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_B 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 0.000 176.164 176.300 -0.227 0.000 0.893 1 R CA 0.000 55.973 56.100 -0.211 0.000 0.921 1 R CB 0.000 30.127 30.300 -0.288 0.000 0.687 2 P HA 0.158 nan 4.420 nan 0.000 0.269 2 P C -0.335 176.727 177.300 -0.397 0.000 1.215 2 P CA -0.299 62.556 63.100 -0.409 0.000 0.780 2 P CB 0.575 31.797 31.700 -0.796 0.000 0.898 3 D N 0.239 120.522 120.400 -0.196 0.000 2.219 3 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 3 D C 1.440 177.730 176.300 -0.018 0.000 0.970 3 D CA 0.966 54.922 54.000 -0.073 0.000 0.851 3 D CB -0.471 40.334 40.800 0.008 0.000 0.943 3 D HN 0.508 nan 8.370 nan 0.000 0.488 4 F N -0.483 119.492 119.950 0.042 0.000 2.451 4 F HA -0.022 4.505 4.527 0.000 0.000 0.299 4 F C 1.789 177.651 175.800 0.104 0.000 1.101 4 F CA -0.109 57.921 58.000 0.049 0.000 1.436 4 F CB -1.276 37.740 39.000 0.026 0.000 1.074 4 F HN -0.078 nan 8.300 nan 0.000 0.553 5 c N 1.295 119.790 118.600 -0.175 0.000 2.449 5 c HA 0.042 4.612 4.570 -0.000 0.000 0.283 5 c C 2.534 176.774 174.090 0.250 0.000 1.453 5 c CA 0.463 56.826 56.329 0.057 0.000 1.779 5 c CB -1.651 40.727 42.510 -0.220 0.000 1.779 5 c HN 0.596 nan 8.230 nan 0.000 0.546 6 L N 0.135 121.450 121.223 0.153 0.000 2.567 6 L HA 0.116 4.456 4.340 -0.000 0.000 0.225 6 L C 0.787 177.737 176.870 0.132 0.000 1.119 6 L CA 0.374 55.303 54.840 0.148 0.000 0.871 6 L CB -0.375 41.735 42.059 0.086 0.000 1.036 6 L HN 0.406 nan 8.230 nan 0.000 0.459 7 E N 1.019 121.309 120.200 0.149 0.000 2.390 7 E HA 0.180 4.530 4.350 -0.000 0.000 0.261 7 E C -2.204 174.432 176.600 0.060 0.000 1.076 7 E CA -1.882 54.573 56.400 0.092 0.000 0.905 7 E CB 0.214 29.967 29.700 0.088 0.000 0.984 7 E HN -0.045 nan 8.360 nan 0.000 0.427 8 P HA 0.123 nan 4.420 nan 0.000 0.276 8 P C -2.461 174.661 177.300 -0.296 0.000 1.244 8 P CA -1.240 61.777 63.100 -0.137 0.000 0.801 8 P CB 0.028 31.666 31.700 -0.102 0.000 1.006 9 P HA 0.013 nan 4.420 nan 0.000 0.268 9 P C -1.407 175.586 177.300 -0.511 0.000 1.205 9 P CA 0.307 62.783 63.100 -1.040 0.000 0.771 9 P CB 0.253 30.787 31.700 -1.943 0.000 0.858 10 Y N 1.627 121.642 120.300 -0.475 0.000 2.338 10 Y HA 0.237 4.787 4.550 -0.000 0.000 0.328 10 Y C 1.255 177.267 175.900 0.186 0.000 0.965 10 Y CA -0.117 57.918 58.100 -0.108 0.000 1.208 10 Y CB 1.212 39.643 38.460 -0.048 0.000 1.132 10 Y HN 0.269 nan 8.280 nan 0.000 0.469 11 T N 3.791 118.257 114.554 -0.146 0.000 2.812 11 T HA 0.261 4.611 4.350 -0.000 0.000 0.264 11 T C 0.714 175.257 174.700 -0.262 0.000 1.042 11 T CA 1.446 63.547 62.100 0.003 0.000 1.140 11 T CB -0.738 68.106 68.868 -0.040 0.000 0.870 11 T HN 1.172 nan 8.240 nan 0.000 0.445 12 G N 1.400 109.695 108.800 -0.843 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 -2.039 172.682 174.900 -0.299 0.000 1.320 12 G CA -0.308 44.403 45.100 -0.648 0.000 0.847 12 G HN 0.154 nan 8.290 nan 0.000 0.553 13 P HA 0.142 nan 4.420 nan 0.000 0.231 13 P C 1.024 178.265 177.300 -0.098 0.000 1.168 13 P CA 0.690 63.738 63.100 -0.087 0.000 0.779 13 P CB 0.053 31.740 31.700 -0.021 0.000 0.844 14 c N 1.536 120.054 118.600 -0.137 0.000 2.595 14 c HA 0.197 4.767 4.570 -0.000 0.000 0.384 14 c C 1.969 175.968 174.090 -0.151 0.000 1.289 14 c CA -0.364 55.877 56.329 -0.146 0.000 2.372 14 c CB 0.413 42.814 42.510 -0.182 0.000 2.593 14 c HN 0.197 nan 8.230 nan 0.000 0.639 15 K N 0.974 121.301 120.400 -0.121 0.000 2.444 15 K HA 0.146 4.466 4.320 -0.000 0.000 0.193 15 K C 0.683 177.219 176.600 -0.108 0.000 1.024 15 K CA 0.193 56.419 56.287 -0.101 0.000 1.077 15 K CB -0.450 32.006 32.500 -0.072 0.000 0.833 15 K HN 0.711 nan 8.250 nan 0.000 0.517 16 A N 1.420 124.154 122.820 -0.144 0.000 2.304 16 A HA 0.426 4.746 4.320 -0.000 0.000 0.271 16 A C -0.199 177.305 177.584 -0.134 0.000 1.091 16 A CA -0.342 51.615 52.037 -0.134 0.000 0.812 16 A CB 0.326 19.233 19.000 -0.154 0.000 1.056 16 A HN 0.133 nan 8.150 nan 0.000 0.489 17 R N 1.035 121.475 120.500 -0.100 0.000 2.587 17 R HA 0.356 4.695 4.340 -0.000 0.000 0.283 17 R C -1.006 175.244 176.300 -0.084 0.000 1.472 17 R CA -0.033 56.015 56.100 -0.086 0.000 1.578 17 R CB 0.398 30.661 30.300 -0.061 0.000 1.130 17 R HN 0.535 nan 8.270 nan 0.000 0.602 18 I N 2.421 122.931 120.570 -0.100 0.000 2.392 18 I HA 0.334 4.503 4.170 -0.000 0.000 0.295 18 I C 0.637 176.670 176.117 -0.141 0.000 0.985 18 I CA -1.031 60.219 61.300 -0.084 0.000 1.221 18 I CB 1.384 39.364 38.000 -0.033 0.000 1.366 18 I HN 0.370 nan 8.210 nan 0.000 0.467 19 I N 6.351 126.825 120.570 -0.160 0.000 2.416 19 I HA 0.215 4.385 4.170 -0.000 0.000 0.288 19 I C 0.487 176.373 176.117 -0.385 0.000 1.051 19 I CA -0.215 60.921 61.300 -0.274 0.000 1.375 19 I CB 0.392 38.256 38.000 -0.226 0.000 1.407 19 I HN 0.433 nan 8.210 nan 0.000 0.516 20 R N 5.028 125.169 120.500 -0.599 0.000 2.888 20 R HA 0.549 4.889 4.340 -0.000 0.000 0.264 20 R C -1.520 174.507 176.300 -0.455 0.000 1.045 20 R CA -1.016 54.759 56.100 -0.542 0.000 0.962 20 R CB 1.945 31.864 30.300 -0.634 0.000 1.210 20 R HN 0.324 nan 8.270 nan 0.000 0.479 21 Y N 0.476 120.961 120.300 0.308 0.000 2.468 21 Y HA 0.541 5.091 4.550 -0.000 0.000 0.342 21 Y C 0.068 176.420 175.900 0.752 0.000 1.021 21 Y CA -0.895 57.480 58.100 0.458 0.000 1.079 21 Y CB 1.445 40.064 38.460 0.266 0.000 1.226 21 Y HN 0.479 nan 8.280 nan 0.000 0.460 22 F N 0.005 120.332 119.950 0.628 0.000 2.599 22 F HA 0.598 5.125 4.527 -0.000 0.000 0.311 22 F C -1.827 174.205 175.800 0.386 0.000 1.076 22 F CA -1.987 56.303 58.000 0.484 0.000 0.937 22 F CB 0.949 40.030 39.000 0.134 0.000 1.282 22 F HN 0.409 nan 8.300 nan 0.000 0.460 23 Y N 2.726 123.160 120.300 0.223 0.000 2.336 23 Y HA 0.319 4.869 4.550 -0.000 0.000 0.335 23 Y C -0.320 175.591 175.900 0.017 0.000 1.046 23 Y CA -0.552 57.549 58.100 0.003 0.000 1.198 23 Y CB 0.751 39.259 38.460 0.080 0.000 1.182 23 Y HN 0.861 nan 8.280 nan 0.000 0.502 24 N N 4.831 123.115 118.700 -0.694 0.000 2.558 24 N HA 0.353 5.093 4.740 -0.000 0.000 0.233 24 N C 0.674 175.784 175.510 -0.667 0.000 1.038 24 N CA 0.285 53.090 53.050 -0.409 0.000 0.934 24 N CB 0.757 39.038 38.487 -0.342 0.000 1.175 24 N HN 0.892 nan 8.380 nan 0.000 0.512 25 A N 3.991 126.576 122.820 -0.392 0.000 1.948 25 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 25 A C 2.185 179.684 177.584 -0.142 0.000 1.177 25 A CA 1.248 53.160 52.037 -0.209 0.000 0.636 25 A CB -0.277 18.772 19.000 0.081 0.000 0.815 25 A HN 0.667 nan 8.150 nan 0.000 0.449 26 K N -0.651 119.689 120.400 -0.100 0.000 2.001 26 K HA -0.067 4.252 4.320 -0.000 0.000 0.208 26 K C 2.215 178.763 176.600 -0.086 0.000 1.048 26 K CA 1.258 57.510 56.287 -0.059 0.000 0.932 26 K CB -0.318 32.166 32.500 -0.026 0.000 0.715 26 K HN 0.421 nan 8.250 nan 0.000 0.437 27 A N -0.019 122.722 122.820 -0.132 0.000 2.066 27 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 27 A C 1.373 178.866 177.584 -0.151 0.000 1.157 27 A CA 1.459 53.419 52.037 -0.127 0.000 0.670 27 A CB -0.430 18.489 19.000 -0.135 0.000 0.804 27 A HN 0.530 nan 8.150 nan 0.000 0.453 28 G N -1.775 106.880 108.800 -0.241 0.000 2.147 28 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.244 28 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.244 28 G C -0.088 174.734 174.900 -0.130 0.000 1.005 28 G CA 0.808 45.815 45.100 -0.155 0.000 0.713 28 G HN 1.589 nan 8.290 nan 0.000 0.515 29 L N -4.174 116.860 121.223 -0.316 0.000 2.600 29 L HA 0.854 5.194 4.340 -0.000 0.000 0.257 29 L C 0.167 176.877 176.870 -0.267 0.000 1.048 29 L CA -1.786 52.959 54.840 -0.158 0.000 0.869 29 L CB 0.362 42.365 42.059 -0.092 0.000 1.482 29 L HN 0.104 nan 8.230 nan 0.000 0.408 30 c N 0.433 118.968 118.600 -0.108 0.000 2.463 30 c HA 0.762 5.332 4.570 -0.000 0.000 0.380 30 c C 0.161 174.157 174.090 -0.158 0.000 1.264 30 c CA -0.077 56.171 56.329 -0.136 0.000 2.161 30 c CB 0.442 42.938 42.510 -0.024 0.000 2.515 30 c HN 0.785 nan 8.230 nan 0.000 0.565 31 Q N 0.259 119.865 119.800 -0.323 0.000 2.528 31 Q HA 0.565 4.905 4.340 -0.000 0.000 0.289 31 Q C -0.356 175.711 176.000 0.112 0.000 1.091 31 Q CA -0.555 55.158 55.803 -0.149 0.000 0.797 31 Q CB 2.033 30.604 28.738 -0.277 0.000 1.466 31 Q HN 0.810 nan 8.270 nan 0.000 0.436 32 T N -1.270 113.420 114.554 0.227 0.000 2.918 32 T HA 0.732 5.082 4.350 -0.000 0.000 0.283 32 T C -0.493 174.489 174.700 0.470 0.000 1.001 32 T CA -0.480 61.745 62.100 0.208 0.000 1.041 32 T CB 0.440 69.320 68.868 0.022 0.000 1.028 32 T HN 0.509 nan 8.240 nan 0.000 0.511 33 F N -0.950 119.096 119.950 0.159 0.000 2.713 33 F HA 0.673 5.200 4.527 -0.000 0.000 0.311 33 F C -1.927 173.903 175.800 0.050 0.000 1.141 33 F CA -1.670 56.404 58.000 0.124 0.000 0.939 33 F CB 0.835 39.893 39.000 0.096 0.000 1.325 33 F HN 0.452 nan 8.300 nan 0.000 0.453 34 V N 3.328 123.244 119.914 0.003 0.000 2.364 34 V HA 0.217 4.337 4.120 -0.000 0.000 0.272 34 V C -0.956 175.085 176.094 -0.088 0.000 1.036 34 V CA -0.474 61.753 62.300 -0.121 0.000 0.880 34 V CB 0.544 32.353 31.823 -0.022 0.000 0.991 34 V HN 0.731 nan 8.190 nan 0.000 0.460 35 Y N 3.639 123.698 120.300 -0.401 0.000 2.323 35 Y HA 0.593 5.143 4.550 -0.000 0.000 0.331 35 Y C 1.217 177.039 175.900 -0.129 0.000 1.092 35 Y CA -0.794 57.164 58.100 -0.235 0.000 1.150 35 Y CB 1.868 40.133 38.460 -0.326 0.000 1.200 35 Y HN 0.608 nan 8.280 nan 0.000 0.472 36 G N 2.123 110.619 108.800 -0.508 0.000 2.484 36 G HA2 0.248 4.207 3.960 -0.000 0.000 0.218 36 G HA3 0.248 4.207 3.960 -0.000 0.000 0.218 36 G C 1.019 175.528 174.900 -0.652 0.000 1.130 36 G CA 0.491 45.299 45.100 -0.487 0.000 0.784 36 G HN 1.611 nan 8.290 nan 0.000 0.543 37 G N -1.959 106.049 108.800 -1.321 0.000 2.211 37 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.201 37 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.201 37 G C 0.333 174.965 174.900 -0.447 0.000 0.997 37 G CA 0.331 44.964 45.100 -0.778 0.000 0.652 37 G HN 1.568 nan 8.290 nan 0.000 0.500 38 c N -2.422 115.934 118.600 -0.407 0.000 3.288 38 c HA 0.815 5.385 4.570 -0.000 0.000 0.318 38 c C 0.844 175.036 174.090 0.170 0.000 1.356 38 c CA 0.378 56.701 56.329 -0.010 0.000 1.359 38 c CB 1.294 43.785 42.510 -0.033 0.000 1.688 38 c HN 1.614 nan 8.230 nan 0.000 0.467 39 R N -1.440 119.182 120.500 0.203 0.000 3.416 39 R HA -0.042 4.298 4.340 -0.000 0.000 0.263 39 R C 0.488 177.009 176.300 0.370 0.000 1.053 39 R CA 1.194 57.440 56.100 0.243 0.000 0.705 39 R CB -2.781 27.666 30.300 0.244 0.000 1.124 39 R HN 2.352 nan 8.270 nan 0.000 0.444 40 A N 0.694 123.725 122.820 0.352 0.000 2.483 40 A HA 0.462 4.782 4.320 -0.000 0.000 0.238 40 A C 0.833 178.456 177.584 0.066 0.000 1.070 40 A CA 0.116 52.291 52.037 0.229 0.000 0.770 40 A CB 0.361 19.308 19.000 -0.087 0.000 1.008 40 A HN 0.305 nan 8.150 nan 0.000 0.497 41 K N 0.605 121.026 120.400 0.034 0.000 2.177 41 K HA 0.309 4.629 4.320 -0.000 0.000 0.238 41 K C 1.172 177.654 176.600 -0.196 0.000 1.015 41 K CA -0.733 55.494 56.287 -0.101 0.000 0.922 41 K CB 0.688 33.128 32.500 -0.101 0.000 1.127 41 K HN 0.716 nan 8.250 nan 0.000 0.469 42 R N 0.522 120.846 120.500 -0.294 0.000 2.148 42 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 42 R C 0.631 176.633 176.300 -0.497 0.000 1.103 42 R CA 0.762 56.499 56.100 -0.605 0.000 0.983 42 R CB -0.104 29.527 30.300 -1.116 0.000 0.874 42 R HN 0.394 nan 8.270 nan 0.000 0.451 43 N N 1.960 120.627 118.700 -0.054 0.000 3.245 43 N HA -0.035 4.705 4.740 -0.000 0.000 0.296 43 N C -1.344 174.235 175.510 0.115 0.000 1.254 43 N CA 0.091 53.274 53.050 0.222 0.000 1.190 43 N CB -0.342 38.369 38.487 0.373 0.000 1.460 43 N HN 0.067 nan 8.380 nan 0.000 0.538 44 N N 2.001 120.573 118.700 -0.213 0.000 2.572 44 N HA 0.202 4.942 4.740 -0.000 0.000 0.287 44 N C -1.934 173.364 175.510 -0.353 0.000 1.136 44 N CA -0.255 52.782 53.050 -0.023 0.000 0.900 44 N CB 0.283 38.691 38.487 -0.131 0.000 1.484 44 N HN -0.043 nan 8.380 nan 0.000 0.526 45 F N 1.886 121.985 119.950 0.249 0.000 2.520 45 F HA 0.428 4.955 4.527 0.000 0.000 0.322 45 F C 1.636 177.581 175.800 0.241 0.000 1.103 45 F CA -0.843 57.284 58.000 0.213 0.000 0.926 45 F CB 2.388 41.537 39.000 0.248 0.000 1.154 45 F HN 0.403 nan 8.300 nan 0.000 0.453 46 K N 0.759 121.349 120.400 0.318 0.000 2.167 46 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 46 K C 0.474 177.293 176.600 0.366 0.000 1.052 46 K CA 0.701 57.140 56.287 0.253 0.000 0.956 46 K CB 0.222 32.809 32.500 0.146 0.000 0.735 46 K HN 0.473 nan 8.250 nan 0.000 0.451 47 S N -0.986 114.906 115.700 0.320 0.000 2.473 47 S HA 0.492 4.962 4.470 -0.000 0.000 0.307 47 S C 0.486 175.037 174.600 -0.081 0.000 1.094 47 S CA -0.455 57.829 58.200 0.139 0.000 1.070 47 S CB 1.737 64.984 63.200 0.078 0.000 1.019 47 S HN 0.284 nan 8.310 nan 0.000 0.480 48 A N 3.580 126.071 122.820 -0.547 0.000 1.969 48 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 48 A C 1.905 179.265 177.584 -0.373 0.000 1.169 48 A CA 1.599 53.166 52.037 -0.784 0.000 0.635 48 A CB -0.717 17.667 19.000 -1.025 0.000 0.810 48 A HN 0.965 nan 8.150 nan 0.000 0.445 49 E N 0.038 120.094 120.200 -0.241 0.000 2.051 49 E HA -0.251 4.098 4.350 -0.000 0.000 0.192 49 E C 1.151 177.650 176.600 -0.169 0.000 0.991 49 E CA 1.507 57.809 56.400 -0.162 0.000 0.799 49 E CB -0.143 29.500 29.700 -0.096 0.000 0.748 49 E HN 0.538 nan 8.360 nan 0.000 0.449 50 D N 0.193 120.509 120.400 -0.139 0.000 2.144 50 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 50 D C 1.989 178.000 176.300 -0.482 0.000 0.984 50 D CA 0.882 54.802 54.000 -0.133 0.000 0.834 50 D CB -0.727 40.132 40.800 0.099 0.000 0.955 50 D HN 0.237 nan 8.370 nan 0.000 0.465 51 c N 0.433 118.604 118.600 -0.715 0.000 2.432 51 c HA -0.084 4.486 4.570 -0.000 0.000 0.277 51 c C 2.715 176.455 174.090 -0.583 0.000 1.249 51 c CA 0.603 56.243 56.329 -1.147 0.000 1.725 51 c CB -1.032 41.125 42.510 -0.588 0.000 2.028 51 c HN 0.283 nan 8.230 nan 0.000 0.477 52 M N -0.146 119.252 119.600 -0.336 0.000 2.159 52 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 52 M C 2.505 178.676 176.300 -0.214 0.000 1.063 52 M CA 1.837 57.013 55.300 -0.207 0.000 1.110 52 M CB -0.652 31.860 32.600 -0.147 0.000 1.374 52 M HN 0.419 nan 8.290 nan 0.000 0.411 53 R N -0.094 120.281 120.500 -0.209 0.000 2.073 53 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 53 R C 1.950 178.152 176.300 -0.164 0.000 1.120 53 R CA 1.751 57.759 56.100 -0.154 0.000 0.967 53 R CB -0.150 30.086 30.300 -0.107 0.000 0.862 53 R HN 0.237 nan 8.270 nan 0.000 0.436 54 T N -0.572 113.863 114.554 -0.198 0.000 2.812 54 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 54 T C 1.709 176.271 174.700 -0.230 0.000 1.042 54 T CA 1.315 63.343 62.100 -0.120 0.000 1.140 54 T CB -0.056 68.847 68.868 0.059 0.000 0.870 54 T HN 0.383 nan 8.240 nan 0.000 0.445 55 c N 0.768 119.131 118.600 -0.395 0.000 2.791 55 c HA 0.472 5.042 4.570 -0.000 0.000 0.288 55 c C 1.892 175.476 174.090 -0.842 0.000 1.271 55 c CA -1.164 54.761 56.329 -0.674 0.000 1.726 55 c CB -0.965 41.029 42.510 -0.860 0.000 2.145 55 c HN 0.599 nan 8.230 nan 0.000 0.572 56 G N 0.000 108.501 108.800 -0.499 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 44.937 45.100 -0.272 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000