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 2vgh_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARQENPcGPc SERRKHLFVQ DPQTcKcScK NTDSRcKARQ LELNERTcRc DATA SEQUENCE DKPRR 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 4.321 4.320 0.001 0.000 0.244 1 A C 0.000 177.584 177.584 0.001 0.000 1.274 1 A CA 0.000 52.038 52.037 0.001 0.000 0.836 1 A CB 0.000 19.000 19.000 0.001 0.000 0.831 2 R N -0.930 119.570 120.500 0.001 0.000 0.970 2 R HA -0.277 4.063 4.340 0.001 0.000 0.431 2 R C -1.494 174.806 176.300 -0.000 0.000 1.364 2 R CA 0.097 56.197 56.100 0.000 0.000 1.167 2 R CB 0.233 30.533 30.300 0.000 0.000 3.395 2 R HN 0.002 8.273 8.270 0.001 0.000 0.514 3 Q N -0.922 118.878 119.800 -0.000 0.000 2.460 3 Q HA -0.292 4.047 4.340 -0.001 0.000 0.311 3 Q C -1.151 174.848 176.000 -0.001 0.000 1.396 3 Q CA 0.687 56.489 55.803 -0.001 0.000 0.838 3 Q CB -1.041 27.697 28.738 -0.001 0.000 1.140 3 Q HN 0.346 8.616 8.270 -0.000 0.000 0.415 4 E N -3.038 117.161 120.200 -0.001 0.000 9.237 4 E HA -0.311 4.038 4.350 -0.001 0.000 0.412 4 E C -1.517 175.082 176.600 -0.002 0.000 1.429 4 E CA 0.430 56.829 56.400 -0.002 0.000 2.483 4 E CB -0.466 29.232 29.700 -0.003 0.000 1.050 4 E HN 0.067 8.427 8.360 -0.001 0.000 0.408 5 N N 1.160 119.859 118.700 -0.002 0.000 2.751 5 N HA 0.165 4.904 4.740 -0.003 0.000 0.238 5 N C -2.683 172.824 175.510 -0.005 0.000 1.351 5 N CA -1.455 51.593 53.050 -0.003 0.000 0.751 5 N CB 0.571 39.057 38.487 -0.001 0.000 1.342 5 N HN 0.215 8.593 8.380 -0.003 0.000 0.540 6 P HA 0.029 4.443 4.420 -0.010 0.000 0.263 6 P C -1.239 176.055 177.300 -0.010 0.000 1.195 6 P CA 0.130 63.225 63.100 -0.008 0.000 0.762 6 P CB 0.389 32.084 31.700 -0.008 0.000 0.799 7 c N 0.657 119.249 118.600 -0.013 0.000 3.154 7 c HA 0.182 4.744 4.570 -0.013 0.000 0.312 7 c C -0.417 173.660 174.090 -0.022 0.000 1.349 7 c CA -0.485 55.835 56.329 -0.015 0.000 1.518 7 c CB 3.489 45.992 42.510 -0.013 0.000 1.934 7 c HN 0.136 8.357 8.230 -0.015 0.000 0.462 8 G N 1.512 110.297 108.800 -0.026 0.000 2.788 8 G HA2 0.371 4.309 3.960 -0.038 0.000 0.327 8 G HA3 0.371 4.312 3.960 -0.032 0.000 0.327 8 G C -2.706 172.165 174.900 -0.048 0.000 1.249 8 G CA -1.083 43.996 45.100 -0.035 0.000 1.063 8 G HN 0.242 8.519 8.290 -0.021 0.000 0.497 9 P HA -0.080 4.467 4.420 -0.082 -0.177 0.264 9 P C -0.569 176.655 177.300 -0.127 0.000 1.179 9 P CA -0.703 62.337 63.100 -0.100 0.000 0.763 9 P CB 0.590 32.215 31.700 -0.126 0.000 0.806 10 c N 2.820 121.329 118.600 -0.152 0.000 2.489 10 c HA -0.122 4.393 4.570 -0.092 0.000 0.279 10 c C 0.577 174.530 174.090 -0.229 0.000 1.266 10 c CA 0.532 56.774 56.329 -0.145 0.000 1.707 10 c CB -0.666 41.792 42.510 -0.086 0.000 2.059 10 c HN 0.246 8.391 8.230 -0.142 0.000 0.481 11 S N 0.440 115.864 115.700 -0.460 0.000 2.593 11 S HA 0.000 4.266 4.470 -0.340 0.000 0.269 11 S C 1.154 175.570 174.600 -0.307 0.000 1.334 11 S CA -0.513 57.377 58.200 -0.516 0.000 1.015 11 S CB 1.026 63.512 63.200 -1.189 0.000 0.912 11 S HN -0.607 7.331 8.310 -0.620 0.000 0.541 12 E N 3.019 123.098 120.200 -0.201 0.000 1.996 12 E HA -0.319 3.968 4.350 -0.106 0.000 0.197 12 E C 1.795 178.324 176.600 -0.118 0.000 1.002 12 E CA 3.232 59.560 56.400 -0.120 0.000 0.840 12 E CB 0.074 29.732 29.700 -0.069 0.000 0.786 12 E HN 0.641 8.891 8.360 -0.183 0.000 0.469 13 R N -3.515 116.924 120.500 -0.102 0.000 3.372 13 R HA 0.054 4.337 4.340 -0.096 0.000 0.150 13 R C 1.278 177.513 176.300 -0.108 0.000 0.739 13 R CA 0.927 56.975 56.100 -0.086 0.000 1.041 13 R CB 1.004 31.280 30.300 -0.041 0.000 1.530 13 R HN -0.116 8.102 8.270 -0.086 0.000 0.534 14 R N 2.835 123.309 120.500 -0.045 0.000 4.792 14 R HA -0.001 4.254 4.340 -0.143 0.000 0.205 14 R C -0.564 175.739 176.300 0.005 0.000 1.875 14 R CA -0.070 56.034 56.100 0.007 0.000 1.588 14 R CB -1.295 29.133 30.300 0.213 0.000 1.401 14 R HN 0.306 8.571 8.270 -0.009 0.000 0.834 15 K N -0.812 119.490 120.400 -0.163 0.000 3.165 15 K HA 0.057 4.469 4.320 0.154 0.000 0.270 15 K C -0.360 176.311 176.600 0.118 0.000 1.111 15 K CA -0.569 55.707 56.287 -0.019 0.000 1.216 15 K CB -1.582 30.767 32.500 -0.253 0.000 1.229 15 K HN -0.027 7.996 8.250 -0.240 0.083 0.435 16 H N 0.833 120.012 119.070 0.181 0.000 2.352 16 H HA -0.249 4.365 4.556 0.096 0.000 0.299 16 H C 1.245 176.653 175.328 0.134 0.000 1.097 16 H CA 3.253 59.376 56.048 0.125 0.000 1.311 16 H CB 0.239 30.048 29.762 0.079 0.000 1.377 16 H HN -0.249 8.011 8.280 0.143 0.105 0.504 17 L N -0.834 120.556 121.223 0.278 0.000 2.968 17 L HA 0.092 4.452 4.340 0.033 0.000 0.235 17 L C -1.442 175.327 176.870 -0.167 0.000 1.323 17 L CA -0.823 54.040 54.840 0.040 0.000 1.159 17 L CB -1.396 40.629 42.059 -0.056 0.000 1.523 17 L HN 0.057 8.502 8.230 0.375 0.011 0.468 18 F N -1.710 118.252 119.950 0.021 0.000 2.613 18 F HA 0.562 5.281 4.527 0.008 -0.187 0.314 18 F C -0.754 175.046 175.800 -0.000 0.000 1.075 18 F CA -1.248 56.756 58.000 0.005 0.000 0.945 18 F CB 4.864 43.861 39.000 -0.005 0.000 1.310 18 F HN -0.868 7.516 8.300 0.290 0.090 0.467 19 V N -3.268 116.766 119.914 0.200 0.000 3.078 19 V HA 0.519 4.698 4.120 0.099 0.000 0.311 19 V C -2.596 173.564 176.094 0.110 0.000 1.138 19 V CA -2.180 60.188 62.300 0.114 0.000 1.007 19 V CB 3.748 35.608 31.823 0.062 0.000 1.045 19 V HN 0.918 9.245 8.190 0.228 0.000 0.432 20 Q N 2.785 122.624 119.800 0.066 0.000 2.289 20 Q HA 0.382 4.925 4.340 0.057 -0.169 0.270 20 Q C -1.600 174.417 176.000 0.029 0.000 1.038 20 Q CA -1.618 54.213 55.803 0.047 0.000 0.812 20 Q CB 3.503 32.259 28.738 0.029 0.000 1.300 20 Q HN 0.117 8.418 8.270 0.051 0.000 0.427 21 D N 6.540 126.955 120.400 0.025 0.000 2.382 21 D HA 0.150 4.801 4.640 0.017 0.000 0.259 21 D C -0.822 175.485 176.300 0.011 0.000 1.224 21 D CA -1.840 52.170 54.000 0.017 0.000 0.894 21 D CB 1.064 41.874 40.800 0.016 0.000 1.127 21 D HN 0.205 8.592 8.370 0.029 0.000 0.487 22 P HA 0.103 4.525 4.420 0.004 0.000 0.235 22 P C -1.950 175.353 177.300 0.004 0.000 1.725 22 P CA -0.031 63.072 63.100 0.005 0.000 0.894 22 P CB -0.835 30.869 31.700 0.005 0.000 1.704 23 Q N -2.667 117.135 119.800 0.005 0.000 2.497 23 Q HA 0.141 4.483 4.340 0.002 0.000 0.201 23 Q C 0.709 176.711 176.000 0.003 0.000 0.724 23 Q CA 0.591 56.396 55.803 0.003 0.000 0.923 23 Q CB 2.791 31.531 28.738 0.004 0.000 1.302 23 Q HN -0.190 8.071 8.270 0.006 0.012 0.484 24 T N -5.677 108.880 114.554 0.005 0.000 3.044 24 T HA 0.086 4.438 4.350 0.003 0.000 0.250 24 T C 0.989 175.692 174.700 0.005 0.000 1.081 24 T CA 0.221 62.324 62.100 0.005 0.000 1.040 24 T CB 2.134 71.006 68.868 0.007 0.000 0.962 24 T HN 0.122 8.747 8.240 0.006 -0.382 0.506 25 c N -1.652 116.952 118.600 0.006 0.000 4.358 25 c HA -0.375 4.282 4.570 0.005 -0.084 0.287 25 c C -0.795 173.301 174.090 0.010 0.000 1.414 25 c CA 0.695 57.027 56.329 0.005 0.000 1.949 25 c CB -3.602 38.907 42.510 -0.002 0.000 1.274 25 c HN -0.145 8.089 8.230 0.006 0.000 0.793 26 K N 0.092 120.502 120.400 0.016 0.000 2.322 26 K HA -0.015 4.318 4.320 0.022 0.000 0.283 26 K C -0.338 176.284 176.600 0.038 0.000 1.042 26 K CA 0.315 56.616 56.287 0.023 0.000 0.958 26 K CB 0.883 33.396 32.500 0.021 0.000 0.984 26 K HN -0.600 7.618 8.250 0.014 0.040 0.473 27 c N 4.760 123.392 118.600 0.053 0.000 2.365 27 c HA 0.664 5.424 4.570 0.096 -0.132 0.351 27 c C 0.128 174.287 174.090 0.115 0.000 1.240 27 c CA -1.453 54.934 56.329 0.097 0.000 2.062 27 c CB 0.757 43.332 42.510 0.109 0.000 2.387 27 c HN 0.465 8.723 8.230 0.046 0.000 0.537 28 S N 1.172 116.954 115.700 0.136 0.000 2.546 28 S HA 0.297 4.813 4.470 0.076 0.000 0.274 28 S C -1.422 173.205 174.600 0.045 0.000 1.121 28 S CA -0.877 57.372 58.200 0.081 0.000 0.887 28 S CB 4.024 67.244 63.200 0.033 0.000 1.094 28 S HN 0.738 9.146 8.310 0.163 0.000 0.474 29 c N 4.159 122.684 118.600 -0.126 0.000 2.637 29 c HA 0.097 4.337 4.570 -0.741 -0.115 0.418 29 c C 1.404 175.367 174.090 -0.211 0.000 1.319 29 c CA 0.470 56.557 56.329 -0.404 0.000 1.949 29 c CB -0.571 41.648 42.510 -0.486 0.000 2.639 29 c HN 0.601 8.780 8.230 -0.085 0.000 0.594 30 K N 5.059 125.336 120.400 -0.205 0.000 2.097 30 K HA -0.349 3.940 4.320 -0.053 0.000 0.206 30 K C -0.277 176.268 176.600 -0.092 0.000 1.049 30 K CA 2.356 58.586 56.287 -0.095 0.000 0.933 30 K CB 0.291 32.759 32.500 -0.054 0.000 0.717 30 K HN 0.190 8.116 8.250 -0.314 0.136 0.442 31 N N -0.706 117.915 118.700 -0.132 0.000 2.457 31 N HA 0.018 4.716 4.740 -0.069 0.000 0.250 31 N C -1.239 174.210 175.510 -0.102 0.000 0.982 31 N CA -0.754 52.237 53.050 -0.099 0.000 0.941 31 N CB 0.662 39.090 38.487 -0.098 0.000 1.120 31 N HN -0.453 7.782 8.380 -0.203 0.023 0.505 32 T N -0.681 113.831 114.554 -0.069 0.000 2.927 32 T HA 0.152 4.461 4.350 -0.068 0.000 0.281 32 T C 0.194 174.868 174.700 -0.044 0.000 0.998 32 T CA -1.681 60.385 62.100 -0.057 0.000 1.019 32 T CB 3.565 72.408 68.868 -0.041 0.000 1.061 32 T HN -0.170 8.037 8.240 -0.055 0.000 0.518 33 D N 1.709 122.087 120.400 -0.036 0.000 2.218 33 D HA -0.327 4.296 4.640 -0.028 0.000 0.204 33 D C 1.586 177.873 176.300 -0.021 0.000 0.976 33 D CA 3.982 57.966 54.000 -0.027 0.000 0.853 33 D CB -0.116 40.671 40.800 -0.021 0.000 0.939 33 D HN 0.408 8.756 8.370 -0.036 0.000 0.481 34 S N -0.527 115.161 115.700 -0.020 0.000 2.359 34 S HA -0.354 4.108 4.470 -0.013 0.000 0.224 34 S C 2.007 176.597 174.600 -0.016 0.000 1.035 34 S CA 3.500 61.691 58.200 -0.016 0.000 1.018 34 S CB -0.341 62.850 63.200 -0.015 0.000 0.876 34 S HN 0.193 8.467 8.310 -0.022 0.023 0.448 35 R N 0.828 121.316 120.500 -0.020 0.000 2.075 35 R HA -0.226 4.104 4.340 -0.016 0.000 0.232 35 R C 2.410 178.699 176.300 -0.018 0.000 1.126 35 R CA 2.831 58.919 56.100 -0.020 0.000 0.963 35 R CB -0.346 29.940 30.300 -0.024 0.000 0.858 35 R HN -0.624 7.539 8.270 -0.025 0.092 0.435 36 c N -1.226 117.362 118.600 -0.021 0.000 2.413 36 c HA -0.236 4.323 4.570 -0.018 0.000 0.276 36 c C 2.518 176.600 174.090 -0.014 0.000 1.236 36 c CA 3.336 59.653 56.329 -0.019 0.000 1.735 36 c CB -2.030 40.468 42.510 -0.021 0.000 2.031 36 c HN -0.358 7.857 8.230 -0.025 0.000 0.474 37 K N 1.093 121.485 120.400 -0.013 0.000 2.063 37 K HA -0.274 4.150 4.320 -0.010 -0.111 0.208 37 K C 2.756 179.351 176.600 -0.009 0.000 1.048 37 K CA 3.283 59.564 56.287 -0.010 0.000 0.928 37 K CB -0.196 32.298 32.500 -0.010 0.000 0.713 37 K HN 0.309 8.443 8.250 -0.015 0.107 0.442 38 A N -1.491 121.323 122.820 -0.010 0.000 2.019 38 A HA -0.102 4.214 4.320 -0.008 0.000 0.219 38 A C 1.073 178.652 177.584 -0.008 0.000 1.164 38 A CA 2.396 54.428 52.037 -0.009 0.000 0.644 38 A CB -0.499 18.496 19.000 -0.009 0.000 0.805 38 A HN -0.138 7.930 8.150 -0.012 0.075 0.449 39 R N -3.436 117.058 120.500 -0.010 0.000 2.359 39 R HA 0.048 4.383 4.340 -0.008 0.000 0.231 39 R C -1.018 175.277 176.300 -0.008 0.000 0.913 39 R CA -0.853 55.241 56.100 -0.009 0.000 1.075 39 R CB 0.081 30.375 30.300 -0.010 0.000 1.087 39 R HN -0.480 7.624 8.270 -0.011 0.159 0.515 40 Q N -4.651 115.144 119.800 -0.008 0.000 2.460 40 Q HA -0.467 3.928 4.340 -0.007 -0.059 0.311 40 Q C -1.752 174.244 176.000 -0.007 0.000 1.396 40 Q CA 1.372 57.171 55.803 -0.007 0.000 0.838 40 Q CB -2.862 25.872 28.738 -0.006 0.000 1.140 40 Q HN -0.190 7.869 8.270 -0.008 0.206 0.415 41 L N -5.529 115.689 121.223 -0.009 0.000 2.389 41 L HA 0.326 4.661 4.340 -0.008 0.000 0.249 41 L C -1.783 175.080 176.870 -0.010 0.000 1.083 41 L CA -1.515 53.320 54.840 -0.009 0.000 0.876 41 L CB 4.889 46.941 42.059 -0.011 0.000 1.489 41 L HN -0.153 7.967 8.230 -0.009 0.105 0.412 42 E N -3.206 116.987 120.200 -0.011 0.000 2.312 42 E HA 0.493 4.948 4.350 -0.013 -0.113 0.267 42 E C -1.805 174.786 176.600 -0.015 0.000 0.894 42 E CA -1.740 54.653 56.400 -0.012 0.000 0.773 42 E CB 4.619 34.314 29.700 -0.008 0.000 1.241 42 E HN 0.339 8.693 8.360 -0.010 0.000 0.432 43 L N 2.112 123.324 121.223 -0.019 0.000 2.331 43 L HA 0.075 4.519 4.340 -0.028 -0.121 0.278 43 L C -0.897 175.962 176.870 -0.018 0.000 1.106 43 L CA -0.297 54.528 54.840 -0.025 0.000 0.824 43 L CB 1.313 43.351 42.059 -0.035 0.000 1.142 43 L HN 0.324 8.909 8.230 -0.018 -0.366 0.443 44 N N 6.602 125.292 118.700 -0.017 0.000 2.439 44 N HA 0.021 4.760 4.740 -0.002 0.000 0.243 44 N C 0.233 175.739 175.510 -0.007 0.000 1.088 44 N CA -1.036 52.010 53.050 -0.006 0.000 0.940 44 N CB 0.306 38.792 38.487 -0.001 0.000 1.180 44 N HN 0.466 8.833 8.380 -0.022 0.000 0.505 45 E N 5.709 125.908 120.200 -0.001 0.000 2.401 45 E HA -0.267 4.070 4.350 -0.022 0.000 0.199 45 E C 0.779 177.403 176.600 0.039 0.000 1.023 45 E CA 2.032 58.435 56.400 0.004 0.000 0.859 45 E CB -0.230 29.478 29.700 0.013 0.000 0.780 45 E HN 0.518 8.879 8.360 0.001 0.000 0.523 46 R N -3.338 117.191 120.500 0.048 0.000 2.055 46 R HA -0.102 4.300 4.340 0.103 0.000 0.226 46 R C 1.455 177.826 176.300 0.119 0.000 1.135 46 R CA 3.015 59.165 56.100 0.083 0.000 0.959 46 R CB 0.376 30.710 30.300 0.057 0.000 0.854 46 R HN -0.596 7.871 8.270 0.031 -0.178 0.431 47 T N -2.476 112.123 114.554 0.074 0.000 3.044 47 T HA 0.089 4.525 4.350 0.144 0.000 0.250 47 T C 0.113 174.820 174.700 0.012 0.000 1.081 47 T CA -0.073 62.075 62.100 0.080 0.000 1.040 47 T CB 1.412 70.313 68.868 0.054 0.000 0.962 47 T HN -0.460 7.806 8.240 0.044 0.000 0.506 48 c N 1.039 119.609 118.600 -0.050 0.000 3.896 48 c HA -0.316 4.272 4.570 -0.104 -0.080 0.300 48 c C -1.332 172.703 174.090 -0.092 0.000 1.322 48 c CA 0.719 56.969 56.329 -0.131 0.000 2.130 48 c CB -3.092 39.217 42.510 -0.334 0.000 1.363 48 c HN 0.011 8.187 8.230 -0.017 0.044 0.642 49 R N -2.308 118.164 120.500 -0.047 0.000 2.854 49 R HA 0.361 4.676 4.340 -0.041 0.000 0.271 49 R C -1.255 175.028 176.300 -0.027 0.000 0.994 49 R CA -2.132 53.948 56.100 -0.033 0.000 0.945 49 R CB 4.004 34.294 30.300 -0.017 0.000 1.194 49 R HN -0.672 7.577 8.270 -0.034 0.000 0.476 50 c N 1.784 120.370 118.600 -0.024 0.000 2.415 50 c HA 0.474 5.191 4.570 -0.021 -0.160 0.369 50 c C 0.211 174.293 174.090 -0.013 0.000 1.279 50 c CA -1.303 55.014 56.329 -0.020 0.000 1.886 50 c CB -1.477 41.021 42.510 -0.020 0.000 2.468 50 c HN 0.473 8.688 8.230 -0.024 0.000 0.553 51 D N 5.082 125.476 120.400 -0.011 0.000 2.497 51 D HA 0.363 4.999 4.640 -0.007 0.000 0.243 51 D C -1.552 174.744 176.300 -0.007 0.000 1.039 51 D CA -1.619 52.377 54.000 -0.007 0.000 1.052 51 D CB 2.183 42.980 40.800 -0.005 0.000 1.344 51 D HN 0.923 9.285 8.370 -0.012 0.000 0.553 52 K N -0.797 119.600 120.400 -0.005 0.000 2.485 52 K HA -0.108 4.209 4.320 -0.005 0.000 0.277 52 K C -0.515 176.083 176.600 -0.004 0.000 0.990 52 K CA 0.011 56.295 56.287 -0.004 0.000 0.994 52 K CB -0.680 31.818 32.500 -0.003 0.000 0.906 52 K HN 0.219 8.467 8.250 -0.004 0.000 0.488 53 P HA -0.107 4.340 4.420 -0.005 -0.030 0.208 53 P C -0.554 176.744 177.300 -0.003 0.000 1.203 53 P CA 1.487 64.584 63.100 -0.004 0.000 0.920 53 P CB 0.492 32.190 31.700 -0.005 0.000 0.769 54 R N -1.190 119.309 120.500 -0.003 0.000 2.734 54 R HA 0.145 4.484 4.340 -0.001 0.000 0.242 54 R C -2.065 174.234 176.300 -0.002 0.000 1.617 54 R CA -0.162 55.937 56.100 -0.002 0.000 1.572 54 R CB -0.058 30.241 30.300 -0.001 0.000 1.477 54 R HN -0.074 8.194 8.270 -0.003 0.000 0.707 55 R N 0.000 120.499 120.500 -0.002 0.000 2.786 55 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 55 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 55 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 55 R HN 0.000 8.269 8.270 -0.002 0.000 0.535