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 1nag_1_A DATA FIRST_RESID 1 DATA SEQUENCE RPDFcLEPPY TGPcKARIIR YFYNAKAGLc QTFVYGGcRA KRGNFKSAED 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 0.000 176.159 176.300 -0.235 0.000 0.893 1 R CA 0.000 55.965 56.100 -0.225 0.000 0.921 1 R CB 0.000 30.159 30.300 -0.235 0.000 0.687 2 P HA 0.167 nan 4.420 nan 0.000 0.269 2 P C -0.168 176.909 177.300 -0.370 0.000 1.209 2 P CA -0.340 62.533 63.100 -0.379 0.000 0.776 2 P CB 0.730 32.029 31.700 -0.668 0.000 0.876 3 D N 0.696 120.999 120.400 -0.162 0.000 2.221 3 D HA -0.147 4.397 4.640 -0.160 0.000 0.204 3 D C 1.547 177.838 176.300 -0.014 0.000 0.982 3 D CA 1.108 55.072 54.000 -0.061 0.000 0.857 3 D CB -0.462 40.347 40.800 0.016 0.000 0.934 3 D HN 0.531 nan 8.370 nan 0.000 0.475 4 F N 0.170 120.147 119.950 0.045 0.000 2.333 4 F HA -0.097 4.373 4.527 -0.095 0.000 0.300 4 F C 2.015 177.878 175.800 0.106 0.000 1.083 4 F CA -0.123 57.908 58.000 0.052 0.000 1.395 4 F CB -1.327 37.690 39.000 0.027 0.000 1.056 4 F HN -0.067 nan 8.300 nan 0.000 0.529 5 c N 0.800 119.284 118.600 -0.193 0.000 2.422 5 c HA -0.069 4.405 4.570 -0.160 0.000 0.279 5 c C 2.485 176.722 174.090 0.246 0.000 1.305 5 c CA 0.545 56.901 56.329 0.045 0.000 1.757 5 c CB -1.443 40.953 42.510 -0.189 0.000 1.962 5 c HN 0.534 nan 8.230 nan 0.000 0.499 6 L N 0.326 121.646 121.223 0.161 0.000 2.592 6 L HA 0.178 4.422 4.340 -0.160 0.000 0.227 6 L C 0.843 177.801 176.870 0.146 0.000 1.127 6 L CA 0.844 55.790 54.840 0.176 0.000 0.884 6 L CB -0.563 41.566 42.059 0.117 0.000 1.065 6 L HN 0.354 nan 8.230 nan 0.000 0.457 7 E N 1.113 121.404 120.200 0.152 0.000 2.366 7 E HA 0.179 4.434 4.350 -0.160 0.000 0.266 7 E C -1.992 174.652 176.600 0.074 0.000 1.051 7 E CA -1.889 54.569 56.400 0.097 0.000 0.884 7 E CB 0.405 30.160 29.700 0.092 0.000 1.006 7 E HN -0.012 nan 8.360 nan 0.000 0.417 8 P HA 0.089 nan 4.420 nan 0.000 0.272 8 P C -2.465 174.702 177.300 -0.222 0.000 1.223 8 P CA -1.156 61.882 63.100 -0.103 0.000 0.784 8 P CB -0.305 31.343 31.700 -0.087 0.000 0.923 9 P HA 0.059 nan 4.420 nan 0.000 0.269 9 P C -1.285 175.762 177.300 -0.422 0.000 1.215 9 P CA 0.222 62.799 63.100 -0.872 0.000 0.780 9 P CB 0.322 30.867 31.700 -1.925 0.000 0.898 10 Y N 0.448 120.521 120.300 -0.379 0.000 2.326 10 Y HA 0.254 4.755 4.550 -0.081 0.000 0.329 10 Y C 1.194 177.251 175.900 0.263 0.000 0.973 10 Y CA -0.184 57.893 58.100 -0.038 0.000 1.162 10 Y CB 1.433 39.885 38.460 -0.012 0.000 1.147 10 Y HN 0.268 nan 8.280 nan 0.000 0.456 11 T N 3.796 118.224 114.554 -0.210 0.000 2.812 11 T HA 0.284 4.538 4.350 -0.160 0.000 0.264 11 T C 0.761 175.264 174.700 -0.328 0.000 1.042 11 T CA 1.391 63.452 62.100 -0.064 0.000 1.140 11 T CB -0.738 68.084 68.868 -0.075 0.000 0.870 11 T HN 1.200 nan 8.240 nan 0.000 0.445 12 G N 1.530 109.770 108.800 -0.933 0.000 2.757 12 G HA2 -0.118 3.747 3.960 -0.160 0.000 0.638 12 G HA3 -0.118 3.747 3.960 -0.160 0.000 0.638 12 G C -2.174 172.551 174.900 -0.291 0.000 1.344 12 G CA -0.275 44.422 45.100 -0.672 0.000 0.855 12 G HN 0.210 nan 8.290 nan 0.000 0.537 13 P HA 0.262 nan 4.420 nan 0.000 0.261 13 P C 0.874 178.115 177.300 -0.098 0.000 1.268 13 P CA 0.327 63.375 63.100 -0.086 0.000 0.833 13 P CB 0.118 31.806 31.700 -0.019 0.000 1.231 14 c N 0.847 119.363 118.600 -0.140 0.000 2.563 14 c HA 0.239 4.713 4.570 -0.160 0.000 0.358 14 c C 1.852 175.848 174.090 -0.157 0.000 1.336 14 c CA -0.203 56.039 56.329 -0.146 0.000 2.454 14 c CB 0.433 42.837 42.510 -0.176 0.000 2.448 14 c HN 0.192 nan 8.230 nan 0.000 0.670 15 K N 0.545 120.867 120.400 -0.129 0.000 2.372 15 K HA 0.267 4.491 4.320 -0.160 0.000 0.200 15 K C 0.548 177.079 176.600 -0.115 0.000 1.022 15 K CA -0.038 56.182 56.287 -0.110 0.000 1.125 15 K CB 0.244 32.698 32.500 -0.077 0.000 0.855 15 K HN 0.700 nan 8.250 nan 0.000 0.524 16 A N 1.675 124.405 122.820 -0.150 0.000 2.280 16 A HA 0.337 4.561 4.320 -0.160 0.000 0.268 16 A C -0.104 177.398 177.584 -0.137 0.000 1.111 16 A CA -0.322 51.636 52.037 -0.132 0.000 0.814 16 A CB 0.332 19.245 19.000 -0.146 0.000 1.093 16 A HN 0.279 nan 8.150 nan 0.000 0.498 17 R N 0.175 120.612 120.500 -0.105 0.000 2.585 17 R HA 0.359 4.603 4.340 -0.160 0.000 0.278 17 R C -1.531 174.718 176.300 -0.085 0.000 1.663 17 R CA 0.064 56.107 56.100 -0.094 0.000 1.592 17 R CB 0.525 30.784 30.300 -0.068 0.000 1.200 17 R HN 0.600 nan 8.270 nan 0.000 0.611 18 I N 2.825 123.337 120.570 -0.097 0.000 2.331 18 I HA 0.261 4.335 4.170 -0.160 0.000 0.292 18 I C 0.337 176.388 176.117 -0.110 0.000 0.998 18 I CA -0.861 60.405 61.300 -0.057 0.000 1.267 18 I CB 1.221 39.232 38.000 0.019 0.000 1.386 18 I HN 0.191 nan 8.210 nan 0.000 0.476 19 I N 6.887 127.392 120.570 -0.107 0.000 2.396 19 I HA 0.287 4.361 4.170 -0.160 0.000 0.289 19 I C 0.452 176.431 176.117 -0.230 0.000 1.056 19 I CA 0.047 61.230 61.300 -0.196 0.000 1.365 19 I CB 0.027 37.940 38.000 -0.145 0.000 1.407 19 I HN 0.546 nan 8.210 nan 0.000 0.509 20 R N 5.223 125.462 120.500 -0.434 0.000 2.930 20 R HA 0.555 4.799 4.340 -0.160 0.000 0.257 20 R C -1.256 174.925 176.300 -0.199 0.000 1.107 20 R CA -0.929 54.998 56.100 -0.288 0.000 0.999 20 R CB 1.674 31.730 30.300 -0.408 0.000 1.209 20 R HN 0.292 nan 8.270 nan 0.000 0.486 21 Y N 0.385 120.908 120.300 0.372 0.000 2.446 21 Y HA 0.513 4.964 4.550 -0.165 0.000 0.338 21 Y C 0.067 176.463 175.900 0.826 0.000 1.055 21 Y CA -0.758 57.662 58.100 0.533 0.000 1.101 21 Y CB 1.422 40.081 38.460 0.331 0.000 1.221 21 Y HN 0.486 nan 8.280 nan 0.000 0.460 22 F N 0.162 120.489 119.950 0.628 0.000 2.626 22 F HA 0.572 5.002 4.527 -0.161 0.000 0.311 22 F C -1.995 174.038 175.800 0.387 0.000 1.088 22 F CA -2.025 56.260 58.000 0.475 0.000 0.949 22 F CB 0.904 39.962 39.000 0.096 0.000 1.322 22 F HN 0.386 nan 8.300 nan 0.000 0.461 23 Y N 3.275 123.628 120.300 0.088 0.000 2.350 23 Y HA 0.384 4.834 4.550 -0.166 0.000 0.340 23 Y C -0.365 175.424 175.900 -0.185 0.000 1.006 23 Y CA -0.721 57.307 58.100 -0.120 0.000 1.166 23 Y CB 0.474 38.947 38.460 0.022 0.000 1.168 23 Y HN 0.771 nan 8.280 nan 0.000 0.502 24 N N 5.071 123.238 118.700 -0.888 0.000 2.500 24 N HA 0.214 4.858 4.740 -0.160 0.000 0.236 24 N C 0.412 175.465 175.510 -0.762 0.000 1.022 24 N CA 0.439 53.150 53.050 -0.566 0.000 0.935 24 N CB 1.255 39.472 38.487 -0.450 0.000 1.147 24 N HN 0.878 nan 8.380 nan 0.000 0.512 25 A N 4.473 126.975 122.820 -0.530 0.000 1.972 25 A HA -0.150 4.074 4.320 -0.160 0.000 0.219 25 A C 2.082 179.556 177.584 -0.183 0.000 1.169 25 A CA 1.219 53.051 52.037 -0.342 0.000 0.635 25 A CB -0.306 18.704 19.000 0.016 0.000 0.810 25 A HN 0.743 nan 8.150 nan 0.000 0.446 26 K N -0.322 119.994 120.400 -0.139 0.000 2.001 26 K HA -0.071 4.153 4.320 -0.160 0.000 0.208 26 K C 2.123 178.665 176.600 -0.098 0.000 1.048 26 K CA 1.242 57.483 56.287 -0.077 0.000 0.932 26 K CB -0.305 32.170 32.500 -0.041 0.000 0.715 26 K HN 0.360 nan 8.250 nan 0.000 0.437 27 A N 0.006 122.740 122.820 -0.145 0.000 2.014 27 A HA 0.087 4.311 4.320 -0.160 0.000 0.218 27 A C 1.544 179.044 177.584 -0.139 0.000 1.163 27 A CA 1.418 53.378 52.037 -0.129 0.000 0.652 27 A CB -0.546 18.372 19.000 -0.137 0.000 0.808 27 A HN 0.631 nan 8.150 nan 0.000 0.449 28 G N -2.056 106.605 108.800 -0.232 0.000 2.143 28 G HA2 -0.199 3.665 3.960 -0.160 0.000 0.249 28 G HA3 -0.199 3.665 3.960 -0.160 0.000 0.249 28 G C 0.024 174.884 174.900 -0.067 0.000 0.981 28 G CA 0.601 45.627 45.100 -0.123 0.000 0.665 28 G HN 0.523 nan 8.290 nan 0.000 0.528 29 L N -1.314 119.787 121.223 -0.204 0.000 2.341 29 L HA 0.605 4.849 4.340 -0.160 0.000 0.254 29 L C 0.328 177.097 176.870 -0.168 0.000 1.040 29 L CA -1.273 53.518 54.840 -0.082 0.000 0.837 29 L CB 2.059 44.076 42.059 -0.070 0.000 1.425 29 L HN 0.131 nan 8.230 nan 0.000 0.414 30 c N 0.686 119.265 118.600 -0.036 0.000 2.463 30 c HA 0.504 4.978 4.570 -0.160 0.000 0.380 30 c C 0.160 174.229 174.090 -0.034 0.000 1.264 30 c CA -0.347 55.957 56.329 -0.041 0.000 2.161 30 c CB 0.783 43.339 42.510 0.077 0.000 2.515 30 c HN 0.644 nan 8.230 nan 0.000 0.565 31 Q N 0.309 119.988 119.800 -0.201 0.000 2.552 31 Q HA 0.573 4.817 4.340 -0.160 0.000 0.289 31 Q C -0.321 175.733 176.000 0.090 0.000 1.097 31 Q CA -0.549 55.212 55.803 -0.071 0.000 0.812 31 Q CB 2.064 30.709 28.738 -0.155 0.000 1.460 31 Q HN 0.811 nan 8.270 nan 0.000 0.452 32 T N -1.375 113.230 114.554 0.084 0.000 2.918 32 T HA 0.742 4.997 4.350 -0.160 0.000 0.283 32 T C -0.512 174.417 174.700 0.381 0.000 1.001 32 T CA -0.524 61.578 62.100 0.005 0.000 1.041 32 T CB 0.504 69.227 68.868 -0.241 0.000 1.028 32 T HN 0.488 nan 8.240 nan 0.000 0.511 33 F N -1.111 118.879 119.950 0.066 0.000 2.686 33 F HA 0.716 5.137 4.527 -0.177 0.000 0.311 33 F C -1.782 174.025 175.800 0.012 0.000 1.128 33 F CA -1.752 56.271 58.000 0.039 0.000 0.946 33 F CB 0.798 39.774 39.000 -0.040 0.000 1.336 33 F HN 0.456 nan 8.300 nan 0.000 0.457 34 V N 3.090 122.969 119.914 -0.059 0.000 2.406 34 V HA 0.248 4.273 4.120 -0.160 0.000 0.272 34 V C -1.018 174.974 176.094 -0.169 0.000 1.043 34 V CA -0.495 61.704 62.300 -0.167 0.000 0.915 34 V CB 0.715 32.504 31.823 -0.056 0.000 0.988 34 V HN 0.765 nan 8.190 nan 0.000 0.466 35 Y N 3.388 123.431 120.300 -0.428 0.000 2.360 35 Y HA 0.627 5.080 4.550 -0.161 0.000 0.337 35 Y C 1.135 176.948 175.900 -0.145 0.000 1.039 35 Y CA -0.814 57.126 58.100 -0.267 0.000 1.109 35 Y CB 2.002 40.253 38.460 -0.349 0.000 1.201 35 Y HN 0.608 nan 8.280 nan 0.000 0.458 36 G N 1.915 110.363 108.800 -0.586 0.000 2.572 36 G HA2 0.277 4.141 3.960 -0.160 0.000 0.216 36 G HA3 0.277 4.141 3.960 -0.160 0.000 0.216 36 G C 1.000 175.506 174.900 -0.657 0.000 1.133 36 G CA 0.392 45.184 45.100 -0.513 0.000 0.791 36 G HN 1.675 nan 8.290 nan 0.000 0.538 37 G N -1.846 106.163 108.800 -1.318 0.000 2.201 37 G HA2 -0.152 3.712 3.960 -0.160 0.000 0.212 37 G HA3 -0.152 3.712 3.960 -0.160 0.000 0.212 37 G C 0.322 174.981 174.900 -0.402 0.000 0.994 37 G CA 0.351 45.000 45.100 -0.750 0.000 0.644 37 G HN 1.533 nan 8.290 nan 0.000 0.508 38 c N -2.309 116.075 118.600 -0.361 0.000 3.241 38 c HA 0.881 5.355 4.570 -0.160 0.000 0.312 38 c C 0.704 174.926 174.090 0.221 0.000 1.350 38 c CA -0.362 55.988 56.329 0.035 0.000 1.415 38 c CB 1.896 44.403 42.510 -0.004 0.000 1.770 38 c HN 1.046 nan 8.230 nan 0.000 0.466 39 R N -0.601 120.042 120.500 0.239 0.000 3.531 39 R HA -0.137 4.107 4.340 -0.160 0.000 0.280 39 R C 0.370 176.895 176.300 0.376 0.000 1.130 39 R CA 1.134 57.393 56.100 0.264 0.000 0.757 39 R CB -2.368 28.102 30.300 0.285 0.000 1.218 39 R HN 1.695 nan 8.270 nan 0.000 0.454 40 A N 1.253 124.281 122.820 0.347 0.000 2.483 40 A HA 0.315 4.539 4.320 -0.160 0.000 0.238 40 A C 0.823 178.421 177.584 0.023 0.000 1.070 40 A CA 0.228 52.364 52.037 0.166 0.000 0.770 40 A CB 0.483 19.386 19.000 -0.163 0.000 1.008 40 A HN 0.111 nan 8.150 nan 0.000 0.497 41 K N 0.843 121.232 120.400 -0.018 0.000 2.148 41 K HA 0.302 4.526 4.320 -0.160 0.000 0.239 41 K C 1.293 177.742 176.600 -0.252 0.000 1.018 41 K CA -0.587 55.616 56.287 -0.141 0.000 0.923 41 K CB 0.420 32.846 32.500 -0.123 0.000 1.117 41 K HN 0.719 nan 8.250 nan 0.000 0.477 42 R N 0.102 120.375 120.500 -0.378 0.000 2.096 42 R HA -0.056 4.188 4.340 -0.160 0.000 0.235 42 R C 1.152 177.028 176.300 -0.706 0.000 1.127 42 R CA 1.411 57.074 56.100 -0.729 0.000 0.968 42 R CB -0.317 29.181 30.300 -1.336 0.000 0.861 42 R HN 0.663 nan 8.270 nan 0.000 0.440 43 G N 1.675 110.322 108.800 -0.255 0.000 3.458 43 G HA2 -0.015 3.849 3.960 -0.160 0.000 0.256 43 G HA3 -0.015 3.849 3.960 -0.160 0.000 0.256 43 G C -0.676 174.134 174.900 -0.150 0.000 0.938 43 G CA -0.303 44.805 45.100 0.013 0.000 1.890 43 G HN 0.072 nan 8.290 nan 0.000 0.639 44 N N 0.793 119.169 118.700 -0.540 0.000 2.558 44 N HA 0.404 5.048 4.740 -0.160 0.000 0.285 44 N C -1.565 173.690 175.510 -0.426 0.000 1.112 44 N CA -0.635 52.301 53.050 -0.189 0.000 0.857 44 N CB 1.051 39.426 38.487 -0.186 0.000 1.376 44 N HN -0.006 nan 8.380 nan 0.000 0.526 45 F N 1.466 121.579 119.950 0.271 0.000 2.522 45 F HA 0.488 4.947 4.527 -0.113 0.000 0.324 45 F C 1.689 177.633 175.800 0.241 0.000 1.077 45 F CA -0.803 57.326 58.000 0.215 0.000 0.944 45 F CB 2.041 41.178 39.000 0.228 0.000 1.175 45 F HN 0.236 nan 8.300 nan 0.000 0.468 46 K N 0.317 120.920 120.400 0.339 0.000 2.418 46 K HA 0.097 4.321 4.320 -0.160 0.000 0.195 46 K C -0.030 176.726 176.600 0.260 0.000 1.035 46 K CA 0.516 56.958 56.287 0.259 0.000 1.003 46 K CB 0.158 32.748 32.500 0.151 0.000 0.793 46 K HN 0.660 nan 8.250 nan 0.000 0.494 47 S N -2.160 113.616 115.700 0.127 0.000 2.596 47 S HA 0.525 4.899 4.470 -0.160 0.000 0.270 47 S C 0.462 174.659 174.600 -0.671 0.000 1.155 47 S CA -0.605 57.430 58.200 -0.274 0.000 0.827 47 S CB 1.746 64.864 63.200 -0.137 0.000 1.130 47 S HN -0.036 nan 8.310 nan 0.000 0.467 48 A N 0.868 123.025 122.820 -1.105 0.000 1.930 48 A HA 0.018 4.242 4.320 -0.160 0.000 0.217 48 A C 1.734 179.095 177.584 -0.372 0.000 1.175 48 A CA 1.815 53.384 52.037 -0.780 0.000 0.627 48 A CB -1.104 17.552 19.000 -0.574 0.000 0.815 48 A HN 0.887 nan 8.150 nan 0.000 0.443 49 E N 0.650 120.674 120.200 -0.293 0.000 2.051 49 E HA -0.154 4.100 4.350 -0.160 0.000 0.192 49 E C 1.522 178.009 176.600 -0.188 0.000 0.991 49 E CA 1.432 57.720 56.400 -0.188 0.000 0.799 49 E CB -0.286 29.338 29.700 -0.126 0.000 0.748 49 E HN 0.538 nan 8.360 nan 0.000 0.449 50 D N -0.151 120.152 120.400 -0.162 0.000 2.117 50 D HA -0.160 4.384 4.640 -0.160 0.000 0.197 50 D C 1.967 178.008 176.300 -0.431 0.000 0.987 50 D CA 0.933 54.861 54.000 -0.121 0.000 0.829 50 D CB -0.657 40.194 40.800 0.085 0.000 0.961 50 D HN 0.234 nan 8.370 nan 0.000 0.460 51 c N 0.513 118.733 118.600 -0.633 0.000 2.436 51 c HA -0.131 4.343 4.570 -0.160 0.000 0.277 51 c C 2.562 176.261 174.090 -0.651 0.000 1.241 51 c CA 0.617 56.236 56.329 -1.184 0.000 1.721 51 c CB -0.888 41.314 42.510 -0.513 0.000 2.043 51 c HN 0.244 nan 8.230 nan 0.000 0.472 52 M N 0.278 119.665 119.600 -0.355 0.000 2.175 52 M HA -0.062 4.322 4.480 -0.160 0.000 0.264 52 M C 2.224 178.382 176.300 -0.236 0.000 1.063 52 M CA 1.543 56.705 55.300 -0.231 0.000 1.119 52 M CB -1.296 31.220 32.600 -0.140 0.000 1.377 52 M HN 0.472 nan 8.290 nan 0.000 0.415 53 R N -1.002 119.364 120.500 -0.223 0.000 2.115 53 R HA -0.058 4.186 4.340 -0.160 0.000 0.230 53 R C 2.127 178.327 176.300 -0.165 0.000 1.111 53 R CA 1.618 57.623 56.100 -0.159 0.000 0.976 53 R CB -0.330 29.903 30.300 -0.111 0.000 0.870 53 R HN 0.350 nan 8.270 nan 0.000 0.445 54 T N -0.883 113.537 114.554 -0.224 0.000 2.901 54 T HA -0.031 4.223 4.350 -0.160 0.000 0.252 54 T C 1.738 176.285 174.700 -0.256 0.000 1.035 54 T CA 0.772 62.782 62.100 -0.151 0.000 1.142 54 T CB 0.074 68.948 68.868 0.011 0.000 0.869 54 T HN 0.302 nan 8.240 nan 0.000 0.442 55 c N 1.215 119.572 118.600 -0.406 0.000 2.865 55 c HA 0.490 4.964 4.570 -0.160 0.000 0.280 55 c C 1.839 175.432 174.090 -0.828 0.000 1.255 55 c CA -1.168 54.791 56.329 -0.618 0.000 1.705 55 c CB -0.945 41.176 42.510 -0.648 0.000 2.080 55 c HN 0.598 nan 8.230 nan 0.000 0.591 56 G N 0.000 108.485 108.800 -0.525 0.000 0.000 56 G HA2 0.000 3.864 3.960 -0.160 0.000 0.000 56 G HA3 0.000 3.864 3.960 -0.160 0.000 0.000 56 G CA 0.000 44.903 45.100 -0.329 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000