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_A 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 3.941 3.960 -0.032 0.000 0.244 2 G C 0.000 174.867 174.900 -0.054 0.000 0.946 2 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 3 R N 0.389 120.829 120.500 -0.100 0.000 3.079 3 R HA -0.299 3.897 4.340 -0.240 0.000 0.254 3 R C -2.327 173.906 176.300 -0.112 0.000 0.900 3 R CA -0.147 55.865 56.100 -0.147 0.000 0.641 3 R CB -1.035 29.205 30.300 -0.101 0.000 1.307 3 R HN 0.152 8.357 8.270 -0.109 0.000 0.477 4 P HA 0.018 4.463 4.420 0.043 0.000 0.222 4 P C -1.283 176.093 177.300 0.127 0.000 1.153 4 P CA 0.769 63.896 63.100 0.046 0.000 0.798 4 P CB 0.490 32.292 31.700 0.172 0.000 0.796 5 Y N -8.079 112.221 120.300 0.001 0.000 2.670 5 Y HA 0.269 4.820 4.550 0.001 0.000 0.334 5 Y C 0.165 176.066 175.900 0.002 0.000 1.185 5 Y CA -2.036 56.065 58.100 0.001 0.000 1.053 5 Y CB 1.294 39.755 38.460 0.002 0.000 1.298 5 Y HN -0.646 7.326 8.280 -0.455 0.035 0.459 6 K N -0.762 119.733 120.400 0.158 0.000 10.660 6 K HA -0.365 4.019 4.320 0.107 0.000 0.523 6 K C -0.469 176.123 176.600 -0.013 0.000 0.379 6 K CA 2.131 58.463 56.287 0.075 0.000 1.947 6 K CB -1.381 31.167 32.500 0.079 0.000 0.758 6 K HN 0.339 8.734 8.250 0.241 0.000 1.189 7 L N -0.486 120.683 121.223 -0.090 0.000 2.715 7 L HA -0.008 4.305 4.340 -0.044 0.000 0.238 7 L C 0.507 177.346 176.870 -0.053 0.000 1.212 7 L CA 0.091 54.888 54.840 -0.072 0.000 1.017 7 L CB -0.433 41.563 42.059 -0.104 0.000 1.269 7 L HN -0.015 8.035 8.230 -0.184 0.070 0.452 8 L N -1.488 119.716 121.223 -0.032 0.000 2.168 8 L HA -0.155 4.171 4.340 -0.023 0.000 0.203 8 L C 0.537 177.404 176.870 -0.006 0.000 1.078 8 L CA 0.910 55.740 54.840 -0.016 0.000 0.780 8 L CB 0.150 42.209 42.059 0.000 0.000 0.939 8 L HN -0.352 7.747 8.230 -0.023 0.117 0.451 9 N N -1.698 117.003 118.700 0.001 0.000 2.714 9 N HA -0.225 4.520 4.740 0.010 0.000 0.252 9 N C -0.829 174.683 175.510 0.003 0.000 1.014 9 N CA 1.177 54.229 53.050 0.004 0.000 0.735 9 N CB -0.955 37.531 38.487 -0.001 0.000 0.924 9 N HN -0.526 7.857 8.380 0.005 0.000 0.540 10 G N -1.329 107.475 108.800 0.006 0.000 2.029 10 G HA2 0.328 4.290 3.960 0.003 0.000 0.293 10 G HA3 0.328 4.289 3.960 0.002 0.000 0.293 10 G C -1.226 173.679 174.900 0.007 0.000 1.362 10 G CA -0.173 44.930 45.100 0.004 0.000 1.226 10 G HN -0.149 8.137 8.290 0.010 0.009 0.599 11 I N 1.114 121.688 120.570 0.007 0.000 2.846 11 I HA 0.421 4.597 4.170 0.009 0.000 0.307 11 I C -0.461 175.658 176.117 0.003 0.000 1.053 11 I CA -1.504 59.801 61.300 0.008 0.000 1.050 11 I CB 2.982 40.989 38.000 0.011 0.000 1.239 11 I HN -0.181 8.033 8.210 0.006 0.000 0.439 12 K N 4.887 125.289 120.400 0.002 0.000 2.183 12 K HA 0.375 4.692 4.320 -0.004 0.000 0.274 12 K C -0.961 175.637 176.600 -0.004 0.000 1.009 12 K CA -0.520 55.765 56.287 -0.002 0.000 0.888 12 K CB 0.155 32.654 32.500 -0.002 0.000 1.078 12 K HN 0.033 8.286 8.250 0.005 0.000 0.459 13 L N 1.066 122.284 121.223 -0.009 0.000 2.408 13 L HA 0.418 4.755 4.340 -0.006 0.000 0.268 13 L C -0.262 176.594 176.870 -0.024 0.000 0.986 13 L CA -0.336 54.497 54.840 -0.011 0.000 0.820 13 L CB 1.932 43.986 42.059 -0.009 0.000 1.303 13 L HN 0.063 8.286 8.230 -0.011 0.000 0.411 14 G N 1.904 110.689 108.800 -0.025 0.000 2.428 14 G HA2 0.205 4.111 3.960 -0.090 0.000 0.320 14 G HA3 0.205 4.138 3.960 -0.046 0.000 0.320 14 G C -0.530 174.327 174.900 -0.071 0.000 1.098 14 G CA -0.533 44.530 45.100 -0.061 0.000 0.984 14 G HN 0.063 8.348 8.290 -0.009 0.000 0.444 15 V N 3.626 123.466 119.914 -0.122 0.000 2.612 15 V HA 0.133 4.246 4.120 -0.012 0.000 0.301 15 V C -0.510 175.462 176.094 -0.203 0.000 1.046 15 V CA -0.912 61.341 62.300 -0.077 0.000 0.946 15 V CB 1.370 33.185 31.823 -0.013 0.000 1.003 15 V HN 0.071 8.177 8.190 -0.139 0.000 0.459 16 Y N 3.124 123.426 120.300 0.003 0.000 2.338 16 Y HA 0.222 4.787 4.550 0.024 0.000 0.333 16 Y C -0.936 174.941 175.900 -0.038 0.000 0.968 16 Y CA -0.187 57.910 58.100 -0.004 0.000 1.123 16 Y CB 1.128 39.573 38.460 -0.024 0.000 1.165 16 Y HN 0.099 8.447 8.280 0.113 0.000 0.452 17 I N 0.987 121.653 120.570 0.161 0.000 3.002 17 I HA 0.566 4.649 4.170 -0.144 0.000 0.310 17 I C -2.458 173.715 176.117 0.093 0.000 1.087 17 I CA -3.721 57.602 61.300 0.038 0.000 1.017 17 I CB 1.173 39.297 38.000 0.206 0.000 1.226 17 I HN -0.158 8.174 8.210 0.203 0.000 0.443 18 P HA -0.022 4.419 4.420 0.036 0.000 0.269 18 P C -0.097 177.319 177.300 0.194 0.000 1.217 18 P CA -0.581 62.559 63.100 0.067 0.000 0.783 18 P CB 0.828 32.533 31.700 0.008 0.000 0.898 19 Q N 2.363 122.246 119.800 0.138 0.000 2.020 19 Q HA -0.426 3.997 4.340 0.139 0.000 0.202 19 Q C 1.717 177.832 176.000 0.192 0.000 0.982 19 Q CA 3.830 59.717 55.803 0.140 0.000 0.838 19 Q CB -0.438 28.347 28.738 0.079 0.000 0.899 19 Q HN 0.528 8.853 8.270 0.091 0.000 0.423 20 E N -2.435 117.871 120.200 0.176 0.000 2.333 20 E HA -0.249 4.181 4.350 0.133 0.000 0.198 20 E C 2.219 178.964 176.600 0.243 0.000 1.007 20 E CA 2.672 59.177 56.400 0.175 0.000 0.845 20 E CB -1.052 28.736 29.700 0.147 0.000 0.766 20 E HN 0.632 9.079 8.360 0.145 0.000 0.507 21 W N 0.824 122.164 121.300 0.066 0.000 2.488 21 W HA -0.138 4.543 4.660 0.035 0.000 0.304 21 W C 1.981 178.539 176.519 0.065 0.000 1.175 21 W CA 4.242 61.621 57.345 0.056 0.000 1.365 21 W CB 0.095 29.589 29.460 0.057 0.000 1.131 21 W HN -0.887 7.361 8.180 0.415 0.182 0.520 22 H N 0.201 119.425 119.070 0.257 0.000 2.387 22 H HA -0.434 4.186 4.556 0.107 0.000 0.299 22 H C 2.322 177.679 175.328 0.048 0.000 1.099 22 H CA 4.350 60.473 56.048 0.125 0.000 1.315 22 H CB 0.168 30.002 29.762 0.120 0.000 1.380 22 H HN -0.090 8.490 8.280 0.499 0.000 0.513 23 D N -1.336 119.187 120.400 0.205 0.000 2.078 23 D HA -0.292 4.441 4.640 0.156 0.000 0.193 23 D C 2.412 178.720 176.300 0.013 0.000 0.990 23 D CA 3.874 57.945 54.000 0.118 0.000 0.827 23 D CB 0.224 41.091 40.800 0.111 0.000 0.975 23 D HN 0.181 8.684 8.370 0.252 0.019 0.451 24 R N -1.089 119.401 120.500 -0.017 0.000 2.115 24 R HA -0.123 4.190 4.340 -0.045 0.000 0.226 24 R C 2.709 178.927 176.300 -0.135 0.000 1.100 24 R CA 1.563 57.621 56.100 -0.069 0.000 0.980 24 R CB -0.402 29.852 30.300 -0.078 0.000 0.875 24 R HN -0.610 7.669 8.270 0.015 0.000 0.445 25 L N 0.727 121.828 121.223 -0.203 0.000 2.017 25 L HA -0.211 3.972 4.340 -0.261 0.000 0.208 25 L C 2.446 179.194 176.870 -0.203 0.000 1.073 25 L CA 3.145 57.830 54.840 -0.258 0.000 0.745 25 L CB -0.862 40.988 42.059 -0.349 0.000 0.894 25 L HN 0.201 8.316 8.230 -0.191 0.000 0.432 26 M N -3.112 116.361 119.600 -0.213 0.000 2.296 26 M HA -0.317 4.053 4.480 -0.183 0.000 0.265 26 M C 2.552 178.793 176.300 -0.099 0.000 1.064 26 M CA 1.392 56.587 55.300 -0.176 0.000 1.109 26 M CB -1.490 30.990 32.600 -0.199 0.000 1.396 26 M HN -0.231 7.920 8.290 -0.232 0.000 0.430 27 E N 1.025 121.178 120.200 -0.079 0.000 2.031 27 E HA -0.242 4.085 4.350 -0.038 0.000 0.193 27 E C 2.520 179.084 176.600 -0.059 0.000 0.994 27 E CA 3.007 59.375 56.400 -0.052 0.000 0.800 27 E CB -0.424 29.252 29.700 -0.040 0.000 0.752 27 E HN -0.621 7.575 8.360 -0.086 0.113 0.447 28 I N -0.808 119.716 120.570 -0.077 0.000 2.361 28 I HA -0.464 3.671 4.170 -0.059 0.000 0.251 28 I C 1.864 177.937 176.117 -0.072 0.000 1.133 28 I CA 3.397 64.652 61.300 -0.074 0.000 1.413 28 I CB -0.299 37.645 38.000 -0.093 0.000 1.073 28 I HN -0.332 7.823 8.210 -0.092 0.000 0.424 29 A N -1.760 121.007 122.820 -0.087 0.000 2.019 29 A HA -0.342 3.933 4.320 -0.075 0.000 0.219 29 A C 1.486 179.036 177.584 -0.057 0.000 1.164 29 A CA 3.270 55.260 52.037 -0.079 0.000 0.644 29 A CB -0.850 18.089 19.000 -0.101 0.000 0.805 29 A HN 0.360 8.245 8.150 -0.104 0.202 0.449 30 K N -2.689 117.682 120.400 -0.050 0.000 2.116 30 K HA -0.172 4.129 4.320 -0.032 0.000 0.203 30 K C 2.081 178.663 176.600 -0.030 0.000 1.052 30 K CA 2.014 58.281 56.287 -0.034 0.000 0.952 30 K CB -0.295 32.189 32.500 -0.028 0.000 0.729 30 K HN -0.457 7.605 8.250 -0.055 0.154 0.446 31 E N -0.804 119.376 120.200 -0.033 0.000 2.153 31 E HA -0.217 4.119 4.350 -0.023 0.000 0.194 31 E C 1.657 178.240 176.600 -0.028 0.000 0.988 31 E CA 2.381 58.764 56.400 -0.029 0.000 0.811 31 E CB 0.083 29.764 29.700 -0.031 0.000 0.746 31 E HN -0.726 7.533 8.360 -0.039 0.078 0.466 32 K N -4.091 116.288 120.400 -0.034 0.000 2.374 32 K HA 0.036 4.339 4.320 -0.027 0.000 0.196 32 K C -0.637 175.947 176.600 -0.028 0.000 1.023 32 K CA -1.187 55.081 56.287 -0.032 0.000 1.103 32 K CB 0.216 32.693 32.500 -0.038 0.000 0.848 32 K HN -0.545 7.555 8.250 -0.040 0.126 0.528 33 N N -2.716 115.967 118.700 -0.028 0.000 2.754 33 N HA -0.414 4.312 4.740 -0.023 0.000 0.248 33 N C -1.552 173.942 175.510 -0.026 0.000 1.093 33 N CA 1.512 54.548 53.050 -0.024 0.000 0.699 33 N CB -1.136 37.340 38.487 -0.019 0.000 1.016 33 N HN -0.288 7.889 8.380 -0.030 0.185 0.552 34 L N -4.272 116.930 121.223 -0.035 0.000 2.303 34 L HA 0.347 4.669 4.340 -0.031 0.000 0.256 34 L C -1.564 175.277 176.870 -0.048 0.000 1.034 34 L CA -1.721 53.096 54.840 -0.038 0.000 0.832 34 L CB 3.728 45.763 42.059 -0.041 0.000 1.403 34 L HN 0.014 8.101 8.230 -0.039 0.119 0.419 35 T N -3.760 110.765 114.554 -0.049 0.000 2.944 35 T HA 0.450 4.756 4.350 -0.073 0.000 0.284 35 T C 1.631 176.281 174.700 -0.085 0.000 1.010 35 T CA -2.345 59.717 62.100 -0.063 0.000 1.025 35 T CB 2.812 71.654 68.868 -0.043 0.000 1.079 35 T HN 0.466 9.123 8.240 -0.041 -0.442 0.516 36 L N -1.851 119.296 121.223 -0.126 0.000 2.127 36 L HA -0.190 4.060 4.340 -0.150 0.000 0.211 36 L C 1.216 178.038 176.870 -0.081 0.000 1.089 36 L CA 3.756 58.511 54.840 -0.143 0.000 0.757 36 L CB -0.746 41.177 42.059 -0.225 0.000 0.899 36 L HN -0.227 7.913 8.230 -0.150 0.000 0.434 37 S N 0.407 116.075 115.700 -0.053 0.000 2.370 37 S HA -0.420 4.042 4.470 -0.014 0.000 0.226 37 S C 1.747 176.331 174.600 -0.028 0.000 1.033 37 S CA 4.075 62.259 58.200 -0.026 0.000 1.011 37 S CB -0.808 62.381 63.200 -0.018 0.000 0.852 37 S HN 0.172 8.430 8.310 -0.058 0.018 0.457 38 D N 1.921 122.300 120.400 -0.035 0.000 2.117 38 D HA -0.157 4.470 4.640 -0.022 0.000 0.198 38 D C 2.266 178.545 176.300 -0.035 0.000 0.982 38 D CA 3.175 57.156 54.000 -0.031 0.000 0.828 38 D CB -0.216 40.565 40.800 -0.032 0.000 0.967 38 D HN -0.501 7.734 8.370 -0.042 0.110 0.464 39 V N 0.498 120.380 119.914 -0.054 0.000 2.427 39 V HA -0.380 3.707 4.120 -0.054 0.000 0.248 39 V C 2.143 178.206 176.094 -0.052 0.000 1.051 39 V CA 4.008 66.269 62.300 -0.065 0.000 1.048 39 V CB -0.347 31.412 31.823 -0.107 0.000 0.666 39 V HN -0.372 7.700 8.190 -0.064 0.080 0.456 40 C N -0.627 118.649 119.300 -0.040 0.000 2.462 40 C HA -0.363 4.093 4.460 -0.006 0.000 0.278 40 C C 1.549 176.536 174.990 -0.005 0.000 1.253 40 C CA 3.164 62.177 59.018 -0.008 0.000 1.713 40 C CB -1.090 26.662 27.740 0.021 0.000 2.049 40 C HN 0.265 8.375 8.230 -0.045 0.094 0.477 41 R N 0.163 120.659 120.500 -0.008 0.000 2.113 41 R HA -0.331 4.007 4.340 -0.003 0.000 0.244 41 R C 2.719 179.020 176.300 0.002 0.000 1.142 41 R CA 3.259 59.356 56.100 -0.004 0.000 0.953 41 R CB -0.548 29.749 30.300 -0.006 0.000 0.860 41 R HN -0.508 7.755 8.270 -0.010 0.000 0.438 42 L N -3.025 118.195 121.223 -0.003 0.000 2.201 42 L HA -0.231 4.114 4.340 0.009 0.000 0.212 42 L C 1.802 178.683 176.870 0.018 0.000 1.105 42 L CA 2.360 57.202 54.840 0.003 0.000 0.775 42 L CB -0.614 41.439 42.059 -0.010 0.000 0.913 42 L HN 0.218 8.260 8.230 -0.013 0.180 0.440 43 A N 0.243 123.071 122.820 0.014 0.000 1.872 43 A HA -0.241 4.104 4.320 0.042 0.000 0.214 43 A C 1.984 179.614 177.584 0.076 0.000 1.187 43 A CA 3.188 55.247 52.037 0.036 0.000 0.614 43 A CB -0.812 18.200 19.000 0.019 0.000 0.826 43 A HN -0.131 7.850 8.150 0.000 0.169 0.442 44 I N -4.640 115.954 120.570 0.040 0.000 2.493 44 I HA -0.457 3.763 4.170 0.084 0.000 0.254 44 I C 1.640 177.831 176.117 0.124 0.000 1.160 44 I CA 2.938 64.272 61.300 0.058 0.000 1.445 44 I CB -0.789 37.196 38.000 -0.025 0.000 1.086 44 I HN -0.399 7.818 8.210 0.013 0.000 0.433 45 K N 1.014 121.460 120.400 0.077 0.000 2.032 45 K HA -0.406 3.954 4.320 0.067 0.000 0.209 45 K C 1.811 178.461 176.600 0.084 0.000 1.048 45 K CA 3.144 59.472 56.287 0.068 0.000 0.927 45 K CB -0.736 31.788 32.500 0.040 0.000 0.712 45 K HN -0.409 7.854 8.250 0.052 0.018 0.441 46 E N -1.256 118.997 120.200 0.089 0.000 2.208 46 E HA -0.259 4.128 4.350 0.062 0.000 0.193 46 E C 2.134 178.809 176.600 0.125 0.000 0.988 46 E CA 2.281 58.732 56.400 0.086 0.000 0.828 46 E CB 0.077 29.819 29.700 0.070 0.000 0.763 46 E HN -0.675 7.735 8.360 0.083 0.000 0.478 47 Y N 1.082 121.398 120.300 0.028 0.000 2.181 47 Y HA -0.412 4.181 4.550 0.072 0.000 0.288 47 Y C 1.657 177.575 175.900 0.030 0.000 1.146 47 Y CA 3.943 62.049 58.100 0.011 0.000 1.164 47 Y CB 0.058 38.474 38.460 -0.073 0.000 0.982 47 Y HN -0.073 8.137 8.280 0.241 0.215 0.515 48 L N -1.619 119.693 121.223 0.148 0.000 2.005 48 L HA -0.518 3.854 4.340 0.054 0.000 0.207 48 L C 2.114 179.003 176.870 0.031 0.000 1.072 48 L CA 3.314 58.201 54.840 0.078 0.000 0.744 48 L CB -0.629 41.490 42.059 0.101 0.000 0.895 48 L HN 0.361 8.621 8.230 0.221 0.102 0.433 49 D N -2.759 117.665 120.400 0.041 0.000 2.218 49 D HA -0.267 4.476 4.640 0.020 -0.091 0.204 49 D C 2.240 178.546 176.300 0.010 0.000 0.976 49 D CA 3.766 57.780 54.000 0.024 0.000 0.853 49 D CB -0.173 40.644 40.800 0.027 0.000 0.939 49 D HN -0.358 8.048 8.370 0.059 0.000 0.481 50 N N -2.045 116.663 118.700 0.014 0.000 2.251 50 N HA -0.138 4.590 4.740 -0.019 0.000 0.181 50 N C 0.828 176.303 175.510 -0.057 0.000 1.019 50 N CA 1.923 54.970 53.050 -0.004 0.000 0.862 50 N CB 0.498 39.012 38.487 0.044 0.000 0.992 50 N HN -0.239 8.028 8.380 0.028 0.129 0.429 51 H N -3.511 115.417 119.070 -0.238 0.000 2.551 51 H HA 0.069 4.502 4.556 -0.206 0.000 0.266 51 H C -0.535 174.710 175.328 -0.138 0.000 0.964 51 H CA 1.464 57.361 56.048 -0.252 0.000 1.180 51 H CB 1.633 31.108 29.762 -0.478 0.000 1.408 51 H HN -0.203 8.086 8.280 0.016 0.000 0.563 52 D N -1.278 119.127 120.400 0.008 0.000 2.896 52 D HA 0.112 4.749 4.640 -0.005 0.000 0.241 52 D C -1.130 175.168 176.300 -0.002 0.000 1.188 52 D CA -0.532 53.471 54.000 0.004 0.000 0.879 52 D CB 2.110 42.922 40.800 0.020 0.000 1.553 52 D HN -0.187 8.154 8.370 0.007 0.033 0.515 53 K N 3.489 123.884 120.400 -0.008 0.000 2.358 53 K HA 0.169 4.485 4.320 -0.006 0.000 0.197 53 K C -0.018 176.581 176.600 -0.001 0.000 1.025 53 K CA 0.163 56.446 56.287 -0.007 0.000 1.104 53 K CB -0.432 32.059 32.500 -0.014 0.000 0.855 53 K HN 0.332 8.577 8.250 -0.010 0.000 0.531 54 Q N -0.868 118.933 119.800 0.003 0.000 2.089 54 Q HA -0.048 4.294 4.340 0.003 0.000 0.195 54 Q C -0.292 175.714 176.000 0.009 0.000 0.963 54 Q CA 0.866 56.672 55.803 0.005 0.000 0.834 54 Q CB 0.715 29.458 28.738 0.007 0.000 0.906 54 Q HN -0.840 7.534 8.270 0.003 -0.101 0.452 55 K N -3.048 117.359 120.400 0.013 0.000 4.361 55 K HA -0.369 3.963 4.320 0.021 0.000 0.294 55 K C -0.947 175.662 176.600 0.015 0.000 0.970 55 K CA 0.748 57.045 56.287 0.016 0.000 0.913 55 K CB -2.364 30.144 32.500 0.014 0.000 1.583 55 K HN 0.273 8.993 8.250 0.014 -0.462 0.438 56 K N 0.000 120.410 120.400 0.017 0.000 2.780 56 K HA 0.000 4.328 4.320 0.013 0.000 0.191 56 K CA 0.000 56.296 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 8.262 8.250 0.019 0.000 0.543