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_C 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 K N 0.819 121.215 120.400 -0.006 0.000 2.440 3 K HA 0.430 4.750 4.320 -0.000 0.000 0.270 3 K C -0.298 176.299 176.600 -0.006 0.000 0.980 3 K CA 0.270 56.554 56.287 -0.006 0.000 0.953 3 K CB 0.283 32.780 32.500 -0.005 0.000 0.925 3 K HN 0.491 nan 8.250 nan 0.000 0.497 4 L N 3.374 124.594 121.223 -0.005 0.000 2.298 4 L HA 0.216 4.556 4.340 -0.000 0.000 0.268 4 L C 1.293 178.160 176.870 -0.004 0.000 1.010 4 L CA -1.261 53.576 54.840 -0.005 0.000 0.812 4 L CB 0.610 42.666 42.059 -0.005 0.000 1.331 4 L HN 0.560 nan 8.230 nan 0.000 0.450 5 L N 0.707 121.927 121.223 -0.004 0.000 2.056 5 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 5 L C 0.629 177.497 176.870 -0.003 0.000 1.078 5 L CA 1.807 56.645 54.840 -0.003 0.000 0.749 5 L CB -0.602 41.456 42.059 -0.003 0.000 0.901 5 L HN 0.425 nan 8.230 nan 0.000 0.433 6 I N 0.900 121.469 120.570 -0.003 0.000 2.437 6 I HA 0.194 4.364 4.170 -0.000 0.000 0.279 6 I C -1.300 174.815 176.117 -0.002 0.000 1.028 6 I CA -1.528 59.770 61.300 -0.002 0.000 1.142 6 I CB 1.417 39.416 38.000 -0.002 0.000 1.266 6 I HN -0.127 nan 8.210 nan 0.000 0.461 7 P HA -0.209 nan 4.420 nan 0.000 0.218 7 P C 0.987 178.286 177.300 -0.002 0.000 1.148 7 P CA 1.310 64.408 63.100 -0.002 0.000 0.822 7 P CB 0.392 32.091 31.700 -0.002 0.000 0.784 8 Q N 0.152 119.952 119.800 -0.001 0.000 2.368 8 Q HA -0.025 4.315 4.340 -0.000 0.000 0.210 8 Q C 2.157 178.157 176.000 -0.001 0.000 0.982 8 Q CA 1.594 57.397 55.803 -0.001 0.000 0.884 8 Q CB -1.180 27.558 28.738 -0.001 0.000 0.933 8 Q HN 0.313 nan 8.270 nan 0.000 0.460 9 A N -0.274 122.545 122.820 -0.001 0.000 2.251 9 A HA 0.340 4.660 4.320 -0.000 0.000 0.209 9 A C 2.041 179.624 177.584 -0.002 0.000 1.187 9 A CA 0.688 52.724 52.037 -0.001 0.000 0.823 9 A CB -0.390 18.609 19.000 -0.001 0.000 0.846 9 A HN 0.309 nan 8.150 nan 0.000 0.486 10 A N 0.109 122.928 122.820 -0.002 0.000 1.903 10 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 10 A C 2.474 180.057 177.584 -0.002 0.000 1.191 10 A CA 2.371 54.407 52.037 -0.002 0.000 0.638 10 A CB -1.027 17.971 19.000 -0.002 0.000 0.823 10 A HN 0.629 nan 8.150 nan 0.000 0.451 11 S N -0.699 115.001 115.700 -0.001 0.000 2.348 11 S HA -0.048 4.422 4.470 -0.000 0.000 0.221 11 S C 2.194 176.795 174.600 0.001 0.000 1.033 11 S CA 1.782 59.982 58.200 0.000 0.000 1.010 11 S CB -0.656 62.545 63.200 0.001 0.000 0.891 11 S HN 0.957 nan 8.310 nan 0.000 0.442 12 A N 2.679 125.499 122.820 0.001 0.000 1.842 12 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 12 A C 2.242 179.827 177.584 0.001 0.000 1.206 12 A CA 2.090 54.128 52.037 0.002 0.000 0.630 12 A CB -1.437 17.563 19.000 0.001 0.000 0.839 12 A HN 0.890 nan 8.150 nan 0.000 0.447 13 I N -2.126 118.444 120.570 -0.000 0.000 2.248 13 I HA -0.281 3.888 4.170 -0.000 0.000 0.248 13 I C 2.145 178.261 176.117 -0.002 0.000 1.107 13 I CA 2.663 63.962 61.300 -0.002 0.000 1.373 13 I CB -0.654 37.343 38.000 -0.005 0.000 1.055 13 I HN 0.376 nan 8.210 nan 0.000 0.418 14 E N 1.433 121.632 120.200 -0.001 0.000 2.097 14 E HA -0.268 4.081 4.350 -0.000 0.000 0.196 14 E C 2.176 178.777 176.600 0.002 0.000 1.000 14 E CA 1.949 58.348 56.400 -0.001 0.000 0.804 14 E CB -0.201 29.499 29.700 -0.000 0.000 0.740 14 E HN 0.645 nan 8.360 nan 0.000 0.454 15 Q N -0.258 119.544 119.800 0.004 0.000 2.049 15 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 15 Q C 2.361 178.366 176.000 0.009 0.000 0.971 15 Q CA 1.657 57.464 55.803 0.007 0.000 0.833 15 Q CB -0.693 28.049 28.738 0.007 0.000 0.896 15 Q HN 0.447 nan 8.270 nan 0.000 0.434 16 M N 0.710 120.315 119.600 0.009 0.000 2.213 16 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 16 M C 2.114 178.421 176.300 0.011 0.000 1.062 16 M CA 1.422 56.730 55.300 0.012 0.000 1.105 16 M CB 0.037 32.642 32.600 0.009 0.000 1.385 16 M HN 0.086 nan 8.290 nan 0.000 0.417 17 K N 0.582 120.984 120.400 0.003 0.000 1.985 17 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 17 K C 1.763 178.366 176.600 0.006 0.000 1.047 17 K CA 1.704 57.989 56.287 -0.003 0.000 0.932 17 K CB -0.330 32.165 32.500 -0.008 0.000 0.716 17 K HN 0.401 nan 8.250 nan 0.000 0.439 18 L N 0.913 122.142 121.223 0.010 0.000 2.127 18 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 18 L C 2.617 179.504 176.870 0.028 0.000 1.089 18 L CA 1.404 56.254 54.840 0.016 0.000 0.757 18 L CB -0.542 41.525 42.059 0.013 0.000 0.899 18 L HN 0.392 nan 8.230 nan 0.000 0.434 19 E N 1.350 121.568 120.200 0.030 0.000 2.023 19 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 19 E C 2.018 178.660 176.600 0.069 0.000 1.003 19 E CA 1.771 58.196 56.400 0.041 0.000 0.809 19 E CB -0.331 29.391 29.700 0.036 0.000 0.755 19 E HN 0.438 nan 8.360 nan 0.000 0.449 20 I N 0.730 121.346 120.570 0.077 0.000 2.286 20 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 20 I C 2.475 178.691 176.117 0.165 0.000 1.115 20 I CA 0.860 62.244 61.300 0.140 0.000 1.392 20 I CB -0.625 37.412 38.000 0.061 0.000 1.065 20 I HN 0.242 nan 8.210 nan 0.000 0.418 21 A N 1.567 124.434 122.820 0.077 0.000 1.859 21 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 21 A C 2.560 180.211 177.584 0.110 0.000 1.209 21 A CA 3.033 55.111 52.037 0.069 0.000 0.639 21 A CB -1.204 17.816 19.000 0.033 0.000 0.835 21 A HN 0.534 nan 8.150 nan 0.000 0.450 22 S N -0.057 115.692 115.700 0.083 0.000 2.382 22 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 22 S C 1.660 176.310 174.600 0.083 0.000 1.027 22 S CA 1.499 59.740 58.200 0.069 0.000 0.991 22 S CB -0.622 62.604 63.200 0.044 0.000 0.823 22 S HN 0.680 nan 8.310 nan 0.000 0.469 23 E N 0.559 120.829 120.200 0.117 0.000 2.058 23 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 23 E C 1.424 178.041 176.600 0.028 0.000 0.997 23 E CA 1.469 57.915 56.400 0.076 0.000 0.801 23 E CB -0.298 29.478 29.700 0.127 0.000 0.746 23 E HN 0.638 nan 8.360 nan 0.000 0.450 24 F N -0.429 119.521 119.950 -0.000 0.000 2.743 24 F HA 0.207 4.734 4.527 -0.000 0.000 0.297 24 F C 1.317 177.117 175.800 -0.000 0.000 1.131 24 F CA 0.706 58.706 58.000 -0.000 0.000 1.426 24 F CB 0.499 39.499 39.000 -0.000 0.000 1.116 24 F HN 0.025 nan 8.300 nan 0.000 0.583 25 G N 1.627 110.522 108.800 0.159 0.000 2.353 25 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.294 25 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.294 25 G C -0.573 174.381 174.900 0.089 0.000 1.077 25 G CA 0.248 45.403 45.100 0.090 0.000 1.098 25 G HN 0.369 nan 8.290 nan 0.000 0.511 26 V N 0.014 119.982 119.914 0.089 0.000 2.735 26 V HA 0.791 4.911 4.120 -0.000 0.000 0.310 26 V C 0.047 176.160 176.094 0.032 0.000 1.061 26 V CA -0.689 61.644 62.300 0.055 0.000 0.913 26 V CB 2.002 33.852 31.823 0.044 0.000 1.005 26 V HN 0.563 nan 8.190 nan 0.000 0.428 27 Q N 5.570 125.382 119.800 0.020 0.000 2.466 27 Q HA 0.442 4.782 4.340 -0.000 0.000 0.242 27 Q C -0.936 175.067 176.000 0.004 0.000 1.046 27 Q CA -0.573 55.238 55.803 0.013 0.000 0.841 27 Q CB 1.004 29.749 28.738 0.012 0.000 1.193 27 Q HN 0.836 nan 8.270 nan 0.000 0.508 28 L N 4.051 125.274 121.223 0.000 0.000 2.704 28 L HA 0.216 4.556 4.340 -0.000 0.000 0.279 28 L C 0.491 177.358 176.870 -0.005 0.000 1.147 28 L CA 0.164 54.999 54.840 -0.007 0.000 0.994 28 L CB -0.322 41.731 42.059 -0.010 0.000 1.332 28 L HN 0.687 nan 8.230 nan 0.000 0.471 29 G N 1.137 109.934 108.800 -0.005 0.000 2.742 29 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 29 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 29 G C 0.335 175.232 174.900 -0.004 0.000 1.436 29 G CA -0.035 45.063 45.100 -0.003 0.000 0.928 29 G HN 0.441 nan 8.290 nan 0.000 0.520 30 A N 0.128 122.945 122.820 -0.004 0.000 2.131 30 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 30 A C 1.566 179.149 177.584 -0.003 0.000 1.158 30 A CA 1.787 53.822 52.037 -0.004 0.000 0.665 30 A CB -0.242 18.756 19.000 -0.004 0.000 0.795 30 A HN 0.701 nan 8.150 nan 0.000 0.460 31 E N -0.249 119.951 120.200 -0.001 0.000 2.489 31 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 31 E C -0.190 176.410 176.600 0.001 0.000 1.057 31 E CA 0.205 56.605 56.400 -0.000 0.000 0.866 31 E CB 0.096 29.797 29.700 0.001 0.000 0.916 31 E HN 0.506 nan 8.360 nan 0.000 0.500 32 T N 0.899 115.453 114.554 -0.001 0.000 2.952 32 T HA 0.223 4.573 4.350 -0.000 0.000 0.286 32 T C 0.484 175.183 174.700 -0.002 0.000 1.024 32 T CA -0.816 61.284 62.100 0.000 0.000 1.029 32 T CB 1.635 70.503 68.868 -0.000 0.000 1.094 32 T HN 0.100 nan 8.240 nan 0.000 0.515 33 T N -0.504 114.050 114.554 -0.000 0.000 2.748 33 T HA 0.144 4.494 4.350 -0.000 0.000 0.304 33 T C 1.401 176.096 174.700 -0.007 0.000 1.041 33 T CA -0.454 61.645 62.100 -0.002 0.000 1.033 33 T CB 0.290 69.159 68.868 0.001 0.000 0.995 33 T HN 0.358 nan 8.240 nan 0.000 0.536 34 S N -0.170 115.525 115.700 -0.008 0.000 2.377 34 S HA -0.003 4.467 4.470 -0.000 0.000 0.223 34 S C 2.003 176.592 174.600 -0.018 0.000 1.030 34 S CA 0.630 58.822 58.200 -0.013 0.000 0.970 34 S CB -0.461 62.732 63.200 -0.011 0.000 0.830 34 S HN 0.771 nan 8.310 nan 0.000 0.473 35 R N 1.126 121.619 120.500 -0.012 0.000 2.293 35 R HA -0.023 4.317 4.340 -0.000 0.000 0.219 35 R C 1.826 178.114 176.300 -0.020 0.000 1.091 35 R CA 1.022 57.114 56.100 -0.014 0.000 1.004 35 R CB -0.192 30.107 30.300 -0.001 0.000 0.865 35 R HN 0.402 nan 8.270 nan 0.000 0.469 36 A N 0.388 123.198 122.820 -0.017 0.000 1.887 36 A HA 0.019 4.339 4.320 -0.000 0.000 0.210 36 A C 1.608 179.166 177.584 -0.044 0.000 1.221 36 A CA 0.563 52.589 52.037 -0.019 0.000 0.635 36 A CB -0.212 18.787 19.000 -0.001 0.000 0.881 36 A HN 0.311 nan 8.150 nan 0.000 0.456 37 N N 0.462 119.141 118.700 -0.036 0.000 2.309 37 N HA -0.093 4.647 4.740 -0.000 0.000 0.182 37 N C 1.683 177.156 175.510 -0.061 0.000 1.018 37 N CA 1.290 54.315 53.050 -0.043 0.000 0.876 37 N CB -0.280 38.190 38.487 -0.029 0.000 0.972 37 N HN 0.494 nan 8.380 nan 0.000 0.434 38 G N 0.588 109.351 108.800 -0.061 0.000 2.453 38 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.215 38 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.215 38 G C 1.670 176.503 174.900 -0.111 0.000 1.147 38 G CA 0.881 45.939 45.100 -0.070 0.000 0.802 38 G HN 0.443 nan 8.290 nan 0.000 0.535 39 S N 0.632 116.247 115.700 -0.142 0.000 2.400 39 S HA -0.127 4.343 4.470 -0.000 0.000 0.232 39 S C 2.238 176.612 174.600 -0.377 0.000 1.025 39 S CA 1.422 59.472 58.200 -0.251 0.000 0.993 39 S CB -0.465 62.572 63.200 -0.272 0.000 0.808 39 S HN 0.104 nan 8.310 nan 0.000 0.478 40 V N 2.432 122.176 119.914 -0.284 0.000 2.244 40 V HA 0.001 4.121 4.120 -0.000 0.000 0.244 40 V C 2.993 178.983 176.094 -0.173 0.000 1.042 40 V CA 1.826 63.975 62.300 -0.252 0.000 1.006 40 V CB -1.745 29.992 31.823 -0.144 0.000 0.641 40 V HN 0.625 nan 8.190 nan 0.000 0.446 41 G N -0.027 108.702 108.800 -0.119 0.000 2.462 41 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 41 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 41 G C 1.554 176.404 174.900 -0.084 0.000 1.121 41 G CA 1.029 46.081 45.100 -0.082 0.000 0.758 41 G HN 0.609 nan 8.290 nan 0.000 0.559 42 G N 0.102 108.835 108.800 -0.112 0.000 2.402 42 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 42 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 42 G C 1.631 176.478 174.900 -0.088 0.000 1.162 42 G CA 0.828 45.872 45.100 -0.094 0.000 0.777 42 G HN 0.351 nan 8.290 nan 0.000 0.539 43 E N 0.317 120.433 120.200 -0.140 0.000 2.152 43 E HA 0.013 4.362 4.350 -0.000 0.000 0.192 43 E C 2.626 179.203 176.600 -0.039 0.000 0.983 43 E CA 0.219 56.568 56.400 -0.084 0.000 0.818 43 E CB -0.086 29.533 29.700 -0.136 0.000 0.758 43 E HN 0.501 nan 8.360 nan 0.000 0.467 44 I N 0.531 121.069 120.570 -0.054 0.000 2.179 44 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 44 I C 2.335 178.441 176.117 -0.019 0.000 1.088 44 I CA 1.277 62.559 61.300 -0.029 0.000 1.357 44 I CB -0.407 37.572 38.000 -0.034 0.000 1.051 44 I HN 0.043 nan 8.210 nan 0.000 0.409 45 T N 0.445 114.984 114.554 -0.025 0.000 2.737 45 T HA -0.216 4.134 4.350 -0.000 0.000 0.265 45 T C 1.946 176.641 174.700 -0.008 0.000 1.038 45 T CA 1.338 63.428 62.100 -0.016 0.000 1.144 45 T CB -0.192 68.665 68.868 -0.019 0.000 0.866 45 T HN 0.278 nan 8.240 nan 0.000 0.434 46 K N 0.857 121.252 120.400 -0.008 0.000 2.074 46 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 46 K C 2.428 179.033 176.600 0.010 0.000 1.048 46 K CA 1.292 57.582 56.287 0.004 0.000 0.926 46 K CB -0.020 32.486 32.500 0.011 0.000 0.713 46 K HN 0.248 nan 8.250 nan 0.000 0.444 47 R N 0.220 120.726 120.500 0.010 0.000 2.075 47 R HA 0.001 4.341 4.340 -0.000 0.000 0.226 47 R C 2.488 178.793 176.300 0.009 0.000 1.114 47 R CA 1.041 57.149 56.100 0.014 0.000 0.972 47 R CB -0.286 30.025 30.300 0.019 0.000 0.869 47 R HN 0.189 nan 8.270 nan 0.000 0.437 48 L N 0.445 121.671 121.223 0.004 0.000 2.042 48 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 48 L C 2.381 179.252 176.870 0.003 0.000 1.076 48 L CA 1.160 56.001 54.840 0.002 0.000 0.749 48 L CB -0.486 41.572 42.059 -0.001 0.000 0.893 48 L HN 0.053 nan 8.230 nan 0.000 0.432 49 V N -0.169 119.746 119.914 0.002 0.000 2.261 49 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 49 V C 2.640 178.737 176.094 0.005 0.000 1.047 49 V CA 2.078 64.380 62.300 0.003 0.000 1.015 49 V CB -0.668 31.157 31.823 0.002 0.000 0.642 49 V HN 0.464 nan 8.190 nan 0.000 0.446 50 R N -0.028 120.476 120.500 0.007 0.000 2.103 50 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 50 R C 2.204 178.508 176.300 0.008 0.000 1.142 50 R CA 1.811 57.916 56.100 0.009 0.000 0.960 50 R CB -0.367 29.941 30.300 0.013 0.000 0.858 50 R HN 0.479 nan 8.270 nan 0.000 0.439 51 L N -0.084 121.144 121.223 0.007 0.000 2.027 51 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 51 L C 2.753 179.626 176.870 0.005 0.000 1.074 51 L CA 1.246 56.090 54.840 0.006 0.000 0.745 51 L CB -0.657 41.406 42.059 0.006 0.000 0.898 51 L HN 0.343 nan 8.230 nan 0.000 0.433 52 A N -0.467 122.356 122.820 0.004 0.000 1.940 52 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 52 A C 2.207 179.793 177.584 0.003 0.000 1.176 52 A CA 1.562 53.601 52.037 0.003 0.000 0.631 52 A CB -0.487 18.514 19.000 0.002 0.000 0.814 52 A HN 0.493 nan 8.150 nan 0.000 0.446 53 Q N -0.950 118.852 119.800 0.004 0.000 2.291 53 Q HA -0.170 4.170 4.340 -0.000 0.000 0.205 53 Q C 2.164 178.166 176.000 0.004 0.000 0.970 53 Q CA 1.285 57.090 55.803 0.004 0.000 0.876 53 Q CB -0.090 28.650 28.738 0.004 0.000 0.935 53 Q HN 0.789 nan 8.270 nan 0.000 0.455 54 Q N 0.248 120.051 119.800 0.004 0.000 2.096 54 Q HA -0.040 4.300 4.340 -0.000 0.000 0.197 54 Q C 0.657 176.659 176.000 0.003 0.000 0.964 54 Q CA 0.644 56.449 55.803 0.004 0.000 0.838 54 Q CB 0.267 29.008 28.738 0.005 0.000 0.906 54 Q HN 0.306 nan 8.270 nan 0.000 0.444 55 N N -0.329 118.373 118.700 0.003 0.000 2.509 55 N HA 0.097 4.837 4.740 -0.000 0.000 0.239 55 N C 0.377 175.888 175.510 0.002 0.000 1.215 55 N CA 0.573 53.625 53.050 0.003 0.000 0.882 55 N CB 0.457 38.946 38.487 0.002 0.000 1.189 55 N HN 0.316 nan 8.380 nan 0.000 0.490 56 M N -2.025 117.576 119.600 0.002 0.000 1.968 56 M HA 0.145 4.624 4.480 -0.000 0.000 0.349 56 M C 1.002 177.303 176.300 0.002 0.000 0.870 56 M CA -0.072 55.229 55.300 0.002 0.000 1.157 56 M CB 0.868 33.469 32.600 0.002 0.000 2.210 56 M HN 0.061 nan 8.290 nan 0.000 0.760 57 G N 0.000 108.801 108.800 0.002 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 0.002 0.000 0.000 57 G HN 0.000 nan 8.290 nan 0.000 0.000