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 3hlu_1_B DATA FIRST_RESID 3 DATA SEQUENCE DQQTXVYIVS AKRKIIADRX LQELDLGVTX LQAVGAYKNN ETEVIXCVXR DATA SEQUENCE KATLVKVRNL LKEVDPDAFX IVS 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 3 D HA 0.000 nan 4.640 nan 0.000 0.000 3 D C 0.000 176.296 176.300 -0.007 0.000 0.000 3 D CA 0.000 53.997 54.000 -0.005 0.000 0.000 3 D CB 0.000 40.798 40.800 -0.003 0.000 0.000 4 Q N 1.081 120.877 119.800 -0.006 0.000 2.327 4 Q HA 0.393 4.733 4.340 -0.000 0.000 0.254 4 Q C -0.381 175.612 176.000 -0.012 0.000 0.952 4 Q CA -0.053 55.746 55.803 -0.008 0.000 0.884 4 Q CB 0.939 29.674 28.738 -0.005 0.000 1.224 4 Q HN 0.243 nan 8.270 nan 0.000 0.422 5 Q N 1.745 121.536 119.800 -0.014 0.000 2.311 5 Q HA 0.109 4.449 4.340 -0.000 0.000 0.272 5 Q C -0.200 175.785 176.000 -0.026 0.000 1.012 5 Q CA 0.415 56.205 55.803 -0.021 0.000 0.891 5 Q CB 0.626 29.350 28.738 -0.023 0.000 1.201 5 Q HN 0.625 nan 8.270 nan 0.000 0.391 9 Y N 4.246 124.537 120.300 -0.016 0.000 2.341 9 Y HA 0.777 5.327 4.550 -0.000 0.000 0.337 9 Y C 0.197 176.048 175.900 -0.080 0.000 1.014 9 Y CA -0.819 57.257 58.100 -0.040 0.000 1.111 9 Y CB 1.690 40.133 38.460 -0.028 0.000 1.194 9 Y HN 0.440 nan 8.280 nan 0.000 0.462 10 I N 4.013 124.594 120.570 0.019 0.000 2.389 10 I HA 0.376 4.546 4.170 -0.000 0.000 0.288 10 I C -0.971 175.031 176.117 -0.190 0.000 0.999 10 I CA -0.983 60.254 61.300 -0.104 0.000 1.129 10 I CB 1.475 39.428 38.000 -0.078 0.000 1.288 10 I HN 0.290 nan 8.210 nan 0.000 0.444 11 V N 5.107 124.753 119.914 -0.448 0.000 2.394 11 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 11 V C 0.029 175.886 176.094 -0.394 0.000 1.031 11 V CA -0.188 61.812 62.300 -0.500 0.000 0.881 11 V CB 1.371 32.628 31.823 -0.944 0.000 0.982 11 V HN 0.821 nan 8.190 nan 0.000 0.451 12 S N 3.213 118.801 115.700 -0.187 0.000 2.560 12 S HA 0.567 5.037 4.470 -0.000 0.000 0.283 12 S C 0.627 175.200 174.600 -0.045 0.000 1.141 12 S CA 0.183 58.324 58.200 -0.098 0.000 0.902 12 S CB 1.706 64.857 63.200 -0.081 0.000 1.104 12 S HN 1.102 nan 8.310 nan 0.000 0.454 13 A N 3.588 126.399 122.820 -0.015 0.000 1.978 13 A HA 0.038 4.358 4.320 -0.000 0.000 0.220 13 A C 1.344 178.924 177.584 -0.007 0.000 1.170 13 A CA 1.202 53.237 52.037 -0.003 0.000 0.636 13 A CB -0.291 18.715 19.000 0.010 0.000 0.810 13 A HN 0.649 nan 8.150 nan 0.000 0.448 14 K N 0.226 120.620 120.400 -0.010 0.000 2.675 14 K HA 0.076 4.396 4.320 -0.000 0.000 0.213 14 K C 1.333 177.925 176.600 -0.015 0.000 1.074 14 K CA -0.059 56.223 56.287 -0.008 0.000 1.172 14 K CB 0.093 32.591 32.500 -0.004 0.000 0.927 14 K HN 0.680 nan 8.250 nan 0.000 0.471 15 R N 1.221 121.709 120.500 -0.020 0.000 2.096 15 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 15 R C 1.128 177.419 176.300 -0.016 0.000 1.127 15 R CA 1.237 57.322 56.100 -0.025 0.000 0.968 15 R CB -0.211 30.070 30.300 -0.031 0.000 0.861 15 R HN 0.087 nan 8.270 nan 0.000 0.440 16 K N 0.615 121.008 120.400 -0.011 0.000 2.063 16 K HA -0.045 4.275 4.320 -0.000 0.000 0.208 16 K C 2.301 178.896 176.600 -0.008 0.000 1.048 16 K CA 1.925 58.207 56.287 -0.008 0.000 0.928 16 K CB -0.248 32.249 32.500 -0.006 0.000 0.713 16 K HN 0.225 nan 8.250 nan 0.000 0.442 17 I N 1.069 121.635 120.570 -0.007 0.000 2.252 17 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 17 I C 2.481 178.593 176.117 -0.008 0.000 1.102 17 I CA 0.948 62.244 61.300 -0.006 0.000 1.385 17 I CB -0.426 37.572 38.000 -0.005 0.000 1.064 17 I HN 0.181 nan 8.210 nan 0.000 0.414 18 I N 0.239 120.802 120.570 -0.011 0.000 2.439 18 I HA -0.083 4.087 4.170 -0.000 0.000 0.251 18 I C 2.533 178.642 176.117 -0.014 0.000 1.139 18 I CA 1.509 62.801 61.300 -0.013 0.000 1.438 18 I CB -0.318 37.672 38.000 -0.018 0.000 1.085 18 I HN 0.035 nan 8.210 nan 0.000 0.427 19 A N 1.016 123.827 122.820 -0.014 0.000 1.930 19 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 19 A C 1.898 179.476 177.584 -0.011 0.000 1.175 19 A CA 2.038 54.066 52.037 -0.014 0.000 0.627 19 A CB -0.795 18.198 19.000 -0.012 0.000 0.815 19 A HN 0.517 nan 8.150 nan 0.000 0.443 20 D N -0.284 120.111 120.400 -0.009 0.000 2.084 20 D HA -0.036 4.604 4.640 -0.000 0.000 0.196 20 D C 1.321 177.617 176.300 -0.007 0.000 0.985 20 D CA 0.629 54.625 54.000 -0.007 0.000 0.826 20 D CB -0.275 40.522 40.800 -0.006 0.000 0.978 20 D HN 0.387 nan 8.370 nan 0.000 0.456 24 Q N 0.795 120.591 119.800 -0.007 0.000 2.016 24 Q HA -0.025 4.315 4.340 -0.000 0.000 0.200 24 Q C 1.403 177.400 176.000 -0.005 0.000 0.978 24 Q CA 2.688 58.488 55.803 -0.005 0.000 0.833 24 Q CB 0.058 28.793 28.738 -0.005 0.000 0.895 24 Q HN 0.700 nan 8.270 nan 0.000 0.427 25 E N -1.381 118.816 120.200 -0.006 0.000 2.476 25 E HA 0.052 4.402 4.350 -0.000 0.000 0.199 25 E C 0.304 176.901 176.600 -0.006 0.000 1.021 25 E CA 0.017 56.414 56.400 -0.005 0.000 0.907 25 E CB 0.667 30.364 29.700 -0.004 0.000 0.974 25 E HN 0.121 nan 8.360 nan 0.000 0.489 26 L N 0.204 121.422 121.223 -0.007 0.000 3.039 26 L HA 0.138 4.478 4.340 -0.000 0.000 0.269 26 L C -0.142 176.722 176.870 -0.009 0.000 1.169 26 L CA 0.562 55.397 54.840 -0.008 0.000 0.986 26 L CB 0.203 42.256 42.059 -0.010 0.000 1.377 26 L HN 0.026 nan 8.230 nan 0.000 0.575 27 D N 0.432 120.827 120.400 -0.009 0.000 3.041 27 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 27 D C 0.303 176.596 176.300 -0.011 0.000 1.157 27 D CA 0.489 54.483 54.000 -0.009 0.000 0.876 27 D CB -1.111 39.685 40.800 -0.008 0.000 1.107 27 D HN 0.231 nan 8.370 nan 0.000 0.422 28 L N 0.885 122.101 121.223 -0.013 0.000 2.305 28 L HA 0.424 4.764 4.340 -0.000 0.000 0.281 28 L C 1.455 178.315 176.870 -0.016 0.000 1.085 28 L CA -0.154 54.676 54.840 -0.016 0.000 0.813 28 L CB 1.387 43.434 42.059 -0.020 0.000 1.157 28 L HN -0.022 nan 8.230 nan 0.000 0.436 29 G N 3.296 112.085 108.800 -0.018 0.000 2.365 29 G HA2 0.462 4.422 3.960 -0.000 0.000 0.293 29 G HA3 0.462 4.422 3.960 -0.000 0.000 0.293 29 G C -0.410 174.477 174.900 -0.022 0.000 1.128 29 G CA -0.243 44.847 45.100 -0.017 0.000 0.971 29 G HN 0.469 nan 8.290 nan 0.000 0.422 30 V N 0.981 120.883 119.914 -0.019 0.000 2.864 30 V HA 0.949 5.069 4.120 -0.000 0.000 0.314 30 V C 0.049 176.135 176.094 -0.013 0.000 1.073 30 V CA -0.261 62.026 62.300 -0.022 0.000 0.956 30 V CB 1.671 33.480 31.823 -0.022 0.000 1.023 30 V HN 0.817 nan 8.190 nan 0.000 0.435 34 Q N 1.548 121.357 119.800 0.015 0.000 2.314 34 Q HA 0.715 5.055 4.340 -0.000 0.000 0.259 34 Q C -0.291 175.706 176.000 -0.004 0.000 0.951 34 Q CA -0.078 55.729 55.803 0.006 0.000 0.909 34 Q CB 1.975 30.718 28.738 0.007 0.000 1.236 34 Q HN 0.649 nan 8.270 nan 0.000 0.444 35 A N 2.983 125.796 122.820 -0.011 0.000 2.316 35 A HA 0.484 4.804 4.320 -0.000 0.000 0.284 35 A C -0.637 176.938 177.584 -0.016 0.000 1.115 35 A CA -0.616 51.405 52.037 -0.026 0.000 0.812 35 A CB 0.838 19.819 19.000 -0.032 0.000 1.064 35 A HN 0.599 nan 8.150 nan 0.000 0.489 36 V N 3.002 122.901 119.914 -0.025 0.000 2.370 36 V HA 0.373 4.493 4.120 -0.000 0.000 0.257 36 V C 1.251 177.334 176.094 -0.017 0.000 1.064 36 V CA 0.361 62.650 62.300 -0.019 0.000 0.975 36 V CB -0.009 31.798 31.823 -0.028 0.000 1.067 36 V HN 1.050 nan 8.190 nan 0.000 0.485 37 G N 3.369 112.169 108.800 0.000 0.000 2.599 37 G HA2 0.438 4.398 3.960 -0.000 0.000 0.264 37 G HA3 0.438 4.398 3.960 -0.000 0.000 0.264 37 G C 1.136 176.018 174.900 -0.030 0.000 1.200 37 G CA 0.037 45.141 45.100 0.007 0.000 0.896 37 G HN 0.862 nan 8.290 nan 0.000 0.536 38 A N -0.287 122.498 122.820 -0.059 0.000 1.958 38 A HA -0.008 4.312 4.320 -0.000 0.000 0.221 38 A C 0.618 177.991 177.584 -0.352 0.000 1.178 38 A CA 1.196 53.104 52.037 -0.215 0.000 0.642 38 A CB -0.503 18.342 19.000 -0.258 0.000 0.816 38 A HN 0.561 nan 8.150 nan 0.000 0.453 39 Y N -2.258 118.041 120.300 -0.002 0.000 2.509 39 Y HA 0.406 4.956 4.550 0.000 0.000 0.341 39 Y C 1.101 176.999 175.900 -0.003 0.000 1.038 39 Y CA -0.949 57.150 58.100 -0.002 0.000 1.089 39 Y CB 1.727 40.187 38.460 -0.001 0.000 1.241 39 Y HN -0.055 nan 8.280 nan 0.000 0.468 40 K N 0.475 120.979 120.400 0.173 0.000 2.217 40 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 40 K C 0.878 177.525 176.600 0.078 0.000 1.051 40 K CA 1.390 57.732 56.287 0.092 0.000 0.952 40 K CB -0.074 32.464 32.500 0.063 0.000 0.736 40 K HN 0.664 nan 8.250 nan 0.000 0.453 41 N N 1.085 119.836 118.700 0.085 0.000 2.166 41 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 41 N C 0.514 176.048 175.510 0.040 0.000 1.019 41 N CA 0.716 53.789 53.050 0.038 0.000 0.856 41 N CB -0.229 38.254 38.487 -0.006 0.000 0.993 41 N HN 0.016 nan 8.380 nan 0.000 0.426 42 N N 2.593 121.338 118.700 0.075 0.000 2.892 42 N HA -0.016 4.724 4.740 -0.000 0.000 0.300 42 N C -0.867 174.673 175.510 0.051 0.000 1.211 42 N CA 0.258 53.349 53.050 0.068 0.000 1.158 42 N CB -0.273 38.284 38.487 0.117 0.000 1.455 42 N HN 0.402 nan 8.380 nan 0.000 0.524 43 E N 0.267 120.486 120.200 0.032 0.000 2.376 43 E HA 0.048 4.398 4.350 -0.000 0.000 0.266 43 E C 0.219 176.830 176.600 0.019 0.000 1.009 43 E CA 0.303 56.717 56.400 0.023 0.000 0.902 43 E CB 0.866 30.575 29.700 0.015 0.000 0.972 43 E HN 0.182 nan 8.360 nan 0.000 0.439 44 T N 2.113 116.675 114.554 0.014 0.000 2.991 44 T HA 0.244 4.594 4.350 -0.000 0.000 0.303 44 T C -1.189 173.511 174.700 0.001 0.000 1.015 44 T CA -0.922 61.183 62.100 0.008 0.000 1.007 44 T CB 0.959 69.835 68.868 0.013 0.000 1.034 44 T HN 0.510 nan 8.240 nan 0.000 0.446 45 E N 2.757 122.955 120.200 -0.003 0.000 2.212 45 E HA 0.775 5.125 4.350 -0.000 0.000 0.270 45 E C -1.033 175.561 176.600 -0.011 0.000 0.956 45 E CA -1.103 55.295 56.400 -0.003 0.000 0.825 45 E CB 2.119 31.820 29.700 0.001 0.000 1.167 45 E HN 0.325 nan 8.360 nan 0.000 0.400 46 V N 3.070 122.985 119.914 0.001 0.000 2.680 46 V HA 0.354 4.474 4.120 -0.000 0.000 0.309 46 V C -0.009 176.105 176.094 0.034 0.000 1.052 46 V CA -0.711 61.592 62.300 0.006 0.000 0.908 46 V CB 1.701 33.534 31.823 0.017 0.000 1.001 46 V HN 0.673 nan 8.190 nan 0.000 0.431 53 K N 1.099 121.491 120.400 -0.012 0.000 2.442 53 K HA -0.111 4.209 4.320 -0.000 0.000 0.200 53 K C 1.004 177.601 176.600 -0.006 0.000 1.045 53 K CA 2.084 58.366 56.287 -0.009 0.000 0.937 53 K CB 0.098 32.595 32.500 -0.005 0.000 0.757 53 K HN 0.604 nan 8.250 nan 0.000 0.474 54 A N -0.185 122.630 122.820 -0.007 0.000 2.229 54 A HA 0.085 4.405 4.320 -0.000 0.000 0.211 54 A C 1.721 179.301 177.584 -0.006 0.000 1.193 54 A CA 0.325 52.358 52.037 -0.005 0.000 0.879 54 A CB 0.082 19.079 19.000 -0.005 0.000 0.911 54 A HN 0.336 nan 8.150 nan 0.000 0.492 55 T N 0.489 115.038 114.554 -0.010 0.000 2.915 55 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 55 T C 1.740 176.434 174.700 -0.010 0.000 1.071 55 T CA 1.282 63.375 62.100 -0.011 0.000 1.132 55 T CB -0.269 68.589 68.868 -0.016 0.000 0.878 55 T HN 0.271 nan 8.240 nan 0.000 0.479 56 L N 1.267 122.484 121.223 -0.010 0.000 2.042 56 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 56 L C 2.425 179.294 176.870 -0.001 0.000 1.076 56 L CA 1.387 56.222 54.840 -0.007 0.000 0.749 56 L CB -0.517 41.539 42.059 -0.004 0.000 0.893 56 L HN 0.079 nan 8.230 nan 0.000 0.432 57 V N -0.602 119.312 119.914 0.000 0.000 2.343 57 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 57 V C 2.509 178.604 176.094 0.002 0.000 1.051 57 V CA 2.010 64.311 62.300 0.003 0.000 1.036 57 V CB -0.624 31.200 31.823 0.003 0.000 0.654 57 V HN 0.448 nan 8.190 nan 0.000 0.451 58 K N -0.384 120.015 120.400 -0.001 0.000 2.103 58 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 58 K C 2.040 178.638 176.600 -0.002 0.000 1.048 58 K CA 1.394 57.680 56.287 -0.002 0.000 0.930 58 K CB -0.334 32.164 32.500 -0.004 0.000 0.716 58 K HN 0.338 nan 8.250 nan 0.000 0.444 59 V N 1.029 120.940 119.914 -0.004 0.000 2.379 59 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 59 V C 2.333 178.427 176.094 0.000 0.000 1.044 59 V CA 1.292 63.589 62.300 -0.005 0.000 1.036 59 V CB -0.417 31.400 31.823 -0.011 0.000 0.664 59 V HN 0.290 nan 8.190 nan 0.000 0.453 60 R N 0.475 120.978 120.500 0.005 0.000 2.103 60 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 60 R C 2.115 178.422 176.300 0.012 0.000 1.142 60 R CA 1.995 58.103 56.100 0.013 0.000 0.960 60 R CB -0.337 29.972 30.300 0.016 0.000 0.858 60 R HN 0.521 nan 8.270 nan 0.000 0.439 61 N N 0.715 119.420 118.700 0.008 0.000 2.331 61 N HA -0.143 4.597 4.740 -0.000 0.000 0.180 61 N C 1.574 177.087 175.510 0.006 0.000 1.019 61 N CA 0.531 53.586 53.050 0.007 0.000 0.881 61 N CB -0.272 38.218 38.487 0.005 0.000 0.972 61 N HN 0.152 nan 8.380 nan 0.000 0.435 62 L N 1.103 122.328 121.223 0.003 0.000 2.093 62 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 62 L C 1.830 178.702 176.870 0.003 0.000 1.085 62 L CA 1.267 56.107 54.840 0.001 0.000 0.755 62 L CB -0.672 41.385 42.059 -0.003 0.000 0.904 62 L HN 0.086 nan 8.230 nan 0.000 0.435 63 L N -0.652 120.574 121.223 0.005 0.000 2.017 63 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 63 L C 2.584 179.462 176.870 0.014 0.000 1.073 63 L CA 1.620 56.465 54.840 0.009 0.000 0.745 63 L CB -0.694 41.374 42.059 0.015 0.000 0.894 63 L HN 0.252 nan 8.230 nan 0.000 0.432 64 K N 0.249 120.659 120.400 0.016 0.000 2.089 64 K HA -0.243 4.077 4.320 -0.000 0.000 0.210 64 K C 1.895 178.503 176.600 0.013 0.000 1.048 64 K CA 1.850 58.147 56.287 0.017 0.000 0.926 64 K CB -0.155 32.354 32.500 0.015 0.000 0.714 64 K HN 0.420 nan 8.250 nan 0.000 0.448 65 E N -0.262 119.944 120.200 0.009 0.000 2.285 65 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 65 E C 1.541 178.145 176.600 0.007 0.000 0.997 65 E CA 0.743 57.148 56.400 0.007 0.000 0.845 65 E CB 0.420 30.122 29.700 0.005 0.000 0.782 65 E HN 0.088 nan 8.360 nan 0.000 0.491 66 V N 0.017 119.935 119.914 0.007 0.000 3.090 66 V HA 0.055 4.175 4.120 -0.000 0.000 0.237 66 V C -0.039 176.059 176.094 0.008 0.000 1.209 66 V CA 0.306 62.610 62.300 0.005 0.000 1.209 66 V CB 0.906 32.730 31.823 0.001 0.000 0.971 66 V HN 0.059 nan 8.190 nan 0.000 0.477 67 D N -0.544 119.863 120.400 0.012 0.000 2.319 67 D HA 0.288 4.928 4.640 -0.000 0.000 0.237 67 D C -2.388 173.931 176.300 0.031 0.000 1.353 67 D CA -1.450 52.562 54.000 0.019 0.000 0.992 67 D CB 2.138 42.945 40.800 0.013 0.000 1.368 67 D HN -0.005 nan 8.370 nan 0.000 0.564 68 P HA -0.015 nan 4.420 nan 0.000 0.223 68 P C 0.449 177.786 177.300 0.061 0.000 1.144 68 P CA 0.798 63.922 63.100 0.040 0.000 0.783 68 P CB 0.428 32.147 31.700 0.031 0.000 0.771 69 D N -1.334 119.109 120.400 0.071 0.000 2.360 69 D HA 0.122 4.762 4.640 -0.000 0.000 0.210 69 D C 0.924 177.336 176.300 0.185 0.000 1.047 69 D CA 0.107 54.175 54.000 0.112 0.000 0.854 69 D CB 0.003 40.858 40.800 0.093 0.000 0.936 69 D HN 0.073 nan 8.370 nan 0.000 0.514 70 A N 0.830 123.718 122.820 0.114 0.000 2.466 70 A HA 0.415 4.735 4.320 -0.000 0.000 0.238 70 A C -0.043 177.652 177.584 0.185 0.000 1.074 70 A CA 0.111 52.185 52.037 0.061 0.000 0.774 70 A CB -0.070 18.921 19.000 -0.016 0.000 1.015 70 A HN 0.183 nan 8.150 nan 0.000 0.498 74 V N 4.869 124.855 119.914 0.120 0.000 2.320 74 V HA 0.260 4.380 4.120 -0.000 0.000 0.265 74 V C 0.819 176.956 176.094 0.072 0.000 1.048 74 V CA 0.042 62.380 62.300 0.062 0.000 0.865 74 V CB 1.116 32.964 31.823 0.040 0.000 1.043 74 V HN 0.819 nan 8.190 nan 0.000 0.474 75 S N 0.000 115.741 115.700 0.068 0.000 2.498 75 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 75 S CA 0.000 58.254 58.200 0.090 0.000 1.107 75 S CB 0.000 63.256 63.200 0.093 0.000 0.593 75 S HN 0.000 nan 8.310 nan 0.000 0.517