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 1l2w_1_J DATA FIRST_RESID 23 DATA SEQUENCE VGEMSGRSVS QQTSDQYANN LAGRTESPQG SSLASRIIER LSSVAHSVIG DATA SEQUENCE FIQRMF 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.096 176.094 0.003 0.000 1.182 23 V CA 0.000 62.302 62.300 0.003 0.000 1.235 23 V CB 0.000 31.825 31.823 0.003 0.000 1.184 24 G N 2.448 111.250 108.800 0.003 0.000 2.532 24 G HA2 0.791 4.752 3.960 0.001 0.000 0.291 24 G HA3 0.791 4.752 3.960 0.001 0.000 0.291 24 G C -0.839 174.062 174.900 0.003 0.000 1.349 24 G CA -0.206 44.896 45.100 0.003 0.000 1.038 24 G HN 0.748 nan 8.290 nan 0.000 0.518 25 E N -1.262 118.939 120.200 0.003 0.000 2.352 25 E HA 0.417 4.768 4.350 0.001 0.000 0.280 25 E C -1.705 174.897 176.600 0.003 0.000 0.930 25 E CA -0.670 55.732 56.400 0.003 0.000 0.765 25 E CB 2.055 31.757 29.700 0.003 0.000 1.219 25 E HN 0.402 nan 8.360 nan 0.000 0.434 26 M N 3.687 123.289 119.600 0.003 0.000 1.980 26 M HA 0.230 4.711 4.480 0.001 0.000 0.282 26 M C -0.893 175.409 176.300 0.003 0.000 0.878 26 M CA -0.088 55.214 55.300 0.003 0.000 0.900 26 M CB 0.601 33.203 32.600 0.004 0.000 1.577 26 M HN 0.560 nan 8.290 nan 0.000 0.396 27 S N 2.815 118.517 115.700 0.003 0.000 3.614 27 S HA -0.167 4.303 4.470 0.001 0.000 0.360 27 S C 0.908 175.510 174.600 0.003 0.000 1.023 27 S CA 1.188 59.390 58.200 0.003 0.000 1.114 27 S CB -1.851 61.350 63.200 0.003 0.000 0.907 27 S HN 1.403 nan 8.310 nan 0.000 0.470 28 G N -0.160 108.642 108.800 0.003 0.000 2.238 28 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 28 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 28 G C -0.120 174.782 174.900 0.003 0.000 0.996 28 G CA -0.057 45.045 45.100 0.003 0.000 0.632 28 G HN 0.709 nan 8.290 nan 0.000 0.503 29 R N 0.992 121.494 120.500 0.003 0.000 2.349 29 R HA 0.610 4.951 4.340 0.001 0.000 0.299 29 R C 0.309 176.611 176.300 0.004 0.000 1.027 29 R CA 0.170 56.272 56.100 0.004 0.000 0.958 29 R CB 1.549 31.851 30.300 0.004 0.000 1.047 29 R HN 0.186 nan 8.270 nan 0.000 0.468 30 S N 1.498 117.200 115.700 0.004 0.000 2.564 30 S HA 0.271 4.742 4.470 0.001 0.000 0.278 30 S C -0.201 174.401 174.600 0.004 0.000 1.333 30 S CA -0.517 57.685 58.200 0.004 0.000 1.048 30 S CB 0.591 63.793 63.200 0.004 0.000 0.900 30 S HN 0.312 nan 8.310 nan 0.000 0.505 31 V N 3.869 123.785 119.914 0.004 0.000 2.789 31 V HA 0.812 4.932 4.120 0.001 0.000 0.311 31 V C -0.483 175.614 176.094 0.004 0.000 1.073 31 V CA -0.613 61.689 62.300 0.004 0.000 0.921 31 V CB 2.049 33.875 31.823 0.004 0.000 1.009 31 V HN 1.053 nan 8.190 nan 0.000 0.426 32 S N 2.553 118.256 115.700 0.005 0.000 2.547 32 S HA 0.589 5.059 4.470 0.001 0.000 0.270 32 S C -1.150 173.453 174.600 0.005 0.000 1.150 32 S CA -0.830 57.373 58.200 0.005 0.000 0.850 32 S CB 1.884 65.087 63.200 0.005 0.000 1.118 32 S HN 0.785 nan 8.310 nan 0.000 0.461 33 Q N 0.661 120.464 119.800 0.005 0.000 2.299 33 Q HA 0.496 4.836 4.340 0.001 0.000 0.246 33 Q C -0.822 175.181 176.000 0.006 0.000 0.935 33 Q CA -0.305 55.501 55.803 0.005 0.000 0.887 33 Q CB 1.002 29.742 28.738 0.004 0.000 1.223 33 Q HN 0.741 nan 8.270 nan 0.000 0.439 34 Q N 1.840 121.644 119.800 0.007 0.000 2.331 34 Q HA 0.311 4.652 4.340 0.001 0.000 0.272 34 Q C -1.384 174.621 176.000 0.009 0.000 1.062 34 Q CA -0.640 55.168 55.803 0.009 0.000 0.806 34 Q CB 2.185 30.930 28.738 0.011 0.000 1.312 34 Q HN 0.691 nan 8.270 nan 0.000 0.431 35 T N 2.479 117.038 114.554 0.009 0.000 2.853 35 T HA 0.123 4.473 4.350 0.001 0.000 0.298 35 T C -0.073 174.635 174.700 0.013 0.000 0.978 35 T CA 0.214 62.320 62.100 0.009 0.000 1.152 35 T CB 0.638 69.511 68.868 0.009 0.000 0.914 35 T HN 0.481 nan 8.240 nan 0.000 0.539 36 S N 3.252 118.958 115.700 0.010 0.000 2.549 36 S HA 0.180 4.650 4.470 0.001 0.000 0.283 36 S C 0.547 175.158 174.600 0.019 0.000 1.320 36 S CA -0.877 57.331 58.200 0.013 0.000 1.058 36 S CB 0.329 63.531 63.200 0.002 0.000 0.882 36 S HN 0.833 nan 8.310 nan 0.000 0.498 37 D N 1.122 121.543 120.400 0.034 0.000 2.451 37 D HA 0.127 4.767 4.640 0.001 0.000 0.259 37 D C 1.095 177.423 176.300 0.047 0.000 1.201 37 D CA -0.589 53.438 54.000 0.046 0.000 1.028 37 D CB 0.182 41.022 40.800 0.067 0.000 1.095 37 D HN 0.499 nan 8.370 nan 0.000 0.539 38 Q N -1.212 118.623 119.800 0.059 0.000 2.096 38 Q HA -0.258 4.082 4.340 0.001 0.000 0.204 38 Q C 1.729 177.774 176.000 0.074 0.000 0.982 38 Q CA 1.248 57.084 55.803 0.056 0.000 0.850 38 Q CB -0.333 28.441 28.738 0.060 0.000 0.901 38 Q HN 0.657 nan 8.270 nan 0.000 0.422 39 Y N 0.183 120.484 120.300 0.001 0.000 2.242 39 Y HA -0.149 4.402 4.550 0.000 0.000 0.291 39 Y C 1.963 177.864 175.900 0.002 0.000 1.137 39 Y CA 1.468 59.569 58.100 0.001 0.000 1.181 39 Y CB -0.502 37.959 38.460 0.001 0.000 0.989 39 Y HN 0.207 nan 8.280 nan 0.000 0.527 40 A N 0.518 123.277 122.820 -0.101 0.000 1.873 40 A HA -0.189 4.132 4.320 0.001 0.000 0.215 40 A C 2.166 179.652 177.584 -0.163 0.000 1.186 40 A CA 1.681 53.616 52.037 -0.171 0.000 0.616 40 A CB -0.822 18.163 19.000 -0.025 0.000 0.823 40 A HN 0.586 nan 8.150 nan 0.000 0.442 41 N N 0.017 118.663 118.700 -0.089 0.000 2.149 41 N HA -0.186 4.554 4.740 0.001 0.000 0.188 41 N C 1.641 177.096 175.510 -0.092 0.000 1.019 41 N CA 1.713 54.722 53.050 -0.069 0.000 0.857 41 N CB -0.387 38.081 38.487 -0.033 0.000 0.997 41 N HN 0.660 nan 8.380 nan 0.000 0.426 42 N N 0.693 119.321 118.700 -0.121 0.000 2.250 42 N HA -0.062 4.679 4.740 0.001 0.000 0.181 42 N C 1.643 177.052 175.510 -0.168 0.000 1.017 42 N CA 0.310 53.292 53.050 -0.114 0.000 0.866 42 N CB -0.162 38.278 38.487 -0.078 0.000 0.985 42 N HN 0.037 nan 8.380 nan 0.000 0.429 43 L N 0.514 121.551 121.223 -0.311 0.000 2.093 43 L HA 0.173 4.513 4.340 0.001 0.000 0.208 43 L C 2.046 178.814 176.870 -0.170 0.000 1.085 43 L CA 1.654 56.312 54.840 -0.303 0.000 0.755 43 L CB -1.045 40.700 42.059 -0.524 0.000 0.904 43 L HN 0.212 nan 8.230 nan 0.000 0.435 44 A N -0.662 122.068 122.820 -0.149 0.000 1.978 44 A HA -0.071 4.250 4.320 0.001 0.000 0.220 44 A C 2.072 179.617 177.584 -0.064 0.000 1.170 44 A CA 1.478 53.461 52.037 -0.089 0.000 0.636 44 A CB -1.267 17.689 19.000 -0.073 0.000 0.810 44 A HN 0.523 nan 8.150 nan 0.000 0.448 45 G N -1.284 107.478 108.800 -0.064 0.000 3.284 45 G HA2 0.238 4.198 3.960 0.001 0.000 0.236 45 G HA3 0.238 4.198 3.960 0.001 0.000 0.236 45 G C 0.578 175.455 174.900 -0.038 0.000 1.158 45 G CA -0.199 44.876 45.100 -0.043 0.000 0.774 45 G HN 0.520 nan 8.290 nan 0.000 0.545 46 R N 1.496 121.967 120.500 -0.047 0.000 2.504 46 R HA 0.199 4.540 4.340 0.001 0.000 0.291 46 R C -0.006 176.281 176.300 -0.022 0.000 0.974 46 R CA 0.889 56.967 56.100 -0.035 0.000 1.077 46 R CB 0.140 30.416 30.300 -0.040 0.000 0.926 46 R HN 0.224 nan 8.270 nan 0.000 0.407 47 T N 0.527 115.072 114.554 -0.015 0.000 2.916 47 T HA 0.443 4.793 4.350 0.001 0.000 0.292 47 T C -0.734 173.963 174.700 -0.005 0.000 1.064 47 T CA -0.993 61.102 62.100 -0.009 0.000 1.011 47 T CB 2.045 70.909 68.868 -0.008 0.000 1.152 47 T HN 0.647 nan 8.240 nan 0.000 0.510 48 E N 0.836 121.035 120.200 -0.003 0.000 2.275 48 E HA 0.481 4.831 4.350 0.001 0.000 0.270 48 E C -0.591 176.009 176.600 0.000 0.000 0.882 48 E CA -0.798 55.602 56.400 -0.000 0.000 0.758 48 E CB 1.808 31.509 29.700 0.001 0.000 1.195 48 E HN 0.880 nan 8.360 nan 0.000 0.419 49 S N 3.551 119.252 115.700 0.001 0.000 2.549 49 S HA 0.265 4.736 4.470 0.001 0.000 0.286 49 S C -2.029 172.572 174.600 0.002 0.000 1.314 49 S CA -1.104 57.097 58.200 0.001 0.000 1.062 49 S CB 0.248 63.449 63.200 0.002 0.000 0.865 49 S HN 0.298 nan 8.310 nan 0.000 0.498 50 P HA 0.244 nan 4.420 nan 0.000 0.272 50 P C -0.595 176.706 177.300 0.002 0.000 1.240 50 P CA -0.540 62.560 63.100 0.002 0.000 0.791 50 P CB 0.382 32.083 31.700 0.001 0.000 0.978 51 Q N 0.126 119.928 119.800 0.002 0.000 2.306 51 Q HA 0.531 4.871 4.340 0.001 0.000 0.265 51 Q C 0.098 176.099 176.000 0.002 0.000 1.022 51 Q CA -0.904 54.901 55.803 0.002 0.000 0.853 51 Q CB 1.278 30.018 28.738 0.003 0.000 1.327 51 Q HN 0.634 nan 8.270 nan 0.000 0.449 52 G N 1.335 110.136 108.800 0.002 0.000 2.664 52 G HA2 0.126 4.087 3.960 0.001 0.000 0.242 52 G HA3 0.126 4.087 3.960 0.001 0.000 0.242 52 G C -0.076 174.825 174.900 0.002 0.000 1.225 52 G CA 0.003 45.104 45.100 0.002 0.000 0.849 52 G HN 0.718 nan 8.290 nan 0.000 0.581 53 S N -1.205 114.496 115.700 0.002 0.000 2.576 53 S HA 0.385 4.856 4.470 0.001 0.000 0.272 53 S C 1.038 175.639 174.600 0.002 0.000 1.352 53 S CA 0.488 58.689 58.200 0.002 0.000 1.021 53 S CB 1.456 64.657 63.200 0.002 0.000 0.887 53 S HN 1.619 nan 8.310 nan 0.000 0.542 54 S N 0.549 116.251 115.700 0.003 0.000 2.475 54 S HA 0.040 4.510 4.470 0.001 0.000 0.270 54 S C 0.912 175.514 174.600 0.003 0.000 1.026 54 S CA 0.124 58.326 58.200 0.003 0.000 1.437 54 S CB -0.757 62.445 63.200 0.003 0.000 1.215 54 S HN 0.511 nan 8.310 nan 0.000 0.648 55 L N 3.060 124.285 121.223 0.003 0.000 2.027 55 L HA 0.370 4.710 4.340 0.001 0.000 0.206 55 L C 2.705 179.576 176.870 0.003 0.000 1.074 55 L CA 2.258 57.100 54.840 0.003 0.000 0.745 55 L CB -1.034 41.027 42.059 0.003 0.000 0.898 55 L HN 0.497 nan 8.230 nan 0.000 0.433 56 A N -1.295 121.526 122.820 0.002 0.000 1.978 56 A HA -0.145 4.176 4.320 0.001 0.000 0.220 56 A C 1.885 179.470 177.584 0.002 0.000 1.170 56 A CA 1.484 53.522 52.037 0.002 0.000 0.636 56 A CB -0.898 18.103 19.000 0.001 0.000 0.810 56 A HN 0.586 nan 8.150 nan 0.000 0.448 57 S N -0.402 115.299 115.700 0.002 0.000 2.704 57 S HA 0.554 5.024 4.470 0.001 0.000 0.241 57 S C 0.107 174.708 174.600 0.002 0.000 1.264 57 S CA -0.753 57.448 58.200 0.002 0.000 1.236 57 S CB -0.198 63.003 63.200 0.002 0.000 0.928 57 S HN 0.470 nan 8.310 nan 0.000 0.492 58 R N 0.084 120.585 120.500 0.002 0.000 2.707 58 R HA 0.457 4.798 4.340 0.001 0.000 0.272 58 R C -1.097 175.205 176.300 0.003 0.000 1.011 58 R CA -0.855 55.246 56.100 0.003 0.000 0.893 58 R CB 1.363 31.665 30.300 0.003 0.000 1.233 58 R HN 0.304 nan 8.270 nan 0.000 0.464 59 I N 3.553 124.125 120.570 0.003 0.000 2.406 59 I HA 0.135 4.306 4.170 0.001 0.000 0.293 59 I C -0.004 176.116 176.117 0.004 0.000 1.101 59 I CA 0.416 61.718 61.300 0.003 0.000 1.334 59 I CB 0.010 38.012 38.000 0.003 0.000 1.421 59 I HN 0.261 nan 8.210 nan 0.000 0.513 60 I N 7.142 127.714 120.570 0.004 0.000 2.412 60 I HA 0.404 4.575 4.170 0.001 0.000 0.296 60 I C -0.108 176.011 176.117 0.004 0.000 0.987 60 I CA -0.444 60.859 61.300 0.004 0.000 1.180 60 I CB 1.425 39.427 38.000 0.004 0.000 1.340 60 I HN 0.580 nan 8.210 nan 0.000 0.455 61 E N 4.537 124.739 120.200 0.005 0.000 2.356 61 E HA 0.357 4.708 4.350 0.001 0.000 0.275 61 E C -1.045 175.558 176.600 0.005 0.000 0.904 61 E CA -1.077 55.326 56.400 0.005 0.000 0.757 61 E CB 2.720 32.423 29.700 0.005 0.000 1.232 61 E HN 0.425 nan 8.360 nan 0.000 0.442 62 R N 3.063 123.565 120.500 0.004 0.000 2.316 62 R HA 0.189 4.530 4.340 0.001 0.000 0.314 62 R C -0.323 175.981 176.300 0.006 0.000 1.069 62 R CA -0.343 55.759 56.100 0.004 0.000 0.959 62 R CB 0.268 30.569 30.300 0.002 0.000 0.987 62 R HN 0.559 nan 8.270 nan 0.000 0.446 63 L N 4.255 125.483 121.223 0.008 0.000 2.640 63 L HA -0.122 4.218 4.340 0.001 0.000 0.280 63 L C 1.535 178.410 176.870 0.009 0.000 1.229 63 L CA 0.362 55.208 54.840 0.011 0.000 0.919 63 L CB 0.817 42.885 42.059 0.015 0.000 1.168 63 L HN 0.881 nan 8.230 nan 0.000 0.496 64 S N 0.175 115.881 115.700 0.009 0.000 2.478 64 S HA 0.063 4.533 4.470 0.001 0.000 0.222 64 S C 0.579 175.184 174.600 0.009 0.000 1.008 64 S CA 0.185 58.389 58.200 0.008 0.000 0.928 64 S CB 0.234 63.438 63.200 0.007 0.000 0.781 64 S HN 0.719 nan 8.310 nan 0.000 0.518 65 S N -0.411 115.296 115.700 0.012 0.000 2.625 65 S HA 0.736 5.206 4.470 0.001 0.000 0.271 65 S C -1.272 173.340 174.600 0.019 0.000 1.161 65 S CA -0.861 57.347 58.200 0.013 0.000 0.820 65 S CB 1.572 64.780 63.200 0.013 0.000 1.137 65 S HN 0.163 nan 8.310 nan 0.000 0.470 66 V N 1.374 121.300 119.914 0.020 0.000 2.495 66 V HA 0.810 4.930 4.120 0.001 0.000 0.298 66 V C 0.903 177.018 176.094 0.034 0.000 1.031 66 V CA -0.399 61.920 62.300 0.031 0.000 0.871 66 V CB 1.135 32.978 31.823 0.034 0.000 0.988 66 V HN 1.327 nan 8.190 nan 0.000 0.432 67 A N 2.434 125.284 122.820 0.050 0.000 2.455 67 A HA 0.118 4.438 4.320 0.001 0.000 0.244 67 A C 1.278 178.916 177.584 0.089 0.000 1.099 67 A CA 0.383 52.461 52.037 0.069 0.000 0.786 67 A CB -0.149 18.892 19.000 0.068 0.000 1.051 67 A HN 1.030 nan 8.150 nan 0.000 0.508 68 H N 0.527 119.614 119.070 0.028 0.000 2.307 68 H HA -0.102 4.454 4.556 0.001 0.000 0.303 68 H C 2.360 177.712 175.328 0.039 0.000 1.073 68 H CA 2.414 58.480 56.048 0.030 0.000 1.338 68 H CB -0.321 29.454 29.762 0.020 0.000 1.389 68 H HN 0.758 nan 8.280 nan 0.000 0.503 69 S N -0.042 115.808 115.700 0.250 0.000 2.469 69 S HA -0.061 4.409 4.470 0.001 0.000 0.238 69 S C 2.208 176.896 174.600 0.146 0.000 0.998 69 S CA 1.120 59.418 58.200 0.164 0.000 0.957 69 S CB -0.695 62.541 63.200 0.061 0.000 0.764 69 S HN 0.164 nan 8.310 nan 0.000 0.514 70 V N 1.736 121.734 119.914 0.139 0.000 2.446 70 V HA 0.030 4.151 4.120 0.001 0.000 0.244 70 V C 2.363 178.570 176.094 0.189 0.000 1.039 70 V CA 1.123 63.529 62.300 0.177 0.000 1.045 70 V CB -0.687 31.218 31.823 0.136 0.000 0.681 70 V HN 0.460 nan 8.190 nan 0.000 0.459 71 I N 1.295 121.927 120.570 0.103 0.000 2.127 71 I HA -0.188 3.982 4.170 0.001 0.000 0.241 71 I C 2.669 178.829 176.117 0.071 0.000 1.075 71 I CA 1.943 63.277 61.300 0.056 0.000 1.334 71 I CB -1.101 36.872 38.000 -0.045 0.000 1.040 71 I HN 0.400 nan 8.210 nan 0.000 0.405 72 G N 0.797 109.650 108.800 0.089 0.000 2.459 72 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 72 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 72 G C 1.611 176.571 174.900 0.100 0.000 1.183 72 G CA 0.757 45.912 45.100 0.092 0.000 0.776 72 G HN 0.304 nan 8.290 nan 0.000 0.552 73 F N 1.568 121.510 119.950 -0.013 0.000 2.065 73 F HA -0.098 4.429 4.527 0.001 0.000 0.298 73 F C 2.516 178.237 175.800 -0.132 0.000 1.112 73 F CA 1.243 59.203 58.000 -0.067 0.000 1.212 73 F CB -0.391 38.587 39.000 -0.036 0.000 0.975 73 F HN 0.121 nan 8.300 nan 0.000 0.476 74 I N 0.160 120.717 120.570 -0.022 0.000 2.058 74 I HA -0.387 3.784 4.170 0.001 0.000 0.235 74 I C 2.433 178.520 176.117 -0.050 0.000 1.053 74 I CA 1.951 63.269 61.300 0.030 0.000 1.313 74 I CB -0.810 37.340 38.000 0.249 0.000 1.039 74 I HN 0.210 nan 8.210 nan 0.000 0.396 75 Q N -0.133 119.671 119.800 0.006 0.000 2.364 75 Q HA -0.219 4.121 4.340 0.001 0.000 0.209 75 Q C 2.223 178.177 176.000 -0.077 0.000 0.977 75 Q CA 0.945 56.746 55.803 -0.003 0.000 0.885 75 Q CB -0.171 28.572 28.738 0.008 0.000 0.941 75 Q HN 0.402 nan 8.270 nan 0.000 0.464 76 R N 0.256 120.661 120.500 -0.159 0.000 2.075 76 R HA 0.019 4.359 4.340 0.001 0.000 0.226 76 R C 1.499 177.632 176.300 -0.277 0.000 1.114 76 R CA 1.025 57.019 56.100 -0.178 0.000 0.972 76 R CB 0.189 30.401 30.300 -0.147 0.000 0.869 76 R HN 0.213 nan 8.270 nan 0.000 0.437 77 M N -0.497 118.771 119.600 -0.553 0.000 2.313 77 M HA 0.262 4.742 4.480 0.001 0.000 0.273 77 M C -0.667 175.303 176.300 -0.550 0.000 1.049 77 M CA 0.054 54.976 55.300 -0.630 0.000 1.004 77 M CB 0.914 32.960 32.600 -0.924 0.000 1.461 77 M HN -0.038 nan 8.290 nan 0.000 0.514 78 F N 0.000 119.853 119.950 -0.162 0.000 0.000 78 F HA 0.000 4.527 4.527 0.000 0.000 0.000 78 F CA 0.000 57.933 58.000 -0.112 0.000 0.000 78 F CB 0.000 38.931 39.000 -0.115 0.000 0.000 78 F HN 0.000 nan 8.300 nan 0.000 0.000