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_F 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 0.000 174.454 174.700 -0.410 0.000 1.109 6 T CA 0.000 61.956 62.100 -0.240 0.000 1.349 6 T CB 0.000 68.745 68.868 -0.205 0.000 0.612 7 V N 3.855 123.597 119.914 -0.288 0.000 2.583 7 V HA 0.488 4.608 4.120 -0.000 0.000 0.287 7 V C 0.200 176.122 176.094 -0.286 0.000 1.051 7 V CA -0.452 61.685 62.300 -0.270 0.000 1.010 7 V CB -0.024 31.765 31.823 -0.057 0.000 0.988 7 V HN 0.703 nan 8.190 nan 0.000 0.478 8 F N 2.004 121.944 119.950 -0.017 0.000 2.444 8 F HA 0.411 4.937 4.527 -0.000 0.000 0.331 8 F C 1.270 177.045 175.800 -0.042 0.000 1.167 8 F CA -0.393 57.577 58.000 -0.050 0.000 1.262 8 F CB 0.339 39.276 39.000 -0.106 0.000 1.196 8 F HN 0.613 nan 8.300 nan 0.000 0.583 9 S N 0.572 116.354 115.700 0.137 0.000 2.600 9 S HA 0.076 4.546 4.470 -0.000 0.000 0.265 9 S C 0.821 175.452 174.600 0.053 0.000 1.325 9 S CA -0.694 57.547 58.200 0.068 0.000 1.002 9 S CB 1.067 64.288 63.200 0.035 0.000 0.921 9 S HN 0.796 nan 8.310 nan 0.000 0.554 10 Q N 0.732 120.548 119.800 0.026 0.000 2.077 10 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 10 Q C 2.539 178.524 176.000 -0.024 0.000 0.989 10 Q CA 1.842 57.647 55.803 0.002 0.000 0.853 10 Q CB -0.718 28.022 28.738 0.003 0.000 0.907 10 Q HN 0.946 nan 8.270 nan 0.000 0.418 11 A N 0.647 123.456 122.820 -0.018 0.000 1.933 11 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 11 A C 1.922 179.472 177.584 -0.057 0.000 1.175 11 A CA 1.511 53.529 52.037 -0.031 0.000 0.628 11 A CB -0.434 18.556 19.000 -0.018 0.000 0.814 11 A HN 0.383 nan 8.150 nan 0.000 0.444 12 Q N -0.478 119.291 119.800 -0.050 0.000 2.046 12 Q HA -0.065 4.274 4.340 -0.000 0.000 0.200 12 Q C 2.126 177.984 176.000 -0.237 0.000 0.975 12 Q CA 1.422 57.170 55.803 -0.092 0.000 0.836 12 Q CB -0.315 28.423 28.738 0.000 0.000 0.896 12 Q HN 0.651 nan 8.270 nan 0.000 0.428 13 L N -0.105 120.972 121.223 -0.242 0.000 2.012 13 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 13 L C 2.582 179.264 176.870 -0.313 0.000 1.073 13 L CA 0.967 55.569 54.840 -0.396 0.000 0.748 13 L CB -0.448 41.478 42.059 -0.220 0.000 0.891 13 L HN 0.433 nan 8.230 nan 0.000 0.431 14 C N -0.547 118.652 119.300 -0.169 0.000 2.403 14 C HA -0.227 4.232 4.460 -0.000 0.000 0.277 14 C C 3.061 177.974 174.990 -0.129 0.000 1.248 14 C CA 0.879 59.828 59.018 -0.116 0.000 1.762 14 C CB -1.116 26.585 27.740 -0.066 0.000 2.014 14 C HN 0.646 nan 8.230 nan 0.000 0.486 15 A N -0.319 122.409 122.820 -0.154 0.000 1.929 15 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 15 A C 2.099 179.589 177.584 -0.158 0.000 1.176 15 A CA 1.102 53.066 52.037 -0.121 0.000 0.628 15 A CB -0.471 18.470 19.000 -0.098 0.000 0.816 15 A HN 0.587 nan 8.150 nan 0.000 0.444 16 L N -0.566 120.449 121.223 -0.347 0.000 2.027 16 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 16 L C 2.610 179.268 176.870 -0.354 0.000 1.074 16 L CA 1.612 56.123 54.840 -0.548 0.000 0.745 16 L CB -0.405 40.787 42.059 -1.445 0.000 0.898 16 L HN 0.340 nan 8.230 nan 0.000 0.433 17 K N -0.282 119.953 120.400 -0.274 0.000 2.057 17 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 17 K C 1.746 178.376 176.600 0.051 0.000 1.049 17 K CA 1.766 58.059 56.287 0.010 0.000 0.931 17 K CB -0.202 32.293 32.500 -0.009 0.000 0.714 17 K HN 0.200 nan 8.250 nan 0.000 0.440 18 D N 0.547 120.947 120.400 -0.001 0.000 2.123 18 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 18 D C 1.990 178.322 176.300 0.053 0.000 0.992 18 D CA 1.229 55.240 54.000 0.019 0.000 0.833 18 D CB 0.122 40.920 40.800 -0.003 0.000 0.954 18 D HN -0.038 nan 8.370 nan 0.000 0.455 19 R N -0.686 119.868 120.500 0.090 0.000 2.075 19 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 19 R C 2.127 178.551 176.300 0.206 0.000 1.126 19 R CA 1.154 57.348 56.100 0.157 0.000 0.963 19 R CB -1.179 29.265 30.300 0.241 0.000 0.858 19 R HN 0.266 nan 8.270 nan 0.000 0.435 20 F N 1.473 121.468 119.950 0.075 0.000 2.161 20 F HA -0.236 4.291 4.527 -0.000 0.000 0.300 20 F C 1.892 177.613 175.800 -0.132 0.000 1.089 20 F CA 1.913 59.887 58.000 -0.043 0.000 1.282 20 F CB -0.088 38.745 39.000 -0.278 0.000 1.010 20 F HN 0.173 nan 8.300 nan 0.000 0.485 21 Q N -0.027 119.768 119.800 -0.008 0.000 2.167 21 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 21 Q C 2.037 177.957 176.000 -0.133 0.000 0.970 21 Q CA 1.581 57.320 55.803 -0.106 0.000 0.855 21 Q CB -0.152 28.578 28.738 -0.014 0.000 0.911 21 Q HN 0.494 nan 8.270 nan 0.000 0.438 22 K N 0.582 120.939 120.400 -0.072 0.000 2.067 22 K HA -0.027 4.292 4.320 -0.000 0.000 0.203 22 K C 0.937 177.495 176.600 -0.070 0.000 1.048 22 K CA 0.673 56.930 56.287 -0.049 0.000 0.954 22 K CB 0.261 32.757 32.500 -0.007 0.000 0.737 22 K HN 0.207 nan 8.250 nan 0.000 0.444 23 Q N 0.256 120.017 119.800 -0.066 0.000 2.269 23 Q HA 0.301 4.641 4.340 -0.000 0.000 0.263 23 Q C -0.709 175.234 176.000 -0.095 0.000 0.983 23 Q CA -0.491 55.277 55.803 -0.058 0.000 0.777 23 Q CB 1.915 30.656 28.738 0.005 0.000 1.273 23 Q HN -0.221 nan 8.270 nan 0.000 0.440 24 K N 1.240 121.494 120.400 -0.245 0.000 2.362 24 K HA 0.045 4.365 4.320 -0.000 0.000 0.200 24 K C -0.620 175.873 176.600 -0.178 0.000 1.046 24 K CA 1.183 57.222 56.287 -0.412 0.000 0.952 24 K CB 0.203 32.398 32.500 -0.508 0.000 0.753 24 K HN 0.502 nan 8.250 nan 0.000 0.466 25 Y N -0.022 120.278 120.300 0.000 0.000 2.363 25 Y HA 0.321 4.871 4.550 -0.000 0.000 0.325 25 Y C -0.778 175.069 175.900 -0.088 0.000 0.984 25 Y CA -1.207 56.888 58.100 -0.008 0.000 1.248 25 Y CB 1.001 39.462 38.460 0.002 0.000 1.116 25 Y HN -0.253 nan 8.280 nan 0.000 0.470 26 L N 2.861 124.023 121.223 -0.102 0.000 2.325 26 L HA 0.495 4.835 4.340 -0.000 0.000 0.279 26 L C 0.567 177.406 176.870 -0.052 0.000 1.054 26 L CA -0.301 54.448 54.840 -0.151 0.000 0.804 26 L CB 1.602 43.426 42.059 -0.391 0.000 1.200 26 L HN 0.696 nan 8.230 nan 0.000 0.436 27 S N 2.464 118.150 115.700 -0.024 0.000 2.598 27 S HA 0.179 4.649 4.470 -0.000 0.000 0.256 27 S C 1.347 175.956 174.600 0.016 0.000 1.350 27 S CA -0.415 57.788 58.200 0.004 0.000 0.984 27 S CB 0.282 63.481 63.200 -0.001 0.000 0.930 27 S HN 0.535 nan 8.310 nan 0.000 0.577 28 L N 0.502 121.749 121.223 0.039 0.000 1.976 28 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 28 L C 3.121 180.001 176.870 0.017 0.000 1.071 28 L CA 1.870 56.749 54.840 0.065 0.000 0.746 28 L CB -1.029 41.045 42.059 0.025 0.000 0.890 28 L HN 0.760 nan 8.230 nan 0.000 0.432 29 Q N -0.250 119.539 119.800 -0.018 0.000 2.096 29 Q HA -0.298 4.042 4.340 -0.000 0.000 0.208 29 Q C 2.281 178.274 176.000 -0.012 0.000 0.993 29 Q CA 2.037 57.823 55.803 -0.030 0.000 0.862 29 Q CB -0.134 28.588 28.738 -0.026 0.000 0.915 29 Q HN 0.490 nan 8.270 nan 0.000 0.416 30 Q N -0.709 119.085 119.800 -0.010 0.000 2.124 30 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 30 Q C 2.014 178.007 176.000 -0.012 0.000 0.977 30 Q CA 1.158 56.949 55.803 -0.020 0.000 0.850 30 Q CB -0.049 28.662 28.738 -0.045 0.000 0.901 30 Q HN 0.477 nan 8.270 nan 0.000 0.429 31 M N 0.019 119.630 119.600 0.018 0.000 2.200 31 M HA -0.172 4.308 4.480 -0.000 0.000 0.265 31 M C 2.323 178.733 176.300 0.184 0.000 1.066 31 M CA 1.173 56.519 55.300 0.078 0.000 1.127 31 M CB -0.102 32.578 32.600 0.134 0.000 1.379 31 M HN 0.229 nan 8.290 nan 0.000 0.420 32 Q N 0.851 120.740 119.800 0.149 0.000 2.020 32 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 32 Q C 1.639 177.671 176.000 0.054 0.000 0.982 32 Q CA 1.863 57.713 55.803 0.077 0.000 0.838 32 Q CB -0.033 28.659 28.738 -0.077 0.000 0.899 32 Q HN 0.538 nan 8.270 nan 0.000 0.423 33 E N 0.250 120.465 120.200 0.026 0.000 2.049 33 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 33 E C 2.058 178.676 176.600 0.029 0.000 1.007 33 E CA 1.477 57.888 56.400 0.018 0.000 0.809 33 E CB -0.223 29.481 29.700 0.006 0.000 0.749 33 E HN 0.234 nan 8.360 nan 0.000 0.450 34 L N 1.122 122.367 121.223 0.036 0.000 2.042 34 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 34 L C 2.405 179.304 176.870 0.049 0.000 1.076 34 L CA 2.326 57.190 54.840 0.039 0.000 0.749 34 L CB -0.774 41.314 42.059 0.048 0.000 0.893 34 L HN 0.153 nan 8.230 nan 0.000 0.432 35 S N -1.287 114.460 115.700 0.079 0.000 2.359 35 S HA -0.260 4.210 4.470 -0.000 0.000 0.224 35 S C 2.212 176.849 174.600 0.062 0.000 1.035 35 S CA 1.706 59.959 58.200 0.088 0.000 1.018 35 S CB -1.387 61.901 63.200 0.146 0.000 0.876 35 S HN 0.700 nan 8.310 nan 0.000 0.448 36 S N 2.136 117.867 115.700 0.053 0.000 2.368 36 S HA -0.007 4.463 4.470 -0.000 0.000 0.225 36 S C 1.942 176.556 174.600 0.023 0.000 1.030 36 S CA 1.184 59.404 58.200 0.034 0.000 0.999 36 S CB -0.929 62.285 63.200 0.023 0.000 0.844 36 S HN 0.606 nan 8.310 nan 0.000 0.459 37 I N 0.289 120.872 120.570 0.020 0.000 2.493 37 I HA -0.034 4.136 4.170 -0.000 0.000 0.254 37 I C 1.524 177.645 176.117 0.008 0.000 1.160 37 I CA 0.753 62.059 61.300 0.011 0.000 1.445 37 I CB -0.128 37.877 38.000 0.009 0.000 1.086 37 I HN 0.308 nan 8.210 nan 0.000 0.433 38 L N -0.007 121.223 121.223 0.012 0.000 2.607 38 L HA 0.154 4.494 4.340 -0.000 0.000 0.228 38 L C 1.013 177.893 176.870 0.017 0.000 1.123 38 L CA 0.420 55.263 54.840 0.005 0.000 0.890 38 L CB -0.842 41.211 42.059 -0.010 0.000 1.103 38 L HN 0.244 nan 8.230 nan 0.000 0.468 39 N N -0.288 118.426 118.700 0.023 0.000 2.782 39 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 39 N C -0.111 175.419 175.510 0.034 0.000 1.101 39 N CA 0.652 53.716 53.050 0.024 0.000 0.764 39 N CB -1.045 37.451 38.487 0.015 0.000 1.122 39 N HN 0.249 nan 8.380 nan 0.000 0.561 40 L N -0.270 120.984 121.223 0.050 0.000 2.376 40 L HA 0.437 4.777 4.340 -0.000 0.000 0.267 40 L C 1.074 177.991 176.870 0.079 0.000 1.035 40 L CA -0.601 54.281 54.840 0.069 0.000 0.800 40 L CB 1.347 43.468 42.059 0.104 0.000 1.290 40 L HN 0.098 nan 8.230 nan 0.000 0.462 41 S N -1.220 114.530 115.700 0.085 0.000 2.586 41 S HA 0.109 4.579 4.470 -0.000 0.000 0.274 41 S C 0.775 175.459 174.600 0.139 0.000 1.281 41 S CA -0.292 57.968 58.200 0.101 0.000 1.035 41 S CB 0.538 63.781 63.200 0.071 0.000 0.962 41 S HN 0.524 nan 8.310 nan 0.000 0.512 42 Y N 4.280 124.613 120.300 0.055 0.000 2.081 42 Y HA -0.215 4.335 4.550 -0.000 0.000 0.280 42 Y C 2.375 178.325 175.900 0.084 0.000 1.163 42 Y CA 2.368 60.503 58.100 0.060 0.000 1.135 42 Y CB -0.209 38.276 38.460 0.041 0.000 0.970 42 Y HN 0.809 nan 8.280 nan 0.000 0.498 43 K N 0.082 120.406 120.400 -0.126 0.000 2.103 43 K HA -0.273 4.047 4.320 -0.000 0.000 0.207 43 K C 2.120 178.688 176.600 -0.054 0.000 1.048 43 K CA 1.971 58.159 56.287 -0.165 0.000 0.930 43 K CB -0.186 32.305 32.500 -0.015 0.000 0.716 43 K HN 0.549 nan 8.250 nan 0.000 0.444 44 Q N -0.078 119.744 119.800 0.036 0.000 2.030 44 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 44 Q C 2.141 178.279 176.000 0.231 0.000 0.986 44 Q CA 1.827 57.715 55.803 0.142 0.000 0.843 44 Q CB -0.018 28.805 28.738 0.142 0.000 0.904 44 Q HN 0.139 nan 8.270 nan 0.000 0.420 45 V N 1.140 121.152 119.914 0.163 0.000 2.261 45 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 45 V C 2.290 178.549 176.094 0.276 0.000 1.047 45 V CA 2.073 64.509 62.300 0.226 0.000 1.015 45 V CB -0.554 31.369 31.823 0.166 0.000 0.642 45 V HN 0.349 nan 8.190 nan 0.000 0.446 46 K N -0.319 120.080 120.400 -0.001 0.000 2.044 46 K HA -0.226 4.093 4.320 -0.000 0.000 0.210 46 K C 2.160 178.814 176.600 0.090 0.000 1.049 46 K CA 2.226 58.481 56.287 -0.053 0.000 0.927 46 K CB -0.408 31.840 32.500 -0.419 0.000 0.713 46 K HN 0.524 nan 8.250 nan 0.000 0.443 47 T N -0.072 114.526 114.554 0.072 0.000 2.720 47 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 47 T C 1.175 175.960 174.700 0.142 0.000 1.037 47 T CA 1.587 63.744 62.100 0.096 0.000 1.144 47 T CB -0.403 68.522 68.868 0.094 0.000 0.864 47 T HN 0.517 nan 8.240 nan 0.000 0.444 48 W N 0.739 122.072 121.300 0.055 0.000 2.355 48 W HA -0.067 4.593 4.660 -0.000 0.000 0.309 48 W C 1.705 178.142 176.519 -0.137 0.000 1.206 48 W CA 0.839 58.158 57.345 -0.044 0.000 1.284 48 W CB -0.582 28.814 29.460 -0.107 0.000 1.145 48 W HN 0.167 nan 8.180 nan 0.000 0.502 49 F N 0.680 120.735 119.950 0.175 0.000 2.095 49 F HA -0.321 4.206 4.527 -0.000 0.000 0.298 49 F C 2.830 178.560 175.800 -0.117 0.000 1.104 49 F CA 2.523 60.547 58.000 0.042 0.000 1.232 49 F CB -1.206 37.880 39.000 0.143 0.000 0.987 49 F HN -0.027 nan 8.300 nan 0.000 0.475 50 Q N 0.346 120.206 119.800 0.100 0.000 2.061 50 Q HA -0.245 4.094 4.340 -0.000 0.000 0.204 50 Q C 1.972 177.927 176.000 -0.076 0.000 0.984 50 Q CA 1.895 57.711 55.803 0.021 0.000 0.846 50 Q CB -0.178 28.581 28.738 0.036 0.000 0.902 50 Q HN 0.327 nan 8.270 nan 0.000 0.421 51 N N -0.124 118.475 118.700 -0.169 0.000 2.244 51 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 51 N C 1.671 176.984 175.510 -0.328 0.000 1.016 51 N CA 0.983 53.896 53.050 -0.227 0.000 0.866 51 N CB -0.108 38.229 38.487 -0.249 0.000 0.980 51 N HN 0.258 nan 8.380 nan 0.000 0.430 52 Q N 0.991 120.454 119.800 -0.561 0.000 2.083 52 Q HA 0.098 4.438 4.340 -0.000 0.000 0.198 52 Q C 2.007 177.925 176.000 -0.138 0.000 0.969 52 Q CA 1.131 56.504 55.803 -0.716 0.000 0.838 52 Q CB -0.038 27.702 28.738 -1.663 0.000 0.900 52 Q HN 0.339 nan 8.270 nan 0.000 0.436 53 R N -0.830 119.687 120.500 0.030 0.000 2.066 53 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 53 R C 1.931 178.324 176.300 0.156 0.000 1.131 53 R CA 1.290 57.543 56.100 0.256 0.000 0.955 53 R CB -0.260 30.117 30.300 0.129 0.000 0.851 53 R HN 0.265 nan 8.270 nan 0.000 0.432 54 M N 1.092 120.717 119.600 0.041 0.000 2.358 54 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 54 M C 1.718 178.005 176.300 -0.021 0.000 1.064 54 M CA 1.366 56.671 55.300 0.008 0.000 1.093 54 M CB -0.622 31.968 32.600 -0.017 0.000 1.401 54 M HN 0.056 nan 8.290 nan 0.000 0.440 55 K N -0.264 120.120 120.400 -0.026 0.000 2.147 55 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 55 K C 0.706 177.225 176.600 -0.136 0.000 1.049 55 K CA 1.047 57.294 56.287 -0.067 0.000 0.936 55 K CB 0.139 32.605 32.500 -0.058 0.000 0.722 55 K HN 0.583 nan 8.250 nan 0.000 0.446 56 C N -2.252 116.954 119.300 -0.158 0.000 3.171 56 C HA 0.355 4.815 4.460 -0.000 0.000 0.336 56 C C 0.820 175.688 174.990 -0.205 0.000 1.198 56 C CA -1.387 57.453 59.018 -0.296 0.000 1.319 56 C CB 1.772 29.147 27.740 -0.609 0.000 1.682 56 C HN 0.211 nan 8.230 nan 0.000 0.497 57 K N 1.080 121.387 120.400 -0.154 0.000 2.103 57 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 57 K C 2.144 178.721 176.600 -0.038 0.000 1.048 57 K CA 2.208 58.457 56.287 -0.063 0.000 0.930 57 K CB -0.114 32.351 32.500 -0.058 0.000 0.716 57 K HN 0.839 nan 8.250 nan 0.000 0.444 58 R N -0.203 120.211 120.500 -0.143 0.000 2.339 58 R HA -0.079 4.261 4.340 -0.000 0.000 0.199 58 R C 0.713 177.099 176.300 0.144 0.000 1.018 58 R CA 0.688 56.751 56.100 -0.061 0.000 1.036 58 R CB -0.035 30.183 30.300 -0.136 0.000 0.899 58 R HN 0.227 nan 8.270 nan 0.000 0.473 59 W N 1.344 122.686 121.300 0.071 0.000 3.177 59 W HA 0.310 4.970 4.660 -0.000 0.000 0.309 59 W C 0.295 176.886 176.519 0.120 0.000 1.224 59 W CA -0.676 56.723 57.345 0.091 0.000 1.718 59 W CB -0.131 29.428 29.460 0.165 0.000 1.078 59 W HN 0.146 nan 8.180 nan 0.000 0.618 60 Q N 0.000 119.980 119.800 0.301 0.000 2.315 60 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 60 Q CA 0.000 55.967 55.803 0.273 0.000 1.022 60 Q CB 0.000 28.841 28.738 0.171 0.000 1.108 60 Q HN 0.000 nan 8.270 nan 0.000 0.481