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 3tgk_1_I 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 0.000 176.169 176.300 -0.218 0.000 0.893 1 R CA 0.000 55.984 56.100 -0.193 0.000 0.921 1 R CB 0.000 30.131 30.300 -0.281 0.000 0.687 2 P HA 0.077 nan 4.420 nan 0.000 0.267 2 P C -0.093 176.960 177.300 -0.413 0.000 1.200 2 P CA -0.067 62.801 63.100 -0.386 0.000 0.772 2 P CB 0.543 31.858 31.700 -0.640 0.000 0.855 3 D N 1.866 122.137 120.400 -0.214 0.000 2.149 3 D HA -0.236 4.404 4.640 -0.000 0.000 0.198 3 D C 1.437 177.695 176.300 -0.071 0.000 0.990 3 D CA 1.335 55.274 54.000 -0.101 0.000 0.839 3 D CB -1.023 39.775 40.800 -0.003 0.000 0.948 3 D HN 0.520 nan 8.370 nan 0.000 0.460 4 F N 0.398 120.364 119.950 0.027 0.000 2.451 4 F HA 0.073 4.600 4.527 -0.000 0.000 0.299 4 F C 1.840 177.692 175.800 0.087 0.000 1.101 4 F CA -0.428 57.593 58.000 0.036 0.000 1.436 4 F CB -1.123 37.886 39.000 0.015 0.000 1.074 4 F HN -0.002 nan 8.300 nan 0.000 0.553 5 c N 1.091 119.508 118.600 -0.305 0.000 2.481 5 c HA 0.111 4.681 4.570 -0.000 0.000 0.275 5 c C 2.518 176.713 174.090 0.175 0.000 1.419 5 c CA 0.334 56.634 56.329 -0.049 0.000 1.773 5 c CB -1.389 40.910 42.510 -0.352 0.000 1.862 5 c HN 0.591 nan 8.230 nan 0.000 0.530 6 L N -0.077 121.201 121.223 0.092 0.000 2.567 6 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 6 L C 0.781 177.729 176.870 0.129 0.000 1.119 6 L CA 0.441 55.359 54.840 0.130 0.000 0.871 6 L CB -0.371 41.727 42.059 0.064 0.000 1.036 6 L HN 0.253 nan 8.230 nan 0.000 0.459 7 E N 1.975 122.257 120.200 0.137 0.000 2.366 7 E HA 0.226 4.576 4.350 -0.000 0.000 0.266 7 E C -2.092 174.569 176.600 0.102 0.000 1.051 7 E CA -1.940 54.522 56.400 0.103 0.000 0.884 7 E CB 0.608 30.363 29.700 0.092 0.000 1.006 7 E HN -0.053 nan 8.360 nan 0.000 0.417 8 P HA 0.139 nan 4.420 nan 0.000 0.272 8 P C -2.428 174.756 177.300 -0.193 0.000 1.230 8 P CA -1.176 61.898 63.100 -0.043 0.000 0.788 8 P CB -0.508 31.163 31.700 -0.048 0.000 0.949 9 P HA 0.017 nan 4.420 nan 0.000 0.269 9 P C -1.146 175.845 177.300 -0.514 0.000 1.209 9 P CA 0.378 62.879 63.100 -0.998 0.000 0.776 9 P CB 0.175 30.599 31.700 -2.127 0.000 0.876 10 Y N 1.442 121.462 120.300 -0.468 0.000 2.345 10 Y HA 0.227 4.778 4.550 0.000 0.000 0.331 10 Y C 1.347 177.370 175.900 0.205 0.000 0.959 10 Y CA -0.063 57.981 58.100 -0.093 0.000 1.204 10 Y CB 1.107 39.550 38.460 -0.029 0.000 1.135 10 Y HN 0.276 nan 8.280 nan 0.000 0.477 11 T N 3.902 118.384 114.554 -0.119 0.000 2.821 11 T HA 0.221 4.571 4.350 -0.000 0.000 0.267 11 T C 0.716 175.279 174.700 -0.229 0.000 1.046 11 T CA 1.530 63.634 62.100 0.008 0.000 1.139 11 T CB -0.746 68.083 68.868 -0.064 0.000 0.871 11 T HN 1.165 nan 8.240 nan 0.000 0.454 12 G N 1.235 109.550 108.800 -0.808 0.000 2.756 12 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.678 12 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.678 12 G C -2.104 172.609 174.900 -0.311 0.000 1.349 12 G CA -0.308 44.424 45.100 -0.613 0.000 0.847 12 G HN 0.151 nan 8.290 nan 0.000 0.548 13 P HA 0.179 nan 4.420 nan 0.000 0.235 13 P C 1.053 178.292 177.300 -0.103 0.000 1.177 13 P CA 0.649 63.692 63.100 -0.095 0.000 0.785 13 P CB 0.106 31.789 31.700 -0.027 0.000 0.885 14 c N 1.073 119.594 118.600 -0.132 0.000 2.656 14 c HA 0.188 4.758 4.570 -0.000 0.000 0.391 14 c C 1.519 175.515 174.090 -0.157 0.000 1.300 14 c CA -0.073 56.172 56.329 -0.140 0.000 2.302 14 c CB -0.219 42.189 42.510 -0.170 0.000 2.655 14 c HN 0.192 nan 8.230 nan 0.000 0.656 15 K N 1.123 121.447 120.400 -0.126 0.000 2.814 15 K HA 0.367 4.686 4.320 -0.000 0.000 0.213 15 K C 0.293 176.824 176.600 -0.114 0.000 1.113 15 K CA -0.086 56.134 56.287 -0.113 0.000 1.145 15 K CB 0.335 32.787 32.500 -0.079 0.000 0.948 15 K HN 0.730 nan 8.250 nan 0.000 0.464 16 A N 1.280 124.009 122.820 -0.151 0.000 2.246 16 A HA 0.442 4.762 4.320 -0.000 0.000 0.291 16 A C -0.189 177.312 177.584 -0.138 0.000 1.103 16 A CA -0.507 51.449 52.037 -0.135 0.000 0.844 16 A CB 0.571 19.478 19.000 -0.155 0.000 1.136 16 A HN 0.280 nan 8.150 nan 0.000 0.500 17 R N 1.038 121.473 120.500 -0.108 0.000 2.443 17 R HA 0.463 4.803 4.340 -0.000 0.000 0.287 17 R C -1.958 174.289 176.300 -0.089 0.000 1.425 17 R CA -0.063 55.979 56.100 -0.096 0.000 1.300 17 R CB -0.072 30.186 30.300 -0.069 0.000 1.129 17 R HN 0.660 nan 8.270 nan 0.000 0.577 18 I N 5.202 125.709 120.570 -0.105 0.000 2.389 18 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 18 I C 0.336 176.382 176.117 -0.119 0.000 0.999 18 I CA -0.911 60.347 61.300 -0.069 0.000 1.129 18 I CB 1.843 39.841 38.000 -0.004 0.000 1.288 18 I HN 0.253 nan 8.210 nan 0.000 0.444 19 I N 6.606 127.097 120.570 -0.131 0.000 2.396 19 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 19 I C 0.407 176.361 176.117 -0.272 0.000 1.056 19 I CA -0.041 61.126 61.300 -0.221 0.000 1.365 19 I CB 0.001 37.895 38.000 -0.178 0.000 1.407 19 I HN 0.535 nan 8.210 nan 0.000 0.509 20 R N 5.037 125.264 120.500 -0.456 0.000 2.912 20 R HA 0.549 4.889 4.340 -0.000 0.000 0.262 20 R C -1.231 174.953 176.300 -0.193 0.000 1.057 20 R CA -0.953 54.955 56.100 -0.320 0.000 0.981 20 R CB 1.737 31.792 30.300 -0.409 0.000 1.201 20 R HN 0.305 nan 8.270 nan 0.000 0.484 21 Y N 0.463 120.958 120.300 0.325 0.000 2.420 21 Y HA 0.510 5.060 4.550 -0.000 0.000 0.334 21 Y C 0.151 176.547 175.900 0.827 0.000 1.094 21 Y CA -0.688 57.718 58.100 0.510 0.000 1.126 21 Y CB 1.281 39.938 38.460 0.330 0.000 1.217 21 Y HN 0.467 nan 8.280 nan 0.000 0.462 22 F N 0.100 120.450 119.950 0.666 0.000 2.613 22 F HA 0.534 5.061 4.527 -0.000 0.000 0.310 22 F C -1.847 174.198 175.800 0.408 0.000 1.085 22 F CA -2.073 56.239 58.000 0.521 0.000 0.945 22 F CB 0.738 39.823 39.000 0.142 0.000 1.298 22 F HN 0.410 nan 8.300 nan 0.000 0.455 23 Y N 3.265 123.667 120.300 0.171 0.000 2.359 23 Y HA 0.370 4.920 4.550 0.000 0.000 0.334 23 Y C -0.332 175.450 175.900 -0.197 0.000 1.058 23 Y CA -0.260 57.792 58.100 -0.079 0.000 1.244 23 Y CB 0.497 38.984 38.460 0.044 0.000 1.187 23 Y HN 0.789 nan 8.280 nan 0.000 0.510 24 N N 5.024 123.163 118.700 -0.936 0.000 2.527 24 N HA 0.263 5.003 4.740 -0.000 0.000 0.236 24 N C 0.434 175.539 175.510 -0.674 0.000 0.999 24 N CA 0.379 53.062 53.050 -0.610 0.000 0.935 24 N CB 1.175 39.341 38.487 -0.535 0.000 1.132 24 N HN 0.872 nan 8.380 nan 0.000 0.511 25 A N 4.208 126.849 122.820 -0.298 0.000 1.917 25 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 25 A C 2.231 179.756 177.584 -0.098 0.000 1.182 25 A CA 2.496 54.478 52.037 -0.091 0.000 0.633 25 A CB -0.978 18.083 19.000 0.103 0.000 0.819 25 A HN 0.702 nan 8.150 nan 0.000 0.448 26 K N -0.785 119.569 120.400 -0.076 0.000 2.097 26 K HA 0.257 4.577 4.320 -0.000 0.000 0.205 26 K C 2.265 178.816 176.600 -0.082 0.000 1.050 26 K CA 1.882 58.140 56.287 -0.049 0.000 0.938 26 K CB -1.174 31.315 32.500 -0.017 0.000 0.718 26 K HN 0.949 nan 8.250 nan 0.000 0.442 27 A N -1.099 121.632 122.820 -0.148 0.000 2.021 27 A HA 0.428 4.748 4.320 -0.000 0.000 0.216 27 A C 2.291 179.771 177.584 -0.173 0.000 1.163 27 A CA 1.414 53.361 52.037 -0.150 0.000 0.676 27 A CB -0.365 18.530 19.000 -0.175 0.000 0.818 27 A HN 1.594 nan 8.150 nan 0.000 0.453 28 G N -1.506 107.134 108.800 -0.267 0.000 2.159 28 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.256 28 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.256 28 G C 0.094 174.869 174.900 -0.209 0.000 0.977 28 G CA 0.562 45.557 45.100 -0.174 0.000 0.652 28 G HN 1.304 nan 8.290 nan 0.000 0.531 29 L N -3.459 117.517 121.223 -0.411 0.000 2.510 29 L HA 0.806 5.146 4.340 -0.000 0.000 0.252 29 L C 0.049 176.684 176.870 -0.391 0.000 1.091 29 L CA -1.188 53.494 54.840 -0.263 0.000 0.888 29 L CB 0.478 42.463 42.059 -0.124 0.000 1.507 29 L HN 0.110 nan 8.230 nan 0.000 0.407 30 c N 0.579 119.077 118.600 -0.169 0.000 2.388 30 c HA 0.695 5.265 4.570 -0.000 0.000 0.362 30 c C 0.409 174.449 174.090 -0.082 0.000 1.266 30 c CA -0.158 56.085 56.329 -0.144 0.000 2.028 30 c CB 0.923 43.443 42.510 0.017 0.000 2.440 30 c HN 0.717 nan 8.230 nan 0.000 0.547 31 Q N 0.373 120.058 119.800 -0.191 0.000 2.668 31 Q HA 0.605 4.945 4.340 -0.000 0.000 0.298 31 Q C -0.505 175.643 176.000 0.246 0.000 1.071 31 Q CA -0.618 55.192 55.803 0.012 0.000 0.789 31 Q CB 1.889 30.575 28.738 -0.087 0.000 1.497 31 Q HN 0.791 nan 8.270 nan 0.000 0.460 32 T N -1.209 113.475 114.554 0.216 0.000 2.934 32 T HA 0.768 5.118 4.350 -0.000 0.000 0.283 32 T C -0.513 174.438 174.700 0.418 0.000 1.005 32 T CA -0.572 61.604 62.100 0.126 0.000 1.041 32 T CB 0.574 69.338 68.868 -0.173 0.000 1.042 32 T HN 0.518 nan 8.240 nan 0.000 0.505 33 F N -1.265 118.746 119.950 0.101 0.000 2.686 33 F HA 0.712 5.239 4.527 -0.000 0.000 0.311 33 F C -1.838 173.966 175.800 0.006 0.000 1.128 33 F CA -1.713 56.302 58.000 0.025 0.000 0.946 33 F CB 0.835 39.756 39.000 -0.133 0.000 1.336 33 F HN 0.437 nan 8.300 nan 0.000 0.457 34 V N 3.200 123.098 119.914 -0.025 0.000 2.385 34 V HA 0.203 4.323 4.120 -0.000 0.000 0.269 34 V C -0.974 175.048 176.094 -0.119 0.000 1.043 34 V CA -0.442 61.772 62.300 -0.144 0.000 0.906 34 V CB 0.515 32.313 31.823 -0.041 0.000 0.995 34 V HN 0.731 nan 8.190 nan 0.000 0.467 35 Y N 3.726 123.766 120.300 -0.433 0.000 2.323 35 Y HA 0.599 5.149 4.550 -0.000 0.000 0.331 35 Y C 1.190 177.012 175.900 -0.129 0.000 1.092 35 Y CA -0.848 57.103 58.100 -0.248 0.000 1.150 35 Y CB 1.897 40.149 38.460 -0.347 0.000 1.200 35 Y HN 0.596 nan 8.280 nan 0.000 0.472 36 G N 2.061 110.505 108.800 -0.593 0.000 2.650 36 G HA2 0.273 4.232 3.960 -0.000 0.000 0.214 36 G HA3 0.273 4.232 3.960 -0.000 0.000 0.214 36 G C 1.015 175.508 174.900 -0.678 0.000 1.136 36 G CA 0.384 45.163 45.100 -0.536 0.000 0.789 36 G HN 1.661 nan 8.290 nan 0.000 0.536 37 G N -1.835 106.173 108.800 -1.320 0.000 2.201 37 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.212 37 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.212 37 G C 0.324 175.011 174.900 -0.356 0.000 0.994 37 G CA 0.329 45.017 45.100 -0.686 0.000 0.644 37 G HN 1.605 nan 8.290 nan 0.000 0.508 38 c N -2.450 115.947 118.600 -0.338 0.000 3.239 38 c HA 0.826 5.396 4.570 -0.000 0.000 0.317 38 c C 0.704 174.922 174.090 0.213 0.000 1.310 38 c CA -0.242 56.109 56.329 0.037 0.000 1.371 38 c CB 1.259 43.764 42.510 -0.009 0.000 1.714 38 c HN 1.142 nan 8.230 nan 0.000 0.473 39 R N 0.061 120.704 120.500 0.238 0.000 3.422 39 R HA -0.070 4.270 4.340 -0.000 0.000 0.267 39 R C 0.484 177.003 176.300 0.365 0.000 1.074 39 R CA 0.835 57.087 56.100 0.255 0.000 0.718 39 R CB -1.855 28.593 30.300 0.247 0.000 1.157 39 R HN 1.543 nan 8.270 nan 0.000 0.440 40 A N 1.007 124.027 122.820 0.333 0.000 2.483 40 A HA 0.219 4.539 4.320 -0.000 0.000 0.238 40 A C 0.648 178.250 177.584 0.030 0.000 1.070 40 A CA 0.392 52.520 52.037 0.151 0.000 0.770 40 A CB 0.408 19.261 19.000 -0.246 0.000 1.008 40 A HN 0.306 nan 8.150 nan 0.000 0.497 41 K N 0.309 120.712 120.400 0.004 0.000 2.240 41 K HA 0.334 4.654 4.320 -0.000 0.000 0.237 41 K C 1.052 177.531 176.600 -0.200 0.000 1.027 41 K CA -0.778 55.433 56.287 -0.126 0.000 0.937 41 K CB 0.816 33.227 32.500 -0.149 0.000 1.171 41 K HN 0.674 nan 8.250 nan 0.000 0.479 42 R N 0.446 120.775 120.500 -0.285 0.000 2.148 42 R HA -0.064 4.276 4.340 -0.000 0.000 0.227 42 R C 0.721 176.770 176.300 -0.419 0.000 1.103 42 R CA 0.682 56.467 56.100 -0.525 0.000 0.983 42 R CB -0.164 29.485 30.300 -1.083 0.000 0.874 42 R HN 0.337 nan 8.270 nan 0.000 0.451 43 N N 1.882 120.552 118.700 -0.050 0.000 3.254 43 N HA -0.037 4.703 4.740 -0.000 0.000 0.308 43 N C -1.351 174.171 175.510 0.022 0.000 1.281 43 N CA 0.136 53.282 53.050 0.159 0.000 1.212 43 N CB -0.305 38.388 38.487 0.343 0.000 1.478 43 N HN 0.082 nan 8.380 nan 0.000 0.548 44 N N 1.961 120.423 118.700 -0.396 0.000 2.572 44 N HA 0.189 4.929 4.740 -0.000 0.000 0.287 44 N C -1.878 173.348 175.510 -0.474 0.000 1.136 44 N CA -0.238 52.744 53.050 -0.114 0.000 0.900 44 N CB 0.264 38.678 38.487 -0.122 0.000 1.484 44 N HN -0.056 nan 8.380 nan 0.000 0.526 45 F N 1.505 121.616 119.950 0.269 0.000 2.546 45 F HA 0.481 5.008 4.527 -0.000 0.000 0.320 45 F C 1.595 177.537 175.800 0.236 0.000 1.076 45 F CA -0.796 57.328 58.000 0.207 0.000 0.928 45 F CB 2.109 41.238 39.000 0.216 0.000 1.189 45 F HN 0.234 nan 8.300 nan 0.000 0.465 46 K N 0.352 120.951 120.400 0.332 0.000 2.459 46 K HA 0.097 4.417 4.320 -0.000 0.000 0.193 46 K C -0.049 176.745 176.600 0.323 0.000 1.030 46 K CA 0.479 56.923 56.287 0.263 0.000 1.026 46 K CB 0.150 32.741 32.500 0.152 0.000 0.809 46 K HN 0.604 nan 8.250 nan 0.000 0.504 47 S N -2.088 113.768 115.700 0.261 0.000 2.550 47 S HA 0.518 4.988 4.470 -0.000 0.000 0.270 47 S C 0.408 174.723 174.600 -0.474 0.000 1.145 47 S CA -0.587 57.562 58.200 -0.085 0.000 0.852 47 S CB 1.799 64.974 63.200 -0.043 0.000 1.119 47 S HN -0.029 nan 8.310 nan 0.000 0.465 48 A N 1.513 123.718 122.820 -1.026 0.000 1.933 48 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 48 A C 1.767 179.121 177.584 -0.383 0.000 1.175 48 A CA 1.927 53.489 52.037 -0.791 0.000 0.628 48 A CB -1.146 17.438 19.000 -0.693 0.000 0.814 48 A HN 0.907 nan 8.150 nan 0.000 0.444 49 E N 0.346 120.377 120.200 -0.281 0.000 2.058 49 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 49 E C 1.748 178.236 176.600 -0.186 0.000 0.997 49 E CA 1.481 57.773 56.400 -0.181 0.000 0.801 49 E CB -0.234 29.395 29.700 -0.119 0.000 0.746 49 E HN 0.613 nan 8.360 nan 0.000 0.450 50 D N -0.488 119.807 120.400 -0.175 0.000 2.117 50 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 50 D C 2.020 178.028 176.300 -0.487 0.000 0.982 50 D CA 1.002 54.907 54.000 -0.158 0.000 0.828 50 D CB -0.055 40.769 40.800 0.041 0.000 0.967 50 D HN 0.251 nan 8.370 nan 0.000 0.464 51 c N 0.687 118.836 118.600 -0.750 0.000 2.432 51 c HA -0.126 4.444 4.570 -0.000 0.000 0.277 51 c C 2.676 176.381 174.090 -0.641 0.000 1.249 51 c CA 0.504 56.041 56.329 -1.320 0.000 1.725 51 c CB -0.904 41.229 42.510 -0.627 0.000 2.028 51 c HN 0.296 nan 8.230 nan 0.000 0.477 52 M N 0.623 120.016 119.600 -0.345 0.000 2.229 52 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 52 M C 2.297 178.480 176.300 -0.196 0.000 1.063 52 M CA 1.542 56.726 55.300 -0.193 0.000 1.114 52 M CB -1.501 31.022 32.600 -0.129 0.000 1.387 52 M HN 0.590 nan 8.290 nan 0.000 0.420 53 R N -0.394 119.985 120.500 -0.201 0.000 2.062 53 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 53 R C 1.853 178.075 176.300 -0.131 0.000 1.136 53 R CA 2.089 58.107 56.100 -0.137 0.000 0.948 53 R CB -0.331 29.910 30.300 -0.099 0.000 0.845 53 R HN 0.227 nan 8.270 nan 0.000 0.430 54 T N -0.502 113.959 114.554 -0.156 0.000 2.857 54 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 54 T C 1.620 176.252 174.700 -0.114 0.000 1.048 54 T CA 1.280 63.355 62.100 -0.042 0.000 1.139 54 T CB -0.035 68.934 68.868 0.168 0.000 0.874 54 T HN 0.397 nan 8.240 nan 0.000 0.455 55 c N 0.992 119.433 118.600 -0.265 0.000 3.228 55 c HA 0.486 5.056 4.570 -0.000 0.000 0.290 55 c C 1.902 175.591 174.090 -0.668 0.000 1.301 55 c CA -1.341 54.700 56.329 -0.480 0.000 1.703 55 c CB -1.026 41.176 42.510 -0.512 0.000 2.141 55 c HN 0.614 nan 8.230 nan 0.000 0.656 56 G N 0.000 108.573 108.800 -0.379 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 44.956 45.100 -0.240 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000