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 1h34_1_A DATA FIRST_RESID 16 DATA SEQUENCE KPccDHcScT KSIPPQcRcT DLRLDScHSA cKScIcTLSI PAQcVcDDID DATA SEQUENCE DFcYEPc 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 16 K HA 0.000 nan 4.320 nan 0.000 0.191 16 K C 0.000 176.571 176.600 -0.049 0.000 0.988 16 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 16 K CB 0.000 32.502 32.500 0.003 0.000 1.064 17 P HA 0.369 nan 4.420 nan 0.000 0.284 17 P C -0.385 176.725 177.300 -0.317 0.000 1.343 17 P CA -0.402 62.360 63.100 -0.563 0.000 0.826 17 P CB 0.214 31.571 31.700 -0.573 0.000 0.956 18 c N 1.739 120.174 118.600 -0.276 0.000 3.291 18 c HA 0.868 5.438 4.570 0.000 0.000 0.316 18 c C -0.978 173.130 174.090 0.030 0.000 1.391 18 c CA -1.048 55.260 56.329 -0.036 0.000 1.394 18 c CB 1.369 43.885 42.510 0.010 0.000 1.744 18 c HN 0.685 nan 8.230 nan 0.000 0.461 19 c N 1.721 120.384 118.600 0.104 0.000 2.811 19 c HA 0.621 5.191 4.570 0.000 0.000 0.352 19 c C 0.467 174.622 174.090 0.108 0.000 1.098 19 c CA -0.109 56.297 56.329 0.128 0.000 1.295 19 c CB 1.144 43.764 42.510 0.182 0.000 1.758 19 c HN 1.015 nan 8.230 nan 0.000 0.488 20 D N 0.666 121.132 120.400 0.110 0.000 2.301 20 D HA 0.101 4.741 4.640 0.000 0.000 0.206 20 D C 0.246 176.651 176.300 0.175 0.000 0.979 20 D CA 1.063 55.132 54.000 0.114 0.000 0.874 20 D CB 0.104 40.960 40.800 0.094 0.000 0.968 20 D HN 0.729 nan 8.370 nan 0.000 0.510 21 H N 0.193 119.289 119.070 0.044 0.000 2.800 21 H HA 0.303 4.859 4.556 0.000 0.000 0.322 21 H C -1.274 174.079 175.328 0.042 0.000 0.979 21 H CA -0.567 55.502 56.048 0.036 0.000 1.277 21 H CB 1.167 30.945 29.762 0.026 0.000 1.484 21 H HN -0.019 nan 8.280 nan 0.000 0.512 22 c N 4.256 122.650 118.600 -0.343 0.000 2.329 22 c HA 0.516 5.087 4.570 0.000 0.000 0.329 22 c C 0.052 173.899 174.090 -0.406 0.000 1.275 22 c CA -0.134 56.024 56.329 -0.284 0.000 1.726 22 c CB 0.657 43.102 42.510 -0.109 0.000 2.291 22 c HN 0.806 nan 8.230 nan 0.000 0.514 23 S N 3.634 119.163 115.700 -0.285 0.000 2.437 23 S HA 0.680 5.150 4.470 0.000 0.000 0.305 23 S C -0.773 173.763 174.600 -0.107 0.000 1.109 23 S CA -0.366 57.724 58.200 -0.182 0.000 1.099 23 S CB 0.458 63.588 63.200 -0.116 0.000 1.004 23 S HN 0.902 nan 8.310 nan 0.000 0.475 24 c N 2.876 121.430 118.600 -0.077 0.000 2.563 24 c HA 0.692 5.263 4.570 0.000 0.000 0.314 24 c C 0.871 174.939 174.090 -0.037 0.000 1.199 24 c CA -0.976 55.319 56.329 -0.058 0.000 1.564 24 c CB 1.210 43.689 42.510 -0.051 0.000 2.173 24 c HN 0.954 nan 8.230 nan 0.000 0.485 25 T N -0.007 114.529 114.554 -0.032 0.000 2.766 25 T HA 0.229 4.579 4.350 0.000 0.000 0.295 25 T C 0.315 175.006 174.700 -0.015 0.000 1.024 25 T CA -0.258 61.831 62.100 -0.020 0.000 1.018 25 T CB 0.482 69.339 68.868 -0.017 0.000 1.002 25 T HN 0.714 nan 8.240 nan 0.000 0.532 26 K N 0.654 121.049 120.400 -0.009 0.000 2.500 26 K HA 0.214 4.534 4.320 0.000 0.000 0.206 26 K C 0.740 177.337 176.600 -0.005 0.000 1.034 26 K CA -0.395 55.888 56.287 -0.006 0.000 1.179 26 K CB 0.175 32.673 32.500 -0.003 0.000 0.884 26 K HN 0.706 nan 8.250 nan 0.000 0.493 27 S N -0.296 115.400 115.700 -0.006 0.000 2.745 27 S HA 0.530 5.000 4.470 0.000 0.000 0.292 27 S C -0.050 174.547 174.600 -0.004 0.000 1.127 27 S CA -0.919 57.278 58.200 -0.005 0.000 1.007 27 S CB 1.239 64.436 63.200 -0.005 0.000 1.165 27 S HN -0.057 nan 8.310 nan 0.000 0.544 28 I N 2.585 123.154 120.570 -0.002 0.000 2.418 28 I HA 0.422 4.592 4.170 0.000 0.000 0.287 28 I C -1.992 174.125 176.117 -0.000 0.000 1.008 28 I CA -1.917 59.383 61.300 -0.001 0.000 1.104 28 I CB 1.018 39.019 38.000 0.000 0.000 1.264 28 I HN 0.704 nan 8.210 nan 0.000 0.438 29 P HA 0.392 nan 4.420 nan 0.000 0.274 29 P C -2.793 174.505 177.300 -0.003 0.000 1.231 29 P CA -1.113 61.989 63.100 0.003 0.000 0.790 29 P CB 0.172 31.876 31.700 0.007 0.000 0.951 30 P HA 0.160 nan 4.420 nan 0.000 0.274 30 P C -0.739 176.544 177.300 -0.029 0.000 1.231 30 P CA -0.065 63.026 63.100 -0.015 0.000 0.790 30 P CB 0.873 32.565 31.700 -0.013 0.000 0.951 31 Q N 0.867 120.645 119.800 -0.037 0.000 2.348 31 Q HA 0.428 4.768 4.340 0.000 0.000 0.265 31 Q C -1.021 174.937 176.000 -0.070 0.000 0.998 31 Q CA -0.399 55.372 55.803 -0.052 0.000 0.831 31 Q CB 1.172 29.888 28.738 -0.038 0.000 1.251 31 Q HN 0.473 nan 8.270 nan 0.000 0.456 32 c N 2.906 121.441 118.600 -0.109 0.000 2.456 32 c HA 0.723 5.293 4.570 0.000 0.000 0.325 32 c C -0.158 173.854 174.090 -0.129 0.000 1.217 32 c CA -0.790 55.464 56.329 -0.126 0.000 1.687 32 c CB 0.993 43.402 42.510 -0.169 0.000 2.270 32 c HN 0.907 nan 8.230 nan 0.000 0.499 33 R N 1.067 121.510 120.500 -0.094 0.000 2.837 33 R HA 0.765 5.105 4.340 0.000 0.000 0.271 33 R C -1.304 174.971 176.300 -0.041 0.000 0.993 33 R CA -0.443 55.621 56.100 -0.059 0.000 0.931 33 R CB 0.765 31.042 30.300 -0.039 0.000 1.206 33 R HN 0.621 nan 8.270 nan 0.000 0.474 34 c N 2.337 120.947 118.600 0.018 0.000 2.347 34 c HA 0.317 4.887 4.570 0.000 0.000 0.353 34 c C 1.703 175.810 174.090 0.028 0.000 1.273 34 c CA 0.127 56.481 56.329 0.042 0.000 1.861 34 c CB 0.387 42.973 42.510 0.127 0.000 2.420 34 c HN 0.941 nan 8.230 nan 0.000 0.542 35 T N 0.681 115.259 114.554 0.039 0.000 3.107 35 T HA 0.107 4.457 4.350 0.000 0.000 0.249 35 T C 0.157 174.907 174.700 0.083 0.000 1.096 35 T CA -0.134 62.011 62.100 0.075 0.000 1.012 35 T CB -0.447 68.509 68.868 0.147 0.000 0.977 35 T HN 0.724 nan 8.240 nan 0.000 0.527 36 D N 1.666 122.116 120.400 0.083 0.000 2.472 36 D HA 0.148 4.788 4.640 0.000 0.000 0.237 36 D C -0.219 176.101 176.300 0.033 0.000 1.141 36 D CA 0.107 54.148 54.000 0.069 0.000 0.875 36 D CB 0.642 41.484 40.800 0.069 0.000 1.192 36 D HN 0.318 nan 8.370 nan 0.000 0.450 37 L N 2.809 124.047 121.223 0.025 0.000 2.272 37 L HA 0.363 4.703 4.340 0.000 0.000 0.289 37 L C 0.347 177.220 176.870 0.005 0.000 1.032 37 L CA -0.434 54.411 54.840 0.008 0.000 0.810 37 L CB 0.637 42.701 42.059 0.007 0.000 1.205 37 L HN 0.175 nan 8.230 nan 0.000 0.422 38 R N 3.742 124.239 120.500 -0.005 0.000 2.854 38 R HA 0.607 4.947 4.340 0.000 0.000 0.271 38 R C -1.055 175.240 176.300 -0.009 0.000 0.996 38 R CA -0.914 55.184 56.100 -0.004 0.000 0.961 38 R CB 2.157 32.452 30.300 -0.009 0.000 1.182 38 R HN 0.494 nan 8.270 nan 0.000 0.479 39 L N 2.503 123.723 121.223 -0.005 0.000 2.349 39 L HA 0.079 4.419 4.340 0.000 0.000 0.275 39 L C 0.286 177.150 176.870 -0.010 0.000 1.115 39 L CA 0.337 55.173 54.840 -0.006 0.000 0.820 39 L CB 0.655 42.712 42.059 -0.003 0.000 1.135 39 L HN 0.808 nan 8.230 nan 0.000 0.445 40 D N 0.054 120.447 120.400 -0.012 0.000 2.719 40 D HA -0.210 4.431 4.640 0.000 0.000 0.170 40 D C 0.262 176.551 176.300 -0.019 0.000 1.631 40 D CA 1.913 55.906 54.000 -0.013 0.000 1.883 40 D CB -0.525 40.269 40.800 -0.009 0.000 1.378 40 D HN 0.720 nan 8.370 nan 0.000 0.448 41 S N -1.637 114.048 115.700 -0.024 0.000 2.595 41 S HA 0.553 5.023 4.470 0.000 0.000 0.270 41 S C -0.255 174.313 174.600 -0.054 0.000 1.145 41 S CA -0.485 57.693 58.200 -0.036 0.000 0.825 41 S CB 1.928 65.111 63.200 -0.029 0.000 1.107 41 S HN 0.287 nan 8.310 nan 0.000 0.461 42 c N 3.402 121.947 118.600 -0.092 0.000 2.563 42 c HA 0.517 5.087 4.570 0.000 0.000 0.358 42 c C 1.302 175.300 174.090 -0.154 0.000 1.336 42 c CA -0.436 55.791 56.329 -0.170 0.000 2.454 42 c CB -0.579 41.777 42.510 -0.257 0.000 2.448 42 c HN 1.046 nan 8.230 nan 0.000 0.670 43 H N 0.444 119.454 119.070 -0.100 0.000 2.871 43 H HA 0.025 4.581 4.556 0.000 0.000 0.377 43 H C 1.120 176.382 175.328 -0.110 0.000 1.307 43 H CA 0.695 56.667 56.048 -0.125 0.000 1.449 43 H CB 0.235 29.865 29.762 -0.219 0.000 1.452 43 H HN 0.724 nan 8.280 nan 0.000 0.619 44 S N 0.408 116.185 115.700 0.128 0.000 2.447 44 S HA -0.067 4.403 4.470 0.000 0.000 0.233 44 S C 1.837 176.509 174.600 0.120 0.000 1.006 44 S CA 0.391 58.637 58.200 0.077 0.000 0.957 44 S CB -0.224 63.003 63.200 0.045 0.000 0.773 44 S HN 0.763 nan 8.310 nan 0.000 0.507 45 A N -0.092 122.893 122.820 0.275 0.000 2.345 45 A HA 0.371 4.691 4.320 0.000 0.000 0.225 45 A C 0.843 178.556 177.584 0.215 0.000 1.243 45 A CA -0.218 51.951 52.037 0.220 0.000 0.875 45 A CB -0.894 18.213 19.000 0.179 0.000 0.929 45 A HN 0.621 nan 8.150 nan 0.000 0.502 46 c N 0.342 118.969 118.600 0.044 0.000 2.585 46 c HA 0.436 5.006 4.570 0.000 0.000 0.406 46 c C 1.478 175.546 174.090 -0.036 0.000 1.312 46 c CA -0.121 56.131 56.329 -0.129 0.000 1.924 46 c CB -0.212 42.037 42.510 -0.435 0.000 2.578 46 c HN 0.661 nan 8.230 nan 0.000 0.580 47 K N 2.085 122.486 120.400 0.001 0.000 2.244 47 K HA 0.097 4.417 4.320 0.000 0.000 0.200 47 K C 0.675 177.267 176.600 -0.013 0.000 1.052 47 K CA 0.505 56.797 56.287 0.009 0.000 0.980 47 K CB 0.164 32.684 32.500 0.033 0.000 0.838 47 K HN 0.542 nan 8.250 nan 0.000 0.481 48 S N 0.682 116.366 115.700 -0.026 0.000 2.577 48 S HA 0.256 4.726 4.470 0.000 0.000 0.294 48 S C -1.268 173.300 174.600 -0.053 0.000 1.161 48 S CA -0.838 57.344 58.200 -0.030 0.000 1.143 48 S CB 0.485 63.674 63.200 -0.019 0.000 0.991 48 S HN 0.291 nan 8.310 nan 0.000 0.475 49 c N 8.437 127.003 118.600 -0.058 0.000 2.264 49 c HA 0.741 5.311 4.570 0.000 0.000 0.324 49 c C -0.107 173.954 174.090 -0.048 0.000 1.267 49 c CA -0.969 55.317 56.329 -0.071 0.000 1.618 49 c CB -1.513 40.947 42.510 -0.084 0.000 2.278 49 c HN 0.840 nan 8.230 nan 0.000 0.499 50 I N 3.970 124.515 120.570 -0.042 0.000 2.562 50 I HA 0.859 5.029 4.170 0.000 0.000 0.301 50 I C -0.476 175.624 176.117 -0.028 0.000 1.003 50 I CA -0.267 61.016 61.300 -0.029 0.000 1.127 50 I CB 1.494 39.481 38.000 -0.023 0.000 1.304 50 I HN 0.449 nan 8.210 nan 0.000 0.446 51 c N 2.127 120.714 118.600 -0.022 0.000 2.994 51 c HA 0.623 5.193 4.570 0.000 0.000 0.305 51 c C 0.529 174.610 174.090 -0.014 0.000 1.251 51 c CA -0.378 55.940 56.329 -0.020 0.000 1.478 51 c CB 2.248 44.745 42.510 -0.021 0.000 1.922 51 c HN 0.960 nan 8.230 nan 0.000 0.472 52 T N 0.521 115.067 114.554 -0.012 0.000 2.898 52 T HA 0.341 4.692 4.350 0.000 0.000 0.301 52 T C 0.023 174.717 174.700 -0.009 0.000 1.049 52 T CA -0.400 61.695 62.100 -0.009 0.000 1.095 52 T CB 0.304 69.167 68.868 -0.008 0.000 0.976 52 T HN 0.372 nan 8.240 nan 0.000 0.539 53 L N 3.526 124.745 121.223 -0.007 0.000 2.480 53 L HA 0.353 4.693 4.340 0.000 0.000 0.243 53 L C 0.823 177.689 176.870 -0.006 0.000 1.315 53 L CA 0.286 55.122 54.840 -0.007 0.000 1.231 53 L CB -1.939 40.116 42.059 -0.006 0.000 1.444 53 L HN 1.072 nan 8.230 nan 0.000 0.409 54 S N 0.069 115.765 115.700 -0.006 0.000 2.688 54 S HA 0.791 5.261 4.470 0.000 0.000 0.275 54 S C -0.863 173.734 174.600 -0.005 0.000 1.175 54 S CA -0.877 57.320 58.200 -0.005 0.000 0.818 54 S CB 2.545 65.742 63.200 -0.005 0.000 1.157 54 S HN -0.017 nan 8.310 nan 0.000 0.482 55 I N 2.102 122.669 120.570 -0.005 0.000 2.466 55 I HA 0.543 4.713 4.170 0.000 0.000 0.289 55 I C -2.328 173.787 176.117 -0.004 0.000 1.026 55 I CA -2.064 59.233 61.300 -0.005 0.000 1.078 55 I CB 0.774 38.772 38.000 -0.004 0.000 1.249 55 I HN 0.655 nan 8.210 nan 0.000 0.429 56 P HA 0.476 nan 4.420 nan 0.000 0.278 56 P C -0.462 176.835 177.300 -0.006 0.000 1.238 56 P CA -0.469 62.628 63.100 -0.005 0.000 0.794 56 P CB 0.727 32.424 31.700 -0.004 0.000 0.955 57 A N 2.442 125.258 122.820 -0.008 0.000 2.425 57 A HA 0.224 4.544 4.320 0.000 0.000 0.249 57 A C -0.053 177.525 177.584 -0.010 0.000 1.084 57 A CA -0.279 51.753 52.037 -0.010 0.000 0.781 57 A CB -0.102 18.890 19.000 -0.012 0.000 1.019 57 A HN 0.614 nan 8.150 nan 0.000 0.490 58 Q N 0.484 120.278 119.800 -0.010 0.000 2.333 58 Q HA 0.469 4.809 4.340 0.000 0.000 0.265 58 Q C -1.337 174.655 176.000 -0.015 0.000 0.989 58 Q CA -0.374 55.423 55.803 -0.011 0.000 0.842 58 Q CB 1.729 30.462 28.738 -0.007 0.000 1.262 58 Q HN 0.740 nan 8.270 nan 0.000 0.451 59 c N 2.247 120.835 118.600 -0.020 0.000 2.507 59 c HA 0.740 5.310 4.570 0.000 0.000 0.319 59 c C -0.133 173.936 174.090 -0.035 0.000 1.208 59 c CA -0.723 55.588 56.329 -0.030 0.000 1.619 59 c CB 1.326 43.812 42.510 -0.041 0.000 2.230 59 c HN 0.568 nan 8.230 nan 0.000 0.492 60 V N 1.805 121.696 119.914 -0.039 0.000 2.540 60 V HA 0.391 4.511 4.120 0.000 0.000 0.302 60 V C 0.016 176.071 176.094 -0.065 0.000 1.035 60 V CA -0.511 61.765 62.300 -0.040 0.000 0.873 60 V CB 1.627 33.437 31.823 -0.021 0.000 0.992 60 V HN 1.064 nan 8.190 nan 0.000 0.428 61 c N 4.383 122.930 118.600 -0.088 0.000 2.394 61 c HA 0.461 5.032 4.570 0.000 0.000 0.362 61 c C 0.855 174.912 174.090 -0.055 0.000 1.268 61 c CA -0.401 55.859 56.329 -0.114 0.000 1.828 61 c CB -0.682 41.700 42.510 -0.214 0.000 2.442 61 c HN 1.042 nan 8.230 nan 0.000 0.549 62 D N 2.384 122.759 120.400 -0.042 0.000 2.559 62 D HA 0.178 4.818 4.640 0.000 0.000 0.234 62 D C -0.353 175.936 176.300 -0.017 0.000 1.226 62 D CA -0.347 53.639 54.000 -0.023 0.000 0.830 62 D CB -0.164 40.625 40.800 -0.019 0.000 1.028 62 D HN 0.429 nan 8.370 nan 0.000 0.492 63 D N 1.053 121.446 120.400 -0.011 0.000 2.488 63 D HA 0.029 4.669 4.640 0.000 0.000 0.238 63 D C 0.511 176.799 176.300 -0.019 0.000 1.138 63 D CA 0.229 54.230 54.000 0.002 0.000 0.873 63 D CB 0.890 41.717 40.800 0.045 0.000 1.183 63 D HN 0.155 nan 8.370 nan 0.000 0.458 64 I N 2.396 122.945 120.570 -0.035 0.000 2.392 64 I HA 0.324 4.494 4.170 0.000 0.000 0.295 64 I C 0.473 176.520 176.117 -0.117 0.000 0.985 64 I CA -0.210 61.048 61.300 -0.070 0.000 1.221 64 I CB 1.232 39.203 38.000 -0.049 0.000 1.366 64 I HN 0.191 nan 8.210 nan 0.000 0.467 65 D N 3.698 123.964 120.400 -0.223 0.000 2.592 65 D HA 0.180 4.820 4.640 0.000 0.000 0.263 65 D C -0.398 175.729 176.300 -0.288 0.000 1.132 65 D CA -0.180 53.606 54.000 -0.356 0.000 0.996 65 D CB 2.695 42.935 40.800 -0.933 0.000 1.442 65 D HN 0.529 nan 8.370 nan 0.000 0.486 66 D N -0.389 119.916 120.400 -0.158 0.000 2.395 66 D HA 0.112 4.752 4.640 0.000 0.000 0.226 66 D C 0.040 176.375 176.300 0.059 0.000 1.146 66 D CA -0.178 53.812 54.000 -0.017 0.000 0.830 66 D CB -0.474 40.365 40.800 0.064 0.000 0.958 66 D HN 0.281 nan 8.370 nan 0.000 0.501 67 F N -1.827 118.054 119.950 -0.115 0.000 2.686 67 F HA 0.599 5.127 4.527 0.000 0.000 0.311 67 F C -1.156 174.533 175.800 -0.186 0.000 1.128 67 F CA -1.735 56.176 58.000 -0.149 0.000 0.946 67 F CB 0.825 39.711 39.000 -0.189 0.000 1.336 67 F HN -0.235 nan 8.300 nan 0.000 0.457 68 c N 1.865 120.447 118.600 -0.031 0.000 2.350 68 c HA 0.533 5.103 4.570 0.000 0.000 0.348 68 c C -0.232 173.876 174.090 0.029 0.000 1.260 68 c CA -0.568 55.725 56.329 -0.059 0.000 1.966 68 c CB -0.122 42.386 42.510 -0.003 0.000 2.380 68 c HN 0.687 nan 8.230 nan 0.000 0.535 69 Y N 1.407 121.769 120.300 0.104 0.000 2.426 69 Y HA 0.233 4.783 4.550 0.000 0.000 0.344 69 Y C 1.240 177.168 175.900 0.046 0.000 1.256 69 Y CA 0.004 58.158 58.100 0.090 0.000 1.451 69 Y CB 0.465 38.896 38.460 -0.048 0.000 1.342 69 Y HN 0.668 nan 8.280 nan 0.000 0.600 70 E N 2.354 122.661 120.200 0.179 0.000 2.408 70 E HA 0.198 4.548 4.350 0.000 0.000 0.259 70 E C -2.661 173.995 176.600 0.093 0.000 1.110 70 E CA -1.893 54.567 56.400 0.100 0.000 0.929 70 E CB -0.220 29.520 29.700 0.067 0.000 0.971 70 E HN 0.250 nan 8.360 nan 0.000 0.438 71 P HA -0.085 nan 4.420 nan 0.000 0.269 71 P C -0.542 176.790 177.300 0.053 0.000 1.211 71 P CA -0.228 62.910 63.100 0.063 0.000 0.781 71 P CB 0.480 32.211 31.700 0.051 0.000 0.877 72 c N 0.000 118.630 118.600 0.050 0.000 2.653 72 c HA 0.000 4.570 4.570 0.000 0.000 0.325 72 c CA 0.000 56.352 56.329 0.038 0.000 1.963 72 c CB 0.000 42.535 42.510 0.041 0.000 2.134 72 c HN 0.000 nan 8.230 nan 0.000 0.568