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 3ogi_1_D DATA FIRST_RESID 7 DATA SEQUENCE TDPHAXRDXA GRFEVHAQTV EDEARRXWAS AQXXXXXXXX XXXXXXXXXT DATA SEQUENCE XAQXNQAFRN IVNXLHGVRD GLVRDANNYE QQEQASQQIL S 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.515 174.700 -0.308 0.000 1.109 7 T CA 0.000 61.970 62.100 -0.217 0.000 1.349 7 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 8 D N 3.636 123.750 120.400 -0.477 0.000 3.140 8 D HA 0.136 4.776 4.640 0.000 0.000 0.161 8 D C -2.056 174.106 176.300 -0.231 0.000 1.157 8 D CA -0.640 53.184 54.000 -0.294 0.000 1.640 8 D CB 1.032 41.765 40.800 -0.112 0.000 1.055 8 D HN 0.287 nan 8.370 nan 0.000 0.776 9 P HA -0.204 nan 4.420 nan 0.000 0.218 9 P C 1.372 178.680 177.300 0.014 0.000 1.146 9 P CA 1.084 64.116 63.100 -0.113 0.000 0.820 9 P CB 0.071 31.771 31.700 -0.001 0.000 0.778 10 H N 0.044 119.073 119.070 -0.068 0.000 2.307 10 H HA 0.082 4.638 4.556 -0.000 0.000 0.303 10 H C 1.068 176.379 175.328 -0.029 0.000 1.073 10 H CA 0.726 56.755 56.048 -0.032 0.000 1.338 10 H CB -0.048 29.701 29.762 -0.023 0.000 1.389 10 H HN 0.014 nan 8.280 nan 0.000 0.503 17 G N 0.639 109.477 108.800 0.064 0.000 2.491 17 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 17 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 17 G C 1.529 176.421 174.900 -0.015 0.000 1.180 17 G CA 1.412 46.522 45.100 0.017 0.000 0.774 17 G HN 0.527 nan 8.290 nan 0.000 0.562 18 R N -0.706 119.759 120.500 -0.059 0.000 2.103 18 R HA -0.093 4.247 4.340 0.000 0.000 0.242 18 R C 2.441 178.571 176.300 -0.284 0.000 1.142 18 R CA 1.574 57.536 56.100 -0.230 0.000 0.960 18 R CB -0.563 29.569 30.300 -0.279 0.000 0.858 18 R HN 0.435 nan 8.270 nan 0.000 0.439 19 F N 0.783 120.745 119.950 0.020 0.000 2.186 19 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 19 F C 2.568 178.421 175.800 0.087 0.000 1.090 19 F CA 1.336 59.406 58.000 0.118 0.000 1.307 19 F CB -0.334 38.733 39.000 0.112 0.000 1.019 19 F HN 0.023 nan 8.300 nan 0.000 0.489 20 E N 0.632 120.957 120.200 0.209 0.000 2.085 20 E HA -0.165 4.185 4.350 0.000 0.000 0.194 20 E C 2.168 178.814 176.600 0.075 0.000 0.994 20 E CA 1.482 57.974 56.400 0.154 0.000 0.801 20 E CB -0.602 29.156 29.700 0.098 0.000 0.743 20 E HN 0.162 nan 8.360 nan 0.000 0.453 21 V N 1.057 120.952 119.914 -0.033 0.000 2.332 21 V HA -0.275 3.845 4.120 0.000 0.000 0.248 21 V C 2.323 178.371 176.094 -0.076 0.000 1.055 21 V CA 2.183 64.423 62.300 -0.101 0.000 1.038 21 V CB -0.751 30.946 31.823 -0.210 0.000 0.651 21 V HN 0.434 nan 8.190 nan 0.000 0.450 22 H N 0.205 119.267 119.070 -0.013 0.000 2.353 22 H HA -0.077 4.479 4.556 0.000 0.000 0.300 22 H C 2.389 177.731 175.328 0.024 0.000 1.090 22 H CA 1.680 57.721 56.048 -0.011 0.000 1.327 22 H CB -0.619 29.122 29.762 -0.035 0.000 1.383 22 H HN 0.458 nan 8.280 nan 0.000 0.508 23 A N 1.284 124.208 122.820 0.174 0.000 1.883 23 A HA -0.241 4.079 4.320 0.000 0.000 0.217 23 A C 2.405 180.023 177.584 0.056 0.000 1.186 23 A CA 1.927 54.005 52.037 0.069 0.000 0.624 23 A CB -0.592 18.441 19.000 0.055 0.000 0.822 23 A HN 0.493 nan 8.150 nan 0.000 0.444 24 Q N -1.087 118.755 119.800 0.071 0.000 2.084 24 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 24 Q C 2.211 178.227 176.000 0.027 0.000 0.978 24 Q CA 1.814 57.644 55.803 0.046 0.000 0.844 24 Q CB -0.491 28.268 28.738 0.035 0.000 0.898 24 Q HN 0.680 nan 8.270 nan 0.000 0.426 25 T N 0.854 115.432 114.554 0.040 0.000 2.708 25 T HA -0.122 4.228 4.350 0.000 0.000 0.266 25 T C 2.087 176.811 174.700 0.040 0.000 1.037 25 T CA 1.438 63.563 62.100 0.042 0.000 1.146 25 T CB -0.245 68.665 68.868 0.070 0.000 0.865 25 T HN 0.056 nan 8.240 nan 0.000 0.435 26 V N 1.431 121.382 119.914 0.061 0.000 2.358 26 V HA -0.159 3.961 4.120 0.000 0.000 0.246 26 V C 2.451 178.528 176.094 -0.028 0.000 1.047 26 V CA 1.611 63.953 62.300 0.069 0.000 1.035 26 V CB -0.669 31.225 31.823 0.119 0.000 0.658 26 V HN 0.532 nan 8.190 nan 0.000 0.452 27 E N 0.113 120.291 120.200 -0.036 0.000 2.058 27 E HA -0.257 4.094 4.350 0.000 0.000 0.194 27 E C 1.996 178.525 176.600 -0.119 0.000 0.997 27 E CA 1.655 58.002 56.400 -0.088 0.000 0.801 27 E CB -0.204 29.472 29.700 -0.039 0.000 0.746 27 E HN 0.584 nan 8.360 nan 0.000 0.450 28 D N 0.398 120.758 120.400 -0.066 0.000 2.144 28 D HA -0.121 4.519 4.640 0.000 0.000 0.200 28 D C 1.688 177.942 176.300 -0.077 0.000 0.978 28 D CA 0.935 54.899 54.000 -0.060 0.000 0.833 28 D CB -0.104 40.680 40.800 -0.026 0.000 0.961 28 D HN 0.256 nan 8.370 nan 0.000 0.470 29 E N 0.526 120.684 120.200 -0.071 0.000 2.152 29 E HA -0.042 4.308 4.350 0.000 0.000 0.192 29 E C 2.078 178.572 176.600 -0.177 0.000 0.983 29 E CA 0.714 57.082 56.400 -0.053 0.000 0.818 29 E CB 0.034 29.754 29.700 0.034 0.000 0.758 29 E HN 0.164 nan 8.360 nan 0.000 0.467 30 A N 1.780 124.318 122.820 -0.471 0.000 1.877 30 A HA -0.225 4.095 4.320 0.000 0.000 0.216 30 A C 2.126 179.484 177.584 -0.376 0.000 1.186 30 A CA 1.597 53.060 52.037 -0.956 0.000 0.620 30 A CB -0.477 17.671 19.000 -1.420 0.000 0.822 30 A HN 0.084 nan 8.150 nan 0.000 0.443 31 R N -0.729 119.629 120.500 -0.237 0.000 2.091 31 R HA -0.111 4.230 4.340 0.000 0.000 0.238 31 R C 0.842 177.150 176.300 0.015 0.000 1.136 31 R CA 0.713 56.748 56.100 -0.109 0.000 0.959 31 R CB -0.161 30.074 30.300 -0.109 0.000 0.856 31 R HN 0.330 nan 8.270 nan 0.000 0.437 35 A N 1.664 124.629 122.820 0.242 0.000 1.858 35 A HA -0.128 4.192 4.320 0.000 0.000 0.216 35 A C 1.978 179.563 177.584 0.002 0.000 1.190 35 A CA 2.859 54.972 52.037 0.127 0.000 0.617 35 A CB -1.204 17.878 19.000 0.138 0.000 0.827 35 A HN 0.249 nan 8.150 nan 0.000 0.443 36 S N -0.149 115.561 115.700 0.016 0.000 2.372 36 S HA -0.207 4.263 4.470 0.000 0.000 0.227 36 S C 2.290 176.857 174.600 -0.055 0.000 1.044 36 S CA 1.591 59.787 58.200 -0.008 0.000 1.050 36 S CB -0.585 62.624 63.200 0.015 0.000 0.901 36 S HN 0.852 nan 8.310 nan 0.000 0.447 37 A N -0.079 122.684 122.820 -0.095 0.000 1.933 37 A HA -0.025 4.295 4.320 0.000 0.000 0.218 37 A C 0.901 178.351 177.584 -0.223 0.000 1.175 37 A CA 1.663 53.603 52.037 -0.162 0.000 0.628 37 A CB -0.406 18.465 19.000 -0.214 0.000 0.814 37 A HN 0.602 nan 8.150 nan 0.000 0.444 62 Q N 1.249 121.119 119.800 0.118 0.000 2.096 62 Q HA 0.170 4.510 4.340 0.000 0.000 0.204 62 Q C 1.746 177.774 176.000 0.048 0.000 0.982 62 Q CA 2.497 58.342 55.803 0.071 0.000 0.850 62 Q CB -0.587 28.177 28.738 0.044 0.000 0.901 62 Q HN 0.491 nan 8.270 nan 0.000 0.422 63 A N -0.505 122.316 122.820 0.001 0.000 1.865 63 A HA -0.170 4.150 4.320 0.000 0.000 0.217 63 A C 1.921 179.472 177.584 -0.054 0.000 1.191 63 A CA 1.596 53.585 52.037 -0.080 0.000 0.623 63 A CB -1.067 17.815 19.000 -0.197 0.000 0.826 63 A HN 0.464 nan 8.150 nan 0.000 0.444 64 F N 0.038 119.998 119.950 0.017 0.000 2.095 64 F HA -0.181 4.346 4.527 0.000 0.000 0.298 64 F C 2.598 178.392 175.800 -0.010 0.000 1.104 64 F CA 1.951 59.955 58.000 0.008 0.000 1.232 64 F CB -0.497 38.516 39.000 0.021 0.000 0.987 64 F HN 0.141 nan 8.300 nan 0.000 0.475 65 R N -0.191 120.423 120.500 0.189 0.000 2.096 65 R HA -0.150 4.190 4.340 0.000 0.000 0.235 65 R C 1.933 178.264 176.300 0.052 0.000 1.127 65 R CA 1.348 57.504 56.100 0.092 0.000 0.968 65 R CB -0.551 29.788 30.300 0.066 0.000 0.861 65 R HN 0.229 nan 8.270 nan 0.000 0.440 66 N N 0.883 119.609 118.700 0.043 0.000 2.104 66 N HA -0.145 4.595 4.740 0.000 0.000 0.190 66 N C 1.768 177.283 175.510 0.009 0.000 1.024 66 N CA 1.268 54.328 53.050 0.017 0.000 0.853 66 N CB -0.150 38.339 38.487 0.002 0.000 1.008 66 N HN 0.220 nan 8.380 nan 0.000 0.424 67 I N 0.029 120.611 120.570 0.020 0.000 2.163 67 I HA -0.213 3.957 4.170 0.000 0.000 0.240 67 I C 2.045 178.158 176.117 -0.007 0.000 1.081 67 I CA 0.751 62.062 61.300 0.017 0.000 1.353 67 I CB -0.326 37.699 38.000 0.042 0.000 1.054 67 I HN -0.086 nan 8.210 nan 0.000 0.407 68 V N 0.647 120.548 119.914 -0.021 0.000 2.287 68 V HA -0.240 3.880 4.120 0.000 0.000 0.248 68 V C 1.284 177.219 176.094 -0.266 0.000 1.053 68 V CA 1.363 63.560 62.300 -0.172 0.000 1.027 68 V CB -1.001 30.723 31.823 -0.166 0.000 0.646 68 V HN 0.426 nan 8.190 nan 0.000 0.447 72 H N 0.387 119.482 119.070 0.041 0.000 2.421 72 H HA -0.065 4.491 4.556 0.000 0.000 0.298 72 H C 2.051 177.368 175.328 -0.019 0.000 1.087 72 H CA 1.075 57.135 56.048 0.021 0.000 1.330 72 H CB 0.251 30.026 29.762 0.021 0.000 1.388 72 H HN 0.431 nan 8.280 nan 0.000 0.526 73 G N 0.283 109.131 108.800 0.079 0.000 2.421 73 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 73 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 73 G C 1.804 176.665 174.900 -0.066 0.000 1.171 73 G CA 0.949 46.051 45.100 0.004 0.000 0.775 73 G HN 0.220 nan 8.290 nan 0.000 0.543 74 V N 0.889 120.709 119.914 -0.156 0.000 2.343 74 V HA -0.181 3.939 4.120 0.000 0.000 0.247 74 V C 2.806 178.744 176.094 -0.260 0.000 1.051 74 V CA 2.185 64.282 62.300 -0.338 0.000 1.036 74 V CB -0.466 30.884 31.823 -0.789 0.000 0.654 74 V HN 0.429 nan 8.190 nan 0.000 0.451 75 R N 0.113 120.543 120.500 -0.117 0.000 2.070 75 R HA -0.191 4.149 4.340 0.000 0.000 0.233 75 R C 2.054 178.352 176.300 -0.002 0.000 1.137 75 R CA 2.224 58.330 56.100 0.010 0.000 0.945 75 R CB -0.459 29.915 30.300 0.122 0.000 0.845 75 R HN 0.482 nan 8.270 nan 0.000 0.430 76 D N -0.384 120.014 120.400 -0.003 0.000 2.117 76 D HA -0.107 4.533 4.640 0.000 0.000 0.197 76 D C 1.766 178.057 176.300 -0.016 0.000 0.987 76 D CA 1.589 55.584 54.000 -0.008 0.000 0.829 76 D CB -0.660 40.136 40.800 -0.007 0.000 0.961 76 D HN 0.519 nan 8.370 nan 0.000 0.460 77 G N 1.055 109.836 108.800 -0.033 0.000 2.459 77 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 77 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 77 G C 1.819 176.702 174.900 -0.029 0.000 1.183 77 G CA 0.496 45.575 45.100 -0.035 0.000 0.776 77 G HN 0.252 nan 8.290 nan 0.000 0.552 78 L N 0.144 121.342 121.223 -0.042 0.000 2.013 78 L HA -0.164 4.176 4.340 0.000 0.000 0.212 78 L C 3.022 179.890 176.870 -0.002 0.000 1.073 78 L CA 0.880 55.707 54.840 -0.021 0.000 0.753 78 L CB -0.607 41.447 42.059 -0.008 0.000 0.890 78 L HN 0.119 nan 8.230 nan 0.000 0.432 79 V N -0.461 119.454 119.914 0.003 0.000 2.427 79 V HA -0.268 3.852 4.120 0.000 0.000 0.248 79 V C 2.638 178.741 176.094 0.016 0.000 1.051 79 V CA 1.742 64.049 62.300 0.011 0.000 1.048 79 V CB -0.641 31.188 31.823 0.010 0.000 0.666 79 V HN 0.431 nan 8.190 nan 0.000 0.456 80 R N -0.074 120.432 120.500 0.010 0.000 2.075 80 R HA -0.161 4.179 4.340 0.000 0.000 0.232 80 R C 2.048 178.365 176.300 0.028 0.000 1.126 80 R CA 1.804 57.913 56.100 0.015 0.000 0.963 80 R CB -0.259 30.045 30.300 0.006 0.000 0.858 80 R HN 0.498 nan 8.270 nan 0.000 0.435 81 D N 0.431 120.845 120.400 0.023 0.000 2.084 81 D HA -0.152 4.488 4.640 0.000 0.000 0.194 81 D C 1.768 178.107 176.300 0.066 0.000 0.990 81 D CA 1.629 55.651 54.000 0.038 0.000 0.826 81 D CB -0.410 40.398 40.800 0.014 0.000 0.971 81 D HN 0.349 nan 8.370 nan 0.000 0.453 82 A N 1.413 124.258 122.820 0.042 0.000 1.873 82 A HA -0.257 4.063 4.320 0.000 0.000 0.218 82 A C 2.027 179.677 177.584 0.111 0.000 1.193 82 A CA 1.822 53.892 52.037 0.057 0.000 0.629 82 A CB -0.658 18.360 19.000 0.032 0.000 0.826 82 A HN 0.140 nan 8.150 nan 0.000 0.447 83 N N 0.687 119.433 118.700 0.076 0.000 2.043 83 N HA -0.163 4.577 4.740 0.000 0.000 0.193 83 N C 1.456 177.015 175.510 0.082 0.000 1.037 83 N CA 1.643 54.735 53.050 0.070 0.000 0.851 83 N CB -0.739 37.774 38.487 0.043 0.000 1.027 83 N HN 0.497 nan 8.380 nan 0.000 0.422 84 N N 0.358 119.105 118.700 0.079 0.000 2.137 84 N HA -0.200 4.540 4.740 0.000 0.000 0.190 84 N C 1.703 177.271 175.510 0.097 0.000 1.017 84 N CA 0.816 53.909 53.050 0.072 0.000 0.859 84 N CB -0.629 37.898 38.487 0.066 0.000 1.002 84 N HN 0.459 nan 8.380 nan 0.000 0.428 85 Y N 1.363 121.669 120.300 0.010 0.000 2.263 85 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 85 Y C 2.087 177.994 175.900 0.012 0.000 1.130 85 Y CA 1.388 59.495 58.100 0.012 0.000 1.179 85 Y CB 0.044 38.513 38.460 0.016 0.000 0.998 85 Y HN 0.096 nan 8.280 nan 0.000 0.532 86 E N -0.353 119.948 120.200 0.168 0.000 2.072 86 E HA -0.232 4.118 4.350 0.000 0.000 0.190 86 E C 2.151 178.739 176.600 -0.019 0.000 0.982 86 E CA 0.868 57.312 56.400 0.072 0.000 0.803 86 E CB -0.180 29.590 29.700 0.116 0.000 0.755 86 E HN 0.373 nan 8.360 nan 0.000 0.453 87 Q N 1.066 120.865 119.800 -0.001 0.000 2.234 87 Q HA -0.249 4.091 4.340 0.000 0.000 0.206 87 Q C 1.980 177.950 176.000 -0.050 0.000 0.980 87 Q CA 1.960 57.753 55.803 -0.016 0.000 0.869 87 Q CB 0.081 28.819 28.738 0.000 0.000 0.912 87 Q HN 0.531 nan 8.270 nan 0.000 0.436 88 Q N -1.412 118.332 119.800 -0.094 0.000 2.259 88 Q HA -0.000 4.340 4.340 0.000 0.000 0.201 88 Q C 1.831 177.732 176.000 -0.166 0.000 0.938 88 Q CA 0.645 56.376 55.803 -0.120 0.000 0.872 88 Q CB -0.356 28.311 28.738 -0.120 0.000 0.971 88 Q HN 0.290 nan 8.270 nan 0.000 0.494 89 E N 1.143 121.186 120.200 -0.262 0.000 2.058 89 E HA -0.299 4.051 4.350 0.000 0.000 0.194 89 E C 2.187 178.718 176.600 -0.114 0.000 0.997 89 E CA 1.581 57.843 56.400 -0.231 0.000 0.801 89 E CB 0.040 29.569 29.700 -0.284 0.000 0.746 89 E HN 0.525 nan 8.360 nan 0.000 0.450 90 Q N -0.315 119.434 119.800 -0.085 0.000 2.050 90 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 90 Q C 2.067 178.041 176.000 -0.043 0.000 0.980 90 Q CA 1.582 57.357 55.803 -0.046 0.000 0.840 90 Q CB -0.175 28.546 28.738 -0.029 0.000 0.898 90 Q HN 0.336 nan 8.270 nan 0.000 0.424 91 A N 0.338 123.129 122.820 -0.048 0.000 1.933 91 A HA -0.185 4.135 4.320 0.000 0.000 0.218 91 A C 2.159 179.720 177.584 -0.038 0.000 1.175 91 A CA 1.804 53.818 52.037 -0.038 0.000 0.628 91 A CB -0.775 18.203 19.000 -0.037 0.000 0.814 91 A HN 0.577 nan 8.150 nan 0.000 0.444 92 S N -1.112 114.557 115.700 -0.051 0.000 2.423 92 S HA -0.166 4.304 4.470 0.000 0.000 0.231 92 S C 1.785 176.364 174.600 -0.034 0.000 1.014 92 S CA 1.319 59.492 58.200 -0.044 0.000 0.965 92 S CB -0.298 62.867 63.200 -0.057 0.000 0.785 92 S HN 0.498 nan 8.310 nan 0.000 0.495 93 Q N 1.183 120.962 119.800 -0.035 0.000 2.245 93 Q HA 0.111 4.451 4.340 0.000 0.000 0.201 93 Q C 2.152 178.140 176.000 -0.019 0.000 0.955 93 Q CA 1.146 56.933 55.803 -0.026 0.000 0.870 93 Q CB -0.438 28.285 28.738 -0.025 0.000 0.945 93 Q HN 0.796 nan 8.270 nan 0.000 0.461 94 Q N -0.342 119.446 119.800 -0.020 0.000 2.331 94 Q HA 0.090 4.430 4.340 0.000 0.000 0.203 94 Q C 1.905 177.897 176.000 -0.014 0.000 0.944 94 Q CA 0.440 56.233 55.803 -0.015 0.000 0.892 94 Q CB 0.225 28.954 28.738 -0.014 0.000 0.983 94 Q HN 0.346 nan 8.270 nan 0.000 0.482 95 I N 0.324 120.884 120.570 -0.017 0.000 2.546 95 I HA -0.167 4.003 4.170 0.000 0.000 0.255 95 I C 1.325 177.434 176.117 -0.013 0.000 1.163 95 I CA 1.017 62.308 61.300 -0.015 0.000 1.457 95 I CB 0.135 38.125 38.000 -0.018 0.000 1.092 95 I HN 0.174 nan 8.210 nan 0.000 0.434 96 L N 0.460 121.674 121.223 -0.014 0.000 2.965 96 L HA 0.195 4.535 4.340 0.000 0.000 0.254 96 L C 1.036 177.900 176.870 -0.010 0.000 1.220 96 L CA -0.333 54.500 54.840 -0.012 0.000 1.023 96 L CB -0.210 41.841 42.059 -0.013 0.000 1.355 96 L HN 0.188 nan 8.230 nan 0.000 0.545 97 S N 0.000 115.694 115.700 -0.010 0.000 2.498 97 S HA 0.000 4.470 4.470 0.000 0.000 0.327 97 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 97 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 97 S HN 0.000 nan 8.310 nan 0.000 0.517