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 2z3x_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKLLIPQAAS AIEQMKLEIA SEFGVQLGAE TTSRANGSVG GEITKRLVRL DATA SEQUENCE AQQNMG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 K N 1.388 121.785 120.400 -0.004 0.000 2.412 3 K HA 0.480 4.800 4.320 -0.000 0.000 0.281 3 K C -0.303 176.294 176.600 -0.005 0.000 1.027 3 K CA -0.086 56.199 56.287 -0.004 0.000 0.989 3 K CB 0.307 32.805 32.500 -0.003 0.000 0.935 3 K HN 0.520 nan 8.250 nan 0.000 0.475 4 L N 4.287 125.507 121.223 -0.006 0.000 2.454 4 L HA 0.092 4.432 4.340 -0.000 0.000 0.256 4 L C 1.453 178.320 176.870 -0.005 0.000 1.136 4 L CA -0.916 53.920 54.840 -0.006 0.000 0.804 4 L CB 0.351 42.406 42.059 -0.008 0.000 1.181 4 L HN 0.627 nan 8.230 nan 0.000 0.469 5 L N 1.356 122.576 121.223 -0.005 0.000 2.042 5 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 5 L C 0.644 177.511 176.870 -0.004 0.000 1.076 5 L CA 1.817 56.655 54.840 -0.004 0.000 0.749 5 L CB -0.287 41.769 42.059 -0.004 0.000 0.893 5 L HN 0.389 nan 8.230 nan 0.000 0.432 6 I N 0.487 121.053 120.570 -0.005 0.000 2.555 6 I HA 0.195 4.365 4.170 -0.000 0.000 0.275 6 I C -1.477 174.637 176.117 -0.006 0.000 1.082 6 I CA -1.482 59.815 61.300 -0.005 0.000 1.167 6 I CB 1.170 39.166 38.000 -0.005 0.000 1.312 6 I HN -0.057 nan 8.210 nan 0.000 0.493 7 P HA -0.205 nan 4.420 nan 0.000 0.223 7 P C 0.939 178.235 177.300 -0.006 0.000 1.144 7 P CA 1.221 64.317 63.100 -0.006 0.000 0.783 7 P CB 0.393 32.091 31.700 -0.005 0.000 0.771 8 Q N -0.094 119.703 119.800 -0.005 0.000 2.364 8 Q HA 0.036 4.376 4.340 -0.000 0.000 0.207 8 Q C 2.136 178.132 176.000 -0.006 0.000 0.970 8 Q CA 1.470 57.270 55.803 -0.005 0.000 0.888 8 Q CB -0.883 27.852 28.738 -0.005 0.000 0.951 8 Q HN 0.294 nan 8.270 nan 0.000 0.469 9 A N -0.311 122.504 122.820 -0.007 0.000 2.267 9 A HA 0.402 4.722 4.320 -0.000 0.000 0.213 9 A C 2.027 179.604 177.584 -0.010 0.000 1.192 9 A CA 0.622 52.654 52.037 -0.009 0.000 0.851 9 A CB -0.320 18.674 19.000 -0.009 0.000 0.881 9 A HN 0.290 nan 8.150 nan 0.000 0.494 10 A N 0.140 122.954 122.820 -0.010 0.000 1.909 10 A HA -0.288 4.032 4.320 -0.000 0.000 0.221 10 A C 2.455 180.032 177.584 -0.012 0.000 1.223 10 A CA 2.493 54.524 52.037 -0.011 0.000 0.658 10 A CB -1.125 17.869 19.000 -0.009 0.000 0.831 10 A HN 0.576 nan 8.150 nan 0.000 0.462 11 S N -1.100 114.594 115.700 -0.011 0.000 2.382 11 S HA 0.007 4.477 4.470 -0.000 0.000 0.228 11 S C 2.143 176.735 174.600 -0.013 0.000 1.027 11 S CA 1.541 59.734 58.200 -0.011 0.000 0.991 11 S CB -0.477 62.718 63.200 -0.009 0.000 0.823 11 S HN 0.897 nan 8.310 nan 0.000 0.469 12 A N 1.407 124.219 122.820 -0.013 0.000 1.898 12 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 12 A C 2.037 179.609 177.584 -0.020 0.000 1.181 12 A CA 1.556 53.584 52.037 -0.015 0.000 0.620 12 A CB -0.773 18.219 19.000 -0.013 0.000 0.819 12 A HN 0.752 nan 8.150 nan 0.000 0.442 13 I N -1.551 119.007 120.570 -0.020 0.000 2.439 13 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 13 I C 1.939 178.038 176.117 -0.029 0.000 1.139 13 I CA 2.043 63.327 61.300 -0.026 0.000 1.438 13 I CB -0.702 37.285 38.000 -0.023 0.000 1.085 13 I HN 0.441 nan 8.210 nan 0.000 0.427 14 E N 0.582 120.768 120.200 -0.024 0.000 2.051 14 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 14 E C 2.171 178.754 176.600 -0.028 0.000 0.991 14 E CA 1.256 57.641 56.400 -0.025 0.000 0.799 14 E CB -0.048 29.641 29.700 -0.019 0.000 0.748 14 E HN 0.496 nan 8.360 nan 0.000 0.449 15 Q N 0.185 119.970 119.800 -0.025 0.000 2.170 15 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 15 Q C 1.969 177.948 176.000 -0.035 0.000 0.976 15 Q CA 1.576 57.364 55.803 -0.026 0.000 0.858 15 Q CB -0.303 28.422 28.738 -0.020 0.000 0.907 15 Q HN 0.417 nan 8.270 nan 0.000 0.433 16 M N -0.189 119.387 119.600 -0.040 0.000 2.132 16 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 16 M C 1.987 178.241 176.300 -0.077 0.000 1.065 16 M CA 1.610 56.877 55.300 -0.054 0.000 1.122 16 M CB -0.036 32.533 32.600 -0.051 0.000 1.365 16 M HN 0.061 nan 8.290 nan 0.000 0.411 17 K N 0.523 120.881 120.400 -0.070 0.000 2.009 17 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 17 K C 1.804 178.355 176.600 -0.082 0.000 1.049 17 K CA 1.707 57.945 56.287 -0.082 0.000 0.929 17 K CB -0.320 32.146 32.500 -0.057 0.000 0.714 17 K HN 0.439 nan 8.250 nan 0.000 0.440 18 L N 0.618 121.808 121.223 -0.055 0.000 2.083 18 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 18 L C 2.581 179.424 176.870 -0.046 0.000 1.083 18 L CA 1.277 56.092 54.840 -0.042 0.000 0.752 18 L CB -0.414 41.629 42.059 -0.027 0.000 0.899 18 L HN 0.300 nan 8.230 nan 0.000 0.433 19 E N 0.916 121.085 120.200 -0.053 0.000 2.107 19 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 19 E C 2.051 178.606 176.600 -0.075 0.000 0.982 19 E CA 1.207 57.578 56.400 -0.048 0.000 0.809 19 E CB -0.122 29.553 29.700 -0.041 0.000 0.756 19 E HN 0.429 nan 8.360 nan 0.000 0.459 20 I N 0.212 120.697 120.570 -0.143 0.000 2.353 20 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 20 I C 2.292 178.242 176.117 -0.278 0.000 1.119 20 I CA 0.802 61.929 61.300 -0.289 0.000 1.417 20 I CB -0.339 37.403 38.000 -0.429 0.000 1.078 20 I HN 0.181 nan 8.210 nan 0.000 0.421 21 A N 0.397 123.124 122.820 -0.154 0.000 1.902 21 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 21 A C 2.495 180.097 177.584 0.030 0.000 1.181 21 A CA 2.274 54.280 52.037 -0.052 0.000 0.623 21 A CB -0.709 18.272 19.000 -0.031 0.000 0.818 21 A HN 0.388 nan 8.150 nan 0.000 0.443 22 S N -0.082 115.625 115.700 0.013 0.000 2.356 22 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 22 S C 1.792 176.441 174.600 0.081 0.000 1.032 22 S CA 1.527 59.750 58.200 0.039 0.000 1.005 22 S CB -0.408 62.803 63.200 0.019 0.000 0.867 22 S HN 0.715 nan 8.310 nan 0.000 0.449 23 E N 0.062 120.315 120.200 0.088 0.000 2.209 23 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 23 E C 1.286 178.080 176.600 0.324 0.000 0.993 23 E CA 0.923 57.420 56.400 0.162 0.000 0.819 23 E CB -0.157 29.630 29.700 0.144 0.000 0.745 23 E HN 0.409 nan 8.360 nan 0.000 0.477 24 F N -0.511 119.439 119.950 -0.000 0.000 2.664 24 F HA 0.203 4.730 4.527 -0.000 0.000 0.296 24 F C 1.859 177.659 175.800 -0.000 0.000 1.125 24 F CA 0.782 58.782 58.000 -0.000 0.000 1.444 24 F CB 0.241 39.241 39.000 -0.000 0.000 1.114 24 F HN 0.085 nan 8.300 nan 0.000 0.576 25 G N 0.598 109.506 108.800 0.180 0.000 2.159 25 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.256 25 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.256 25 G C 0.238 175.190 174.900 0.087 0.000 0.977 25 G CA 0.328 45.484 45.100 0.094 0.000 0.652 25 G HN 0.552 nan 8.290 nan 0.000 0.531 26 V N -2.015 117.973 119.914 0.123 0.000 2.567 26 V HA 0.788 4.908 4.120 -0.000 0.000 0.289 26 V C 0.151 176.279 176.094 0.058 0.000 1.049 26 V CA -0.467 61.887 62.300 0.091 0.000 0.969 26 V CB 1.964 33.861 31.823 0.123 0.000 0.995 26 V HN 0.414 nan 8.190 nan 0.000 0.471 27 Q N 3.711 123.535 119.800 0.040 0.000 2.431 27 Q HA 0.388 4.728 4.340 -0.000 0.000 0.249 27 Q C -1.097 174.916 176.000 0.021 0.000 1.025 27 Q CA -0.976 54.842 55.803 0.026 0.000 0.835 27 Q CB 1.266 30.016 28.738 0.020 0.000 1.207 27 Q HN 0.822 nan 8.270 nan 0.000 0.490 28 L N 3.171 124.403 121.223 0.016 0.000 2.578 28 L HA 0.316 4.656 4.340 -0.000 0.000 0.279 28 L C 0.747 177.622 176.870 0.008 0.000 1.227 28 L CA 1.477 56.324 54.840 0.010 0.000 0.900 28 L CB 0.397 42.457 42.059 0.001 0.000 1.144 28 L HN 0.794 nan 8.230 nan 0.000 0.496 29 G N 1.659 110.464 108.800 0.009 0.000 2.325 29 G HA2 0.457 4.417 3.960 -0.000 0.000 0.297 29 G HA3 0.457 4.417 3.960 -0.000 0.000 0.297 29 G C 0.232 175.137 174.900 0.007 0.000 1.448 29 G CA -0.109 44.996 45.100 0.007 0.000 0.838 29 G HN 0.684 nan 8.290 nan 0.000 0.579 30 A N -0.326 122.498 122.820 0.006 0.000 1.940 30 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 30 A C 1.692 179.280 177.584 0.007 0.000 1.176 30 A CA 2.219 54.259 52.037 0.006 0.000 0.631 30 A CB -0.239 18.764 19.000 0.004 0.000 0.814 30 A HN 0.520 nan 8.150 nan 0.000 0.446 31 E N 0.219 120.424 120.200 0.007 0.000 2.494 31 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 31 E C -0.133 176.472 176.600 0.009 0.000 1.074 31 E CA 0.190 56.595 56.400 0.007 0.000 0.867 31 E CB -0.244 29.460 29.700 0.006 0.000 0.924 31 E HN 0.450 nan 8.360 nan 0.000 0.502 32 T N 1.440 116.000 114.554 0.011 0.000 2.922 32 T HA 0.182 4.532 4.350 -0.000 0.000 0.285 32 T C 0.451 175.160 174.700 0.015 0.000 1.005 32 T CA -0.436 61.673 62.100 0.015 0.000 1.061 32 T CB 1.380 70.259 68.868 0.019 0.000 1.007 32 T HN 0.169 nan 8.240 nan 0.000 0.502 33 T N -0.138 114.426 114.554 0.016 0.000 2.903 33 T HA 0.071 4.421 4.350 -0.000 0.000 0.314 33 T C 1.729 176.440 174.700 0.018 0.000 1.078 33 T CA -0.106 62.003 62.100 0.015 0.000 1.114 33 T CB 0.554 69.430 68.868 0.014 0.000 0.987 33 T HN 0.602 nan 8.240 nan 0.000 0.548 34 S N 2.007 117.716 115.700 0.015 0.000 2.399 34 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 34 S C 2.034 176.648 174.600 0.023 0.000 1.022 34 S CA 0.852 59.062 58.200 0.017 0.000 0.983 34 S CB -0.618 62.590 63.200 0.013 0.000 0.803 34 S HN 0.868 nan 8.310 nan 0.000 0.480 35 R N 1.571 122.084 120.500 0.022 0.000 2.066 35 R HA 0.045 4.385 4.340 -0.000 0.000 0.232 35 R C 2.491 178.817 176.300 0.043 0.000 1.131 35 R CA 1.316 57.433 56.100 0.028 0.000 0.955 35 R CB -0.916 29.395 30.300 0.019 0.000 0.851 35 R HN 0.467 nan 8.270 nan 0.000 0.432 36 A N 1.495 124.341 122.820 0.043 0.000 1.858 36 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 36 A C 1.884 179.513 177.584 0.076 0.000 1.190 36 A CA 1.714 53.789 52.037 0.064 0.000 0.617 36 A CB -0.778 18.252 19.000 0.050 0.000 0.827 36 A HN 0.469 nan 8.150 nan 0.000 0.443 37 N N 0.038 118.768 118.700 0.049 0.000 2.069 37 N HA -0.147 4.593 4.740 -0.000 0.000 0.191 37 N C 1.894 177.428 175.510 0.039 0.000 1.031 37 N CA 1.595 54.667 53.050 0.038 0.000 0.852 37 N CB -0.799 37.702 38.487 0.023 0.000 1.018 37 N HN 0.498 nan 8.380 nan 0.000 0.423 38 G N 0.832 109.657 108.800 0.041 0.000 2.442 38 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 38 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 38 G C 1.759 176.696 174.900 0.062 0.000 1.141 38 G CA 1.540 46.664 45.100 0.040 0.000 0.763 38 G HN 0.512 nan 8.290 nan 0.000 0.554 39 S N 0.368 116.132 115.700 0.106 0.000 2.383 39 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 39 S C 2.267 176.967 174.600 0.166 0.000 1.030 39 S CA 1.495 59.812 58.200 0.194 0.000 1.002 39 S CB -0.584 62.791 63.200 0.292 0.000 0.829 39 S HN 0.124 nan 8.310 nan 0.000 0.467 40 V N 2.392 122.341 119.914 0.058 0.000 2.343 40 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 40 V C 2.916 178.949 176.094 -0.103 0.000 1.051 40 V CA 1.866 64.085 62.300 -0.135 0.000 1.036 40 V CB -1.674 30.085 31.823 -0.107 0.000 0.654 40 V HN 0.678 nan 8.190 nan 0.000 0.451 41 G N -0.180 108.600 108.800 -0.033 0.000 2.422 41 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 41 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 41 G C 1.576 176.467 174.900 -0.014 0.000 1.140 41 G CA 0.824 45.909 45.100 -0.026 0.000 0.775 41 G HN 0.587 nan 8.290 nan 0.000 0.545 42 G N 0.145 108.953 108.800 0.014 0.000 2.421 42 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 42 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 42 G C 1.622 176.536 174.900 0.024 0.000 1.143 42 G CA 0.770 45.889 45.100 0.032 0.000 0.784 42 G HN 0.326 nan 8.290 nan 0.000 0.541 43 E N 0.442 120.639 120.200 -0.005 0.000 2.072 43 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 43 E C 2.628 179.192 176.600 -0.061 0.000 0.982 43 E CA 0.286 56.662 56.400 -0.039 0.000 0.803 43 E CB -0.147 29.419 29.700 -0.224 0.000 0.755 43 E HN 0.495 nan 8.360 nan 0.000 0.453 44 I N 0.708 121.230 120.570 -0.080 0.000 2.127 44 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 44 I C 2.375 178.473 176.117 -0.032 0.000 1.075 44 I CA 1.461 62.724 61.300 -0.061 0.000 1.334 44 I CB -0.458 37.507 38.000 -0.059 0.000 1.040 44 I HN 0.059 nan 8.210 nan 0.000 0.405 45 T N 0.333 114.875 114.554 -0.020 0.000 2.746 45 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 45 T C 1.915 176.614 174.700 -0.002 0.000 1.039 45 T CA 1.503 63.598 62.100 -0.008 0.000 1.142 45 T CB -0.179 68.689 68.868 -0.002 0.000 0.866 45 T HN 0.301 nan 8.240 nan 0.000 0.444 46 K N 0.914 121.316 120.400 0.004 0.000 2.002 46 K HA -0.092 4.228 4.320 -0.000 0.000 0.209 46 K C 2.518 179.121 176.600 0.006 0.000 1.048 46 K CA 1.225 57.520 56.287 0.012 0.000 0.930 46 K CB -0.057 32.460 32.500 0.028 0.000 0.714 46 K HN 0.185 nan 8.250 nan 0.000 0.438 47 R N 0.456 120.956 120.500 -0.001 0.000 2.081 47 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 47 R C 2.476 178.772 176.300 -0.007 0.000 1.131 47 R CA 1.479 57.576 56.100 -0.005 0.000 0.960 47 R CB -0.392 29.897 30.300 -0.017 0.000 0.856 47 R HN 0.257 nan 8.270 nan 0.000 0.436 48 L N 0.154 121.371 121.223 -0.010 0.000 2.046 48 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 48 L C 2.420 179.287 176.870 -0.004 0.000 1.077 48 L CA 1.038 55.873 54.840 -0.009 0.000 0.747 48 L CB -0.458 41.594 42.059 -0.011 0.000 0.896 48 L HN 0.039 nan 8.230 nan 0.000 0.432 49 V N -0.058 119.855 119.914 -0.002 0.000 2.343 49 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 49 V C 2.684 178.779 176.094 0.002 0.000 1.051 49 V CA 2.002 64.303 62.300 0.001 0.000 1.036 49 V CB -0.671 31.154 31.823 0.003 0.000 0.654 49 V HN 0.473 nan 8.190 nan 0.000 0.451 50 R N 0.021 120.523 120.500 0.003 0.000 2.070 50 R HA -0.135 4.205 4.340 -0.000 0.000 0.233 50 R C 2.316 178.617 176.300 0.002 0.000 1.137 50 R CA 1.734 57.837 56.100 0.005 0.000 0.945 50 R CB -0.362 29.943 30.300 0.007 0.000 0.845 50 R HN 0.445 nan 8.270 nan 0.000 0.430 51 L N 0.541 121.764 121.223 0.001 0.000 2.079 51 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 51 L C 2.778 179.647 176.870 -0.001 0.000 1.081 51 L CA 1.327 56.166 54.840 -0.001 0.000 0.752 51 L CB -0.614 41.443 42.059 -0.003 0.000 0.896 51 L HN 0.379 nan 8.230 nan 0.000 0.433 52 A N -0.254 122.565 122.820 -0.001 0.000 1.858 52 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 52 A C 2.238 179.822 177.584 0.000 0.000 1.190 52 A CA 1.529 53.565 52.037 -0.001 0.000 0.617 52 A CB -0.500 18.500 19.000 -0.001 0.000 0.827 52 A HN 0.465 nan 8.150 nan 0.000 0.443 53 Q N -0.587 119.214 119.800 0.001 0.000 2.096 53 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 53 Q C 2.356 178.357 176.000 0.002 0.000 0.982 53 Q CA 1.785 57.589 55.803 0.002 0.000 0.850 53 Q CB -0.252 28.488 28.738 0.003 0.000 0.901 53 Q HN 0.769 nan 8.270 nan 0.000 0.422 54 Q N 0.778 120.579 119.800 0.002 0.000 1.967 54 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 54 Q C 0.513 176.513 176.000 0.001 0.000 0.985 54 Q CA 1.086 56.890 55.803 0.002 0.000 0.839 54 Q CB -0.114 28.625 28.738 0.002 0.000 0.906 54 Q HN 0.304 nan 8.270 nan 0.000 0.423 55 N N -0.104 118.596 118.700 0.000 0.000 3.210 55 N HA 0.074 4.814 4.740 -0.000 0.000 0.314 55 N C 0.336 175.846 175.510 -0.000 0.000 1.291 55 N CA 0.370 53.420 53.050 -0.000 0.000 1.202 55 N CB 0.302 38.788 38.487 -0.001 0.000 1.475 55 N HN 0.315 nan 8.380 nan 0.000 0.554 56 M N -2.575 117.025 119.600 0.000 0.000 1.498 56 M HA 0.158 4.638 4.480 -0.000 0.000 0.195 56 M C -0.399 175.901 176.300 0.001 0.000 0.960 56 M CA 0.138 55.439 55.300 0.000 0.000 0.809 56 M CB 0.287 32.887 32.600 0.000 0.000 1.719 56 M HN 0.221 nan 8.290 nan 0.000 0.655 57 G N 0.000 108.801 108.800 0.001 0.000 0.000 57 G HA2 0.000 3.960 3.960 -0.000 0.000 0.000 57 G HA3 0.000 3.960 3.960 -0.000 0.000 0.000 57 G CA 0.000 45.101 45.100 0.001 0.000 0.000 57 G HN 0.000 nan 8.290 nan 0.000 0.000