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 1yig_1_B DATA FIRST_RESID 190 DATA SEQUENCE DDEAAELXQQ VNVLKLTVED LEKERDFYFG KLRNIELICQ ENEGENDPVL DATA SEQUENCE QRIXDILYAT D 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 190 D HA 0.000 nan 4.640 nan 0.000 0.175 190 D C 0.000 176.300 176.300 -0.000 0.000 2.045 190 D CA 0.000 54.000 54.000 -0.000 0.000 0.868 190 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 191 D N 0.534 120.934 120.400 -0.000 0.000 2.216 191 D HA 0.058 4.698 4.640 0.001 0.000 0.208 191 D C 1.685 177.985 176.300 -0.000 0.000 0.960 191 D CA 1.178 55.178 54.000 -0.000 0.000 0.861 191 D CB 0.319 41.119 40.800 -0.000 0.000 0.985 191 D HN 0.293 nan 8.370 nan 0.000 0.493 192 E N 0.131 120.331 120.200 -0.000 0.000 2.107 192 E HA -0.040 4.310 4.350 0.001 0.000 0.191 192 E C 2.100 178.700 176.600 -0.000 0.000 0.982 192 E CA 0.763 57.163 56.400 -0.000 0.000 0.809 192 E CB -0.076 29.624 29.700 -0.000 0.000 0.756 192 E HN 0.313 nan 8.360 nan 0.000 0.459 193 A N 1.651 124.471 122.820 -0.000 0.000 1.933 193 A HA -0.106 4.214 4.320 0.001 0.000 0.218 193 A C 2.375 179.959 177.584 -0.001 0.000 1.175 193 A CA 1.644 53.681 52.037 -0.001 0.000 0.628 193 A CB -0.492 18.508 19.000 -0.001 0.000 0.814 193 A HN 0.281 nan 8.150 nan 0.000 0.444 194 A N -0.180 122.639 122.820 -0.001 0.000 1.897 194 A HA -0.118 4.202 4.320 0.001 0.000 0.215 194 A C 1.906 179.490 177.584 -0.001 0.000 1.181 194 A CA 1.470 53.507 52.037 -0.001 0.000 0.620 194 A CB -0.457 18.543 19.000 -0.001 0.000 0.821 194 A HN 0.613 nan 8.150 nan 0.000 0.443 195 E N -0.293 119.907 120.200 -0.000 0.000 2.150 195 E HA -0.002 4.349 4.350 0.001 0.000 0.193 195 E C 0.446 177.045 176.600 -0.000 0.000 0.985 195 E CA 0.042 56.442 56.400 -0.000 0.000 0.814 195 E CB -0.192 29.508 29.700 0.000 0.000 0.752 195 E HN 0.551 nan 8.360 nan 0.000 0.466 199 Q N 0.100 119.900 119.800 -0.000 0.000 2.084 199 Q HA -0.064 4.277 4.340 0.001 0.000 0.202 199 Q C 1.778 177.777 176.000 -0.000 0.000 0.978 199 Q CA 1.932 57.735 55.803 -0.000 0.000 0.844 199 Q CB 0.158 28.896 28.738 0.000 0.000 0.898 199 Q HN 0.275 nan 8.270 nan 0.000 0.426 200 V N 1.756 121.670 119.914 -0.001 0.000 2.343 200 V HA -0.270 3.850 4.120 0.001 0.000 0.247 200 V C 1.730 177.823 176.094 -0.002 0.000 1.051 200 V CA 1.770 64.069 62.300 -0.001 0.000 1.036 200 V CB -0.577 31.245 31.823 -0.002 0.000 0.654 200 V HN 0.385 nan 8.190 nan 0.000 0.451 201 N N 0.211 118.910 118.700 -0.002 0.000 2.120 201 N HA -0.124 4.616 4.740 0.001 0.000 0.188 201 N C 1.770 177.278 175.510 -0.003 0.000 1.024 201 N CA 1.378 54.427 53.050 -0.003 0.000 0.852 201 N CB -0.629 37.857 38.487 -0.003 0.000 1.003 201 N HN 0.350 nan 8.380 nan 0.000 0.424 202 V N 1.077 120.990 119.914 -0.002 0.000 2.343 202 V HA -0.164 3.957 4.120 0.001 0.000 0.247 202 V C 2.177 178.271 176.094 -0.001 0.000 1.051 202 V CA 1.114 63.413 62.300 -0.001 0.000 1.036 202 V CB -0.429 31.393 31.823 -0.000 0.000 0.654 202 V HN 0.144 nan 8.190 nan 0.000 0.451 203 L N -0.232 120.991 121.223 -0.001 0.000 2.083 203 L HA -0.132 4.208 4.340 0.001 0.000 0.209 203 L C 2.317 179.186 176.870 -0.001 0.000 1.083 203 L CA 1.757 56.597 54.840 -0.000 0.000 0.752 203 L CB -0.946 41.113 42.059 0.000 0.000 0.899 203 L HN 0.291 nan 8.230 nan 0.000 0.433 204 K N -0.705 119.694 120.400 -0.003 0.000 2.097 204 K HA -0.086 4.235 4.320 0.001 0.000 0.205 204 K C 2.066 178.663 176.600 -0.005 0.000 1.050 204 K CA 0.960 57.244 56.287 -0.004 0.000 0.938 204 K CB -0.220 32.277 32.500 -0.004 0.000 0.718 204 K HN 0.249 nan 8.250 nan 0.000 0.442 205 L N 0.537 121.756 121.223 -0.005 0.000 2.093 205 L HA -0.145 4.196 4.340 0.001 0.000 0.208 205 L C 2.253 179.119 176.870 -0.006 0.000 1.085 205 L CA 1.132 55.968 54.840 -0.007 0.000 0.755 205 L CB -0.618 41.437 42.059 -0.007 0.000 0.904 205 L HN 0.196 nan 8.230 nan 0.000 0.435 206 T N -0.661 113.891 114.554 -0.003 0.000 2.821 206 T HA -0.117 4.234 4.350 0.001 0.000 0.267 206 T C 2.032 176.732 174.700 -0.000 0.000 1.046 206 T CA 1.007 63.107 62.100 -0.000 0.000 1.139 206 T CB -0.088 68.782 68.868 0.003 0.000 0.871 206 T HN 0.039 nan 8.240 nan 0.000 0.454 207 V N 1.526 121.439 119.914 -0.002 0.000 2.295 207 V HA -0.183 3.937 4.120 0.001 0.000 0.246 207 V C 2.554 178.644 176.094 -0.007 0.000 1.049 207 V CA 1.973 64.272 62.300 -0.002 0.000 1.024 207 V CB -0.550 31.271 31.823 -0.004 0.000 0.648 207 V HN 0.568 nan 8.190 nan 0.000 0.447 208 E N 0.383 120.577 120.200 -0.010 0.000 2.051 208 E HA -0.326 4.024 4.350 0.001 0.000 0.192 208 E C 1.954 178.543 176.600 -0.020 0.000 0.991 208 E CA 1.944 58.335 56.400 -0.015 0.000 0.799 208 E CB -0.229 29.462 29.700 -0.016 0.000 0.748 208 E HN 0.756 nan 8.360 nan 0.000 0.449 209 D N -0.066 120.323 120.400 -0.019 0.000 2.092 209 D HA -0.191 4.449 4.640 0.001 0.000 0.193 209 D C 2.180 178.467 176.300 -0.022 0.000 0.994 209 D CA 1.626 55.611 54.000 -0.024 0.000 0.828 209 D CB -0.152 40.639 40.800 -0.015 0.000 0.963 209 D HN 0.262 nan 8.370 nan 0.000 0.450 210 L N 0.163 121.383 121.223 -0.005 0.000 2.056 210 L HA -0.092 4.248 4.340 0.001 0.000 0.207 210 L C 2.639 179.510 176.870 0.002 0.000 1.078 210 L CA 1.079 55.925 54.840 0.009 0.000 0.749 210 L CB -0.504 41.567 42.059 0.020 0.000 0.901 210 L HN 0.171 nan 8.230 nan 0.000 0.433 211 E N 0.365 120.562 120.200 -0.006 0.000 2.077 211 E HA -0.225 4.125 4.350 0.001 0.000 0.193 211 E C 2.193 178.784 176.600 -0.015 0.000 0.989 211 E CA 1.164 57.559 56.400 -0.008 0.000 0.800 211 E CB 0.003 29.696 29.700 -0.012 0.000 0.746 211 E HN 0.463 nan 8.360 nan 0.000 0.452 212 K N 0.716 121.099 120.400 -0.028 0.000 2.097 212 K HA -0.145 4.176 4.320 0.001 0.000 0.206 212 K C 2.087 178.645 176.600 -0.070 0.000 1.049 212 K CA 1.117 57.381 56.287 -0.039 0.000 0.933 212 K CB -0.021 32.443 32.500 -0.059 0.000 0.717 212 K HN 0.143 nan 8.250 nan 0.000 0.442 213 E N 0.348 120.477 120.200 -0.118 0.000 2.107 213 E HA -0.154 4.197 4.350 0.001 0.000 0.191 213 E C 2.148 178.560 176.600 -0.313 0.000 0.982 213 E CA 0.575 56.805 56.400 -0.284 0.000 0.809 213 E CB 0.016 29.593 29.700 -0.206 0.000 0.756 213 E HN 0.192 nan 8.360 nan 0.000 0.459 214 R N 1.137 121.602 120.500 -0.058 0.000 2.073 214 R HA -0.181 4.159 4.340 0.001 0.000 0.234 214 R C 1.494 177.856 176.300 0.103 0.000 1.134 214 R CA 1.895 58.039 56.100 0.073 0.000 0.952 214 R CB -0.076 30.266 30.300 0.069 0.000 0.850 214 R HN 0.100 nan 8.270 nan 0.000 0.433 215 D N -0.072 120.369 120.400 0.067 0.000 2.144 215 D HA -0.182 4.458 4.640 0.001 0.000 0.199 215 D C 1.599 178.006 176.300 0.178 0.000 0.984 215 D CA 0.981 55.055 54.000 0.122 0.000 0.834 215 D CB -0.364 40.479 40.800 0.073 0.000 0.955 215 D HN 0.214 nan 8.370 nan 0.000 0.465 216 F N 0.752 120.657 119.950 -0.076 0.000 2.102 216 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 216 F C 2.138 177.946 175.800 0.013 0.000 1.105 216 F CA 1.389 59.331 58.000 -0.096 0.000 1.239 216 F CB -0.676 38.171 39.000 -0.255 0.000 0.991 216 F HN 0.001 nan 8.300 nan 0.000 0.474 217 Y N -1.783 118.529 120.300 0.020 0.000 2.242 217 Y HA -0.244 4.306 4.550 -0.000 0.000 0.291 217 Y C 2.407 178.268 175.900 -0.065 0.000 1.137 217 Y CA 0.848 58.888 58.100 -0.100 0.000 1.181 217 Y CB -0.652 37.837 38.460 0.048 0.000 0.989 217 Y HN 0.180 nan 8.280 nan 0.000 0.527 218 F N 0.763 120.760 119.950 0.078 0.000 2.134 218 F HA -0.099 4.429 4.527 0.002 0.000 0.299 218 F C 2.290 178.084 175.800 -0.010 0.000 1.097 218 F CA 1.555 59.578 58.000 0.038 0.000 1.264 218 F CB -0.701 38.325 39.000 0.043 0.000 1.001 218 F HN -0.062 nan 8.300 nan 0.000 0.479 219 G N -0.109 108.704 108.800 0.021 0.000 2.422 219 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 219 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 219 G C 1.679 176.461 174.900 -0.197 0.000 1.146 219 G CA 0.736 45.792 45.100 -0.073 0.000 0.769 219 G HN 0.176 nan 8.290 nan 0.000 0.547 220 K N 0.289 120.541 120.400 -0.246 0.000 2.057 220 K HA 0.142 4.462 4.320 0.001 0.000 0.206 220 K C 2.492 178.962 176.600 -0.217 0.000 1.050 220 K CA 0.551 56.690 56.287 -0.245 0.000 0.935 220 K CB -0.695 31.631 32.500 -0.290 0.000 0.715 220 K HN 0.338 nan 8.250 nan 0.000 0.439 221 L N 0.452 121.525 121.223 -0.251 0.000 2.083 221 L HA -0.179 4.161 4.340 0.001 0.000 0.209 221 L C 2.321 179.007 176.870 -0.306 0.000 1.083 221 L CA 1.073 55.753 54.840 -0.266 0.000 0.752 221 L CB -0.281 41.610 42.059 -0.280 0.000 0.899 221 L HN 0.111 nan 8.230 nan 0.000 0.433 222 R N 0.272 120.527 120.500 -0.407 0.000 2.081 222 R HA -0.115 4.226 4.340 0.001 0.000 0.235 222 R C 1.873 178.070 176.300 -0.172 0.000 1.131 222 R CA 1.391 57.307 56.100 -0.308 0.000 0.960 222 R CB -1.123 28.994 30.300 -0.305 0.000 0.856 222 R HN 0.568 nan 8.270 nan 0.000 0.436 223 N N 0.428 119.035 118.700 -0.154 0.000 2.120 223 N HA -0.097 4.644 4.740 0.001 0.000 0.188 223 N C 1.957 177.406 175.510 -0.101 0.000 1.024 223 N CA 1.003 53.991 53.050 -0.104 0.000 0.852 223 N CB -0.138 38.292 38.487 -0.095 0.000 1.003 223 N HN 0.139 nan 8.380 nan 0.000 0.424 224 I N 1.171 121.666 120.570 -0.125 0.000 2.252 224 I HA -0.232 3.939 4.170 0.001 0.000 0.245 224 I C 2.584 178.627 176.117 -0.122 0.000 1.102 224 I CA 1.038 62.267 61.300 -0.117 0.000 1.385 224 I CB -0.283 37.639 38.000 -0.130 0.000 1.064 224 I HN 0.257 nan 8.210 nan 0.000 0.414 225 E N 1.203 121.317 120.200 -0.144 0.000 2.085 225 E HA -0.283 4.067 4.350 0.001 0.000 0.194 225 E C 2.256 178.808 176.600 -0.081 0.000 0.994 225 E CA 1.399 57.715 56.400 -0.139 0.000 0.801 225 E CB -0.018 29.609 29.700 -0.121 0.000 0.743 225 E HN 0.307 nan 8.360 nan 0.000 0.453 226 L N 1.213 122.398 121.223 -0.064 0.000 2.017 226 L HA -0.160 4.180 4.340 0.001 0.000 0.208 226 L C 2.232 179.079 176.870 -0.038 0.000 1.073 226 L CA 1.576 56.394 54.840 -0.037 0.000 0.745 226 L CB -0.473 41.567 42.059 -0.033 0.000 0.894 226 L HN 0.222 nan 8.230 nan 0.000 0.432 227 I N -1.358 119.183 120.570 -0.049 0.000 2.194 227 I HA -0.418 3.753 4.170 0.001 0.000 0.246 227 I C 2.518 178.608 176.117 -0.046 0.000 1.093 227 I CA 1.492 62.765 61.300 -0.044 0.000 1.355 227 I CB -0.552 37.418 38.000 -0.050 0.000 1.046 227 I HN 0.396 nan 8.210 nan 0.000 0.413 228 C N 0.215 119.478 119.300 -0.062 0.000 2.446 228 C HA -0.149 4.312 4.460 0.001 0.000 0.277 228 C C 2.846 177.811 174.990 -0.042 0.000 1.275 228 C CA 0.736 59.716 59.018 -0.064 0.000 1.727 228 C CB -1.051 26.628 27.740 -0.102 0.000 2.010 228 C HN 0.524 nan 8.230 nan 0.000 0.486 229 Q N 0.579 120.360 119.800 -0.032 0.000 2.084 229 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 229 Q C 1.928 177.924 176.000 -0.006 0.000 0.978 229 Q CA 1.388 57.187 55.803 -0.007 0.000 0.844 229 Q CB -0.251 28.492 28.738 0.009 0.000 0.898 229 Q HN 0.714 nan 8.270 nan 0.000 0.426 230 E N 0.411 120.604 120.200 -0.012 0.000 2.338 230 E HA -0.078 4.273 4.350 0.001 0.000 0.197 230 E C 0.762 177.356 176.600 -0.010 0.000 1.007 230 E CA 0.454 56.848 56.400 -0.009 0.000 0.849 230 E CB 0.099 29.793 29.700 -0.011 0.000 0.774 230 E HN 0.329 nan 8.360 nan 0.000 0.506 231 N N 0.537 119.228 118.700 -0.015 0.000 2.235 231 N HA 0.038 4.779 4.740 0.001 0.000 0.231 231 N C 0.488 175.989 175.510 -0.013 0.000 1.177 231 N CA 0.055 53.096 53.050 -0.015 0.000 0.874 231 N CB 0.694 39.169 38.487 -0.020 0.000 1.097 231 N HN 0.181 nan 8.380 nan 0.000 0.518 232 E N 0.451 120.645 120.200 -0.010 0.000 2.333 232 E HA -0.066 4.284 4.350 0.001 0.000 0.198 232 E C 1.604 178.202 176.600 -0.004 0.000 1.007 232 E CA 0.438 56.834 56.400 -0.007 0.000 0.845 232 E CB 0.065 29.765 29.700 0.001 0.000 0.766 232 E HN 0.322 nan 8.360 nan 0.000 0.507 233 G N 1.671 110.469 108.800 -0.004 0.000 2.848 233 G HA2 -0.207 3.753 3.960 0.001 0.000 0.208 233 G HA3 -0.207 3.753 3.960 0.001 0.000 0.208 233 G C 1.187 176.085 174.900 -0.004 0.000 1.152 233 G CA 0.233 45.331 45.100 -0.002 0.000 0.789 233 G HN 0.366 nan 8.290 nan 0.000 0.531 234 E N -0.338 119.858 120.200 -0.007 0.000 2.474 234 E HA 0.037 4.387 4.350 0.001 0.000 0.194 234 E C 0.472 177.067 176.600 -0.007 0.000 1.041 234 E CA -0.085 56.311 56.400 -0.007 0.000 0.874 234 E CB -0.597 29.098 29.700 -0.009 0.000 0.914 234 E HN 0.391 nan 8.360 nan 0.000 0.498 235 N N 2.039 120.734 118.700 -0.007 0.000 2.727 235 N HA -0.150 4.590 4.740 0.001 0.000 0.249 235 N C -1.079 174.425 175.510 -0.009 0.000 1.048 235 N CA 0.608 53.654 53.050 -0.007 0.000 0.714 235 N CB -0.755 37.729 38.487 -0.005 0.000 0.959 235 N HN 0.333 nan 8.380 nan 0.000 0.544 236 D N 0.724 121.117 120.400 -0.013 0.000 2.316 236 D HA 0.112 4.752 4.640 0.001 0.000 0.245 236 D C -0.942 175.348 176.300 -0.017 0.000 1.171 236 D CA -2.214 51.777 54.000 -0.015 0.000 0.856 236 D CB 1.089 41.878 40.800 -0.018 0.000 1.090 236 D HN 0.141 nan 8.370 nan 0.000 0.476 237 P HA -0.152 nan 4.420 nan 0.000 0.222 237 P C 1.501 178.789 177.300 -0.021 0.000 1.147 237 P CA 0.739 63.830 63.100 -0.015 0.000 0.790 237 P CB 0.103 31.796 31.700 -0.012 0.000 0.780 238 V N -2.515 117.386 119.914 -0.022 0.000 2.427 238 V HA -0.171 3.950 4.120 0.001 0.000 0.248 238 V C 2.505 178.577 176.094 -0.036 0.000 1.051 238 V CA 1.308 63.591 62.300 -0.027 0.000 1.048 238 V CB -1.850 29.958 31.823 -0.026 0.000 0.666 238 V HN -0.053 nan 8.190 nan 0.000 0.456 239 L N -0.169 121.031 121.223 -0.037 0.000 2.201 239 L HA -0.115 4.226 4.340 0.001 0.000 0.212 239 L C 2.791 179.629 176.870 -0.053 0.000 1.105 239 L CA 1.745 56.556 54.840 -0.048 0.000 0.775 239 L CB -0.595 41.438 42.059 -0.043 0.000 0.913 239 L HN 0.426 nan 8.230 nan 0.000 0.440 240 Q N 0.766 120.543 119.800 -0.038 0.000 2.079 240 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 240 Q C 2.227 178.203 176.000 -0.040 0.000 0.974 240 Q CA 1.626 57.409 55.803 -0.033 0.000 0.840 240 Q CB -0.007 28.720 28.738 -0.019 0.000 0.898 240 Q HN 0.282 nan 8.270 nan 0.000 0.430 241 R N -0.372 120.105 120.500 -0.038 0.000 2.081 241 R HA 0.014 4.354 4.340 0.001 0.000 0.235 241 R C 0.851 177.118 176.300 -0.056 0.000 1.131 241 R CA 0.809 56.886 56.100 -0.038 0.000 0.960 241 R CB -0.401 29.880 30.300 -0.032 0.000 0.856 241 R HN 0.273 nan 8.270 nan 0.000 0.436 245 I N 1.744 122.277 120.570 -0.061 0.000 2.163 245 I HA -0.082 4.088 4.170 0.001 0.000 0.240 245 I C 2.642 178.727 176.117 -0.053 0.000 1.081 245 I CA 0.980 62.251 61.300 -0.049 0.000 1.353 245 I CB -0.811 37.151 38.000 -0.063 0.000 1.054 245 I HN 0.039 nan 8.210 nan 0.000 0.407 246 L N -0.446 120.692 121.223 -0.141 0.000 2.043 246 L HA -0.249 4.092 4.340 0.001 0.000 0.212 246 L C 1.662 178.541 176.870 0.014 0.000 1.075 246 L CA 1.720 56.452 54.840 -0.179 0.000 0.752 246 L CB -0.605 41.187 42.059 -0.445 0.000 0.891 246 L HN 0.273 nan 8.230 nan 0.000 0.432 247 Y N -0.564 119.732 120.300 -0.007 0.000 2.683 247 Y HA 0.429 4.979 4.550 0.000 0.000 0.297 247 Y C 0.732 176.636 175.900 0.007 0.000 1.147 247 Y CA -1.068 57.035 58.100 0.004 0.000 1.274 247 Y CB 0.135 38.596 38.460 0.001 0.000 1.143 247 Y HN 0.055 nan 8.280 nan 0.000 0.527 248 A N 0.926 123.833 122.820 0.145 0.000 2.312 248 A HA 0.546 4.867 4.320 0.001 0.000 0.326 248 A C 0.225 177.853 177.584 0.074 0.000 1.172 248 A CA -0.545 51.544 52.037 0.087 0.000 0.821 248 A CB 0.435 19.465 19.000 0.050 0.000 1.166 248 A HN 0.245 nan 8.150 nan 0.000 0.493 249 T N 0.060 114.647 114.554 0.056 0.000 2.875 249 T HA 0.656 5.007 4.350 0.001 0.000 0.284 249 T C -0.645 174.076 174.700 0.035 0.000 0.995 249 T CA -0.659 61.469 62.100 0.046 0.000 1.060 249 T CB 1.234 70.124 68.868 0.036 0.000 0.967 249 T HN 0.550 nan 8.240 nan 0.000 0.476 250 D N 0.000 120.420 120.400 0.033 0.000 6.856 250 D HA 0.000 4.640 4.640 0.001 0.000 0.175 250 D CA 0.000 54.015 54.000 0.025 0.000 0.868 250 D CB 0.000 40.814 40.800 0.023 0.000 0.688 250 D HN 0.000 nan 8.370 nan 0.000 0.683