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 2vi6_1_G DATA FIRST_RESID 6 DATA SEQUENCE TVFSQAQLCA LKDRFQKQKY LSLQQMQELS SILNLSYKQV KTWFQNQRMK DATA SEQUENCE CKRWQ 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.590 174.700 -0.183 0.000 1.109 6 T CA 0.000 62.050 62.100 -0.083 0.000 1.349 6 T CB 0.000 68.821 68.868 -0.079 0.000 0.612 7 V N 4.363 124.201 119.914 -0.126 0.000 2.540 7 V HA 0.816 4.936 4.120 -0.001 0.000 0.302 7 V C -0.769 175.317 176.094 -0.015 0.000 1.035 7 V CA -0.757 61.446 62.300 -0.163 0.000 0.873 7 V CB 0.829 32.605 31.823 -0.079 0.000 0.992 7 V HN 0.502 nan 8.190 nan 0.000 0.428 8 F N 3.563 123.509 119.950 -0.007 0.000 2.403 8 F HA 0.513 5.039 4.527 -0.000 0.000 0.320 8 F C 1.124 176.903 175.800 -0.035 0.000 1.176 8 F CA -0.533 57.447 58.000 -0.032 0.000 1.206 8 F CB 0.799 39.759 39.000 -0.067 0.000 1.235 8 F HN 0.633 nan 8.300 nan 0.000 0.565 9 S N 0.273 116.073 115.700 0.166 0.000 2.601 9 S HA 0.194 4.664 4.470 -0.001 0.000 0.271 9 S C 0.687 175.312 174.600 0.043 0.000 1.305 9 S CA -0.693 57.548 58.200 0.069 0.000 1.022 9 S CB 1.103 64.321 63.200 0.030 0.000 0.940 9 S HN 0.626 nan 8.310 nan 0.000 0.525 10 Q N 1.546 121.361 119.800 0.024 0.000 2.118 10 Q HA -0.229 4.111 4.340 -0.001 0.000 0.211 10 Q C 2.470 178.461 176.000 -0.015 0.000 0.998 10 Q CA 2.110 57.919 55.803 0.009 0.000 0.872 10 Q CB -0.763 27.978 28.738 0.006 0.000 0.925 10 Q HN 0.954 nan 8.270 nan 0.000 0.414 11 A N 0.650 123.457 122.820 -0.022 0.000 1.902 11 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 11 A C 2.000 179.536 177.584 -0.080 0.000 1.181 11 A CA 1.624 53.635 52.037 -0.043 0.000 0.623 11 A CB -0.483 18.496 19.000 -0.036 0.000 0.818 11 A HN 0.374 nan 8.150 nan 0.000 0.443 12 Q N -0.402 119.342 119.800 -0.093 0.000 2.050 12 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 12 Q C 2.098 177.953 176.000 -0.243 0.000 0.980 12 Q CA 1.462 57.157 55.803 -0.180 0.000 0.840 12 Q CB -0.340 28.269 28.738 -0.216 0.000 0.898 12 Q HN 0.670 nan 8.270 nan 0.000 0.424 13 L N -0.207 120.926 121.223 -0.150 0.000 2.042 13 L HA -0.290 4.050 4.340 -0.001 0.000 0.210 13 L C 2.575 179.332 176.870 -0.189 0.000 1.076 13 L CA 0.932 55.668 54.840 -0.173 0.000 0.749 13 L CB -0.576 41.477 42.059 -0.010 0.000 0.893 13 L HN 0.441 nan 8.230 nan 0.000 0.432 14 C N -0.379 118.854 119.300 -0.111 0.000 2.413 14 C HA -0.220 4.240 4.460 -0.001 0.000 0.276 14 C C 3.143 178.062 174.990 -0.117 0.000 1.236 14 C CA 0.844 59.811 59.018 -0.084 0.000 1.735 14 C CB -1.116 26.593 27.740 -0.052 0.000 2.031 14 C HN 0.648 nan 8.230 nan 0.000 0.474 15 A N 0.177 122.909 122.820 -0.147 0.000 1.877 15 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 15 A C 2.124 179.590 177.584 -0.197 0.000 1.186 15 A CA 1.561 53.513 52.037 -0.141 0.000 0.620 15 A CB -0.689 18.230 19.000 -0.135 0.000 0.822 15 A HN 0.604 nan 8.150 nan 0.000 0.443 16 L N -0.689 120.298 121.223 -0.393 0.000 1.971 16 L HA -0.266 4.074 4.340 -0.001 0.000 0.215 16 L C 2.656 179.217 176.870 -0.515 0.000 1.072 16 L CA 2.123 56.546 54.840 -0.694 0.000 0.758 16 L CB -0.493 40.633 42.059 -1.554 0.000 0.889 16 L HN 0.361 nan 8.230 nan 0.000 0.433 17 K N -0.446 119.737 120.400 -0.362 0.000 2.147 17 K HA -0.231 4.089 4.320 -0.001 0.000 0.205 17 K C 1.691 178.328 176.600 0.061 0.000 1.049 17 K CA 1.763 58.053 56.287 0.005 0.000 0.936 17 K CB -0.171 32.354 32.500 0.042 0.000 0.722 17 K HN 0.277 nan 8.250 nan 0.000 0.446 18 D N 0.137 120.533 120.400 -0.006 0.000 2.183 18 D HA -0.113 4.527 4.640 -0.001 0.000 0.203 18 D C 1.973 178.303 176.300 0.050 0.000 0.969 18 D CA 0.739 54.751 54.000 0.019 0.000 0.842 18 D CB 0.238 41.034 40.800 -0.007 0.000 0.957 18 D HN -0.053 nan 8.370 nan 0.000 0.484 19 R N -0.581 119.965 120.500 0.078 0.000 2.073 19 R HA -0.057 4.282 4.340 -0.001 0.000 0.229 19 R C 1.891 178.328 176.300 0.229 0.000 1.120 19 R CA 1.037 57.231 56.100 0.158 0.000 0.967 19 R CB -1.017 29.426 30.300 0.238 0.000 0.862 19 R HN 0.205 nan 8.270 nan 0.000 0.436 20 F N 1.579 121.578 119.950 0.081 0.000 2.120 20 F HA -0.257 4.270 4.527 -0.001 0.000 0.300 20 F C 1.951 177.694 175.800 -0.096 0.000 1.095 20 F CA 2.039 60.045 58.000 0.009 0.000 1.249 20 F CB -0.240 38.688 39.000 -0.121 0.000 0.995 20 F HN 0.172 nan 8.300 nan 0.000 0.480 21 Q N -0.126 119.655 119.800 -0.031 0.000 2.181 21 Q HA -0.234 4.105 4.340 -0.001 0.000 0.205 21 Q C 1.932 177.851 176.000 -0.136 0.000 0.980 21 Q CA 2.091 57.820 55.803 -0.124 0.000 0.862 21 Q CB -0.153 28.571 28.738 -0.023 0.000 0.905 21 Q HN 0.486 nan 8.270 nan 0.000 0.429 22 K N -0.406 119.952 120.400 -0.070 0.000 2.242 22 K HA 0.070 4.389 4.320 -0.001 0.000 0.200 22 K C 0.496 177.057 176.600 -0.064 0.000 1.050 22 K CA 0.492 56.750 56.287 -0.049 0.000 0.981 22 K CB 0.447 32.943 32.500 -0.006 0.000 0.795 22 K HN 0.010 nan 8.250 nan 0.000 0.477 23 Q N 0.303 120.066 119.800 -0.062 0.000 2.295 23 Q HA 0.200 4.540 4.340 -0.001 0.000 0.259 23 Q C -0.271 175.694 176.000 -0.058 0.000 0.966 23 Q CA -0.381 55.405 55.803 -0.027 0.000 0.763 23 Q CB 1.623 30.389 28.738 0.046 0.000 1.283 23 Q HN -0.079 nan 8.270 nan 0.000 0.445 24 K N 1.285 121.564 120.400 -0.201 0.000 2.186 24 K HA 0.048 4.368 4.320 -0.001 0.000 0.202 24 K C -0.026 176.528 176.600 -0.077 0.000 1.052 24 K CA 1.140 57.205 56.287 -0.371 0.000 0.965 24 K CB 0.376 32.602 32.500 -0.457 0.000 0.746 24 K HN 0.437 nan 8.250 nan 0.000 0.457 25 Y N 0.134 120.463 120.300 0.047 0.000 2.393 25 Y HA 0.366 4.915 4.550 -0.001 0.000 0.341 25 Y C -0.228 175.622 175.900 -0.084 0.000 0.988 25 Y CA -1.133 56.976 58.100 0.015 0.000 1.078 25 Y CB 1.470 39.941 38.460 0.018 0.000 1.203 25 Y HN -0.248 nan 8.280 nan 0.000 0.453 26 L N 2.103 123.305 121.223 -0.035 0.000 2.354 26 L HA 0.549 4.888 4.340 -0.001 0.000 0.269 26 L C 0.099 176.957 176.870 -0.020 0.000 1.005 26 L CA -0.672 54.103 54.840 -0.108 0.000 0.819 26 L CB 2.107 43.966 42.059 -0.332 0.000 1.311 26 L HN 0.743 nan 8.230 nan 0.000 0.423 27 S N 2.083 117.779 115.700 -0.006 0.000 2.596 27 S HA 0.127 4.597 4.470 -0.001 0.000 0.260 27 S C 1.242 175.863 174.600 0.035 0.000 1.336 27 S CA -0.483 57.727 58.200 0.016 0.000 0.993 27 S CB 0.395 63.599 63.200 0.007 0.000 0.923 27 S HN 0.707 nan 8.310 nan 0.000 0.567 28 L N 0.731 121.987 121.223 0.055 0.000 1.990 28 L HA -0.219 4.120 4.340 -0.001 0.000 0.213 28 L C 2.511 179.416 176.870 0.058 0.000 1.072 28 L CA 2.250 57.142 54.840 0.086 0.000 0.755 28 L CB -1.418 40.658 42.059 0.029 0.000 0.889 28 L HN 0.910 nan 8.230 nan 0.000 0.432 29 Q N -0.628 119.180 119.800 0.014 0.000 2.084 29 Q HA -0.265 4.075 4.340 -0.001 0.000 0.202 29 Q C 2.219 178.227 176.000 0.013 0.000 0.978 29 Q CA 1.958 57.761 55.803 0.001 0.000 0.844 29 Q CB -0.086 28.646 28.738 -0.010 0.000 0.898 29 Q HN 0.614 nan 8.270 nan 0.000 0.426 30 Q N -0.222 119.581 119.800 0.006 0.000 2.112 30 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 30 Q C 1.932 177.928 176.000 -0.006 0.000 0.987 30 Q CA 1.412 57.209 55.803 -0.009 0.000 0.858 30 Q CB -0.016 28.701 28.738 -0.034 0.000 0.905 30 Q HN 0.425 nan 8.270 nan 0.000 0.420 31 M N -0.643 118.969 119.600 0.020 0.000 2.349 31 M HA -0.139 4.341 4.480 -0.001 0.000 0.266 31 M C 2.045 178.448 176.300 0.172 0.000 1.076 31 M CA 0.981 56.310 55.300 0.050 0.000 1.126 31 M CB 0.117 32.749 32.600 0.054 0.000 1.392 31 M HN 0.209 nan 8.290 nan 0.000 0.440 32 Q N 0.817 120.724 119.800 0.179 0.000 2.016 32 Q HA -0.232 4.107 4.340 -0.001 0.000 0.200 32 Q C 1.760 177.798 176.000 0.063 0.000 0.978 32 Q CA 2.087 57.966 55.803 0.128 0.000 0.833 32 Q CB 0.087 28.822 28.738 -0.004 0.000 0.895 32 Q HN 0.625 nan 8.270 nan 0.000 0.427 33 E N -0.353 119.866 120.200 0.031 0.000 2.285 33 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 33 E C 1.797 178.402 176.600 0.008 0.000 0.997 33 E CA 0.670 57.077 56.400 0.012 0.000 0.845 33 E CB -0.185 29.516 29.700 0.002 0.000 0.782 33 E HN 0.275 nan 8.360 nan 0.000 0.491 34 L N 1.706 122.938 121.223 0.014 0.000 2.072 34 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 34 L C 2.317 179.181 176.870 -0.011 0.000 1.079 34 L CA 2.145 56.986 54.840 0.003 0.000 0.752 34 L CB -0.626 41.441 42.059 0.013 0.000 0.906 34 L HN 0.316 nan 8.230 nan 0.000 0.436 35 S N -2.226 113.482 115.700 0.013 0.000 2.423 35 S HA -0.171 4.299 4.470 -0.001 0.000 0.231 35 S C 2.135 176.726 174.600 -0.015 0.000 1.014 35 S CA 1.214 59.411 58.200 -0.005 0.000 0.965 35 S CB -0.849 62.386 63.200 0.059 0.000 0.785 35 S HN 0.534 nan 8.310 nan 0.000 0.495 36 S N 1.791 117.491 115.700 -0.001 0.000 2.338 36 S HA -0.027 4.443 4.470 -0.001 0.000 0.218 36 S C 1.900 176.485 174.600 -0.024 0.000 1.032 36 S CA 1.162 59.357 58.200 -0.008 0.000 0.999 36 S CB -0.572 62.627 63.200 -0.002 0.000 0.905 36 S HN 0.472 nan 8.310 nan 0.000 0.439 37 I N 1.490 122.044 120.570 -0.026 0.000 2.248 37 I HA -0.124 4.046 4.170 -0.001 0.000 0.248 37 I C 2.010 178.096 176.117 -0.052 0.000 1.107 37 I CA 1.216 62.495 61.300 -0.034 0.000 1.373 37 I CB -1.502 36.478 38.000 -0.034 0.000 1.055 37 I HN 0.328 nan 8.210 nan 0.000 0.418 38 L N 0.421 121.601 121.223 -0.072 0.000 2.558 38 L HA 0.075 4.414 4.340 -0.001 0.000 0.225 38 L C 0.789 177.593 176.870 -0.111 0.000 1.128 38 L CA 0.396 55.169 54.840 -0.111 0.000 0.868 38 L CB -1.087 40.873 42.059 -0.165 0.000 1.006 38 L HN 0.360 nan 8.230 nan 0.000 0.454 39 N N -0.044 118.610 118.700 -0.076 0.000 2.758 39 N HA -0.225 4.515 4.740 -0.001 0.000 0.248 39 N C -0.946 174.517 175.510 -0.078 0.000 1.076 39 N CA 0.554 53.569 53.050 -0.060 0.000 0.696 39 N CB -1.274 37.183 38.487 -0.049 0.000 0.979 39 N HN 0.260 nan 8.380 nan 0.000 0.550 40 L N -0.107 121.059 121.223 -0.095 0.000 2.333 40 L HA 0.548 4.888 4.340 -0.001 0.000 0.263 40 L C 0.727 177.579 176.870 -0.030 0.000 1.014 40 L CA -0.932 53.841 54.840 -0.112 0.000 0.820 40 L CB 1.839 43.737 42.059 -0.268 0.000 1.352 40 L HN 0.278 nan 8.230 nan 0.000 0.421 41 S N -0.360 115.347 115.700 0.012 0.000 2.579 41 S HA -0.001 4.469 4.470 -0.001 0.000 0.275 41 S C 0.819 175.473 174.600 0.090 0.000 1.345 41 S CA -0.195 58.047 58.200 0.070 0.000 1.031 41 S CB 0.490 63.743 63.200 0.089 0.000 0.892 41 S HN 0.641 nan 8.310 nan 0.000 0.529 42 Y N 2.500 122.812 120.300 0.021 0.000 2.165 42 Y HA -0.157 4.393 4.550 -0.000 0.000 0.286 42 Y C 2.363 178.300 175.900 0.062 0.000 1.155 42 Y CA 2.102 60.221 58.100 0.031 0.000 1.164 42 Y CB -0.242 38.231 38.460 0.022 0.000 0.978 42 Y HN 0.818 nan 8.280 nan 0.000 0.513 43 K N -0.006 120.404 120.400 0.018 0.000 2.103 43 K HA -0.265 4.055 4.320 -0.001 0.000 0.207 43 K C 2.161 178.755 176.600 -0.010 0.000 1.048 43 K CA 2.041 58.311 56.287 -0.028 0.000 0.930 43 K CB -0.137 32.416 32.500 0.088 0.000 0.716 43 K HN 0.519 nan 8.250 nan 0.000 0.444 44 Q N -0.336 119.500 119.800 0.059 0.000 2.079 44 Q HA -0.119 4.220 4.340 -0.001 0.000 0.200 44 Q C 2.055 178.157 176.000 0.170 0.000 0.974 44 Q CA 1.343 57.246 55.803 0.167 0.000 0.840 44 Q CB 0.185 29.041 28.738 0.196 0.000 0.898 44 Q HN 0.117 nan 8.270 nan 0.000 0.430 45 V N 0.965 120.904 119.914 0.042 0.000 2.283 45 V HA -0.266 3.853 4.120 -0.001 0.000 0.243 45 V C 2.216 178.453 176.094 0.239 0.000 1.039 45 V CA 1.971 64.348 62.300 0.128 0.000 1.016 45 V CB -0.492 31.358 31.823 0.045 0.000 0.650 45 V HN 0.313 nan 8.190 nan 0.000 0.449 46 K N -0.219 120.146 120.400 -0.059 0.000 2.113 46 K HA -0.222 4.097 4.320 -0.001 0.000 0.208 46 K C 2.063 178.709 176.600 0.077 0.000 1.047 46 K CA 2.186 58.427 56.287 -0.076 0.000 0.928 46 K CB -0.336 31.913 32.500 -0.418 0.000 0.716 46 K HN 0.507 nan 8.250 nan 0.000 0.446 47 T N -0.234 114.371 114.554 0.085 0.000 2.770 47 T HA -0.153 4.197 4.350 -0.001 0.000 0.263 47 T C 1.101 175.883 174.700 0.137 0.000 1.039 47 T CA 1.305 63.465 62.100 0.100 0.000 1.142 47 T CB -0.405 68.523 68.868 0.100 0.000 0.868 47 T HN 0.523 nan 8.240 nan 0.000 0.435 48 W N 1.014 122.365 121.300 0.085 0.000 2.317 48 W HA -0.184 4.476 4.660 -0.001 0.000 0.318 48 W C 1.691 178.167 176.519 -0.072 0.000 1.227 48 W CA 1.191 58.557 57.345 0.035 0.000 1.269 48 W CB -0.653 28.864 29.460 0.094 0.000 1.155 48 W HN 0.185 nan 8.180 nan 0.000 0.484 49 F N 0.660 120.711 119.950 0.169 0.000 2.095 49 F HA -0.296 4.230 4.527 -0.000 0.000 0.298 49 F C 2.855 178.555 175.800 -0.166 0.000 1.104 49 F CA 2.470 60.465 58.000 -0.008 0.000 1.232 49 F CB -1.203 37.903 39.000 0.178 0.000 0.987 49 F HN 0.027 nan 8.300 nan 0.000 0.475 50 Q N 0.672 120.526 119.800 0.090 0.000 2.030 50 Q HA -0.278 4.061 4.340 -0.001 0.000 0.204 50 Q C 1.775 177.717 176.000 -0.097 0.000 0.986 50 Q CA 2.356 58.167 55.803 0.013 0.000 0.843 50 Q CB -0.448 28.311 28.738 0.034 0.000 0.904 50 Q HN 0.520 nan 8.270 nan 0.000 0.420 51 N N -0.590 117.999 118.700 -0.185 0.000 2.289 51 N HA -0.196 4.544 4.740 -0.001 0.000 0.184 51 N C 1.816 177.112 175.510 -0.355 0.000 1.016 51 N CA 0.860 53.766 53.050 -0.240 0.000 0.872 51 N CB -0.014 38.327 38.487 -0.243 0.000 0.973 51 N HN 0.216 nan 8.380 nan 0.000 0.433 52 Q N 1.374 120.794 119.800 -0.633 0.000 2.046 52 Q HA 0.031 4.371 4.340 -0.001 0.000 0.200 52 Q C 1.774 177.659 176.000 -0.193 0.000 0.975 52 Q CA 1.400 56.734 55.803 -0.781 0.000 0.836 52 Q CB 0.124 27.751 28.738 -1.852 0.000 0.896 52 Q HN 0.230 nan 8.270 nan 0.000 0.428 53 R N -0.876 119.610 120.500 -0.023 0.000 2.096 53 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 53 R C 1.930 178.328 176.300 0.163 0.000 1.127 53 R CA 1.381 57.629 56.100 0.246 0.000 0.968 53 R CB -0.248 30.103 30.300 0.085 0.000 0.861 53 R HN 0.317 nan 8.270 nan 0.000 0.440 54 M N 0.701 120.322 119.600 0.035 0.000 2.549 54 M HA -0.095 4.384 4.480 -0.001 0.000 0.260 54 M C 1.587 177.873 176.300 -0.023 0.000 1.076 54 M CA 1.353 56.655 55.300 0.004 0.000 1.090 54 M CB -0.406 32.179 32.600 -0.026 0.000 1.418 54 M HN 0.003 nan 8.290 nan 0.000 0.486 55 K N -0.942 119.448 120.400 -0.015 0.000 2.155 55 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 55 K C 0.069 176.560 176.600 -0.182 0.000 1.052 55 K CA 0.578 56.822 56.287 -0.073 0.000 0.948 55 K CB 0.283 32.763 32.500 -0.034 0.000 0.728 55 K HN 0.283 nan 8.250 nan 0.000 0.448 56 C N 1.798 120.965 119.300 -0.221 0.000 2.432 56 C HA 0.239 4.698 4.460 -0.001 0.000 0.334 56 C C 0.789 175.641 174.990 -0.231 0.000 1.155 56 C CA -1.671 57.082 59.018 -0.441 0.000 1.335 56 C CB 1.513 28.522 27.740 -1.218 0.000 1.964 56 C HN 0.523 nan 8.230 nan 0.000 0.444 57 K N 3.649 123.953 120.400 -0.161 0.000 2.298 57 K HA -0.384 3.935 4.320 -0.001 0.000 0.206 57 K C 1.523 178.086 176.600 -0.061 0.000 0.807 57 K CA 2.745 58.972 56.287 -0.101 0.000 1.023 57 K CB -0.844 31.581 32.500 -0.125 0.000 1.086 57 K HN 0.884 nan 8.250 nan 0.000 0.566 58 R N -0.793 119.618 120.500 -0.148 0.000 2.236 58 R HA 0.003 4.342 4.340 -0.001 0.000 0.208 58 R C 1.897 178.301 176.300 0.173 0.000 1.036 58 R CA 1.194 57.275 56.100 -0.031 0.000 1.001 58 R CB -0.239 30.013 30.300 -0.080 0.000 0.896 58 R HN 0.388 nan 8.270 nan 0.000 0.464 59 W N 1.976 123.300 121.300 0.039 0.000 2.863 59 W HA 0.243 4.903 4.660 -0.000 0.000 0.258 59 W C 0.783 177.332 176.519 0.050 0.000 1.298 59 W CA -0.655 56.708 57.345 0.030 0.000 1.451 59 W CB -0.489 29.018 29.460 0.078 0.000 1.107 59 W HN 0.146 nan 8.180 nan 0.000 0.641 60 Q N 0.000 119.960 119.800 0.267 0.000 2.315 60 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 60 Q CA 0.000 55.948 55.803 0.242 0.000 1.022 60 Q CB 0.000 28.832 28.738 0.157 0.000 1.108 60 Q HN 0.000 nan 8.270 nan 0.000 0.481