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 1bz5_1_A DATA FIRST_RESID 1 DATA SEQUENCE RPDFcLEPPY TGPcKARIIR YFYNAKAGLc QTFVYGGcRA KRNNFKSAED DATA SEQUENCE cMRTcG 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 0.000 176.162 176.300 -0.231 0.000 0.893 1 R CA 0.000 55.972 56.100 -0.214 0.000 0.921 1 R CB 0.000 30.125 30.300 -0.291 0.000 0.687 2 P HA 0.153 nan 4.420 nan 0.000 0.269 2 P C -0.331 176.727 177.300 -0.402 0.000 1.215 2 P CA -0.287 62.563 63.100 -0.417 0.000 0.780 2 P CB 0.572 31.782 31.700 -0.817 0.000 0.898 3 D N 0.243 120.523 120.400 -0.200 0.000 2.219 3 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 3 D C 1.437 177.726 176.300 -0.018 0.000 0.970 3 D CA 0.951 54.906 54.000 -0.076 0.000 0.851 3 D CB -0.471 40.333 40.800 0.007 0.000 0.943 3 D HN 0.509 nan 8.370 nan 0.000 0.488 4 F N -0.507 119.468 119.950 0.041 0.000 2.451 4 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 4 F C 1.762 177.624 175.800 0.102 0.000 1.101 4 F CA -0.119 57.910 58.000 0.048 0.000 1.436 4 F CB -1.277 37.737 39.000 0.024 0.000 1.074 4 F HN -0.079 nan 8.300 nan 0.000 0.553 5 c N 1.242 119.744 118.600 -0.164 0.000 2.449 5 c HA 0.062 4.632 4.570 -0.000 0.000 0.283 5 c C 2.545 176.786 174.090 0.251 0.000 1.453 5 c CA 0.436 56.803 56.329 0.064 0.000 1.779 5 c CB -1.647 40.733 42.510 -0.216 0.000 1.779 5 c HN 0.602 nan 8.230 nan 0.000 0.546 6 L N 0.869 122.184 121.223 0.153 0.000 2.529 6 L HA 0.088 4.428 4.340 -0.000 0.000 0.223 6 L C 1.243 178.193 176.870 0.132 0.000 1.113 6 L CA 0.280 55.209 54.840 0.148 0.000 0.861 6 L CB -0.480 41.631 42.059 0.086 0.000 1.012 6 L HN 0.513 nan 8.230 nan 0.000 0.461 7 E N 1.253 121.540 120.200 0.144 0.000 2.366 7 E HA 0.277 4.627 4.350 -0.000 0.000 0.266 7 E C -2.443 174.194 176.600 0.062 0.000 1.051 7 E CA -2.157 54.296 56.400 0.088 0.000 0.884 7 E CB 0.133 29.877 29.700 0.073 0.000 1.006 7 E HN -0.079 nan 8.360 nan 0.000 0.417 8 P HA 0.126 nan 4.420 nan 0.000 0.272 8 P C -2.352 174.773 177.300 -0.292 0.000 1.223 8 P CA -1.083 61.937 63.100 -0.133 0.000 0.784 8 P CB -0.086 31.553 31.700 -0.101 0.000 0.923 9 P HA 0.006 nan 4.420 nan 0.000 0.268 9 P C -1.391 175.596 177.300 -0.522 0.000 1.205 9 P CA 0.317 62.790 63.100 -1.044 0.000 0.771 9 P CB 0.241 30.772 31.700 -1.949 0.000 0.858 10 Y N 1.668 121.674 120.300 -0.490 0.000 2.338 10 Y HA 0.238 4.788 4.550 -0.000 0.000 0.328 10 Y C 1.251 177.254 175.900 0.171 0.000 0.965 10 Y CA -0.118 57.910 58.100 -0.120 0.000 1.208 10 Y CB 1.218 39.644 38.460 -0.056 0.000 1.132 10 Y HN 0.270 nan 8.280 nan 0.000 0.469 11 T N 3.806 118.259 114.554 -0.169 0.000 2.812 11 T HA 0.264 4.614 4.350 -0.000 0.000 0.264 11 T C 0.704 175.248 174.700 -0.260 0.000 1.042 11 T CA 1.434 63.532 62.100 -0.003 0.000 1.140 11 T CB -0.734 68.111 68.868 -0.039 0.000 0.870 11 T HN 1.172 nan 8.240 nan 0.000 0.445 12 G N 1.420 109.716 108.800 -0.839 0.000 2.712 12 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.683 12 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.683 12 G C -2.040 172.684 174.900 -0.294 0.000 1.320 12 G CA -0.312 44.406 45.100 -0.637 0.000 0.847 12 G HN 0.151 nan 8.290 nan 0.000 0.553 13 P HA 0.142 nan 4.420 nan 0.000 0.236 13 P C 1.010 178.252 177.300 -0.097 0.000 1.177 13 P CA 0.668 63.717 63.100 -0.085 0.000 0.773 13 P CB 0.059 31.747 31.700 -0.020 0.000 0.878 14 c N 1.535 120.054 118.600 -0.136 0.000 2.595 14 c HA 0.201 4.771 4.570 -0.000 0.000 0.384 14 c C 1.952 175.952 174.090 -0.150 0.000 1.289 14 c CA -0.355 55.887 56.329 -0.144 0.000 2.372 14 c CB 0.397 42.798 42.510 -0.182 0.000 2.593 14 c HN 0.189 nan 8.230 nan 0.000 0.639 15 K N 1.045 121.373 120.400 -0.119 0.000 2.444 15 K HA 0.144 4.464 4.320 -0.000 0.000 0.193 15 K C 0.708 177.244 176.600 -0.107 0.000 1.024 15 K CA 0.175 56.402 56.287 -0.101 0.000 1.077 15 K CB -0.486 31.971 32.500 -0.071 0.000 0.833 15 K HN 0.719 nan 8.250 nan 0.000 0.517 16 A N 1.378 124.112 122.820 -0.143 0.000 2.332 16 A HA 0.407 4.727 4.320 -0.000 0.000 0.258 16 A C -0.187 177.317 177.584 -0.133 0.000 1.087 16 A CA -0.307 51.650 52.037 -0.134 0.000 0.802 16 A CB 0.309 19.215 19.000 -0.156 0.000 1.042 16 A HN 0.133 nan 8.150 nan 0.000 0.489 17 R N 1.028 121.469 120.500 -0.099 0.000 2.587 17 R HA 0.360 4.700 4.340 -0.000 0.000 0.283 17 R C -1.018 175.232 176.300 -0.084 0.000 1.472 17 R CA -0.030 56.019 56.100 -0.086 0.000 1.578 17 R CB 0.410 30.674 30.300 -0.061 0.000 1.130 17 R HN 0.534 nan 8.270 nan 0.000 0.602 18 I N 2.505 123.015 120.570 -0.100 0.000 2.377 18 I HA 0.341 4.511 4.170 -0.000 0.000 0.293 18 I C 0.625 176.656 176.117 -0.142 0.000 0.987 18 I CA -1.044 60.205 61.300 -0.084 0.000 1.185 18 I CB 1.402 39.382 38.000 -0.033 0.000 1.341 18 I HN 0.374 nan 8.210 nan 0.000 0.455 19 I N 6.321 126.794 120.570 -0.162 0.000 2.441 19 I HA 0.226 4.396 4.170 -0.000 0.000 0.287 19 I C 0.479 176.365 176.117 -0.385 0.000 1.049 19 I CA -0.227 60.907 61.300 -0.278 0.000 1.381 19 I CB 0.421 38.282 38.000 -0.232 0.000 1.409 19 I HN 0.435 nan 8.210 nan 0.000 0.523 20 R N 4.979 125.116 120.500 -0.605 0.000 2.888 20 R HA 0.547 4.887 4.340 -0.000 0.000 0.264 20 R C -1.533 174.493 176.300 -0.457 0.000 1.045 20 R CA -1.017 54.760 56.100 -0.538 0.000 0.962 20 R CB 1.945 31.863 30.300 -0.636 0.000 1.210 20 R HN 0.329 nan 8.270 nan 0.000 0.479 21 Y N 0.463 120.942 120.300 0.300 0.000 2.468 21 Y HA 0.550 5.100 4.550 -0.000 0.000 0.342 21 Y C 0.074 176.429 175.900 0.758 0.000 1.021 21 Y CA -0.888 57.487 58.100 0.458 0.000 1.079 21 Y CB 1.464 40.084 38.460 0.267 0.000 1.226 21 Y HN 0.482 nan 8.280 nan 0.000 0.460 22 F N -0.029 120.303 119.950 0.637 0.000 2.599 22 F HA 0.597 5.124 4.527 -0.000 0.000 0.311 22 F C -1.850 174.185 175.800 0.392 0.000 1.076 22 F CA -1.978 56.318 58.000 0.494 0.000 0.937 22 F CB 0.952 40.042 39.000 0.150 0.000 1.282 22 F HN 0.410 nan 8.300 nan 0.000 0.460 23 Y N 2.708 123.146 120.300 0.229 0.000 2.336 23 Y HA 0.327 4.876 4.550 -0.000 0.000 0.335 23 Y C -0.341 175.567 175.900 0.013 0.000 1.046 23 Y CA -0.562 57.541 58.100 0.005 0.000 1.198 23 Y CB 0.784 39.295 38.460 0.085 0.000 1.182 23 Y HN 0.862 nan 8.280 nan 0.000 0.502 24 N N 4.831 123.110 118.700 -0.700 0.000 2.558 24 N HA 0.355 5.095 4.740 -0.000 0.000 0.233 24 N C 0.666 175.776 175.510 -0.668 0.000 1.038 24 N CA 0.288 53.088 53.050 -0.417 0.000 0.934 24 N CB 0.768 39.045 38.487 -0.350 0.000 1.175 24 N HN 0.894 nan 8.380 nan 0.000 0.512 25 A N 3.965 126.555 122.820 -0.383 0.000 1.917 25 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 25 A C 2.118 179.619 177.584 -0.139 0.000 1.182 25 A CA 1.353 53.271 52.037 -0.199 0.000 0.633 25 A CB -0.373 18.679 19.000 0.087 0.000 0.819 25 A HN 0.746 nan 8.150 nan 0.000 0.448 26 K N -0.456 119.886 120.400 -0.096 0.000 2.001 26 K HA -0.062 4.258 4.320 -0.000 0.000 0.208 26 K C 2.119 178.667 176.600 -0.087 0.000 1.048 26 K CA 1.251 57.504 56.287 -0.058 0.000 0.932 26 K CB -0.347 32.138 32.500 -0.025 0.000 0.715 26 K HN 0.351 nan 8.250 nan 0.000 0.437 27 A N 0.225 122.966 122.820 -0.131 0.000 2.067 27 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 27 A C 1.480 178.973 177.584 -0.151 0.000 1.158 27 A CA 1.413 53.374 52.037 -0.127 0.000 0.661 27 A CB -0.708 18.210 19.000 -0.136 0.000 0.801 27 A HN 0.663 nan 8.150 nan 0.000 0.452 28 G N -1.858 106.798 108.800 -0.240 0.000 2.147 28 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.244 28 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.244 28 G C -0.094 174.724 174.900 -0.136 0.000 1.005 28 G CA 0.806 45.812 45.100 -0.156 0.000 0.713 28 G HN 1.617 nan 8.290 nan 0.000 0.515 29 L N -4.274 116.753 121.223 -0.326 0.000 2.720 29 L HA 0.846 5.186 4.340 -0.000 0.000 0.261 29 L C 0.149 176.855 176.870 -0.273 0.000 1.046 29 L CA -1.779 52.963 54.840 -0.164 0.000 0.886 29 L CB 0.337 42.340 42.059 -0.094 0.000 1.493 29 L HN 0.108 nan 8.230 nan 0.000 0.407 30 c N 0.465 118.999 118.600 -0.110 0.000 2.452 30 c HA 0.760 5.330 4.570 -0.000 0.000 0.379 30 c C 0.158 174.157 174.090 -0.152 0.000 1.275 30 c CA -0.074 56.174 56.329 -0.134 0.000 2.056 30 c CB 0.410 42.908 42.510 -0.020 0.000 2.506 30 c HN 0.779 nan 8.230 nan 0.000 0.560 31 Q N 0.319 119.928 119.800 -0.319 0.000 2.528 31 Q HA 0.569 4.909 4.340 -0.000 0.000 0.289 31 Q C -0.324 175.745 176.000 0.116 0.000 1.091 31 Q CA -0.555 55.160 55.803 -0.147 0.000 0.797 31 Q CB 2.032 30.605 28.738 -0.274 0.000 1.466 31 Q HN 0.810 nan 8.270 nan 0.000 0.436 32 T N -1.288 113.402 114.554 0.226 0.000 2.918 32 T HA 0.733 5.083 4.350 -0.000 0.000 0.283 32 T C -0.481 174.503 174.700 0.474 0.000 1.001 32 T CA -0.481 61.739 62.100 0.200 0.000 1.041 32 T CB 0.448 69.320 68.868 0.006 0.000 1.028 32 T HN 0.512 nan 8.240 nan 0.000 0.511 33 F N -1.061 118.982 119.950 0.155 0.000 2.713 33 F HA 0.682 5.209 4.527 -0.000 0.000 0.311 33 F C -1.971 173.857 175.800 0.045 0.000 1.141 33 F CA -1.667 56.404 58.000 0.118 0.000 0.939 33 F CB 0.830 39.878 39.000 0.080 0.000 1.325 33 F HN 0.454 nan 8.300 nan 0.000 0.453 34 V N 3.163 123.081 119.914 0.007 0.000 2.364 34 V HA 0.240 4.360 4.120 -0.000 0.000 0.272 34 V C -1.022 175.025 176.094 -0.078 0.000 1.036 34 V CA -0.508 61.719 62.300 -0.121 0.000 0.880 34 V CB 0.655 32.466 31.823 -0.021 0.000 0.991 34 V HN 0.733 nan 8.190 nan 0.000 0.460 35 Y N 3.564 123.628 120.300 -0.393 0.000 2.323 35 Y HA 0.599 5.149 4.550 -0.000 0.000 0.331 35 Y C 1.204 177.030 175.900 -0.124 0.000 1.092 35 Y CA -0.804 57.161 58.100 -0.224 0.000 1.150 35 Y CB 1.897 40.166 38.460 -0.319 0.000 1.200 35 Y HN 0.610 nan 8.280 nan 0.000 0.472 36 G N 2.092 110.589 108.800 -0.505 0.000 2.572 36 G HA2 0.252 4.212 3.960 -0.000 0.000 0.216 36 G HA3 0.252 4.212 3.960 -0.000 0.000 0.216 36 G C 1.016 175.525 174.900 -0.652 0.000 1.133 36 G CA 0.478 45.287 45.100 -0.485 0.000 0.791 36 G HN 1.614 nan 8.290 nan 0.000 0.538 37 G N -1.940 106.062 108.800 -1.330 0.000 2.211 37 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.201 37 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.201 37 G C 0.331 174.961 174.900 -0.450 0.000 0.997 37 G CA 0.332 44.958 45.100 -0.790 0.000 0.652 37 G HN 1.571 nan 8.290 nan 0.000 0.500 38 c N -2.406 115.949 118.600 -0.409 0.000 3.288 38 c HA 0.817 5.387 4.570 -0.000 0.000 0.318 38 c C 0.796 174.989 174.090 0.172 0.000 1.356 38 c CA 0.341 56.666 56.329 -0.007 0.000 1.359 38 c CB 1.309 43.800 42.510 -0.031 0.000 1.688 38 c HN 1.615 nan 8.230 nan 0.000 0.467 39 R N -1.351 119.272 120.500 0.206 0.000 3.422 39 R HA -0.026 4.314 4.340 -0.000 0.000 0.267 39 R C 0.461 176.984 176.300 0.371 0.000 1.074 39 R CA 1.161 57.407 56.100 0.243 0.000 0.718 39 R CB -2.741 27.703 30.300 0.240 0.000 1.157 39 R HN 2.346 nan 8.270 nan 0.000 0.440 40 A N 0.694 123.722 122.820 0.346 0.000 2.483 40 A HA 0.486 4.806 4.320 -0.000 0.000 0.238 40 A C 0.817 178.439 177.584 0.064 0.000 1.070 40 A CA 0.061 52.231 52.037 0.221 0.000 0.770 40 A CB 0.368 19.316 19.000 -0.086 0.000 1.008 40 A HN 0.307 nan 8.150 nan 0.000 0.497 41 K N 0.528 120.947 120.400 0.032 0.000 2.177 41 K HA 0.314 4.634 4.320 -0.000 0.000 0.238 41 K C 1.165 177.645 176.600 -0.200 0.000 1.015 41 K CA -0.738 55.488 56.287 -0.102 0.000 0.922 41 K CB 0.711 33.151 32.500 -0.100 0.000 1.127 41 K HN 0.715 nan 8.250 nan 0.000 0.469 42 R N 0.515 120.835 120.500 -0.301 0.000 2.148 42 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 42 R C 0.628 176.618 176.300 -0.516 0.000 1.103 42 R CA 0.762 56.491 56.100 -0.619 0.000 0.983 42 R CB -0.096 29.522 30.300 -1.137 0.000 0.874 42 R HN 0.389 nan 8.270 nan 0.000 0.451 43 N N 1.944 120.601 118.700 -0.070 0.000 3.245 43 N HA -0.033 4.707 4.740 -0.000 0.000 0.296 43 N C -1.351 174.222 175.510 0.106 0.000 1.254 43 N CA 0.079 53.254 53.050 0.208 0.000 1.190 43 N CB -0.332 38.376 38.487 0.369 0.000 1.460 43 N HN 0.064 nan 8.380 nan 0.000 0.538 44 N N 1.983 120.549 118.700 -0.223 0.000 2.572 44 N HA 0.204 4.943 4.740 -0.000 0.000 0.287 44 N C -1.937 173.364 175.510 -0.349 0.000 1.136 44 N CA -0.254 52.782 53.050 -0.023 0.000 0.900 44 N CB 0.287 38.697 38.487 -0.129 0.000 1.484 44 N HN -0.041 nan 8.380 nan 0.000 0.526 45 F N 1.897 121.999 119.950 0.252 0.000 2.520 45 F HA 0.426 4.953 4.527 -0.000 0.000 0.322 45 F C 1.632 177.578 175.800 0.243 0.000 1.103 45 F CA -0.846 57.283 58.000 0.214 0.000 0.926 45 F CB 2.388 41.536 39.000 0.246 0.000 1.154 45 F HN 0.403 nan 8.300 nan 0.000 0.453 46 K N 0.771 121.364 120.400 0.320 0.000 2.228 46 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 46 K C 0.451 177.267 176.600 0.360 0.000 1.051 46 K CA 0.698 57.138 56.287 0.255 0.000 0.960 46 K CB 0.227 32.815 32.500 0.147 0.000 0.743 46 K HN 0.473 nan 8.250 nan 0.000 0.458 47 S N -1.032 114.855 115.700 0.312 0.000 2.473 47 S HA 0.499 4.969 4.470 -0.000 0.000 0.307 47 S C 0.457 175.001 174.600 -0.094 0.000 1.094 47 S CA -0.467 57.809 58.200 0.126 0.000 1.070 47 S CB 1.749 64.992 63.200 0.071 0.000 1.019 47 S HN 0.276 nan 8.310 nan 0.000 0.480 48 A N 3.537 126.023 122.820 -0.557 0.000 2.015 48 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 48 A C 1.897 179.255 177.584 -0.376 0.000 1.163 48 A CA 1.574 53.138 52.037 -0.787 0.000 0.646 48 A CB -0.703 17.678 19.000 -1.031 0.000 0.806 48 A HN 0.963 nan 8.150 nan 0.000 0.448 49 E N 0.061 120.114 120.200 -0.245 0.000 2.051 49 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 49 E C 1.150 177.647 176.600 -0.173 0.000 0.991 49 E CA 1.490 57.791 56.400 -0.165 0.000 0.799 49 E CB -0.144 29.497 29.700 -0.098 0.000 0.748 49 E HN 0.532 nan 8.360 nan 0.000 0.449 50 D N 0.208 120.522 120.400 -0.144 0.000 2.144 50 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 50 D C 1.986 177.992 176.300 -0.490 0.000 0.984 50 D CA 0.887 54.803 54.000 -0.139 0.000 0.834 50 D CB -0.717 40.136 40.800 0.088 0.000 0.955 50 D HN 0.237 nan 8.370 nan 0.000 0.465 51 c N 0.417 118.586 118.600 -0.718 0.000 2.432 51 c HA -0.083 4.486 4.570 -0.000 0.000 0.277 51 c C 2.714 176.456 174.090 -0.580 0.000 1.249 51 c CA 0.589 56.231 56.329 -1.145 0.000 1.725 51 c CB -1.024 41.136 42.510 -0.584 0.000 2.028 51 c HN 0.283 nan 8.230 nan 0.000 0.477 52 M N -0.112 119.287 119.600 -0.334 0.000 2.117 52 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 52 M C 2.512 178.684 176.300 -0.214 0.000 1.065 52 M CA 1.862 57.039 55.300 -0.205 0.000 1.114 52 M CB -0.696 31.818 32.600 -0.144 0.000 1.361 52 M HN 0.403 nan 8.290 nan 0.000 0.408 53 R N -0.005 120.371 120.500 -0.207 0.000 2.075 53 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 53 R C 1.954 178.157 176.300 -0.162 0.000 1.126 53 R CA 1.828 57.837 56.100 -0.152 0.000 0.963 53 R CB -0.173 30.063 30.300 -0.107 0.000 0.858 53 R HN 0.258 nan 8.270 nan 0.000 0.435 54 T N -0.605 113.830 114.554 -0.198 0.000 2.770 54 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 54 T C 1.731 176.293 174.700 -0.229 0.000 1.039 54 T CA 1.330 63.358 62.100 -0.120 0.000 1.142 54 T CB -0.063 68.839 68.868 0.056 0.000 0.868 54 T HN 0.385 nan 8.240 nan 0.000 0.435 55 c N 0.808 119.173 118.600 -0.392 0.000 2.791 55 c HA 0.469 5.039 4.570 -0.000 0.000 0.288 55 c C 1.897 175.485 174.090 -0.838 0.000 1.271 55 c CA -1.164 54.761 56.329 -0.673 0.000 1.726 55 c CB -0.994 41.001 42.510 -0.858 0.000 2.145 55 c HN 0.602 nan 8.230 nan 0.000 0.572 56 G N 0.000 108.504 108.800 -0.493 0.000 0.000 56 G HA2 0.000 3.960 3.960 -0.000 0.000 0.000 56 G HA3 0.000 3.960 3.960 -0.000 0.000 0.000 56 G CA 0.000 44.941 45.100 -0.265 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000