 -0.011 0.000 1.042 13 T CB 1.586 70.448 68.868 -0.009 0.000 0.973 13 T HN 0.043 nan 8.240 nan 0.000 0.465 14 T N 2.422 116.955 114.554 -0.034 0.000 2.767 14 T HA 0.493 4.843 4.350 0.000 0.000 0.284 14 T C 1.142 175.768 174.700 -0.123 0.000 0.973 14 T CA -0.594 61.475 62.100 -0.052 0.000 0.996 14 T CB 1.181 70.032 68.868 -0.029 0.000 0.927 14 T HN 0.858 nan 8.240 nan 0.000 0.456 15 T N -0.536 113.894 114.554 -0.206 0.000 3.429 15 T HA 0.187 4.537 4.350 0.000 0.000 0.212 15 T C 0.372 174.728 174.700 -0.572 0.000 0.980 15 T CA -0.300 61.475 62.100 -0.541 0.000 1.201 15 T CB -0.175 68.245 68.868 -0.746 0.000 1.289 15 T HN 0.548 nan 8.240 nan 0.000 0.346 16 H N 3.314 122.201 119.070 -0.306 0.000 2.767 16 H HA 0.506 5.062 4.556 0.000 0.000 0.316 16 H C 0.314 175.626 175.328 -0.026 0.000 1.059 16 H CA 0.724 56.692 56.048 -0.134 0.000 1.461 16 H CB 0.701 30.427 29.762 -0.060 0.000 1.475 16 H HN 0.720 nan 8.280 nan 0.000 0.531 17 T N -0.258 114.388 114.554 0.154 0.000 2.864 17 T HA 0.300 4.650 4.350 0.000 0.000 0.289 17 T C 0.003 174.821 174.700 0.196 0.000 1.082 17 T CA -1.363 60.832 62.100 0.159 0.000 1.009 17 T CB 2.127 71.091 68.868 0.159 0.000 1.234 17 T HN 0.310 nan 8.240 nan 0.000 0.526 18 K N 0.756 121.233 120.400 0.128 0.000 2.430 18 K HA 0.212 4.532 4.320 0.000 0.000 0.280 18 K C -0.008 176.637 176.600 0.075 0.000 1.063 18 K CA -0.370 55.968 56.287 0.085 0.000 1.071 18 K CB -0.663 31.862 32.500 0.041 0.000 0.899 18 K HN 0.778 nan 8.250 nan 0.000 0.473 19 C N 6.233 125.572 119.300 0.066 0.000 2.576 19 C HA 0.230 4.690 4.460 0.000 0.000 0.401 19 C C 1.874 176.750 174.990 -0.190 0.000 1.314 19 C CA -0.524 58.472 59.018 -0.037 0.000 1.855 19 C CB -0.206 27.570 27.740 0.061 0.000 2.537 19 C HN 1.131 nan 8.230 nan 0.000 0.578 20 R N 2.827 123.115 120.500 -0.353 0.000 2.103 20 R HA -0.146 4.194 4.340 0.000 0.000 0.242 20 R C 2.468 178.500 176.300 -0.447 0.000 1.142 20 R CA 2.044 57.919 56.100 -0.375 0.000 0.960 20 R CB -0.268 29.771 30.300 -0.433 0.000 0.858 20 R HN 0.869 nan 8.270 nan 0.000 0.439 21 R N -0.033 120.067 120.500 -0.667 0.000 2.062 21 R HA -0.096 4.244 4.340 0.000 0.000 0.226 21 R C 2.217 178.362 176.300 -0.259 0.000 1.125 21 R CA 1.739 57.503 56.100 -0.560 0.000 0.966 21 R CB -0.116 29.720 30.300 -0.774 0.000 0.861 21 R HN 0.512 nan 8.270 nan 0.000 0.433 22 C N -2.168 117.035 119.300 -0.162 0.000 3.228 22 C HA 0.526 4.986 4.460 0.000 0.000 0.290 22 C C 1.433 176.391 174.990 -0.053 0.000 1.301 22 C CA 0.082 59.054 59.018 -0.077 0.000 1.703 22 C CB 0.144 27.871 27.740 -0.022 0.000 2.141 22 C HN 0.680 nan 8.230 nan 0.000 0.656 23 G N 0.887 109.649 108.800 -0.062 0.000 2.184 23 G HA2 -0.182 3.778 3.960 0.000 0.000 0.264 23 G HA3 -0.182 3.778 3.960 0.000 0.000 0.264 23 G C -0.187 174.712 174.900 -0.002 0.000 0.975 23 G CA 0.626 45.705 45.100 -0.036 0.000 0.642 23 G HN 0.647 nan 8.290 nan 0.000 0.536 24 E N 0.147 120.359 120.200 0.020 0.000 2.318 24 E HA 0.306 4.656 4.350 0.000 0.000 0.265 24 E C 0.492 177.136 176.600 0.074 0.000 1.069 24 E CA -0.598 55.828 56.400 0.043 0.000 0.893 24 E CB 0.947 30.678 29.700 0.052 0.000 1.076 24 E HN 0.349 nan 8.360 nan 0.000 0.414 25 K N 1.331 121.774 120.400 0.072 0.000 2.502 25 K HA 0.158 4.478 4.320 0.000 0.000 0.244 25 K C -0.396 176.285 176.600 0.135 0.000 1.249 25 K CA 0.109 56.455 56.287 0.099 0.000 1.193 25 K CB -0.240 32.300 32.500 0.067 0.000 1.674 25 K HN 0.173 nan 8.250 nan 0.000 0.302 26 S N 1.115 116.935 115.700 0.199 0.000 2.847 26 S HA 0.017 4.487 4.470 0.000 0.000 0.254 26 S C -0.758 174.092 174.600 0.417 0.000 1.039 26 S CA -0.475 57.886 58.200 0.269 0.000 1.113 26 S CB -0.040 63.269 63.200 0.183 0.000 1.092 26 S HN 0.505 nan 8.310 nan 0.000 0.620 27 Y N 3.667 124.095 120.300 0.214 0.000 2.539 27 Y HA 0.305 4.855 4.550 0.000 0.000 0.352 27 Y C 0.328 176.305 175.900 0.128 0.000 1.004 27 Y CA -1.169 57.047 58.100 0.192 0.000 1.278 27 Y CB -0.360 38.204 38.460 0.173 0.000 1.136 27 Y HN 0.252 nan 8.280 nan 0.000 0.528 28 H N 4.246 123.136 119.070 -0.300 0.000 3.160 28 H HA 0.044 4.600 4.556 0.000 0.000 0.257 28 H C 1.465 176.482 175.328 -0.518 0.000 1.140 28 H CA 0.605 56.369 56.048 -0.473 0.000 1.492 28 H CB 0.796 30.275 29.762 -0.471 0.000 1.529 28 H HN 0.868 nan 8.280 nan 0.000 0.490 29 T N 3.461 117.850 114.554 -0.274 0.000 2.977 29 T HA -0.102 4.248 4.350 0.000 0.000 0.271 29 T C 1.719 176.385 174.700 -0.057 0.000 1.105 29 T CA 1.199 63.201 62.100 -0.163 0.000 1.116 29 T CB -0.049 68.793 68.868 -0.043 0.000 0.878 29 T HN 0.554 nan 8.240 nan 0.000 0.509 30 K N 0.518 120.987 120.400 0.115 0.000 2.211 30 K HA 0.127 4.447 4.320 0.000 0.000 0.201 30 K C 2.099 178.677 176.600 -0.038 0.000 1.052 30 K CA 0.736 57.072 56.287 0.083 0.000 0.973 30 K CB 0.045 32.640 32.500 0.159 0.000 0.766 30 K HN 0.361 nan 8.250 nan 0.000 0.466 31 K N 0.622 120.948 120.400 -0.123 0.000 2.323 31 K HA 0.063 4.383 4.320 0.000 0.000 0.197 31 K C -0.099 176.360 176.600 -0.234 0.000 1.043 31 K CA -0.054 56.072 56.287 -0.269 0.000 0.997 31 K CB 0.363 32.589 32.500 -0.457 0.000 0.807 31 K HN -0.156 nan 8.250 nan 0.000 0.497 32 K N 0.439 120.638 120.400 -0.336 0.000 3.096 32 K HA -0.135 4.185 4.320 0.000 0.000 0.266 32 K C -1.047 175.350 176.600 -0.339 0.000 1.043 32 K CA 0.437 56.459 56.287 -0.442 0.000 0.758 32 K CB -2.318 30.103 32.500 -0.132 0.000 1.260 32 K HN 0.053 nan 8.250 nan 0.000 0.481 33 V N -0.035 119.658 119.914 -0.368 0.000 2.808 33 V HA 0.228 4.348 4.120 0.000 0.000 0.308 33 V C -0.017 176.120 176.094 0.073 0.000 1.099 33 V CA -1.186 61.070 62.300 -0.074 0.000 0.920 33 V CB 2.509 34.296 31.823 -0.059 0.000 1.014 33 V HN 0.418 nan 8.190 nan 0.000 0.425 34 C N 4.003 123.486 119.300 0.305 0.000 2.394 34 C HA 0.370 4.830 4.460 0.000 0.000 0.362 34 C C 1.991 177.135 174.990 0.257 0.000 1.268 34 C CA 0.316 59.557 59.018 0.371 0.000 1.828 34 C CB 0.165 28.170 27.740 0.442 0.000 2.442 34 C HN 1.120 nan 8.230 nan 0.000 0.549 35 S N 3.444 119.302 115.700 0.264 0.000 2.481 35 S HA -0.096 4.374 4.470 0.000 0.000 0.231 35 S C 1.696 176.408 174.600 0.186 0.000 0.996 35 S CA 1.458 59.791 58.200 0.222 0.000 0.942 35 S CB -0.116 63.230 63.200 0.243 0.000 0.768 35 S HN 0.814 nan 8.310 nan 0.000 0.520 36 S N 0.603 116.409 115.700 0.176 0.000 2.384 36 S HA 0.005 4.475 4.470 0.000 0.000 0.217 36 S C 1.973 176.645 174.600 0.119 0.000 1.041 36 S CA 0.734 59.014 58.200 0.133 0.000 0.948 36 S CB -0.508 62.757 63.200 0.107 0.000 0.872 36 S HN 0.882 nan 8.310 nan 0.000 0.512 37 C N 0.339 119.719 119.300 0.134 0.000 2.906 37 C HA 0.680 5.140 4.460 0.000 0.000 0.274 37 C C 1.857 176.930 174.990 0.139 0.000 1.257 37 C CA 0.217 59.300 59.018 0.108 0.000 1.695 37 C CB -0.562 27.231 27.740 0.088 0.000 1.958 37 C HN 0.795 nan 8.230 nan 0.000 0.619 38 G N 0.401 109.309 108.800 0.180 0.000 2.205 38 G HA2 -0.297 3.663 3.960 0.000 0.000 0.261 38 G HA3 -0.297 3.663 3.960 0.000 0.000 0.261 38 G C -0.066 174.951 174.900 0.194 0.000 0.980 38 G CA 0.257 45.455 45.100 0.162 0.000 0.632 38 G HN 0.829 nan 8.290 nan 0.000 0.533 39 F N 1.864 121.877 119.950 0.105 0.000 2.623 39 F HA 0.344 4.871 4.527 0.000 0.000 0.386 39 F C 1.601 177.506 175.800 0.175 0.000 1.068 39 F CA 1.817 59.882 58.000 0.108 0.000 1.265 39 F CB 0.322 39.373 39.000 0.084 0.000 1.026 39 F HN 1.290 nan 8.300 nan 0.000 0.568 40 G N 4.406 112.844 108.800 -0.604 0.000 2.234 40 G HA2 -0.346 3.614 3.960 0.000 0.000 0.235 40 G HA3 -0.346 3.614 3.960 0.000 0.000 0.235 40 G C 1.066 175.867 174.900 -0.166 0.000 0.997 40 G CA 0.477 45.316 45.100 -0.436 0.000 0.623 40 G HN 0.808 nan 8.290 nan 0.000 0.514 41 K N -0.223 120.134 120.400 -0.072 0.000 2.380 41 K HA 0.462 4.782 4.320 0.000 0.000 0.200 41 K C 0.759 177.358 176.600 -0.001 0.000 1.201 41 K CA 1.023 57.297 56.287 -0.021 0.000 0.916 41 K CB 0.553 33.065 32.500 0.020 0.000 1.187 41 K HN 0.450 nan 8.250 nan 0.000 0.498 42 S N -0.867 114.846 115.700 0.022 0.000 2.536 42 S HA 0.580 5.050 4.470 0.000 0.000 0.287 42 S C 0.225 174.857 174.600 0.052 0.000 1.101 42 S CA -0.322 57.897 58.200 0.030 0.000 0.950 42 S CB 1.834 65.052 63.200 0.029 0.000 1.056 42 S HN 0.297 nan 8.310 nan 0.000 0.481 43 A N 4.460 127.304 122.820 0.040 0.000 1.897 43 A HA 0.207 4.527 4.320 0.000 0.000 0.215 43 A C 0.904 178.516 177.584 0.046 0.000 1.181 43 A CA 0.870 52.940 52.037 0.054 0.000 0.620 43 A CB -0.392 18.629 19.000 0.035 0.000 0.821 43 A HN 0.777 nan 8.150 nan 0.000 0.443 44 K N 0.623 121.035 120.400 0.019 0.000 2.258 44 K HA 0.236 4.556 4.320 0.000 0.000 0.264 44 K C -0.212 176.386 176.600 -0.004 0.000 1.007 44 K CA -0.479 55.806 56.287 -0.003 0.000 0.941 44 K CB 0.440 32.925 32.500 -0.024 0.000 0.966 44 K HN 0.183 nan 8.250 nan 0.000 0.480 45 R N 2.198 122.684 120.500 -0.024 0.000 2.490 45 R HA 0.074 4.414 4.340 0.000 0.000 0.280 45 R C 0.246 176.496 176.300 -0.084 0.000 1.077 45 R CA -0.228 55.854 56.100 -0.029 0.000 1.065 45 R CB 0.593 30.870 30.300 -0.038 0.000 1.003 45 R HN 0.581 nan 8.270 nan 0.000 0.470 46 R N 1.856 122.316 120.500 -0.066 0.000 2.449 46 R HA -0.033 4.307 4.340 0.000 0.000 0.296 46 R C -0.857 175.294 176.300 -0.249 0.000 1.047 46 R CA 0.611 56.626 56.100 -0.143 0.000 1.018 46 R CB 0.255 30.556 30.300 0.002 0.000 0.962 46 R HN 0.665 nan 8.270 nan 0.000 0.428 47 D N 2.902 122.979 120.400 -0.538 0.000 2.745 47 D HA 0.259 4.899 4.640 0.000 0.000 0.221 47 D C -1.981 173.771 176.300 -0.913 0.000 1.237 47 D CA -0.392 53.302 54.000 -0.510 0.000 0.781 47 D CB 0.727 41.345 40.800 -0.303 0.000 1.575 47 D HN 0.417 nan 8.370 nan 0.000 0.482 48 Y N 1.081 121.089 120.300 -0.487 0.000 2.524 48 Y HA 0.292 4.842 4.550 0.000 0.000 0.347 48 Y C 1.000 176.551 175.900 -0.583 0.000 1.005 48 Y CA -0.861 56.825 58.100 -0.690 0.000 1.025 48 Y CB 2.156 39.673 38.460 -1.573 0.000 1.275 48 Y HN 0.280 nan 8.280 nan 0.000 0.460 49 E N 1.919 122.009 120.200 -0.183 0.000 2.204 49 E HA -0.156 4.194 4.350 0.000 0.000 0.195 49 E C 1.481 178.110 176.600 0.049 0.000 0.990 49 E CA 1.136 57.508 56.400 -0.047 0.000 0.821 49 E CB -0.072 29.654 29.700 0.043 0.000 0.750 49 E HN 0.837 nan 8.360 nan 0.000 0.477 50 W N 0.609 121.974 121.300 0.108 0.000 3.204 50 W HA 0.085 4.745 4.660 0.000 0.000 0.249 50 W C 0.593 177.148 176.519 0.060 0.000 1.322 50 W CA -0.149 57.234 57.345 0.063 0.000 1.593 50 W CB -0.476 29.004 29.460 0.034 0.000 1.122 50 W HN 0.037 nan 8.180 nan 0.000 0.710 51 Q N 1.648 121.490 119.800 0.070 0.000 2.444 51 Q HA 0.006 4.346 4.340 0.000 0.000 0.206 51 Q C 0.731 176.787 176.000 0.093 0.000 0.948 51 Q CA 0.639 56.484 55.803 0.070 0.000 0.946 51 Q CB 0.291 28.948 28.738 -0.135 0.000 1.027 51 Q HN 0.238 nan 8.270 nan 0.000 0.513 52 S N -1.399 114.363 115.700 0.103 0.000 2.625 52 S HA 0.430 4.900 4.470 0.000 0.000 0.271 52 S C -0.995 173.659 174.600 0.090 0.000 1.161 52 S CA -1.223 57.023 58.200 0.076 0.000 0.820 52 S CB 1.596 64.818 63.200 0.037 0.000 1.137 52 S HN -0.184 nan 8.310 nan 0.000 0.470 53 K N 0.970 121.410 120.400 0.066 0.000 2.401 53 K HA 0.370 4.690 4.320 0.000 0.000 0.278 53 K C 1.625 178.259 176.600 0.057 0.000 1.018 53 K CA 0.432 56.756 56.287 0.061 0.000 0.981 53 K CB 0.659 33.185 32.500 0.044 0.000 0.933 53 K HN 0.834 nan 8.250 nan 0.000 0.477 54 A N 3.068 125.925 122.820 0.061 0.000 1.971 54 A HA -0.179 4.141 4.320 0.000 0.000 0.222 54 A C 1.532 179.140 177.584 0.039 0.000 1.182 54 A CA 2.294 54.364 52.037 0.055 0.000 0.649 54 A CB -0.519 18.512 19.000 0.052 0.000 0.818 54 A HN 0.748 nan 8.150 nan 0.000 0.458 55 G N -1.123 107.696 108.800 0.032 0.000 3.814 55 G HA2 0.465 4.425 3.960 0.000 0.000 0.293 55 G HA3 0.465 4.425 3.960 0.000 0.000 0.293 55 G C -0.054 174.858 174.900 0.021 0.000 1.243 55 G CA 0.514 45.629 45.100 0.024 0.000 1.053 55 G HN 0.607 nan 8.290 nan 0.000 0.562 56 E N 0.000 120.213 120.200 0.022 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 0.017 0.000 0.000 56 E CB 0.000 29.712 29.700 0.020 0.000 0.000 56 E HN 0.000 nan 8.360 nan 0.000 0.000