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 1oco_1_W DATA FIRST_RESID 1 DATA SEQUENCE FENRVAEKQK LFQEDNGLPV HLKGGATDNI LYRVTMTLCL GGTLYSLYCL DATA SEQUENCE GWASFP 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 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.804 175.800 0.007 0.000 0.967 1 F CA 0.000 58.004 58.000 0.006 0.000 1.383 1 F CB 0.000 39.004 39.000 0.007 0.000 1.145 2 E N 1.288 121.551 120.200 0.105 0.000 1.937 2 E HA -0.078 4.272 4.350 0.000 0.000 0.210 2 E C -0.041 176.612 176.600 0.088 0.000 0.961 2 E CA 1.253 57.684 56.400 0.052 0.000 0.883 2 E CB -0.153 29.563 29.700 0.026 0.000 0.819 2 E HN 0.522 nan 8.360 nan 0.000 0.560 3 N N 0.390 119.152 118.700 0.105 0.000 3.246 3 N HA -0.134 4.606 4.740 0.000 0.000 0.254 3 N C -1.094 174.450 175.510 0.056 0.000 1.080 3 N CA 0.853 53.951 53.050 0.079 0.000 0.670 3 N CB -1.014 37.512 38.487 0.064 0.000 1.082 3 N HN 0.569 nan 8.380 nan 0.000 0.581 4 R N -0.620 119.915 120.500 0.058 0.000 2.831 4 R HA 0.350 4.690 4.340 0.000 0.000 0.337 4 R C 1.342 177.676 176.300 0.056 0.000 1.200 4 R CA -0.013 56.114 56.100 0.046 0.000 1.088 4 R CB 0.122 30.443 30.300 0.036 0.000 1.397 4 R HN 0.084 nan 8.270 nan 0.000 0.581 5 V N 0.436 120.385 119.914 0.058 0.000 2.594 5 V HA -0.184 3.936 4.120 0.000 0.000 0.253 5 V C 2.093 178.226 176.094 0.065 0.000 1.069 5 V CA 2.229 64.568 62.300 0.063 0.000 1.082 5 V CB -0.083 31.771 31.823 0.051 0.000 0.680 5 V HN 0.580 nan 8.190 nan 0.000 0.469 6 A N -0.339 122.510 122.820 0.049 0.000 1.930 6 A HA -0.191 4.129 4.320 0.000 0.000 0.217 6 A C 2.024 179.634 177.584 0.043 0.000 1.175 6 A CA 1.705 53.768 52.037 0.043 0.000 0.627 6 A CB -0.557 18.461 19.000 0.030 0.000 0.815 6 A HN 0.694 nan 8.150 nan 0.000 0.443 7 E N 0.093 120.316 120.200 0.038 0.000 2.058 7 E HA -0.216 4.134 4.350 0.000 0.000 0.194 7 E C 1.909 178.530 176.600 0.036 0.000 0.997 7 E CA 1.368 57.783 56.400 0.025 0.000 0.801 7 E CB -0.131 29.581 29.700 0.020 0.000 0.746 7 E HN 0.413 nan 8.360 nan 0.000 0.450 8 K N 0.982 121.436 120.400 0.089 0.000 2.057 8 K HA -0.144 4.176 4.320 0.000 0.000 0.206 8 K C 2.107 178.860 176.600 0.255 0.000 1.050 8 K CA 1.051 57.453 56.287 0.192 0.000 0.935 8 K CB -0.434 32.222 32.500 0.259 0.000 0.715 8 K HN 0.233 nan 8.250 nan 0.000 0.439 9 Q N 0.952 120.852 119.800 0.167 0.000 2.045 9 Q HA -0.133 4.207 4.340 0.000 0.000 0.206 9 Q C 2.198 178.263 176.000 0.108 0.000 0.991 9 Q CA 1.481 57.371 55.803 0.145 0.000 0.851 9 Q CB 0.005 28.793 28.738 0.083 0.000 0.911 9 Q HN 0.196 nan 8.270 nan 0.000 0.418 10 K N 0.605 121.035 120.400 0.050 0.000 2.026 10 K HA -0.153 4.167 4.320 0.000 0.000 0.208 10 K C 2.160 178.738 176.600 -0.038 0.000 1.048 10 K CA 0.851 57.143 56.287 0.008 0.000 0.929 10 K CB -0.486 32.010 32.500 -0.007 0.000 0.713 10 K HN 0.262 nan 8.250 nan 0.000 0.439 11 L N 0.178 121.340 121.223 -0.102 0.000 2.013 11 L HA -0.202 4.138 4.340 0.000 0.000 0.212 11 L C 2.006 178.651 176.870 -0.375 0.000 1.073 11 L CA 1.655 56.322 54.840 -0.289 0.000 0.753 11 L CB -0.213 41.571 42.059 -0.460 0.000 0.890 11 L HN 0.043 nan 8.230 nan 0.000 0.432 12 F N -0.575 119.372 119.950 -0.005 0.000 2.780 12 F HA -0.019 4.508 4.527 0.000 0.000 0.299 12 F C 2.261 178.056 175.800 -0.008 0.000 1.146 12 F CA 0.531 58.526 58.000 -0.007 0.000 1.428 12 F CB -0.133 38.865 39.000 -0.003 0.000 1.115 12 F HN 0.193 nan 8.300 nan 0.000 0.583 13 Q N -0.109 119.754 119.800 0.104 0.000 2.282 13 Q HA 0.016 4.356 4.340 0.000 0.000 0.206 13 Q C 0.482 176.496 176.000 0.022 0.000 0.878 13 Q CA -0.153 55.690 55.803 0.066 0.000 0.944 13 Q CB 0.316 29.088 28.738 0.056 0.000 1.100 13 Q HN 0.353 nan 8.270 nan 0.000 0.509 14 E N 1.751 121.945 120.200 -0.010 0.000 2.415 14 E HA -0.108 4.242 4.350 0.000 0.000 0.263 14 E C -0.517 176.072 176.600 -0.018 0.000 0.995 14 E CA -0.114 56.269 56.400 -0.029 0.000 0.915 14 E CB 0.508 30.169 29.700 -0.066 0.000 0.951 14 E HN -0.060 nan 8.360 nan 0.000 0.449 15 D N 3.705 124.096 120.400 -0.014 0.000 2.885 15 D HA -0.025 4.615 4.640 0.000 0.000 0.234 15 D C 0.015 176.304 176.300 -0.017 0.000 1.129 15 D CA -0.017 53.977 54.000 -0.010 0.000 0.991 15 D CB -0.581 40.215 40.800 -0.007 0.000 1.137 15 D HN 0.417 nan 8.370 nan 0.000 0.459 16 N N -0.317 118.369 118.700 -0.024 0.000 2.313 16 N HA 0.100 4.840 4.740 0.000 0.000 0.207 16 N C 1.412 176.906 175.510 -0.026 0.000 1.141 16 N CA 0.182 53.214 53.050 -0.029 0.000 0.830 16 N CB 0.140 38.602 38.487 -0.043 0.000 1.008 16 N HN 0.111 nan 8.380 nan 0.000 0.481 17 G N -0.126 108.663 108.800 -0.019 0.000 2.200 17 G HA2 -0.313 3.647 3.960 0.000 0.000 0.267 17 G HA3 -0.313 3.647 3.960 0.000 0.000 0.267 17 G C -0.215 174.668 174.900 -0.028 0.000 0.993 17 G CA 0.633 45.723 45.100 -0.018 0.000 0.701 17 G HN 0.415 nan 8.290 nan 0.000 0.524 18 L N 1.348 122.548 121.223 -0.037 0.000 2.399 18 L HA 0.484 4.824 4.340 0.000 0.000 0.266 18 L C -1.174 175.657 176.870 -0.065 0.000 1.114 18 L CA -2.062 52.739 54.840 -0.066 0.000 0.804 18 L CB 1.040 43.054 42.059 -0.076 0.000 1.146 18 L HN 0.001 nan 8.230 nan 0.000 0.451 19 P HA 0.026 nan 4.420 nan 0.000 0.282 19 P C 0.690 177.932 177.300 -0.096 0.000 1.249 19 P CA -0.372 62.671 63.100 -0.094 0.000 0.806 19 P CB 1.879 33.498 31.700 -0.134 0.000 0.984 20 V N 2.747 122.675 119.914 0.022 0.000 2.439 20 V HA -0.269 3.851 4.120 0.000 0.000 0.253 20 V C 2.323 178.458 176.094 0.069 0.000 1.074 20 V CA 2.472 64.809 62.300 0.063 0.000 1.076 20 V CB -1.538 30.312 31.823 0.046 0.000 0.664 20 V HN 0.732 nan 8.190 nan 0.000 0.461 21 H N -1.419 117.640 119.070 -0.017 0.000 2.563 21 H HA 0.039 4.595 4.556 0.000 0.000 0.272 21 H C 1.605 176.918 175.328 -0.024 0.000 1.005 21 H CA 1.326 57.354 56.048 -0.033 0.000 1.171 21 H CB -0.092 29.617 29.762 -0.088 0.000 1.351 21 H HN 0.512 nan 8.280 nan 0.000 0.602 22 L N -0.490 120.563 121.223 -0.284 0.000 2.766 22 L HA 0.106 4.446 4.340 0.000 0.000 0.241 22 L C 2.259 179.097 176.870 -0.053 0.000 1.080 22 L CA -0.202 54.516 54.840 -0.203 0.000 0.909 22 L CB 0.061 41.909 42.059 -0.352 0.000 1.277 22 L HN -0.103 nan 8.230 nan 0.000 0.510 23 K N 1.244 121.641 120.400 -0.004 0.000 2.207 23 K HA -0.213 4.107 4.320 0.000 0.000 0.208 23 K C 1.806 178.412 176.600 0.009 0.000 1.046 23 K CA 1.720 58.042 56.287 0.059 0.000 0.929 23 K CB -0.459 32.190 32.500 0.249 0.000 0.720 23 K HN 0.438 nan 8.250 nan 0.000 0.463 24 G N -0.544 108.375 108.800 0.199 0.000 2.511 24 G HA2 0.156 4.116 3.960 0.000 0.000 0.217 24 G HA3 0.156 4.116 3.960 0.000 0.000 0.217 24 G C 0.645 175.538 174.900 -0.010 0.000 1.133 24 G CA 0.861 46.040 45.100 0.132 0.000 0.792 24 G HN 0.616 nan 8.290 nan 0.000 0.539 25 G N -1.905 106.892 108.800 -0.005 0.000 2.339 25 G HA2 0.450 4.410 3.960 0.000 0.000 0.275 25 G HA3 0.450 4.410 3.960 0.000 0.000 0.275 25 G C 0.645 175.549 174.900 0.006 0.000 1.323 25 G CA 0.198 45.289 45.100 -0.015 0.000 0.927 25 G HN 0.767 nan 8.290 nan 0.000 0.486 26 A N -1.001 121.824 122.820 0.009 0.000 1.930 26 A HA 0.222 4.542 4.320 0.000 0.000 0.215 26 A C 2.537 180.144 177.584 0.039 0.000 1.176 26 A CA 3.032 55.081 52.037 0.020 0.000 0.632 26 A CB -1.155 17.853 19.000 0.013 0.000 0.819 26 A HN 1.749 nan 8.150 nan 0.000 0.445 27 T N -0.896 113.683 114.554 0.042 0.000 2.833 27 T HA -0.155 4.195 4.350 0.000 0.000 0.269 27 T C 1.287 176.034 174.700 0.077 0.000 1.054 27 T CA 1.474 63.606 62.100 0.054 0.000 1.135 27 T CB -0.504 68.395 68.868 0.051 0.000 0.869 27 T HN 0.359 nan 8.240 nan 0.000 0.466 28 D N 1.479 121.927 120.400 0.082 0.000 2.133 28 D HA -0.100 4.540 4.640 0.000 0.000 0.195 28 D C 2.135 178.523 176.300 0.147 0.000 0.997 28 D CA 1.130 55.194 54.000 0.106 0.000 0.840 28 D CB -0.576 40.273 40.800 0.081 0.000 0.947 28 D HN 0.416 nan 8.370 nan 0.000 0.452 29 N N 0.235 119.008 118.700 0.122 0.000 2.106 29 N HA -0.092 4.648 4.740 0.000 0.000 0.188 29 N C 1.921 177.539 175.510 0.181 0.000 1.029 29 N CA 1.185 54.342 53.050 0.178 0.000 0.848 29 N CB -0.141 38.415 38.487 0.115 0.000 1.007 29 N HN 0.357 nan 8.380 nan 0.000 0.423 30 I N -1.646 118.989 120.570 0.109 0.000 2.179 30 I HA -0.200 3.970 4.170 0.000 0.000 0.242 30 I C 2.046 178.211 176.117 0.079 0.000 1.088 30 I CA 1.245 62.590 61.300 0.075 0.000 1.357 30 I CB -0.638 37.391 38.000 0.049 0.000 1.051 30 I HN 0.108 nan 8.210 nan 0.000 0.409 31 L N -0.091 121.193 121.223 0.102 0.000 2.012 31 L HA -0.262 4.078 4.340 0.000 0.000 0.210 31 L C 2.908 179.856 176.870 0.131 0.000 1.073 31 L CA 2.042 56.943 54.840 0.101 0.000 0.748 31 L CB -0.681 41.445 42.059 0.111 0.000 0.891 31 L HN 0.402 nan 8.230 nan 0.000 0.431 32 Y N 0.998 121.334 120.300 0.059 0.000 2.145 32 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 32 Y C 2.661 178.590 175.900 0.049 0.000 1.145 32 Y CA 1.548 59.690 58.100 0.069 0.000 1.148 32 Y CB -0.304 38.228 38.460 0.119 0.000 0.981 32 Y HN 0.041 nan 8.280 nan 0.000 0.507 33 R N -0.716 119.681 120.500 -0.173 0.000 2.115 33 R HA -0.078 4.262 4.340 0.000 0.000 0.230 33 R C 2.177 178.376 176.300 -0.169 0.000 1.111 33 R CA 1.297 57.239 56.100 -0.263 0.000 0.976 33 R CB -0.521 29.728 30.300 -0.085 0.000 0.870 33 R HN 0.284 nan 8.270 nan 0.000 0.445 34 V N 0.599 120.465 119.914 -0.080 0.000 2.283 34 V HA -0.219 3.901 4.120 0.000 0.000 0.243 34 V C 2.179 178.238 176.094 -0.060 0.000 1.039 34 V CA 2.179 64.450 62.300 -0.049 0.000 1.016 34 V CB -0.596 31.221 31.823 -0.010 0.000 0.650 34 V HN 0.340 nan 8.190 nan 0.000 0.449 35 T N 0.081 114.605 114.554 -0.049 0.000 2.635 35 T HA -0.266 4.084 4.350 0.000 0.000 0.267 35 T C 1.992 176.648 174.700 -0.074 0.000 1.040 35 T CA 1.864 63.943 62.100 -0.035 0.000 1.156 35 T CB -0.347 68.529 68.868 0.012 0.000 0.863 35 T HN 0.151 nan 8.240 nan 0.000 0.430 36 M N 1.066 120.563 119.600 -0.172 0.000 2.108 36 M HA -0.101 4.379 4.480 0.000 0.000 0.261 36 M C 2.535 178.767 176.300 -0.114 0.000 1.066 36 M CA 1.580 56.771 55.300 -0.182 0.000 1.107 36 M CB -1.687 30.686 32.600 -0.377 0.000 1.356 36 M HN 0.277 nan 8.290 nan 0.000 0.406 37 T N 1.316 115.802 114.554 -0.113 0.000 2.708 37 T HA -0.083 4.267 4.350 0.000 0.000 0.266 37 T C 1.995 176.672 174.700 -0.038 0.000 1.037 37 T CA 1.107 63.166 62.100 -0.069 0.000 1.146 37 T CB -0.272 68.557 68.868 -0.066 0.000 0.865 37 T HN 0.314 nan 8.240 nan 0.000 0.435 38 L N 0.401 121.605 121.223 -0.031 0.000 2.083 38 L HA -0.108 4.232 4.340 0.000 0.000 0.209 38 L C 2.910 179.782 176.870 0.004 0.000 1.083 38 L CA 0.877 55.711 54.840 -0.009 0.000 0.752 38 L CB -0.728 41.329 42.059 -0.004 0.000 0.899 38 L HN 0.390 nan 8.230 nan 0.000 0.433 39 C N -0.133 119.164 119.300 -0.005 0.000 2.432 39 C HA -0.136 4.324 4.460 0.000 0.000 0.277 39 C C 2.742 177.741 174.990 0.015 0.000 1.249 39 C CA 0.481 59.503 59.018 0.007 0.000 1.725 39 C CB -0.818 26.922 27.740 -0.001 0.000 2.028 39 C HN 0.428 nan 8.230 nan 0.000 0.477 40 L N 0.933 122.157 121.223 0.002 0.000 2.017 40 L HA -0.028 4.312 4.340 0.000 0.000 0.208 40 L C 2.854 179.740 176.870 0.028 0.000 1.073 40 L CA 1.819 56.666 54.840 0.010 0.000 0.745 40 L CB -1.350 40.705 42.059 -0.006 0.000 0.894 40 L HN 0.506 nan 8.230 nan 0.000 0.432 41 G N -0.068 108.745 108.800 0.021 0.000 2.433 41 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 41 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 41 G C 1.613 176.564 174.900 0.085 0.000 1.186 41 G CA 0.754 45.874 45.100 0.034 0.000 0.779 41 G HN 0.466 nan 8.290 nan 0.000 0.543 42 G N 0.282 109.133 108.800 0.086 0.000 2.476 42 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 42 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 42 G C 1.856 176.831 174.900 0.126 0.000 1.164 42 G CA 1.858 47.038 45.100 0.133 0.000 0.768 42 G HN 0.397 nan 8.290 nan 0.000 0.560 43 T N 1.256 115.858 114.554 0.079 0.000 2.833 43 T HA -0.021 4.329 4.350 0.000 0.000 0.269 43 T C 2.404 177.157 174.700 0.088 0.000 1.054 43 T CA 0.915 63.054 62.100 0.064 0.000 1.135 43 T CB -0.142 68.752 68.868 0.044 0.000 0.869 43 T HN 0.171 nan 8.240 nan 0.000 0.466 44 L N -0.456 120.832 121.223 0.109 0.000 2.027 44 L HA -0.051 4.289 4.340 0.000 0.000 0.206 44 L C 2.424 179.432 176.870 0.229 0.000 1.074 44 L CA 1.307 56.228 54.840 0.135 0.000 0.745 44 L CB -0.625 41.496 42.059 0.103 0.000 0.898 44 L HN 0.204 nan 8.230 nan 0.000 0.433 45 Y N 1.516 121.862 120.300 0.077 0.000 2.128 45 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 45 Y C 2.973 178.965 175.900 0.154 0.000 1.154 45 Y CA 1.344 59.513 58.100 0.114 0.000 1.149 45 Y CB -0.818 37.680 38.460 0.063 0.000 0.976 45 Y HN 0.321 nan 8.280 nan 0.000 0.505 46 S N -0.091 115.605 115.700 -0.008 0.000 2.359 46 S HA -0.210 4.260 4.470 0.000 0.000 0.224 46 S C 2.066 176.649 174.600 -0.029 0.000 1.035 46 S CA 1.477 59.596 58.200 -0.134 0.000 1.018 46 S CB -1.122 62.039 63.200 -0.065 0.000 0.876 46 S HN 0.315 nan 8.310 nan 0.000 0.448 47 L N 0.767 122.027 121.223 0.060 0.000 2.043 47 L HA -0.032 4.308 4.340 0.000 0.000 0.212 47 L C 2.420 179.360 176.870 0.116 0.000 1.075 47 L CA 1.700 56.588 54.840 0.080 0.000 0.752 47 L CB -1.689 40.431 42.059 0.102 0.000 0.891 47 L HN 0.520 nan 8.230 nan 0.000 0.432 48 Y N -0.565 119.792 120.300 0.095 0.000 2.145 48 Y HA -0.298 4.252 4.550 0.000 0.000 0.286 48 Y C 2.681 178.679 175.900 0.163 0.000 1.145 48 Y CA 1.766 59.956 58.100 0.149 0.000 1.148 48 Y CB -0.706 37.883 38.460 0.215 0.000 0.981 48 Y HN 0.229 nan 8.280 nan 0.000 0.507 49 C N 0.597 119.815 119.300 -0.137 0.000 2.425 49 C HA -0.166 4.295 4.460 0.000 0.000 0.277 49 C C 2.855 177.826 174.990 -0.032 0.000 1.280 49 C CA 0.966 59.888 59.018 -0.161 0.000 1.744 49 C CB -1.601 26.008 27.740 -0.218 0.000 1.989 49 C HN 0.709 nan 8.230 nan 0.000 0.491 50 L N 1.603 122.800 121.223 -0.043 0.000 2.046 50 L HA -0.046 4.294 4.340 0.000 0.000 0.208 50 L C 2.407 179.260 176.870 -0.030 0.000 1.077 50 L CA 2.459 57.283 54.840 -0.028 0.000 0.747 50 L CB -1.424 40.618 42.059 -0.028 0.000 0.896 50 L HN 0.428 nan 8.230 nan 0.000 0.432 51 G N -0.744 108.050 108.800 -0.010 0.000 2.433 51 G HA2 -0.361 3.599 3.960 0.000 0.000 0.216 51 G HA3 -0.361 3.599 3.960 0.000 0.000 0.216 51 G C 1.303 176.269 174.900 0.110 0.000 1.186 51 G CA 0.671 45.812 45.100 0.069 0.000 0.779 51 G HN 0.621 nan 8.290 nan 0.000 0.543 52 W N 1.846 123.029 121.300 -0.194 0.000 2.338 52 W HA -0.016 4.644 4.660 0.000 0.000 0.304 52 W C 2.669 179.175 176.519 -0.022 0.000 1.212 52 W CA 2.400 59.651 57.345 -0.157 0.000 1.264 52 W CB -0.058 29.166 29.460 -0.394 0.000 1.142 52 W HN 0.240 nan 8.180 nan 0.000 0.512 53 A N -0.441 122.366 122.820 -0.022 0.000 2.067 53 A HA -0.069 4.251 4.320 0.000 0.000 0.217 53 A C 1.870 179.310 177.584 -0.240 0.000 1.156 53 A CA 1.458 53.403 52.037 -0.154 0.000 0.683 53 A CB -1.214 17.820 19.000 0.056 0.000 0.808 53 A HN 0.306 nan 8.150 nan 0.000 0.455 54 S N -1.231 114.317 115.700 -0.253 0.000 2.701 54 S HA 0.355 4.825 4.470 0.000 0.000 0.220 54 S C -0.178 173.957 174.600 -0.776 0.000 0.954 54 S CA -0.265 57.669 58.200 -0.444 0.000 0.936 54 S CB -0.655 62.273 63.200 -0.454 0.000 0.777 54 S HN 0.198 nan 8.310 nan 0.000 0.518 55 F N 2.440 122.234 119.950 -0.261 0.000 2.556 55 F HA 0.586 5.113 4.527 0.000 0.000 0.314 55 F C -1.857 173.767 175.800 -0.293 0.000 1.106 55 F CA -2.232 55.621 58.000 -0.244 0.000 0.911 55 F CB 1.015 39.867 39.000 -0.246 0.000 1.190 55 F HN -0.051 nan 8.300 nan 0.000 0.448 56 P HA 0.000 nan 4.420 nan 0.000 0.000 56 P CA 0.000 63.048 63.100 -0.086 0.000 0.000 56 P CB 0.000 31.674 31.700 -0.044 0.000 0.000