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 1bhc_1_H 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 0.000 176.151 176.300 -0.248 0.000 0.893 1 R CA 0.000 55.966 56.100 -0.223 0.000 0.921 1 R CB 0.000 30.124 30.300 -0.293 0.000 0.687 2 P HA 0.110 nan 4.420 nan 0.000 0.268 2 P C -0.254 176.769 177.300 -0.463 0.000 1.208 2 P CA -0.167 62.652 63.100 -0.467 0.000 0.777 2 P CB 0.580 31.741 31.700 -0.898 0.000 0.875 3 D N 0.099 120.338 120.400 -0.268 0.000 2.178 3 D HA -0.122 4.515 4.640 -0.005 0.000 0.202 3 D C 1.465 177.722 176.300 -0.073 0.000 0.974 3 D CA 0.928 54.854 54.000 -0.122 0.000 0.841 3 D CB -0.379 40.408 40.800 -0.021 0.000 0.953 3 D HN 0.492 nan 8.370 nan 0.000 0.478 4 F N -0.445 119.532 119.950 0.044 0.000 2.333 4 F HA -0.075 4.449 4.527 -0.006 0.000 0.300 4 F C 1.913 177.777 175.800 0.106 0.000 1.083 4 F CA 0.015 58.046 58.000 0.052 0.000 1.395 4 F CB -1.443 37.575 39.000 0.029 0.000 1.056 4 F HN -0.048 nan 8.300 nan 0.000 0.529 5 c N 1.106 119.622 118.600 -0.141 0.000 2.443 5 c HA -0.040 4.527 4.570 -0.005 0.000 0.290 5 c C 2.390 176.638 174.090 0.264 0.000 1.476 5 c CA 0.263 56.662 56.329 0.117 0.000 1.772 5 c CB -1.548 40.872 42.510 -0.150 0.000 1.714 5 c HN 0.506 nan 8.230 nan 0.000 0.562 6 L N 0.251 121.571 121.223 0.162 0.000 2.554 6 L HA 0.199 4.536 4.340 -0.005 0.000 0.225 6 L C 1.102 178.057 176.870 0.142 0.000 1.104 6 L CA 0.751 55.682 54.840 0.152 0.000 0.866 6 L CB -1.026 41.085 42.059 0.087 0.000 1.047 6 L HN 0.427 nan 8.230 nan 0.000 0.468 7 E N 1.927 122.222 120.200 0.159 0.000 2.398 7 E HA 0.117 4.464 4.350 -0.005 0.000 0.263 7 E C -2.045 174.616 176.600 0.102 0.000 1.046 7 E CA -1.508 54.957 56.400 0.109 0.000 0.908 7 E CB 0.244 30.004 29.700 0.100 0.000 0.963 7 E HN 0.088 nan 8.360 nan 0.000 0.431 8 P HA 0.173 nan 4.420 nan 0.000 0.278 8 P C -2.533 174.642 177.300 -0.208 0.000 1.258 8 P CA -1.699 61.371 63.100 -0.050 0.000 0.811 8 P CB 0.093 31.761 31.700 -0.054 0.000 1.063 9 P HA 0.039 nan 4.420 nan 0.000 0.268 9 P C -1.286 175.722 177.300 -0.486 0.000 1.205 9 P CA 0.375 62.895 63.100 -0.968 0.000 0.771 9 P CB 0.214 30.728 31.700 -1.977 0.000 0.858 10 Y N 1.487 121.511 120.300 -0.460 0.000 2.338 10 Y HA 0.244 4.791 4.550 -0.005 0.000 0.328 10 Y C 1.221 177.216 175.900 0.158 0.000 0.965 10 Y CA -0.149 57.881 58.100 -0.116 0.000 1.208 10 Y CB 1.307 39.732 38.460 -0.059 0.000 1.132 10 Y HN 0.266 nan 8.280 nan 0.000 0.469 11 T N 3.890 118.366 114.554 -0.131 0.000 2.904 11 T HA 0.258 4.605 4.350 -0.005 0.000 0.267 11 T C 0.717 175.295 174.700 -0.203 0.000 1.059 11 T CA 1.378 63.498 62.100 0.034 0.000 1.137 11 T CB -0.712 68.141 68.868 -0.025 0.000 0.879 11 T HN 1.177 nan 8.240 nan 0.000 0.467 12 G N 1.515 109.811 108.800 -0.840 0.000 2.756 12 G HA2 -0.126 3.831 3.960 -0.005 0.000 0.678 12 G HA3 -0.126 3.831 3.960 -0.005 0.000 0.678 12 G C -1.971 172.744 174.900 -0.309 0.000 1.349 12 G CA -0.325 44.375 45.100 -0.666 0.000 0.847 12 G HN 0.128 nan 8.290 nan 0.000 0.548 13 P HA 0.094 nan 4.420 nan 0.000 0.225 13 P C 1.264 178.509 177.300 -0.092 0.000 1.156 13 P CA 0.926 63.976 63.100 -0.083 0.000 0.787 13 P CB 0.008 31.699 31.700 -0.015 0.000 0.802 14 c N 1.375 119.904 118.600 -0.118 0.000 2.705 14 c HA 0.086 4.653 4.570 -0.005 0.000 0.382 14 c C 1.904 175.908 174.090 -0.143 0.000 1.322 14 c CA -0.047 56.203 56.329 -0.133 0.000 2.290 14 c CB 0.145 42.555 42.510 -0.166 0.000 2.650 14 c HN 0.235 nan 8.230 nan 0.000 0.695 15 K N 0.798 121.124 120.400 -0.123 0.000 2.374 15 K HA 0.374 4.691 4.320 -0.005 0.000 0.196 15 K C 0.436 176.968 176.600 -0.115 0.000 1.023 15 K CA 0.239 56.462 56.287 -0.105 0.000 1.103 15 K CB -0.405 32.050 32.500 -0.075 0.000 0.848 15 K HN 0.576 nan 8.250 nan 0.000 0.528 16 A N 1.864 124.594 122.820 -0.151 0.000 2.296 16 A HA 0.461 4.778 4.320 -0.005 0.000 0.264 16 A C -0.275 177.219 177.584 -0.149 0.000 1.097 16 A CA -0.576 51.376 52.037 -0.141 0.000 0.811 16 A CB 0.318 19.222 19.000 -0.161 0.000 1.072 16 A HN 0.265 nan 8.150 nan 0.000 0.495 17 R N 0.542 120.972 120.500 -0.116 0.000 2.585 17 R HA 0.356 4.692 4.340 -0.005 0.000 0.278 17 R C -1.732 174.509 176.300 -0.098 0.000 1.663 17 R CA -0.198 55.840 56.100 -0.104 0.000 1.592 17 R CB 0.382 30.638 30.300 -0.074 0.000 1.200 17 R HN 0.548 nan 8.270 nan 0.000 0.611 18 I N 1.961 122.461 120.570 -0.117 0.000 2.392 18 I HA 0.327 4.494 4.170 -0.005 0.000 0.295 18 I C 0.611 176.648 176.117 -0.133 0.000 0.985 18 I CA -0.614 60.633 61.300 -0.089 0.000 1.221 18 I CB 1.540 39.515 38.000 -0.041 0.000 1.366 18 I HN 0.269 nan 8.210 nan 0.000 0.467 19 I N 6.337 126.821 120.570 -0.142 0.000 2.441 19 I HA 0.282 4.449 4.170 -0.005 0.000 0.287 19 I C 0.176 176.107 176.117 -0.311 0.000 1.049 19 I CA -0.257 60.894 61.300 -0.248 0.000 1.381 19 I CB 0.153 38.031 38.000 -0.205 0.000 1.409 19 I HN 0.468 nan 8.210 nan 0.000 0.523 20 R N 4.968 125.147 120.500 -0.535 0.000 2.855 20 R HA 0.522 4.859 4.340 -0.005 0.000 0.266 20 R C -1.487 174.601 176.300 -0.354 0.000 1.034 20 R CA -1.040 54.818 56.100 -0.402 0.000 0.944 20 R CB 1.670 31.670 30.300 -0.499 0.000 1.219 20 R HN 0.318 nan 8.270 nan 0.000 0.474 21 Y N 0.484 120.968 120.300 0.306 0.000 2.496 21 Y HA 0.607 5.155 4.550 -0.002 0.000 0.331 21 Y C 0.192 176.566 175.900 0.790 0.000 1.140 21 Y CA -0.761 57.634 58.100 0.492 0.000 1.166 21 Y CB 1.299 39.950 38.460 0.318 0.000 1.249 21 Y HN 0.504 nan 8.280 nan 0.000 0.479 22 F N -0.455 119.872 119.950 0.630 0.000 2.631 22 F HA 0.521 5.045 4.527 -0.004 0.000 0.308 22 F C -1.998 174.046 175.800 0.407 0.000 1.097 22 F CA -1.988 56.308 58.000 0.493 0.000 0.952 22 F CB 0.761 39.852 39.000 0.151 0.000 1.307 22 F HN 0.386 nan 8.300 nan 0.000 0.450 23 Y N 3.485 123.885 120.300 0.167 0.000 2.393 23 Y HA 0.348 4.896 4.550 -0.005 0.000 0.338 23 Y C -0.162 175.655 175.900 -0.139 0.000 1.029 23 Y CA -0.513 57.557 58.100 -0.050 0.000 1.239 23 Y CB 0.400 38.906 38.460 0.078 0.000 1.170 23 Y HN 0.759 nan 8.280 nan 0.000 0.515 24 N N 5.259 123.440 118.700 -0.865 0.000 2.558 24 N HA 0.199 4.936 4.740 -0.005 0.000 0.233 24 N C 0.564 175.642 175.510 -0.719 0.000 1.038 24 N CA 0.512 53.219 53.050 -0.571 0.000 0.934 24 N CB 1.060 39.264 38.487 -0.471 0.000 1.175 24 N HN 0.907 nan 8.380 nan 0.000 0.512 25 A N 4.627 127.171 122.820 -0.459 0.000 1.892 25 A HA -0.198 4.119 4.320 -0.005 0.000 0.218 25 A C 2.053 179.538 177.584 -0.166 0.000 1.188 25 A CA 1.468 53.354 52.037 -0.251 0.000 0.631 25 A CB -0.322 18.701 19.000 0.039 0.000 0.822 25 A HN 0.723 nan 8.150 nan 0.000 0.447 26 K N -0.892 119.444 120.400 -0.108 0.000 2.103 26 K HA -0.114 4.203 4.320 -0.005 0.000 0.207 26 K C 2.019 178.567 176.600 -0.086 0.000 1.048 26 K CA 1.298 57.547 56.287 -0.064 0.000 0.930 26 K CB -0.240 32.242 32.500 -0.029 0.000 0.716 26 K HN 0.491 nan 8.250 nan 0.000 0.444 27 A N -0.072 122.660 122.820 -0.147 0.000 2.147 27 A HA 0.203 4.520 4.320 -0.005 0.000 0.211 27 A C 1.174 178.662 177.584 -0.160 0.000 1.160 27 A CA 0.670 52.627 52.037 -0.133 0.000 0.781 27 A CB 0.025 18.943 19.000 -0.136 0.000 0.842 27 A HN 0.361 nan 8.150 nan 0.000 0.475 28 G N -0.618 108.023 108.800 -0.266 0.000 2.338 28 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.296 28 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.296 28 G C -0.255 174.560 174.900 -0.142 0.000 1.040 28 G CA 0.723 45.713 45.100 -0.184 0.000 1.004 28 G HN 0.649 nan 8.290 nan 0.000 0.509 29 L N -1.530 119.476 121.223 -0.361 0.000 2.622 29 L HA 0.489 4.826 4.340 -0.005 0.000 0.258 29 L C -0.063 176.652 176.870 -0.258 0.000 0.996 29 L CA -0.626 54.116 54.840 -0.164 0.000 0.858 29 L CB 2.009 43.988 42.059 -0.134 0.000 1.449 29 L HN 0.222 nan 8.230 nan 0.000 0.411 30 c N 1.411 119.970 118.600 -0.068 0.000 2.401 30 c HA 0.641 5.208 4.570 -0.005 0.000 0.365 30 c C 0.224 174.269 174.090 -0.074 0.000 1.250 30 c CA -0.319 55.970 56.329 -0.066 0.000 2.131 30 c CB 1.273 43.830 42.510 0.079 0.000 2.445 30 c HN 0.684 nan 8.230 nan 0.000 0.550 31 Q N 0.159 119.840 119.800 -0.198 0.000 2.605 31 Q HA 0.549 4.886 4.340 -0.005 0.000 0.296 31 Q C -0.513 175.628 176.000 0.236 0.000 1.056 31 Q CA -0.590 55.204 55.803 -0.016 0.000 0.778 31 Q CB 2.037 30.694 28.738 -0.134 0.000 1.497 31 Q HN 0.800 nan 8.270 nan 0.000 0.443 32 T N -1.372 113.326 114.554 0.240 0.000 2.902 32 T HA 0.780 5.127 4.350 -0.005 0.000 0.280 32 T C -0.490 174.472 174.700 0.437 0.000 0.992 32 T CA -0.498 61.684 62.100 0.136 0.000 1.015 32 T CB 0.557 69.359 68.868 -0.109 0.000 1.044 32 T HN 0.526 nan 8.240 nan 0.000 0.520 33 F N -1.636 118.354 119.950 0.067 0.000 2.719 33 F HA 0.624 5.147 4.527 -0.006 0.000 0.309 33 F C -1.924 173.870 175.800 -0.011 0.000 1.138 33 F CA -1.665 56.340 58.000 0.008 0.000 0.943 33 F CB 0.729 39.651 39.000 -0.131 0.000 1.304 33 F HN 0.455 nan 8.300 nan 0.000 0.445 34 V N 3.701 123.577 119.914 -0.064 0.000 2.408 34 V HA 0.168 4.285 4.120 -0.005 0.000 0.267 34 V C -0.821 175.212 176.094 -0.102 0.000 1.047 34 V CA -0.347 61.866 62.300 -0.146 0.000 0.937 34 V CB 0.369 32.166 31.823 -0.043 0.000 0.999 34 V HN 0.711 nan 8.190 nan 0.000 0.472 35 Y N 3.877 123.935 120.300 -0.403 0.000 2.323 35 Y HA 0.578 5.126 4.550 -0.005 0.000 0.331 35 Y C 1.202 177.024 175.900 -0.131 0.000 1.092 35 Y CA -1.002 56.955 58.100 -0.239 0.000 1.150 35 Y CB 1.819 40.085 38.460 -0.323 0.000 1.200 35 Y HN 0.584 nan 8.280 nan 0.000 0.472 36 G N 2.059 110.577 108.800 -0.469 0.000 2.650 36 G HA2 0.278 4.235 3.960 -0.005 0.000 0.214 36 G HA3 0.278 4.235 3.960 -0.005 0.000 0.214 36 G C 0.999 175.512 174.900 -0.644 0.000 1.136 36 G CA 0.406 45.228 45.100 -0.463 0.000 0.789 36 G HN 1.589 nan 8.290 nan 0.000 0.536 37 G N -1.842 106.160 108.800 -1.329 0.000 2.211 37 G HA2 -0.129 3.828 3.960 -0.005 0.000 0.201 37 G HA3 -0.129 3.828 3.960 -0.005 0.000 0.201 37 G C 0.332 174.966 174.900 -0.443 0.000 0.997 37 G CA 0.306 44.922 45.100 -0.807 0.000 0.652 37 G HN 1.618 nan 8.290 nan 0.000 0.500 38 c N -2.537 115.857 118.600 -0.344 0.000 3.311 38 c HA 0.841 5.408 4.570 -0.005 0.000 0.325 38 c C 0.500 174.717 174.090 0.212 0.000 1.352 38 c CA -0.297 56.053 56.329 0.035 0.000 1.308 38 c CB 1.413 43.916 42.510 -0.011 0.000 1.619 38 c HN 1.246 nan 8.230 nan 0.000 0.469 39 R N -0.167 120.466 120.500 0.222 0.000 3.422 39 R HA -0.006 4.331 4.340 -0.005 0.000 0.267 39 R C 0.284 176.805 176.300 0.370 0.000 1.074 39 R CA 1.063 57.315 56.100 0.254 0.000 0.718 39 R CB -2.063 28.402 30.300 0.275 0.000 1.157 39 R HN 1.828 nan 8.270 nan 0.000 0.440 40 A N 0.451 123.455 122.820 0.306 0.000 2.425 40 A HA 0.436 4.753 4.320 -0.005 0.000 0.242 40 A C 0.504 178.104 177.584 0.026 0.000 1.077 40 A CA 0.145 52.277 52.037 0.158 0.000 0.781 40 A CB 0.475 19.383 19.000 -0.154 0.000 1.020 40 A HN 0.284 nan 8.150 nan 0.000 0.494 41 K N 0.024 120.411 120.400 -0.021 0.000 2.245 41 K HA 0.367 4.684 4.320 -0.005 0.000 0.234 41 K C 0.874 177.339 176.600 -0.225 0.000 1.021 41 K CA -1.062 55.145 56.287 -0.135 0.000 0.898 41 K CB 0.823 33.232 32.500 -0.152 0.000 1.163 41 K HN 0.599 nan 8.250 nan 0.000 0.459 42 R N 0.675 120.992 120.500 -0.304 0.000 2.105 42 R HA -0.121 4.216 4.340 -0.005 0.000 0.239 42 R C 0.768 176.718 176.300 -0.583 0.000 1.135 42 R CA 1.049 56.784 56.100 -0.609 0.000 0.967 42 R CB -0.547 29.203 30.300 -0.916 0.000 0.861 42 R HN 0.487 nan 8.270 nan 0.000 0.442 43 N N 2.251 120.863 118.700 -0.146 0.000 3.050 43 N HA -0.042 4.694 4.740 -0.005 0.000 0.289 43 N C -1.190 174.320 175.510 0.001 0.000 1.209 43 N CA 0.154 53.269 53.050 0.108 0.000 1.154 43 N CB -0.487 38.189 38.487 0.316 0.000 1.444 43 N HN 0.084 nan 8.380 nan 0.000 0.529 44 N N 2.428 120.925 118.700 -0.337 0.000 2.655 44 N HA 0.162 4.899 4.740 -0.005 0.000 0.277 44 N C -1.932 173.324 175.510 -0.423 0.000 1.177 44 N CA -0.273 52.712 53.050 -0.108 0.000 0.882 44 N CB 0.149 38.543 38.487 -0.154 0.000 1.481 44 N HN -0.031 nan 8.380 nan 0.000 0.547 45 F N 2.000 122.100 119.950 0.250 0.000 2.482 45 F HA 0.436 4.961 4.527 -0.003 0.000 0.331 45 F C 1.721 177.662 175.800 0.235 0.000 1.115 45 F CA -0.828 57.291 58.000 0.199 0.000 0.955 45 F CB 2.295 41.424 39.000 0.214 0.000 1.136 45 F HN 0.382 nan 8.300 nan 0.000 0.452 46 K N 0.943 121.522 120.400 0.299 0.000 2.217 46 K HA -0.021 4.296 4.320 -0.005 0.000 0.202 46 K C 0.514 177.296 176.600 0.303 0.000 1.051 46 K CA 0.732 57.166 56.287 0.245 0.000 0.952 46 K CB 0.200 32.788 32.500 0.146 0.000 0.736 46 K HN 0.515 nan 8.250 nan 0.000 0.453 47 S N -1.080 114.766 115.700 0.242 0.000 2.473 47 S HA 0.492 4.959 4.470 -0.005 0.000 0.307 47 S C 0.598 175.101 174.600 -0.163 0.000 1.094 47 S CA -0.404 57.831 58.200 0.057 0.000 1.070 47 S CB 1.805 65.026 63.200 0.034 0.000 1.019 47 S HN 0.260 nan 8.310 nan 0.000 0.480 48 A N 3.551 126.004 122.820 -0.610 0.000 1.902 48 A HA -0.061 4.256 4.320 -0.005 0.000 0.217 48 A C 1.944 179.295 177.584 -0.388 0.000 1.181 48 A CA 1.830 53.361 52.037 -0.843 0.000 0.623 48 A CB -1.077 17.313 19.000 -1.016 0.000 0.818 48 A HN 1.020 nan 8.150 nan 0.000 0.443 49 E N -0.030 120.013 120.200 -0.262 0.000 2.097 49 E HA -0.290 4.057 4.350 -0.005 0.000 0.196 49 E C 1.228 177.716 176.600 -0.188 0.000 1.000 49 E CA 1.708 58.002 56.400 -0.177 0.000 0.804 49 E CB -0.220 29.412 29.700 -0.113 0.000 0.740 49 E HN 0.538 nan 8.360 nan 0.000 0.454 50 D N 0.208 120.507 120.400 -0.168 0.000 2.144 50 D HA -0.156 4.481 4.640 -0.005 0.000 0.199 50 D C 1.987 177.962 176.300 -0.542 0.000 0.984 50 D CA 1.095 54.986 54.000 -0.182 0.000 0.834 50 D CB -0.790 40.030 40.800 0.032 0.000 0.955 50 D HN 0.276 nan 8.370 nan 0.000 0.465 51 c N 0.503 118.663 118.600 -0.734 0.000 2.442 51 c HA -0.124 4.443 4.570 -0.005 0.000 0.279 51 c C 2.525 176.253 174.090 -0.603 0.000 1.237 51 c CA 0.603 56.232 56.329 -1.167 0.000 1.722 51 c CB -0.860 41.381 42.510 -0.449 0.000 2.056 51 c HN 0.246 nan 8.230 nan 0.000 0.469 52 M N 0.236 119.637 119.600 -0.332 0.000 2.296 52 M HA -0.058 4.419 4.480 -0.005 0.000 0.265 52 M C 2.276 178.443 176.300 -0.223 0.000 1.064 52 M CA 1.335 56.509 55.300 -0.210 0.000 1.109 52 M CB -1.366 31.158 32.600 -0.128 0.000 1.396 52 M HN 0.541 nan 8.290 nan 0.000 0.430 53 R N -0.852 119.509 120.500 -0.231 0.000 2.093 53 R HA -0.066 4.271 4.340 -0.005 0.000 0.224 53 R C 1.838 178.031 176.300 -0.179 0.000 1.101 53 R CA 1.610 57.608 56.100 -0.170 0.000 0.979 53 R CB 0.044 30.270 30.300 -0.124 0.000 0.877 53 R HN 0.225 nan 8.270 nan 0.000 0.441 54 T N -0.666 113.753 114.554 -0.226 0.000 2.851 54 T HA -0.068 4.279 4.350 -0.005 0.000 0.262 54 T C 1.644 176.211 174.700 -0.222 0.000 1.043 54 T CA 1.172 63.191 62.100 -0.136 0.000 1.140 54 T CB -0.002 68.876 68.868 0.016 0.000 0.872 54 T HN 0.360 nan 8.240 nan 0.000 0.446 55 c N 0.832 119.212 118.600 -0.366 0.000 3.019 55 c HA 0.490 5.057 4.570 -0.005 0.000 0.295 55 c C 1.819 175.396 174.090 -0.856 0.000 1.256 55 c CA -1.168 54.799 56.329 -0.603 0.000 1.706 55 c CB -0.855 41.273 42.510 -0.636 0.000 2.153 55 c HN 0.588 nan 8.230 nan 0.000 0.618 56 G N 0.000 108.489 108.800 -0.518 0.000 0.000 56 G HA2 0.000 3.957 3.960 -0.005 0.000 0.000 56 G HA3 0.000 3.957 3.960 -0.005 0.000 0.000 56 G CA 0.000 44.908 45.100 -0.321 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000