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 2k9i_1_B DATA FIRST_RESID 2 DATA SEQUENCE GRPYKLLNGI KLGVYIPQEW HDRLMEIAKE KNLTLSDVCR LAIKEYLDNH DATA SEQUENCE DKQKK 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.935 3.960 -0.041 0.000 0.244 2 G C 0.000 174.869 174.900 -0.052 0.000 0.946 2 G CA 0.000 45.075 45.100 -0.041 0.000 0.502 3 R N -0.658 119.791 120.500 -0.084 0.000 2.983 3 R HA -0.213 4.037 4.340 -0.149 0.000 0.272 3 R C -2.214 174.025 176.300 -0.101 0.000 0.926 3 R CA -0.241 55.797 56.100 -0.104 0.000 0.667 3 R CB -0.967 29.296 30.300 -0.063 0.000 1.540 3 R HN 0.166 8.380 8.270 -0.094 0.000 0.467 4 P HA -0.024 4.397 4.420 0.001 0.000 0.214 4 P C -1.137 176.183 177.300 0.034 0.000 1.162 4 P CA 0.883 63.939 63.100 -0.073 0.000 0.871 4 P CB 0.472 32.107 31.700 -0.108 0.000 0.783 5 Y N -7.972 112.328 120.300 0.001 0.000 2.625 5 Y HA 0.220 4.771 4.550 0.001 0.000 0.338 5 Y C -0.350 175.550 175.900 0.001 0.000 1.123 5 Y CA -2.128 55.973 58.100 0.001 0.000 1.046 5 Y CB 1.085 39.546 38.460 0.001 0.000 1.299 5 Y HN -0.818 7.073 8.280 -0.648 0.000 0.464 6 K N -0.719 119.798 120.400 0.195 0.000 7.382 6 K HA -0.378 4.008 4.320 0.110 0.000 0.476 6 K C -0.490 176.128 176.600 0.030 0.000 0.371 6 K CA 2.069 58.425 56.287 0.114 0.000 1.942 6 K CB -1.324 31.268 32.500 0.153 0.000 0.717 6 K HN 0.432 8.811 8.250 0.215 0.000 0.835 7 L N -0.535 120.672 121.223 -0.027 0.000 2.627 7 L HA -0.024 4.304 4.340 -0.020 0.000 0.232 7 L C 0.684 177.538 176.870 -0.025 0.000 1.150 7 L CA 0.587 55.404 54.840 -0.038 0.000 0.917 7 L CB -0.091 41.923 42.059 -0.076 0.000 1.104 7 L HN -0.036 8.035 8.230 -0.075 0.113 0.445 8 L N -1.723 119.496 121.223 -0.007 0.000 2.307 8 L HA -0.120 4.215 4.340 -0.008 0.000 0.211 8 L C 0.545 177.418 176.870 0.005 0.000 1.099 8 L CA 0.511 55.351 54.840 -0.000 0.000 0.816 8 L CB -0.137 41.929 42.059 0.012 0.000 0.952 8 L HN -0.321 7.822 8.230 0.005 0.089 0.455 9 N N -0.788 117.919 118.700 0.011 0.000 2.688 9 N HA -0.273 4.476 4.740 0.015 0.000 0.258 9 N C -0.983 174.532 175.510 0.009 0.000 1.016 9 N CA 0.782 53.839 53.050 0.010 0.000 0.747 9 N CB -0.793 37.697 38.487 0.004 0.000 0.895 9 N HN -0.604 7.768 8.380 0.017 0.017 0.543 10 G N 0.318 109.125 108.800 0.012 0.000 2.152 10 G HA2 0.039 4.003 3.960 0.006 0.000 0.290 10 G HA3 0.039 4.003 3.960 0.006 0.000 0.290 10 G C -1.552 173.355 174.900 0.010 0.000 1.307 10 G CA -0.249 44.856 45.100 0.008 0.000 1.289 10 G HN -0.233 8.067 8.290 0.017 0.000 0.612 11 I N 2.423 122.998 120.570 0.008 0.000 2.648 11 I HA 0.221 4.398 4.170 0.011 0.000 0.304 11 I C -0.426 175.692 176.117 0.003 0.000 1.009 11 I CA -1.244 60.061 61.300 0.008 0.000 1.114 11 I CB 1.980 39.986 38.000 0.009 0.000 1.293 11 I HN -0.003 8.211 8.210 0.006 0.000 0.449 12 K N 5.697 126.099 120.400 0.002 0.000 2.234 12 K HA 0.242 4.558 4.320 -0.006 0.000 0.277 12 K C -0.836 175.762 176.600 -0.005 0.000 1.038 12 K CA -0.337 55.948 56.287 -0.003 0.000 0.888 12 K CB 0.109 32.609 32.500 -0.001 0.000 1.091 12 K HN 0.038 8.291 8.250 0.005 0.000 0.467 13 L N 1.644 122.860 121.223 -0.012 0.000 2.410 13 L HA 0.447 4.783 4.340 -0.007 0.000 0.270 13 L C -0.301 176.549 176.870 -0.034 0.000 0.983 13 L CA -0.247 54.585 54.840 -0.014 0.000 0.822 13 L CB 1.774 43.826 42.059 -0.011 0.000 1.285 13 L HN 0.094 8.315 8.230 -0.015 0.000 0.409 14 G N 1.523 110.299 108.800 -0.040 0.000 2.335 14 G HA2 0.279 4.164 3.960 -0.125 0.000 0.314 14 G HA3 0.279 4.172 3.960 -0.111 0.000 0.314 14 G C -0.593 174.239 174.900 -0.113 0.000 1.129 14 G CA -0.537 44.501 45.100 -0.103 0.000 0.912 14 G HN 0.021 8.301 8.290 -0.016 0.000 0.443 15 V N 2.431 122.251 119.914 -0.156 0.000 2.713 15 V HA 0.109 4.225 4.120 -0.006 0.000 0.307 15 V C -0.591 175.381 176.094 -0.203 0.000 1.052 15 V CA -0.374 61.875 62.300 -0.085 0.000 0.967 15 V CB 1.514 33.329 31.823 -0.014 0.000 1.019 15 V HN 0.088 8.178 8.190 -0.166 0.000 0.459 16 Y N 3.140 123.470 120.300 0.050 0.000 2.332 16 Y HA 0.216 4.812 4.550 0.076 0.000 0.326 16 Y C -1.135 174.784 175.900 0.032 0.000 0.978 16 Y CA -0.193 57.934 58.100 0.046 0.000 1.205 16 Y CB 0.723 39.189 38.460 0.010 0.000 1.131 16 Y HN 0.058 8.436 8.280 0.164 0.000 0.462 17 I N 0.859 121.566 120.570 0.227 0.000 2.934 17 I HA 0.603 4.735 4.170 -0.064 0.000 0.306 17 I C -2.772 173.393 176.117 0.079 0.000 1.110 17 I CA -3.958 57.392 61.300 0.083 0.000 1.019 17 I CB 1.956 40.085 38.000 0.215 0.000 1.227 17 I HN -0.115 8.266 8.210 0.286 0.000 0.434 18 P HA 0.013 4.379 4.420 -0.090 0.000 0.270 18 P C -0.507 176.838 177.300 0.075 0.000 1.223 18 P CA -0.566 62.456 63.100 -0.130 0.000 0.785 18 P CB 0.641 32.141 31.700 -0.333 0.000 0.923 19 Q N 1.368 121.181 119.800 0.022 0.000 2.297 19 Q HA -0.398 4.004 4.340 0.105 0.000 0.204 19 Q C 1.509 177.604 176.000 0.159 0.000 0.962 19 Q CA 3.224 59.070 55.803 0.072 0.000 0.879 19 Q CB -0.865 27.857 28.738 -0.027 0.000 0.947 19 Q HN 0.457 8.703 8.270 -0.041 0.000 0.462 20 E N -0.234 120.022 120.200 0.094 0.000 2.097 20 E HA -0.308 4.117 4.350 0.124 0.000 0.196 20 E C 2.066 178.859 176.600 0.321 0.000 1.000 20 E CA 3.093 59.579 56.400 0.143 0.000 0.804 20 E CB -0.965 28.774 29.700 0.065 0.000 0.740 20 E HN 0.679 9.027 8.360 0.014 0.020 0.454 21 W N -2.039 119.317 121.300 0.093 0.000 2.476 21 W HA -0.157 4.520 4.660 0.029 0.000 0.281 21 W C 2.048 178.587 176.519 0.034 0.000 1.230 21 W CA 1.242 58.617 57.345 0.050 0.000 1.287 21 W CB -0.817 28.660 29.460 0.029 0.000 1.108 21 W HN -0.573 7.675 8.180 0.267 0.092 0.567 22 H N -0.912 118.301 119.070 0.238 0.000 2.387 22 H HA -0.357 4.277 4.556 0.130 0.000 0.299 22 H C 2.752 178.139 175.328 0.098 0.000 1.090 22 H CA 4.319 60.448 56.048 0.135 0.000 1.332 22 H CB -0.099 29.719 29.762 0.095 0.000 1.386 22 H HN -0.623 7.884 8.280 0.527 0.090 0.516 23 D N -0.927 119.604 120.400 0.218 0.000 2.077 23 D HA -0.325 4.385 4.640 0.117 0.000 0.193 23 D C 2.034 178.392 176.300 0.096 0.000 0.989 23 D CA 3.626 57.706 54.000 0.133 0.000 0.831 23 D CB 0.232 41.102 40.800 0.116 0.000 0.979 23 D HN 0.241 8.653 8.370 0.251 0.109 0.449 24 R N -1.150 119.411 120.500 0.103 0.000 2.057 24 R HA -0.137 4.230 4.340 0.045 0.000 0.229 24 R C 2.769 179.078 176.300 0.014 0.000 1.136 24 R CA 1.963 58.096 56.100 0.055 0.000 0.952 24 R CB -0.478 29.855 30.300 0.055 0.000 0.848 24 R HN -0.640 7.720 8.270 0.150 0.000 0.430 25 L N -0.674 120.549 121.223 -0.000 0.000 2.056 25 L HA -0.180 4.114 4.340 -0.077 0.000 0.207 25 L C 2.490 179.336 176.870 -0.040 0.000 1.078 25 L CA 2.939 57.745 54.840 -0.057 0.000 0.749 25 L CB -0.995 41.001 42.059 -0.105 0.000 0.901 25 L HN 0.438 8.590 8.230 0.043 0.104 0.433 26 M N -2.858 116.732 119.600 -0.017 0.000 2.229 26 M HA -0.309 4.154 4.480 -0.028 0.000 0.264 26 M C 2.537 178.840 176.300 0.005 0.000 1.063 26 M CA 1.611 56.907 55.300 -0.007 0.000 1.114 26 M CB -1.362 31.253 32.600 0.025 0.000 1.387 26 M HN -0.586 7.707 8.290 0.005 0.000 0.420 27 E N 0.549 120.757 120.200 0.014 0.000 2.106 27 E HA -0.230 4.129 4.350 0.015 0.000 0.192 27 E C 2.537 179.137 176.600 -0.001 0.000 0.984 27 E CA 2.889 59.296 56.400 0.012 0.000 0.806 27 E CB -0.496 29.215 29.700 0.018 0.000 0.750 27 E HN -0.697 7.665 8.360 0.022 0.011 0.458 28 I N -0.583 119.980 120.570 -0.011 0.000 2.315 28 I HA -0.441 3.720 4.170 -0.015 0.000 0.248 28 I C 1.547 177.651 176.117 -0.021 0.000 1.117 28 I CA 3.582 64.871 61.300 -0.020 0.000 1.404 28 I CB -0.279 37.701 38.000 -0.034 0.000 1.071 28 I HN -0.421 7.782 8.210 -0.012 0.000 0.419 29 A N -2.319 120.487 122.820 -0.023 0.000 2.125 29 A HA -0.323 3.981 4.320 -0.027 0.000 0.219 29 A C 1.490 179.067 177.584 -0.012 0.000 1.156 29 A CA 3.007 55.030 52.037 -0.023 0.000 0.671 29 A CB -0.912 18.071 19.000 -0.028 0.000 0.794 29 A HN 0.408 8.332 8.150 -0.024 0.211 0.459 30 K N -2.159 118.237 120.400 -0.006 0.000 2.021 30 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 30 K C 1.714 178.311 176.600 -0.004 0.000 1.047 30 K CA 2.022 58.308 56.287 -0.002 0.000 0.943 30 K CB -0.397 32.105 32.500 0.003 0.000 0.725 30 K HN -0.676 7.395 8.250 -0.006 0.176 0.439 31 E N -0.830 119.366 120.200 -0.006 0.000 2.118 31 E HA -0.226 4.121 4.350 -0.005 0.000 0.195 31 E C 1.870 178.464 176.600 -0.009 0.000 0.992 31 E CA 2.350 58.746 56.400 -0.007 0.000 0.804 31 E CB 0.196 29.891 29.700 -0.008 0.000 0.741 31 E HN -0.763 7.593 8.360 -0.006 0.000 0.458 32 K N -3.699 116.693 120.400 -0.013 0.000 2.379 32 K HA 0.015 4.327 4.320 -0.013 0.000 0.194 32 K C -0.655 175.938 176.600 -0.013 0.000 1.031 32 K CA -0.915 55.363 56.287 -0.014 0.000 1.037 32 K CB 0.236 32.724 32.500 -0.020 0.000 0.824 32 K HN -0.155 8.071 8.250 -0.014 0.015 0.516 33 N N -1.640 117.054 118.700 -0.011 0.000 2.746 33 N HA -0.411 4.380 4.740 -0.007 -0.055 0.250 33 N C -1.653 173.850 175.510 -0.011 0.000 1.055 33 N CA 1.297 54.342 53.050 -0.009 0.000 0.699 33 N CB -1.518 36.965 38.487 -0.007 0.000 0.919 33 N HN -0.462 7.669 8.380 -0.010 0.242 0.548 34 L N -2.783 118.431 121.223 -0.015 0.000 2.341 34 L HA 0.367 4.697 4.340 -0.016 0.000 0.254 34 L C -1.168 175.689 176.870 -0.022 0.000 1.040 34 L CA -1.748 53.081 54.840 -0.019 0.000 0.837 34 L CB 3.818 45.862 42.059 -0.025 0.000 1.425 34 L HN 0.151 8.252 8.230 -0.016 0.120 0.414 35 T N -2.476 112.063 114.554 -0.026 0.000 2.943 35 T HA 0.435 4.768 4.350 -0.028 0.000 0.284 35 T C 1.262 175.931 174.700 -0.050 0.000 1.015 35 T CA -2.278 59.803 62.100 -0.031 0.000 1.042 35 T CB 3.223 72.076 68.868 -0.024 0.000 1.055 35 T HN 0.207 8.768 8.240 -0.024 -0.336 0.500 36 L N -0.845 120.334 121.223 -0.074 0.000 2.191 36 L HA -0.208 4.073 4.340 -0.098 0.000 0.212 36 L C 1.161 177.984 176.870 -0.078 0.000 1.103 36 L CA 3.807 58.586 54.840 -0.103 0.000 0.769 36 L CB -0.963 40.983 42.059 -0.187 0.000 0.908 36 L HN -0.162 8.024 8.230 -0.073 0.000 0.438 37 S N 1.042 116.706 115.700 -0.060 0.000 2.370 37 S HA -0.440 4.003 4.470 -0.045 0.000 0.226 37 S C 1.808 176.384 174.600 -0.039 0.000 1.033 37 S CA 3.686 61.859 58.200 -0.045 0.000 1.011 37 S CB -0.794 62.384 63.200 -0.037 0.000 0.852 37 S HN -0.029 8.229 8.310 -0.058 0.017 0.457 38 D N 1.899 122.276 120.400 -0.038 0.000 2.097 38 D HA -0.194 4.430 4.640 -0.027 0.000 0.195 38 D C 2.099 178.375 176.300 -0.040 0.000 0.989 38 D CA 3.359 57.339 54.000 -0.033 0.000 0.827 38 D CB -0.018 40.764 40.800 -0.029 0.000 0.966 38 D HN -0.789 7.453 8.370 -0.039 0.105 0.456 39 V N 0.517 120.399 119.914 -0.053 0.000 2.407 39 V HA -0.395 3.691 4.120 -0.057 0.000 0.248 39 V C 2.189 178.239 176.094 -0.073 0.000 1.055 39 V CA 4.192 66.452 62.300 -0.067 0.000 1.049 39 V CB -0.369 31.400 31.823 -0.089 0.000 0.662 39 V HN -0.152 7.928 8.190 -0.056 0.076 0.455 40 C N -0.799 118.460 119.300 -0.069 0.000 2.436 40 C HA -0.359 4.049 4.460 -0.087 0.000 0.277 40 C C 1.765 176.728 174.990 -0.045 0.000 1.241 40 C CA 3.408 62.389 59.018 -0.061 0.000 1.721 40 C CB -1.191 26.528 27.740 -0.035 0.000 2.043 40 C HN 0.352 8.440 8.230 -0.064 0.103 0.472 41 R N 0.293 120.773 120.500 -0.034 0.000 2.096 41 R HA -0.304 4.024 4.340 -0.021 0.000 0.240 41 R C 2.618 178.909 176.300 -0.016 0.000 1.139 41 R CA 3.192 59.278 56.100 -0.023 0.000 0.952 41 R CB -0.560 29.728 30.300 -0.019 0.000 0.854 41 R HN -0.791 7.458 8.270 -0.035 0.000 0.436 42 L N -2.719 118.492 121.223 -0.021 0.000 2.131 42 L HA -0.248 4.089 4.340 -0.005 0.000 0.210 42 L C 2.120 178.987 176.870 -0.005 0.000 1.092 42 L CA 2.528 57.360 54.840 -0.013 0.000 0.759 42 L CB -0.499 41.547 42.059 -0.022 0.000 0.903 42 L HN 0.319 8.423 8.230 -0.029 0.109 0.435 43 A N -1.582 121.227 122.820 -0.018 0.000 2.066 43 A HA -0.188 4.137 4.320 0.007 0.000 0.218 43 A C 1.747 179.360 177.584 0.048 0.000 1.157 43 A CA 2.769 54.804 52.037 -0.002 0.000 0.670 43 A CB -0.964 18.006 19.000 -0.051 0.000 0.804 43 A HN 0.233 8.153 8.150 -0.035 0.209 0.453 44 I N -0.807 119.778 120.570 0.025 0.000 2.252 44 I HA -0.535 3.676 4.170 0.068 0.000 0.245 44 I C 1.605 177.787 176.117 0.108 0.000 1.102 44 I CA 3.542 64.875 61.300 0.055 0.000 1.385 44 I CB -0.243 37.760 38.000 0.005 0.000 1.064 44 I HN -0.508 7.554 8.210 -0.002 0.147 0.414 45 K N -0.521 119.916 120.400 0.063 0.000 2.147 45 K HA -0.371 3.986 4.320 0.061 0.000 0.205 45 K C 2.158 178.800 176.600 0.070 0.000 1.049 45 K CA 2.840 59.161 56.287 0.058 0.000 0.936 45 K CB -0.648 31.870 32.500 0.030 0.000 0.722 45 K HN -0.607 7.665 8.250 0.037 0.000 0.446 46 E N -0.275 119.971 120.200 0.076 0.000 2.072 46 E HA -0.274 4.104 4.350 0.046 0.000 0.190 46 E C 1.949 178.624 176.600 0.125 0.000 0.982 46 E CA 2.671 59.115 56.400 0.074 0.000 0.803 46 E CB -0.306 29.428 29.700 0.056 0.000 0.755 46 E HN -0.616 7.676 8.360 0.068 0.108 0.453 47 Y N 0.698 121.026 120.300 0.047 0.000 2.181 47 Y HA -0.407 4.240 4.550 0.162 0.000 0.288 47 Y C 2.070 178.056 175.900 0.143 0.000 1.146 47 Y CA 3.728 61.890 58.100 0.102 0.000 1.164 47 Y CB 0.102 38.581 38.460 0.031 0.000 0.982 47 Y HN -0.015 8.221 8.280 0.256 0.198 0.515 48 L N -2.567 118.772 121.223 0.192 0.000 2.005 48 L HA -0.521 3.872 4.340 0.088 0.000 0.207 48 L C 1.806 178.711 176.870 0.058 0.000 1.072 48 L CA 3.158 58.062 54.840 0.106 0.000 0.744 48 L CB -0.638 41.480 42.059 0.098 0.000 0.895 48 L HN 0.431 8.686 8.230 0.228 0.111 0.433 49 D N -1.262 119.166 120.400 0.047 0.000 2.178 49 D HA -0.250 4.538 4.640 0.016 -0.138 0.201 49 D C 2.650 178.942 176.300 -0.013 0.000 0.980 49 D CA 2.894 56.904 54.000 0.017 0.000 0.842 49 D CB 0.151 40.959 40.800 0.013 0.000 0.948 49 D HN -0.350 8.058 8.370 0.063 0.000 0.472 50 N N -2.104 116.576 118.700 -0.033 0.000 2.409 50 N HA -0.171 4.507 4.740 -0.105 0.000 0.179 50 N C 1.073 176.449 175.510 -0.224 0.000 1.032 50 N CA 2.156 55.130 53.050 -0.126 0.000 0.898 50 N CB 0.604 38.992 38.487 -0.164 0.000 0.971 50 N HN -0.299 8.065 8.380 -0.000 0.016 0.441 51 H N -1.817 117.148 119.070 -0.176 0.000 2.406 51 H HA 0.128 4.594 4.556 -0.150 0.000 0.304 51 H C -0.559 174.712 175.328 -0.094 0.000 1.042 51 H CA 1.979 57.926 56.048 -0.168 0.000 1.360 51 H CB 1.814 31.417 29.762 -0.264 0.000 1.448 51 H HN -0.632 7.541 8.280 0.040 0.131 0.553 52 D N -0.641 119.794 120.400 0.058 0.000 2.256 52 D HA 0.098 4.752 4.640 0.023 0.000 0.246 52 D C -0.958 175.349 176.300 0.011 0.000 1.042 52 D CA -0.814 53.204 54.000 0.029 0.000 0.841 52 D CB 1.857 42.677 40.800 0.034 0.000 1.223 52 D HN 0.151 8.450 8.370 0.068 0.112 0.470 53 K N 3.746 124.148 120.400 0.003 0.000 2.514 53 K HA 0.232 4.550 4.320 -0.002 0.000 0.207 53 K C -0.259 176.343 176.600 0.002 0.000 1.035 53 K CA -1.397 54.889 56.287 -0.002 0.000 1.113 53 K CB -1.382 31.112 32.500 -0.009 0.000 0.846 53 K HN 0.361 8.614 8.250 0.004 0.000 0.491 54 Q N -1.317 118.487 119.800 0.007 0.000 2.354 54 Q HA -0.056 4.287 4.340 0.005 0.000 0.203 54 Q C -0.370 175.635 176.000 0.009 0.000 0.933 54 Q CA 0.641 56.448 55.803 0.008 0.000 0.901 54 Q CB 0.662 29.406 28.738 0.010 0.000 1.007 54 Q HN -0.437 8.188 8.270 0.011 -0.348 0.495 55 K N -5.739 114.668 120.400 0.011 0.000 3.071 55 K HA -0.478 3.852 4.320 0.016 0.000 0.265 55 K C -0.914 175.695 176.600 0.014 0.000 1.060 55 K CA 0.911 57.206 56.287 0.013 0.000 0.767 55 K CB -2.844 29.660 32.500 0.008 0.000 1.241 55 K HN -0.488 7.880 8.250 0.013 -0.110 0.486 56 K N 0.000 120.410 120.400 0.016 0.000 2.780 56 K HA 0.000 4.328 4.320 0.013 0.000 0.191 56 K CA 0.000 56.297 56.287 0.016 0.000 0.838 56 K CB 0.000 32.509 32.500 0.015 0.000 1.064 56 K HN 0.000 8.246 8.250 0.018 0.015 0.543