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 1whe_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANSFLXXVKQ GNLXRXcLXX AcSLXXARXV FXDAXQTDXF WSKYKDGDQc DATA SEQUENCE EGHPcLNQGH cKXGIGDYTc TcAEGFEGKN cEFSTR 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 1 A HA 0.000 4.327 4.320 0.012 0.000 0.244 1 A C 0.000 177.594 177.584 0.016 0.000 1.274 1 A CA 0.000 52.043 52.037 0.010 0.000 0.836 1 A CB 0.000 19.003 19.000 0.004 0.000 0.831 2 N N -0.305 118.410 118.700 0.026 0.000 5.495 2 N HA -0.271 4.500 4.740 0.051 0.000 0.335 2 N C -0.692 174.847 175.510 0.049 0.000 0.914 2 N CA 0.958 54.033 53.050 0.043 0.000 1.149 2 N CB -0.058 38.454 38.487 0.041 0.000 0.791 2 N HN 0.241 8.635 8.380 0.024 0.000 0.517 3 S N -2.440 113.307 115.700 0.079 0.000 2.786 3 S HA -0.104 4.399 4.470 0.054 0.000 0.269 3 S C -0.133 174.548 174.600 0.134 0.000 1.040 3 S CA 0.416 58.667 58.200 0.086 0.000 1.099 3 S CB 0.673 63.927 63.200 0.090 0.000 0.936 3 S HN 0.103 8.477 8.310 0.107 0.000 0.450 4 F N 4.649 124.607 119.950 0.014 0.000 2.044 4 F HA -0.160 4.377 4.527 0.017 0.000 0.286 4 F C -0.712 175.096 175.800 0.013 0.000 1.173 4 F CA 0.450 58.460 58.000 0.016 0.000 1.141 4 F CB 0.070 39.083 39.000 0.022 0.000 1.012 4 F HN -0.418 8.047 8.300 0.274 0.000 0.482 9 K N 0.033 120.375 120.400 -0.097 0.000 2.242 9 K HA -0.154 4.129 4.320 -0.061 0.000 0.206 9 K C 0.120 176.670 176.600 -0.084 0.000 1.045 9 K CA 1.825 58.069 56.287 -0.071 0.000 0.930 9 K CB 0.197 32.668 32.500 -0.049 0.000 0.726 9 K HN 0.239 8.441 8.250 -0.081 0.000 0.462 10 Q N -5.972 113.760 119.800 -0.114 0.000 3.107 10 Q HA -0.012 4.260 4.340 -0.114 0.000 0.319 10 Q C -0.602 175.319 176.000 -0.131 0.000 0.868 10 Q CA -0.364 55.373 55.803 -0.109 0.000 0.825 10 Q CB 0.906 29.602 28.738 -0.069 0.000 1.553 10 Q HN -0.696 7.457 8.270 -0.139 0.033 0.489 11 G N -0.229 108.515 108.800 -0.095 0.000 2.679 11 G HA2 -0.120 3.782 3.960 -0.096 0.000 0.158 11 G HA3 -0.120 3.830 3.960 -0.017 0.000 0.158 11 G C -1.446 173.456 174.900 0.003 0.000 1.702 11 G CA 0.462 45.531 45.100 -0.050 0.000 1.041 11 G HN 0.483 8.727 8.290 -0.076 0.000 0.507 12 N N -3.120 115.601 118.700 0.035 0.000 3.717 12 N HA 0.020 4.762 4.740 0.003 0.000 0.329 12 N C -1.948 173.565 175.510 0.005 0.000 1.191 12 N CA -0.226 52.843 53.050 0.032 0.000 0.622 12 N CB 0.495 39.037 38.487 0.092 0.000 3.606 12 N HN -0.044 8.360 8.380 0.040 0.000 0.456 22 c N -1.275 117.096 118.600 -0.381 0.000 3.241 22 c HA 0.470 5.017 4.570 -0.039 0.000 0.312 22 c C -1.502 172.609 174.090 0.036 0.000 1.350 22 c CA -0.950 55.321 56.329 -0.098 0.000 1.415 22 c CB 2.055 44.578 42.510 0.022 0.000 1.770 22 c HN -0.040 7.991 8.230 -0.332 0.000 0.466 23 S N -0.880 114.887 115.700 0.111 0.000 2.930 23 S HA 0.194 4.886 4.470 0.251 -0.071 0.253 23 S C -1.687 173.108 174.600 0.325 0.000 1.083 23 S CA 0.840 59.168 58.200 0.214 0.000 0.836 23 S CB 1.195 64.483 63.200 0.146 0.000 0.814 23 S HN 0.317 8.687 8.310 0.100 0.000 0.467 37 T N 0.162 114.907 114.554 0.318 0.000 2.814 37 T HA -0.093 4.302 4.350 0.075 0.000 0.254 37 T C 0.362 175.258 174.700 0.327 0.000 1.037 37 T CA 1.937 64.169 62.100 0.220 0.000 1.143 37 T CB 0.653 69.555 68.868 0.056 0.000 0.866 37 T HN -0.405 7.847 8.240 0.225 0.123 0.431 41 W N 0.373 121.175 121.300 -0.830 0.000 2.423 41 W HA -0.110 4.002 4.660 -0.913 0.000 0.300 41 W C 0.410 176.789 176.519 -0.235 0.000 1.005 41 W CA 0.592 57.477 57.345 -0.767 0.000 1.314 41 W CB 1.312 30.394 29.460 -0.631 0.000 1.253 41 W HN -0.636 7.697 8.180 0.254 0.000 0.470 42 S N -2.726 113.042 115.700 0.114 0.000 3.348 42 S HA -0.335 4.158 4.470 0.038 0.000 0.366 42 S C -0.655 173.909 174.600 -0.060 0.000 0.953 42 S CA 1.706 59.926 58.200 0.032 0.000 1.255 42 S CB -0.863 62.372 63.200 0.058 0.000 0.906 42 S HN 0.264 8.711 8.310 0.229 0.000 0.495 43 K N -2.854 117.451 120.400 -0.159 0.000 3.244 43 K HA -0.244 3.917 4.320 -0.265 0.000 0.269 43 K C -1.358 175.083 176.600 -0.266 0.000 1.150 43 K CA 0.155 56.311 56.287 -0.219 0.000 0.799 43 K CB -0.626 31.793 32.500 -0.136 0.000 1.286 43 K HN -0.149 7.994 8.250 -0.186 -0.004 0.488 44 Y N 0.691 120.609 120.300 -0.636 0.000 2.686 44 Y HA -0.264 4.189 4.550 -0.443 -0.168 0.391 44 Y C -0.760 174.895 175.900 -0.409 0.000 1.401 44 Y CA 0.678 58.388 58.100 -0.650 0.000 1.937 44 Y CB -1.315 36.337 38.460 -1.346 0.000 1.459 44 Y HN 0.090 7.985 8.280 -0.643 0.000 0.418 45 K N 5.911 126.089 120.400 -0.369 0.000 2.485 45 K HA 0.049 4.012 4.320 -0.596 0.000 0.200 45 K C -0.436 175.997 176.600 -0.278 0.000 1.344 45 K CA -0.137 55.904 56.287 -0.410 0.000 0.948 45 K CB 1.540 33.882 32.500 -0.263 0.000 1.454 45 K HN 0.204 8.350 8.250 -0.168 0.004 0.502 46 D N 0.843 121.158 120.400 -0.142 0.000 3.377 46 D HA -0.311 4.280 4.640 -0.081 0.000 0.221 46 D C 0.323 176.545 176.300 -0.131 0.000 1.721 46 D CA 1.545 55.487 54.000 -0.097 0.000 1.022 46 D CB -1.281 39.502 40.800 -0.028 0.000 0.719 46 D HN -0.219 8.083 8.370 -0.113 0.000 0.823 47 G N -3.749 104.964 108.800 -0.145 0.000 3.605 47 G HA2 -0.135 3.763 3.960 -0.104 0.000 0.277 47 G HA3 -0.135 3.735 3.960 -0.150 0.000 0.277 47 G C -1.300 173.538 174.900 -0.104 0.000 1.093 47 G CA -0.700 44.321 45.100 -0.131 0.000 0.821 47 G HN -0.062 8.127 8.290 -0.168 0.000 0.532 48 D N -2.009 118.331 120.400 -0.100 0.000 3.039 48 D HA -0.466 4.162 4.640 -0.020 0.000 0.222 48 D C -1.028 175.271 176.300 -0.002 0.000 1.179 48 D CA 1.326 55.300 54.000 -0.044 0.000 0.880 48 D CB -0.436 40.334 40.800 -0.051 0.000 1.115 48 D HN -0.518 8.029 8.370 -0.119 -0.249 0.416 49 Q N -2.986 116.772 119.800 -0.069 0.000 2.845 49 Q HA -0.369 3.742 4.340 -0.382 0.000 0.098 49 Q C -0.173 175.983 176.000 0.259 0.000 1.497 49 Q CA 1.586 57.403 55.803 0.024 0.000 0.473 49 Q CB -0.802 27.963 28.738 0.046 0.000 0.654 49 Q HN -0.194 8.030 8.270 -0.161 -0.051 0.321 50 c N -0.587 118.227 118.600 0.357 0.000 5.268 50 c HA -0.265 4.120 4.570 -0.308 0.000 0.223 50 c C 0.888 174.785 174.090 -0.322 0.000 1.107 50 c CA 0.422 56.629 56.329 -0.205 0.000 1.416 50 c CB -1.957 40.352 42.510 -0.335 0.000 1.889 50 c HN 0.476 9.135 8.230 0.715 0.000 0.647 51 E N 2.156 122.342 120.200 -0.022 0.000 2.015 51 E HA -0.236 4.134 4.350 0.034 0.000 0.191 51 E C 1.126 177.803 176.600 0.129 0.000 0.991 51 E CA 2.034 58.456 56.400 0.035 0.000 0.802 51 E CB 0.011 29.728 29.700 0.029 0.000 0.759 51 E HN -0.193 8.173 8.360 0.076 0.040 0.447 52 G N -2.168 106.703 108.800 0.120 0.000 2.985 52 G HA2 -0.086 3.961 3.960 0.144 0.000 0.209 52 G HA3 -0.086 3.936 3.960 0.102 0.000 0.209 52 G C -0.943 174.073 174.900 0.194 0.000 1.165 52 G CA -0.641 44.544 45.100 0.141 0.000 0.776 52 G HN 0.163 8.520 8.290 0.112 0.000 0.541 53 H N -2.211 116.867 119.070 0.012 0.000 3.207 53 H HA -0.280 4.226 4.556 -0.083 0.000 0.291 53 H C -1.888 173.363 175.328 -0.130 0.000 0.818 53 H CA -0.139 55.867 56.048 -0.070 0.000 0.900 53 H CB -1.312 28.402 29.762 -0.080 0.000 1.515 53 H HN -0.076 8.065 8.280 -0.004 0.138 0.315 54 P HA -0.052 4.291 4.420 -0.129 0.000 0.233 54 P C -1.569 175.624 177.300 -0.179 0.000 1.167 54 P CA 0.838 63.788 63.100 -0.250 0.000 0.770 54 P CB 0.888 32.223 31.700 -0.608 0.000 0.837 55 c N -3.182 115.334 118.600 -0.140 0.000 2.307 55 c HA 0.069 4.561 4.570 -0.130 0.000 0.340 55 c C -0.186 173.841 174.090 -0.105 0.000 1.275 55 c CA -0.423 55.836 56.329 -0.117 0.000 1.811 55 c CB -0.328 42.123 42.510 -0.099 0.000 2.372 55 c HN -0.289 7.807 8.230 -0.120 0.062 0.531 56 L N 2.852 124.001 121.223 -0.123 0.000 2.397 56 L HA 0.265 4.539 4.340 -0.109 0.000 0.266 56 L C 0.555 177.310 176.870 -0.192 0.000 1.040 56 L CA -1.017 53.748 54.840 -0.124 0.000 0.800 56 L CB 1.469 43.470 42.059 -0.096 0.000 1.324 56 L HN -0.371 7.784 8.230 -0.126 0.000 0.469 57 N N -1.308 117.281 118.700 -0.185 0.000 2.725 57 N HA -0.424 4.192 4.740 -0.207 0.000 0.251 57 N C -0.801 174.412 175.510 -0.495 0.000 1.031 57 N CA 0.862 53.703 53.050 -0.349 0.000 0.720 57 N CB -1.161 37.006 38.487 -0.534 0.000 0.930 57 N HN 0.415 8.728 8.380 -0.111 0.000 0.543 58 Q N -6.739 112.874 119.800 -0.313 0.000 2.460 58 Q HA -0.276 3.910 4.340 -0.257 0.000 0.248 58 Q C -0.804 175.018 176.000 -0.296 0.000 0.847 58 Q CA 0.581 56.207 55.803 -0.294 0.000 1.214 58 Q CB -1.237 27.330 28.738 -0.286 0.000 1.523 58 Q HN 0.134 8.261 8.270 -0.238 0.000 0.602 59 G N -2.829 105.807 108.800 -0.273 0.000 2.335 59 G HA2 -0.148 3.746 3.960 -0.157 0.000 0.285 59 G HA3 -0.148 3.729 3.960 -0.144 -0.004 0.285 59 G C -1.159 173.660 174.900 -0.135 0.000 1.448 59 G CA -0.053 44.944 45.100 -0.171 0.000 1.070 59 G HN -0.305 7.661 8.290 -0.274 0.160 0.564 60 H N -2.121 116.913 119.070 -0.061 0.000 3.037 60 H HA 0.324 4.885 4.556 0.009 0.000 0.355 60 H C -1.878 173.432 175.328 -0.031 0.000 1.263 60 H CA -0.131 55.904 56.048 -0.022 0.000 1.129 60 H CB 4.216 33.964 29.762 -0.023 0.000 1.861 60 H HN 0.132 8.428 8.280 0.027 0.000 0.546 61 c N -0.582 118.120 118.600 0.170 0.000 2.482 61 c HA 0.507 5.199 4.570 -0.008 -0.127 0.317 61 c C -0.987 173.153 174.090 0.083 0.000 1.197 61 c CA -2.886 53.467 56.329 0.039 0.000 1.432 61 c CB 1.050 43.508 42.510 -0.087 0.000 2.062 61 c HN 0.433 8.834 8.230 0.286 0.000 0.471 65 I N 1.888 122.544 120.570 0.145 0.000 3.192 65 I HA -0.517 3.965 4.170 0.235 -0.171 0.314 65 I C 0.670 176.889 176.117 0.170 0.000 1.243 65 I CA 1.935 63.357 61.300 0.202 0.000 1.404 65 I CB -1.377 36.768 38.000 0.241 0.000 1.374 65 I HN 0.418 8.714 8.210 0.144 0.000 0.522 66 G N 6.797 115.668 108.800 0.118 0.000 2.905 66 G HA2 -0.174 3.841 3.960 0.092 0.000 0.199 66 G HA3 -0.174 3.850 3.960 0.107 0.000 0.199 66 G C -1.856 173.036 174.900 -0.014 0.000 1.370 66 G CA -0.414 44.734 45.100 0.080 0.000 0.966 66 G HN 0.355 8.842 8.290 0.098 -0.138 0.522 67 D N -1.196 119.190 120.400 -0.024 0.000 2.622 67 D HA 0.332 4.810 4.640 -0.269 0.000 0.255 67 D C -2.813 173.507 176.300 0.033 0.000 1.246 67 D CA -0.702 53.248 54.000 -0.083 0.000 0.795 67 D CB 2.332 43.140 40.800 0.013 0.000 1.369 67 D HN -0.360 8.026 8.370 0.026 0.000 0.425 68 Y N -5.236 115.078 120.300 0.023 0.000 2.876 68 Y HA 0.530 5.091 4.550 0.018 0.000 0.317 68 Y C -1.669 174.236 175.900 0.008 0.000 1.369 68 Y CA -2.137 55.971 58.100 0.012 0.000 1.101 68 Y CB 1.529 39.986 38.460 -0.005 0.000 1.346 68 Y HN 0.061 8.487 8.280 0.243 0.000 0.505 69 T N -2.085 112.539 114.554 0.117 0.000 2.618 69 T HA 0.242 4.585 4.350 -0.012 0.000 0.293 69 T C -1.778 172.834 174.700 -0.146 0.000 1.093 69 T CA -1.009 61.078 62.100 -0.022 0.000 1.061 69 T CB 1.786 70.672 68.868 0.030 0.000 1.498 69 T HN -0.063 8.239 8.240 0.102 0.000 0.494 70 c N -1.571 116.974 118.600 -0.092 0.000 3.170 70 c HA 0.702 5.447 4.570 -0.085 -0.226 0.319 70 c C -0.823 173.247 174.090 -0.032 0.000 1.260 70 c CA -0.484 55.791 56.329 -0.090 0.000 1.374 70 c CB 4.193 46.619 42.510 -0.140 0.000 1.739 70 c HN 0.136 8.334 8.230 -0.053 0.000 0.479 71 T N 3.417 117.967 114.554 -0.005 0.000 2.928 71 T HA 0.377 4.731 4.350 0.006 0.000 0.296 71 T C -1.171 173.533 174.700 0.006 0.000 1.000 71 T CA 0.080 62.189 62.100 0.014 0.000 0.989 71 T CB 2.659 71.549 68.868 0.036 0.000 1.005 71 T HN 0.501 8.742 8.240 0.001 0.000 0.442 72 c N 3.066 121.668 118.600 0.004 0.000 2.451 72 c HA 0.405 4.916 4.570 -0.098 0.000 0.391 72 c C -0.360 173.747 174.090 0.028 0.000 1.286 72 c CA -3.038 53.278 56.329 -0.021 0.000 1.935 72 c CB 2.305 44.836 42.510 0.034 0.000 2.188 72 c HN 0.166 8.407 8.230 0.018 0.000 0.523 73 A N -0.019 122.818 122.820 0.029 0.000 2.250 73 A HA 0.015 4.394 4.320 0.098 0.000 0.283 73 A C 0.802 178.554 177.584 0.279 0.000 1.206 73 A CA -0.255 51.882 52.037 0.167 0.000 0.840 73 A CB 0.649 19.775 19.000 0.210 0.000 1.220 73 A HN 0.036 8.101 8.150 -0.142 0.000 0.505 74 E N -0.844 119.492 120.200 0.228 0.000 2.047 74 E HA -0.230 4.189 4.350 0.116 0.000 0.191 74 E C 1.608 178.286 176.600 0.129 0.000 0.987 74 E CA 2.168 58.656 56.400 0.146 0.000 0.799 74 E CB -0.351 29.406 29.700 0.094 0.000 0.752 74 E HN 0.369 8.852 8.360 0.205 0.000 0.449 75 G N -1.222 107.653 108.800 0.125 0.000 3.474 75 G HA2 0.052 3.933 3.960 -0.131 0.000 0.269 75 G HA3 0.052 3.833 3.960 -0.297 0.000 0.269 75 G C -1.842 172.721 174.900 -0.561 0.000 1.339 75 G CA -0.377 44.608 45.100 -0.191 0.000 1.258 75 G HN 0.103 8.535 8.290 0.238 0.000 0.560 76 F N -1.724 118.247 119.950 0.034 0.000 2.601 76 F HA 0.673 5.392 4.527 0.059 -0.157 0.309 76 F C -1.903 173.920 175.800 0.038 0.000 1.089 76 F CA -1.210 56.813 58.000 0.039 0.000 0.940 76 F CB 4.841 43.852 39.000 0.019 0.000 1.273 76 F HN -0.935 7.398 8.300 0.228 0.104 0.450 77 E N -2.035 118.294 120.200 0.214 0.000 2.449 77 E HA 0.283 4.700 4.350 0.111 0.000 0.278 77 E C -1.927 174.722 176.600 0.082 0.000 1.059 77 E CA -0.969 55.513 56.400 0.137 0.000 0.854 77 E CB 3.377 33.153 29.700 0.127 0.000 1.465 77 E HN 0.555 9.062 8.360 0.246 0.000 0.462 78 G N -1.324 107.504 108.800 0.047 0.000 2.555 78 G HA2 -0.277 3.718 3.960 0.058 0.000 0.686 78 G HA3 -0.277 3.488 3.960 -0.326 0.000 0.686 78 G C 0.357 175.182 174.900 -0.125 0.000 1.275 78 G CA -0.381 44.676 45.100 -0.072 0.000 0.871 78 G HN 0.197 8.527 8.290 0.067 0.000 0.603 79 K N 1.029 121.346 120.400 -0.138 0.000 1.977 79 K HA -0.338 3.949 4.320 -0.054 0.000 0.218 79 K C 0.174 176.695 176.600 -0.132 0.000 1.051 79 K CA 1.757 57.985 56.287 -0.099 0.000 0.953 79 K CB -0.126 32.328 32.500 -0.077 0.000 0.727 79 K HN 0.281 8.449 8.250 -0.136 0.000 0.445 80 N N -2.529 116.054 118.700 -0.196 0.000 2.362 80 N HA 0.026 4.683 4.740 -0.137 0.000 0.211 80 N C -0.711 174.685 175.510 -0.190 0.000 1.170 80 N CA 0.093 53.037 53.050 -0.176 0.000 0.828 80 N CB -0.495 37.890 38.487 -0.170 0.000 1.034 80 N HN -0.005 8.224 8.380 -0.251 0.000 0.475 81 c N -3.344 115.144 118.600 -0.187 0.000 4.184 81 c HA -0.266 4.375 4.570 -0.048 -0.099 0.295 81 c C 0.445 174.472 174.090 -0.106 0.000 1.477 81 c CA 0.150 56.424 56.329 -0.091 0.000 2.037 81 c CB -2.736 39.757 42.510 -0.028 0.000 1.282 81 c HN -0.418 7.453 8.230 -0.186 0.248 0.783 82 E N -0.353 119.628 120.200 -0.365 0.000 2.516 82 E HA -0.167 4.139 4.350 -0.073 0.000 0.199 82 E C -1.087 175.506 176.600 -0.011 0.000 1.069 82 E CA 1.054 57.294 56.400 -0.268 0.000 0.876 82 E CB 0.120 29.583 29.700 -0.395 0.000 0.843 82 E HN -0.053 7.945 8.360 -0.540 0.037 0.530 83 F N -0.881 119.142 119.950 0.122 0.000 2.402 83 F HA 0.248 4.810 4.527 0.058 0.000 0.355 83 F C -1.473 174.363 175.800 0.061 0.000 1.123 83 F CA -2.975 55.071 58.000 0.076 0.000 1.021 83 F CB 0.668 39.690 39.000 0.037 0.000 1.160 83 F HN -0.647 7.451 8.300 -0.154 0.110 0.451 84 S N 5.445 121.258 115.700 0.188 0.000 2.438 84 S HA 0.455 4.704 4.470 -0.589 -0.132 0.293 84 S C 0.665 175.135 174.600 -0.217 0.000 1.141 84 S CA -0.736 57.330 58.200 -0.224 0.000 1.080 84 S CB 1.207 64.311 63.200 -0.160 0.000 0.978 84 S HN 0.458 8.911 8.310 0.238 0.000 0.479 85 T N 5.196 119.565 114.554 -0.308 0.000 2.643 85 T HA -0.235 4.053 4.350 -0.104 0.000 0.264 85 T C -0.070 174.531 174.700 -0.165 0.000 1.045 85 T CA 2.206 64.201 62.100 -0.175 0.000 1.155 85 T CB 0.691 69.465 68.868 -0.157 0.000 0.863 85 T HN 0.442 8.394 8.240 -0.480 0.000 0.420 86 R N 0.000 120.370 120.500 -0.217 0.000 2.786 86 R HA 0.000 4.280 4.340 -0.100 0.000 0.208 86 R CA 0.000 56.017 56.100 -0.138 0.000 0.921 86 R CB 0.000 30.238 30.300 -0.104 0.000 0.687 86 R HN 0.000 8.077 8.270 -0.321 0.000 0.535