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 3ci7_1_B DATA FIRST_RESID 1 DATA SEQUENCE RPAFcLEPPY AGPGKARIIR YFYNAAAGAA QAFVYGGARA KRNNFASAAD DATA SEQUENCE ALAAcA 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.177 176.300 -0.205 0.000 0.893 1 R CA 0.000 55.999 56.100 -0.169 0.000 0.921 1 R CB 0.000 30.190 30.300 -0.184 0.000 0.687 2 P HA 0.101 nan 4.420 nan 0.000 0.265 2 P C 0.418 177.498 177.300 -0.367 0.000 1.187 2 P CA 0.385 63.226 63.100 -0.431 0.000 0.766 2 P CB 0.820 31.921 31.700 -0.999 0.000 0.820 3 A N 2.816 125.527 122.820 -0.181 0.000 2.024 3 A HA -0.195 4.117 4.320 -0.014 0.000 0.220 3 A C 1.700 179.280 177.584 -0.007 0.000 1.164 3 A CA 1.577 53.576 52.037 -0.063 0.000 0.643 3 A CB -1.361 17.641 19.000 0.003 0.000 0.806 3 A HN 0.707 nan 8.150 nan 0.000 0.451 4 F N -0.613 119.373 119.950 0.061 0.000 2.333 4 F HA -0.111 4.407 4.527 -0.015 0.000 0.300 4 F C 1.881 177.759 175.800 0.129 0.000 1.083 4 F CA 0.204 58.248 58.000 0.072 0.000 1.395 4 F CB -1.791 37.246 39.000 0.062 0.000 1.056 4 F HN 0.156 nan 8.300 nan 0.000 0.529 5 c N 1.313 119.893 118.600 -0.034 0.000 2.422 5 c HA -0.023 4.538 4.570 -0.014 0.000 0.286 5 c C 2.621 176.867 174.090 0.260 0.000 1.412 5 c CA 0.573 57.004 56.329 0.169 0.000 1.786 5 c CB -1.775 40.725 42.510 -0.016 0.000 1.835 5 c HN 0.594 nan 8.230 nan 0.000 0.533 6 L N 0.078 121.401 121.223 0.165 0.000 2.592 6 L HA 0.106 4.438 4.340 -0.014 0.000 0.227 6 L C 0.855 177.802 176.870 0.128 0.000 1.127 6 L CA 0.311 55.235 54.840 0.141 0.000 0.884 6 L CB -0.332 41.776 42.059 0.081 0.000 1.065 6 L HN 0.410 nan 8.230 nan 0.000 0.457 7 E N 2.034 122.324 120.200 0.151 0.000 2.398 7 E HA 0.091 4.433 4.350 -0.014 0.000 0.263 7 E C -2.052 174.555 176.600 0.012 0.000 1.046 7 E CA -1.729 54.715 56.400 0.073 0.000 0.908 7 E CB 0.327 30.071 29.700 0.072 0.000 0.963 7 E HN -0.010 nan 8.360 nan 0.000 0.431 8 P HA 0.118 nan 4.420 nan 0.000 0.274 8 P C -2.538 174.474 177.300 -0.479 0.000 1.237 8 P CA -1.420 61.505 63.100 -0.291 0.000 0.793 8 P CB -0.088 31.494 31.700 -0.196 0.000 0.977 9 P HA 0.042 nan 4.420 nan 0.000 0.269 9 P C -1.181 175.768 177.300 -0.585 0.000 1.209 9 P CA 0.314 62.692 63.100 -1.204 0.000 0.776 9 P CB 0.181 30.692 31.700 -1.981 0.000 0.876 10 Y N 1.858 121.855 120.300 -0.505 0.000 2.388 10 Y HA 0.482 5.030 4.550 -0.004 0.000 0.328 10 Y C 1.093 177.088 175.900 0.158 0.000 0.963 10 Y CA -0.692 57.330 58.100 -0.131 0.000 1.240 10 Y CB 1.050 39.469 38.460 -0.068 0.000 1.118 10 Y HN 0.506 nan 8.280 nan 0.000 0.484 11 A N 4.224 126.946 122.820 -0.164 0.000 1.930 11 A HA 0.353 4.665 4.320 -0.014 0.000 0.217 11 A C 1.461 178.915 177.584 -0.217 0.000 1.175 11 A CA 1.248 53.297 52.037 0.019 0.000 0.627 11 A CB -1.212 17.772 19.000 -0.026 0.000 0.815 11 A HN 1.626 nan 8.150 nan 0.000 0.443 12 G N -1.285 107.015 108.800 -0.833 0.000 2.828 12 G HA2 -0.125 3.827 3.960 -0.014 0.000 0.463 12 G HA3 -0.125 3.827 3.960 -0.014 0.000 0.463 12 G C -1.195 173.525 174.900 -0.300 0.000 1.394 12 G CA -0.098 44.598 45.100 -0.673 0.000 0.862 12 G HN 0.367 nan 8.290 nan 0.000 0.540 13 P HA 0.199 nan 4.420 nan 0.000 0.245 13 P C 1.250 178.488 177.300 -0.103 0.000 1.206 13 P CA 1.282 64.326 63.100 -0.093 0.000 0.781 13 P CB 0.068 31.752 31.700 -0.026 0.000 0.994 14 G N 0.263 108.975 108.800 -0.146 0.000 2.636 14 G HA2 0.336 4.287 3.960 -0.014 0.000 0.246 14 G HA3 0.336 4.287 3.960 -0.014 0.000 0.246 14 G C 1.013 175.819 174.900 -0.157 0.000 1.216 14 G CA 0.229 45.231 45.100 -0.164 0.000 0.854 14 G HN 0.245 nan 8.290 nan 0.000 0.572 15 K N -0.406 119.916 120.400 -0.131 0.000 2.358 15 K HA 0.746 5.057 4.320 -0.014 0.000 0.197 15 K C 1.162 177.694 176.600 -0.113 0.000 1.025 15 K CA 0.903 57.127 56.287 -0.105 0.000 1.104 15 K CB -0.005 32.450 32.500 -0.074 0.000 0.855 15 K HN 1.165 nan 8.250 nan 0.000 0.531 16 A N 0.832 123.562 122.820 -0.149 0.000 2.366 16 A HA 0.575 4.886 4.320 -0.014 0.000 0.250 16 A C 0.188 177.690 177.584 -0.137 0.000 1.099 16 A CA -0.270 51.684 52.037 -0.137 0.000 0.794 16 A CB 0.143 19.047 19.000 -0.159 0.000 1.056 16 A HN 0.478 nan 8.150 nan 0.000 0.499 17 R N 0.340 120.779 120.500 -0.101 0.000 2.587 17 R HA 0.411 4.742 4.340 -0.014 0.000 0.283 17 R C -1.457 174.797 176.300 -0.076 0.000 1.472 17 R CA 0.149 56.199 56.100 -0.083 0.000 1.578 17 R CB 0.470 30.735 30.300 -0.058 0.000 1.130 17 R HN 0.618 nan 8.270 nan 0.000 0.602 18 I N 2.876 123.391 120.570 -0.092 0.000 2.378 18 I HA 0.319 4.480 4.170 -0.014 0.000 0.291 18 I C 0.208 176.256 176.117 -0.114 0.000 0.992 18 I CA -0.951 60.312 61.300 -0.062 0.000 1.154 18 I CB 1.680 39.678 38.000 -0.004 0.000 1.315 18 I HN 0.199 nan 8.210 nan 0.000 0.448 19 I N 6.608 127.107 120.570 -0.119 0.000 2.533 19 I HA 0.241 4.402 4.170 -0.014 0.000 0.284 19 I C 0.434 176.366 176.117 -0.309 0.000 1.109 19 I CA 0.168 61.323 61.300 -0.241 0.000 1.412 19 I CB 0.060 37.961 38.000 -0.166 0.000 1.396 19 I HN 0.559 nan 8.210 nan 0.000 0.543 20 R N 5.421 125.546 120.500 -0.624 0.000 2.905 20 R HA 0.554 4.885 4.340 -0.014 0.000 0.260 20 R C -1.435 174.509 176.300 -0.593 0.000 1.086 20 R CA -0.923 54.865 56.100 -0.521 0.000 0.978 20 R CB 1.772 31.720 30.300 -0.588 0.000 1.215 20 R HN 0.305 nan 8.270 nan 0.000 0.480 21 Y N 0.479 120.919 120.300 0.233 0.000 2.409 21 Y HA 0.484 5.030 4.550 -0.007 0.000 0.343 21 Y C -0.011 176.333 175.900 0.741 0.000 0.973 21 Y CA -0.977 57.390 58.100 0.445 0.000 1.064 21 Y CB 1.524 40.145 38.460 0.268 0.000 1.207 21 Y HN 0.495 nan 8.280 nan 0.000 0.452 22 F N 0.276 120.596 119.950 0.617 0.000 2.561 22 F HA 0.611 5.129 4.527 -0.015 0.000 0.321 22 F C -1.478 174.559 175.800 0.396 0.000 1.065 22 F CA -1.894 56.386 58.000 0.467 0.000 0.934 22 F CB 1.082 40.161 39.000 0.131 0.000 1.215 22 F HN 0.474 nan 8.300 nan 0.000 0.471 23 Y N 3.227 123.663 120.300 0.227 0.000 2.393 23 Y HA 0.249 4.791 4.550 -0.014 0.000 0.338 23 Y C -0.067 175.836 175.900 0.005 0.000 1.029 23 Y CA -0.283 57.822 58.100 0.009 0.000 1.239 23 Y CB 0.367 38.880 38.460 0.087 0.000 1.170 23 Y HN 0.764 nan 8.280 nan 0.000 0.515 24 N N 5.214 123.448 118.700 -0.777 0.000 2.558 24 N HA 0.182 4.914 4.740 -0.014 0.000 0.233 24 N C 0.256 175.370 175.510 -0.660 0.000 1.038 24 N CA 0.339 53.125 53.050 -0.440 0.000 0.934 24 N CB 1.168 39.441 38.487 -0.357 0.000 1.175 24 N HN 0.878 nan 8.380 nan 0.000 0.512 25 A N 3.351 125.957 122.820 -0.358 0.000 2.014 25 A HA 0.029 4.340 4.320 -0.014 0.000 0.218 25 A C 2.012 179.540 177.584 -0.093 0.000 1.163 25 A CA 1.427 53.362 52.037 -0.169 0.000 0.652 25 A CB -0.401 18.700 19.000 0.167 0.000 0.808 25 A HN 0.668 nan 8.150 nan 0.000 0.449 26 A N -0.219 122.559 122.820 -0.069 0.000 1.930 26 A HA 0.228 4.539 4.320 -0.014 0.000 0.217 26 A C 2.305 179.852 177.584 -0.061 0.000 1.175 26 A CA 1.766 53.782 52.037 -0.035 0.000 0.627 26 A CB -0.644 18.352 19.000 -0.007 0.000 0.815 26 A HN 0.998 nan 8.150 nan 0.000 0.443 27 A N -1.738 121.013 122.820 -0.116 0.000 2.178 27 A HA 0.421 4.732 4.320 -0.014 0.000 0.211 27 A C 1.736 179.244 177.584 -0.128 0.000 1.157 27 A CA 1.123 53.094 52.037 -0.110 0.000 0.780 27 A CB -0.868 18.058 19.000 -0.122 0.000 0.828 27 A HN 1.871 nan 8.150 nan 0.000 0.476 28 G N -1.438 107.249 108.800 -0.187 0.000 2.295 28 G HA2 0.201 4.152 3.960 -0.014 0.000 0.287 28 G HA3 0.201 4.152 3.960 -0.014 0.000 0.287 28 G C 0.144 174.970 174.900 -0.123 0.000 1.055 28 G CA 0.581 45.619 45.100 -0.102 0.000 0.922 28 G HN 1.830 nan 8.290 nan 0.000 0.503 29 A N -1.387 121.219 122.820 -0.357 0.000 2.604 29 A HA 1.027 5.338 4.320 -0.014 0.000 0.295 29 A C -0.007 177.387 177.584 -0.317 0.000 1.067 29 A CA 0.291 52.208 52.037 -0.200 0.000 0.683 29 A CB 0.975 19.898 19.000 -0.129 0.000 1.281 29 A HN 2.114 nan 8.150 nan 0.000 0.407 30 A N 1.062 123.832 122.820 -0.083 0.000 2.328 30 A HA 0.642 4.953 4.320 -0.014 0.000 0.284 30 A C -0.061 177.476 177.584 -0.078 0.000 1.160 30 A CA -0.071 51.930 52.037 -0.060 0.000 0.818 30 A CB 0.133 19.179 19.000 0.078 0.000 1.087 30 A HN 0.762 nan 8.150 nan 0.000 0.504 31 Q N 0.661 120.323 119.800 -0.231 0.000 2.394 31 Q HA 0.619 4.951 4.340 -0.014 0.000 0.273 31 Q C -0.425 175.633 176.000 0.097 0.000 1.089 31 Q CA -0.853 54.874 55.803 -0.126 0.000 0.812 31 Q CB 2.401 30.944 28.738 -0.325 0.000 1.353 31 Q HN 0.911 nan 8.270 nan 0.000 0.438 32 A N 1.939 124.826 122.820 0.112 0.000 2.340 32 A HA 0.737 5.048 4.320 -0.014 0.000 0.268 32 A C -0.710 177.013 177.584 0.233 0.000 1.100 32 A CA -0.079 51.902 52.037 -0.094 0.000 0.803 32 A CB -0.016 18.855 19.000 -0.215 0.000 1.043 32 A HN 0.626 nan 8.150 nan 0.000 0.488 33 F N -0.460 119.474 119.950 -0.027 0.000 2.662 33 F HA 0.655 5.170 4.527 -0.020 0.000 0.312 33 F C -1.087 174.709 175.800 -0.007 0.000 1.113 33 F CA -1.340 56.683 58.000 0.038 0.000 0.951 33 F CB 1.210 40.262 39.000 0.087 0.000 1.344 33 F HN 0.276 nan 8.300 nan 0.000 0.462 34 V N 2.940 122.878 119.914 0.040 0.000 2.385 34 V HA 0.184 4.296 4.120 -0.014 0.000 0.269 34 V C -0.936 175.157 176.094 -0.003 0.000 1.043 34 V CA -0.467 61.788 62.300 -0.076 0.000 0.906 34 V CB 0.425 32.237 31.823 -0.017 0.000 0.995 34 V HN 0.721 nan 8.190 nan 0.000 0.467 35 Y N 3.635 123.750 120.300 -0.308 0.000 2.342 35 Y HA 0.623 5.166 4.550 -0.011 0.000 0.334 35 Y C 1.157 176.994 175.900 -0.104 0.000 1.067 35 Y CA -0.899 57.099 58.100 -0.171 0.000 1.128 35 Y CB 1.927 40.216 38.460 -0.286 0.000 1.200 35 Y HN 0.594 nan 8.280 nan 0.000 0.464 36 G N 2.034 110.499 108.800 -0.558 0.000 2.813 36 G HA2 0.301 4.253 3.960 -0.014 0.000 0.209 36 G HA3 0.301 4.253 3.960 -0.014 0.000 0.209 36 G C 1.020 175.506 174.900 -0.691 0.000 1.150 36 G CA 0.264 45.066 45.100 -0.497 0.000 0.785 36 G HN 1.651 nan 8.290 nan 0.000 0.535 37 G N -1.831 106.110 108.800 -1.432 0.000 2.176 37 G HA2 0.223 4.174 3.960 -0.014 0.000 0.232 37 G HA3 0.223 4.174 3.960 -0.014 0.000 0.232 37 G C 0.227 174.880 174.900 -0.411 0.000 0.986 37 G CA 0.274 44.884 45.100 -0.816 0.000 0.643 37 G HN 1.527 nan 8.290 nan 0.000 0.522 38 A N -0.704 121.892 122.820 -0.372 0.000 2.449 38 A HA 0.848 5.160 4.320 -0.014 0.000 0.302 38 A C 0.830 178.538 177.584 0.206 0.000 1.048 38 A CA 0.718 52.754 52.037 -0.000 0.000 0.708 38 A CB 1.247 20.225 19.000 -0.038 0.000 1.274 38 A HN 1.811 nan 8.150 nan 0.000 0.410 39 R N -1.437 119.210 120.500 0.245 0.000 3.531 39 R HA -0.148 4.184 4.340 -0.014 0.000 0.280 39 R C 0.623 177.152 176.300 0.381 0.000 1.130 39 R CA 1.179 57.440 56.100 0.270 0.000 0.757 39 R CB -3.065 27.405 30.300 0.283 0.000 1.218 39 R HN 2.463 nan 8.270 nan 0.000 0.454 40 A N 0.661 123.698 122.820 0.360 0.000 2.587 40 A HA 0.252 4.564 4.320 -0.014 0.000 0.235 40 A C 0.923 178.522 177.584 0.024 0.000 1.044 40 A CA 0.726 52.836 52.037 0.122 0.000 0.754 40 A CB 0.268 19.146 19.000 -0.203 0.000 0.968 40 A HN 0.543 nan 8.150 nan 0.000 0.509 41 K N 1.215 121.620 120.400 0.009 0.000 2.209 41 K HA 0.312 4.624 4.320 -0.014 0.000 0.238 41 K C 1.035 177.505 176.600 -0.216 0.000 1.028 41 K CA -0.706 55.503 56.287 -0.129 0.000 0.935 41 K CB 0.703 33.103 32.500 -0.166 0.000 1.162 41 K HN 0.677 nan 8.250 nan 0.000 0.485 42 R N 0.452 120.784 120.500 -0.280 0.000 2.153 42 R HA -0.051 4.280 4.340 -0.014 0.000 0.218 42 R C 0.691 176.654 176.300 -0.562 0.000 1.072 42 R CA 0.560 56.324 56.100 -0.560 0.000 0.990 42 R CB -0.158 29.644 30.300 -0.830 0.000 0.889 42 R HN 0.360 nan 8.270 nan 0.000 0.452 43 N N 1.976 120.600 118.700 -0.127 0.000 3.178 43 N HA -0.036 4.695 4.740 -0.014 0.000 0.300 43 N C -1.399 174.159 175.510 0.080 0.000 1.242 43 N CA 0.092 53.256 53.050 0.190 0.000 1.192 43 N CB -0.239 38.482 38.487 0.389 0.000 1.463 43 N HN 0.076 nan 8.380 nan 0.000 0.539 44 N N 2.452 120.937 118.700 -0.358 0.000 2.572 44 N HA 0.208 4.939 4.740 -0.014 0.000 0.287 44 N C -1.894 173.267 175.510 -0.582 0.000 1.136 44 N CA -0.227 52.728 53.050 -0.158 0.000 0.900 44 N CB 0.224 38.605 38.487 -0.175 0.000 1.484 44 N HN -0.013 nan 8.380 nan 0.000 0.526 45 F N 0.888 120.973 119.950 0.224 0.000 2.577 45 F HA 0.622 5.140 4.527 -0.015 0.000 0.318 45 F C 1.342 177.271 175.800 0.215 0.000 1.065 45 F CA -0.843 57.263 58.000 0.177 0.000 0.929 45 F CB 1.910 41.026 39.000 0.194 0.000 1.237 45 F HN 0.525 nan 8.300 nan 0.000 0.468 46 A N 0.702 123.713 122.820 0.319 0.000 2.167 46 A HA 0.218 4.529 4.320 -0.014 0.000 0.214 46 A C 0.548 178.292 177.584 0.267 0.000 1.151 46 A CA 1.094 53.285 52.037 0.257 0.000 0.735 46 A CB -0.518 18.571 19.000 0.148 0.000 0.802 46 A HN 0.633 nan 8.150 nan 0.000 0.467 47 S N -3.749 112.020 115.700 0.115 0.000 2.588 47 S HA 0.668 5.130 4.470 -0.014 0.000 0.275 47 S C 0.710 174.975 174.600 -0.559 0.000 1.130 47 S CA -0.090 57.878 58.200 -0.386 0.000 0.855 47 S CB 1.389 64.462 63.200 -0.211 0.000 1.116 47 S HN 0.826 nan 8.310 nan 0.000 0.472 48 A N 1.471 123.714 122.820 -0.962 0.000 1.902 48 A HA 0.234 4.546 4.320 -0.014 0.000 0.217 48 A C 2.311 179.759 177.584 -0.227 0.000 1.181 48 A CA 1.961 53.730 52.037 -0.446 0.000 0.623 48 A CB -1.614 17.188 19.000 -0.330 0.000 0.818 48 A HN 1.572 nan 8.150 nan 0.000 0.443 49 A N -0.059 122.631 122.820 -0.217 0.000 1.940 49 A HA -0.206 4.106 4.320 -0.014 0.000 0.219 49 A C 1.751 179.233 177.584 -0.170 0.000 1.176 49 A CA 2.047 53.993 52.037 -0.151 0.000 0.631 49 A CB -0.587 18.343 19.000 -0.116 0.000 0.814 49 A HN 0.452 nan 8.150 nan 0.000 0.446 50 D N -0.282 120.019 120.400 -0.166 0.000 2.183 50 D HA 0.055 4.686 4.640 -0.014 0.000 0.203 50 D C 2.200 178.138 176.300 -0.604 0.000 0.969 50 D CA 1.279 55.154 54.000 -0.209 0.000 0.842 50 D CB -0.310 40.497 40.800 0.011 0.000 0.957 50 D HN 0.416 nan 8.370 nan 0.000 0.484 51 A N 0.374 122.838 122.820 -0.594 0.000 1.898 51 A HA -0.098 4.214 4.320 -0.014 0.000 0.216 51 A C 2.286 179.601 177.584 -0.447 0.000 1.181 51 A CA 0.853 52.424 52.037 -0.777 0.000 0.620 51 A CB -0.685 18.277 19.000 -0.064 0.000 0.819 51 A HN 0.209 nan 8.150 nan 0.000 0.442 52 L N -0.805 120.266 121.223 -0.254 0.000 2.056 52 L HA -0.153 4.178 4.340 -0.014 0.000 0.207 52 L C 3.080 179.792 176.870 -0.262 0.000 1.078 52 L CA 0.962 55.675 54.840 -0.210 0.000 0.749 52 L CB -0.571 41.426 42.059 -0.104 0.000 0.901 52 L HN 0.418 nan 8.230 nan 0.000 0.433 53 A N 0.121 122.796 122.820 -0.242 0.000 1.940 53 A HA -0.182 4.129 4.320 -0.014 0.000 0.219 53 A C 2.480 179.944 177.584 -0.200 0.000 1.176 53 A CA 1.901 53.826 52.037 -0.187 0.000 0.631 53 A CB -0.602 18.315 19.000 -0.139 0.000 0.814 53 A HN 0.417 nan 8.150 nan 0.000 0.446 54 A N -2.253 120.398 122.820 -0.282 0.000 1.930 54 A HA 0.034 4.346 4.320 -0.014 0.000 0.215 54 A C 1.952 179.387 177.584 -0.248 0.000 1.176 54 A CA 1.608 53.540 52.037 -0.175 0.000 0.632 54 A CB -0.503 18.453 19.000 -0.072 0.000 0.819 54 A HN 0.591 nan 8.150 nan 0.000 0.445 55 c N -2.056 116.293 118.600 -0.418 0.000 3.580 55 c HA 0.630 5.191 4.570 -0.014 0.000 0.337 55 c C 1.573 175.145 174.090 -0.864 0.000 1.412 55 c CA -0.541 55.412 56.329 -0.627 0.000 1.797 55 c CB -0.805 41.239 42.510 -0.777 0.000 2.470 55 c HN 0.658 nan 8.230 nan 0.000 0.691 56 A N 0.000 122.421 122.820 -0.665 0.000 0.000 56 A HA 0.000 4.311 4.320 -0.014 0.000 0.000 56 A CA 0.000 51.758 52.037 -0.465 0.000 0.000 56 A CB 0.000 18.869 19.000 -0.219 0.000 0.000 56 A HN 0.000 nan 8.150 nan 0.000 0.000