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 1fy8_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 -0.219 0.000 0.893 1 R CA 0.000 55.987 56.100 -0.188 0.000 0.921 1 R CB 0.000 30.146 30.300 -0.256 0.000 0.687 2 P HA 0.078 nan 4.420 nan 0.000 0.267 2 P C -0.074 176.962 177.300 -0.440 0.000 1.200 2 P CA -0.100 62.741 63.100 -0.430 0.000 0.772 2 P CB 0.556 31.800 31.700 -0.759 0.000 0.855 3 D N 1.857 122.112 120.400 -0.242 0.000 2.144 3 D HA -0.233 4.407 4.640 -0.000 0.000 0.199 3 D C 1.445 177.711 176.300 -0.058 0.000 0.984 3 D CA 1.306 55.242 54.000 -0.106 0.000 0.834 3 D CB -1.005 39.788 40.800 -0.011 0.000 0.955 3 D HN 0.511 nan 8.370 nan 0.000 0.465 4 F N 0.511 120.482 119.950 0.035 0.000 2.408 4 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 4 F C 1.876 177.734 175.800 0.097 0.000 1.090 4 F CA -0.459 57.566 58.000 0.042 0.000 1.427 4 F CB -1.194 37.818 39.000 0.020 0.000 1.070 4 F HN 0.004 nan 8.300 nan 0.000 0.549 5 c N 1.126 119.641 118.600 -0.141 0.000 2.448 5 c HA 0.101 4.671 4.570 -0.000 0.000 0.280 5 c C 2.514 176.745 174.090 0.235 0.000 1.398 5 c CA 0.333 56.717 56.329 0.092 0.000 1.774 5 c CB -1.383 41.015 42.510 -0.187 0.000 1.888 5 c HN 0.580 nan 8.230 nan 0.000 0.519 6 L N 0.011 121.311 121.223 0.128 0.000 2.592 6 L HA 0.144 4.484 4.340 -0.000 0.000 0.227 6 L C 0.714 177.661 176.870 0.129 0.000 1.127 6 L CA 0.415 55.337 54.840 0.137 0.000 0.884 6 L CB -0.396 41.706 42.059 0.073 0.000 1.065 6 L HN 0.248 nan 8.230 nan 0.000 0.457 7 E N 1.900 122.187 120.200 0.145 0.000 2.343 7 E HA 0.246 4.596 4.350 -0.000 0.000 0.269 7 E C -2.091 174.567 176.600 0.097 0.000 1.047 7 E CA -2.076 54.386 56.400 0.103 0.000 0.874 7 E CB 0.673 30.430 29.700 0.094 0.000 1.033 7 E HN -0.068 nan 8.360 nan 0.000 0.409 8 P HA 0.133 nan 4.420 nan 0.000 0.269 8 P C -2.436 174.747 177.300 -0.196 0.000 1.215 8 P CA -1.145 61.922 63.100 -0.054 0.000 0.780 8 P CB -0.503 31.166 31.700 -0.053 0.000 0.898 9 P HA 0.034 nan 4.420 nan 0.000 0.268 9 P C -1.126 175.886 177.300 -0.479 0.000 1.205 9 P CA 0.278 62.801 63.100 -0.962 0.000 0.771 9 P CB 0.184 30.615 31.700 -2.116 0.000 0.858 10 Y N 1.748 121.797 120.300 -0.418 0.000 2.402 10 Y HA 0.217 4.767 4.550 0.000 0.000 0.332 10 Y C 1.387 177.428 175.900 0.235 0.000 0.960 10 Y CA -0.020 58.042 58.100 -0.063 0.000 1.228 10 Y CB 0.828 39.280 38.460 -0.013 0.000 1.120 10 Y HN 0.288 nan 8.280 nan 0.000 0.491 11 T N 3.879 118.374 114.554 -0.099 0.000 2.777 11 T HA 0.194 4.544 4.350 -0.000 0.000 0.266 11 T C 0.740 175.282 174.700 -0.264 0.000 1.040 11 T CA 1.585 63.686 62.100 0.000 0.000 1.141 11 T CB -0.779 68.056 68.868 -0.054 0.000 0.868 11 T HN 1.151 nan 8.240 nan 0.000 0.444 12 G N 1.153 109.444 108.800 -0.848 0.000 2.756 12 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.678 12 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.678 12 G C -2.088 172.618 174.900 -0.324 0.000 1.349 12 G CA -0.300 44.393 45.100 -0.678 0.000 0.847 12 G HN 0.156 nan 8.290 nan 0.000 0.548 13 P HA 0.173 nan 4.420 nan 0.000 0.235 13 P C 1.039 178.274 177.300 -0.110 0.000 1.177 13 P CA 0.677 63.717 63.100 -0.100 0.000 0.785 13 P CB 0.116 31.797 31.700 -0.032 0.000 0.885 14 c N 1.216 119.729 118.600 -0.145 0.000 2.657 14 c HA 0.186 4.756 4.570 -0.000 0.000 0.404 14 c C 1.513 175.502 174.090 -0.167 0.000 1.291 14 c CA -0.117 56.121 56.329 -0.152 0.000 2.218 14 c CB -0.190 42.208 42.510 -0.188 0.000 2.687 14 c HN 0.201 nan 8.230 nan 0.000 0.634 15 K N 1.275 121.596 120.400 -0.132 0.000 2.814 15 K HA 0.362 4.682 4.320 -0.000 0.000 0.213 15 K C 0.337 176.866 176.600 -0.118 0.000 1.113 15 K CA -0.084 56.133 56.287 -0.116 0.000 1.145 15 K CB 0.297 32.748 32.500 -0.082 0.000 0.948 15 K HN 0.731 nan 8.250 nan 0.000 0.464 16 A N 1.465 124.191 122.820 -0.157 0.000 2.240 16 A HA 0.428 4.748 4.320 -0.000 0.000 0.292 16 A C -0.245 177.254 177.584 -0.141 0.000 1.121 16 A CA -0.514 51.439 52.037 -0.140 0.000 0.851 16 A CB 0.531 19.434 19.000 -0.162 0.000 1.167 16 A HN 0.364 nan 8.150 nan 0.000 0.503 17 R N 0.712 121.145 120.500 -0.111 0.000 2.513 17 R HA 0.503 4.843 4.340 -0.000 0.000 0.283 17 R C -1.981 174.263 176.300 -0.092 0.000 1.535 17 R CA -0.116 55.924 56.100 -0.100 0.000 1.315 17 R CB 0.090 30.347 30.300 -0.072 0.000 1.163 17 R HN 0.646 nan 8.270 nan 0.000 0.573 18 I N 5.045 125.550 120.570 -0.108 0.000 2.389 18 I HA 0.316 4.486 4.170 -0.000 0.000 0.288 18 I C 0.118 176.161 176.117 -0.123 0.000 0.999 18 I CA -0.948 60.309 61.300 -0.072 0.000 1.129 18 I CB 1.835 39.832 38.000 -0.006 0.000 1.288 18 I HN 0.326 nan 8.210 nan 0.000 0.444 19 I N 6.722 127.216 120.570 -0.128 0.000 2.396 19 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 19 I C 0.430 176.403 176.117 -0.240 0.000 1.056 19 I CA -0.029 61.146 61.300 -0.210 0.000 1.365 19 I CB 0.009 37.912 38.000 -0.163 0.000 1.407 19 I HN 0.531 nan 8.210 nan 0.000 0.509 20 R N 4.997 125.250 120.500 -0.412 0.000 2.930 20 R HA 0.545 4.885 4.340 -0.000 0.000 0.257 20 R C -1.223 175.020 176.300 -0.094 0.000 1.107 20 R CA -0.951 55.003 56.100 -0.243 0.000 0.999 20 R CB 1.614 31.703 30.300 -0.352 0.000 1.209 20 R HN 0.297 nan 8.270 nan 0.000 0.486 21 Y N 0.362 120.868 120.300 0.343 0.000 2.457 21 Y HA 0.508 5.058 4.550 -0.000 0.000 0.333 21 Y C 0.067 176.452 175.900 0.809 0.000 1.119 21 Y CA -0.659 57.747 58.100 0.509 0.000 1.143 21 Y CB 1.385 40.040 38.460 0.325 0.000 1.230 21 Y HN 0.465 nan 8.280 nan 0.000 0.469 22 F N 0.507 120.848 119.950 0.651 0.000 2.601 22 F HA 0.500 5.027 4.527 -0.000 0.000 0.309 22 F C -1.915 174.115 175.800 0.383 0.000 1.089 22 F CA -1.948 56.349 58.000 0.496 0.000 0.940 22 F CB 0.674 39.733 39.000 0.098 0.000 1.273 22 F HN 0.409 nan 8.300 nan 0.000 0.450 23 Y N 3.796 124.162 120.300 0.110 0.000 2.393 23 Y HA 0.357 4.907 4.550 0.000 0.000 0.338 23 Y C -0.308 175.454 175.900 -0.230 0.000 1.029 23 Y CA -0.233 57.796 58.100 -0.119 0.000 1.239 23 Y CB 0.412 38.890 38.460 0.029 0.000 1.170 23 Y HN 0.785 nan 8.280 nan 0.000 0.515 24 N N 5.156 123.244 118.700 -1.020 0.000 2.500 24 N HA 0.260 5.000 4.740 -0.000 0.000 0.236 24 N C 0.396 175.461 175.510 -0.742 0.000 1.022 24 N CA 0.425 53.081 53.050 -0.657 0.000 0.935 24 N CB 1.216 39.391 38.487 -0.519 0.000 1.147 24 N HN 0.895 nan 8.380 nan 0.000 0.512 25 A N 4.833 127.417 122.820 -0.394 0.000 1.865 25 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 25 A C 1.994 179.503 177.584 -0.125 0.000 1.191 25 A CA 1.573 53.510 52.037 -0.167 0.000 0.623 25 A CB -0.556 18.488 19.000 0.072 0.000 0.826 25 A HN 0.771 nan 8.150 nan 0.000 0.444 26 K N -0.283 120.071 120.400 -0.076 0.000 2.113 26 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 26 K C 1.803 178.360 176.600 -0.072 0.000 1.047 26 K CA 1.608 57.868 56.287 -0.045 0.000 0.928 26 K CB -0.298 32.192 32.500 -0.015 0.000 0.716 26 K HN 0.391 nan 8.250 nan 0.000 0.446 27 A N -0.121 122.619 122.820 -0.133 0.000 2.147 27 A HA 0.232 4.552 4.320 -0.000 0.000 0.211 27 A C 1.468 178.959 177.584 -0.156 0.000 1.160 27 A CA 0.850 52.808 52.037 -0.130 0.000 0.781 27 A CB -0.134 18.779 19.000 -0.145 0.000 0.842 27 A HN 0.573 nan 8.150 nan 0.000 0.475 28 G N -1.288 107.371 108.800 -0.234 0.000 2.153 28 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.252 28 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.252 28 G C -0.012 174.791 174.900 -0.161 0.000 0.994 28 G CA 0.980 45.995 45.100 -0.143 0.000 0.698 28 G HN 1.567 nan 8.290 nan 0.000 0.521 29 L N -4.208 116.770 121.223 -0.408 0.000 2.630 29 L HA 0.867 5.207 4.340 -0.000 0.000 0.258 29 L C 0.108 176.755 176.870 -0.373 0.000 1.072 29 L CA -1.707 52.994 54.840 -0.231 0.000 0.885 29 L CB 0.481 42.479 42.059 -0.102 0.000 1.502 29 L HN 0.096 nan 8.230 nan 0.000 0.406 30 c N 0.677 119.199 118.600 -0.130 0.000 2.435 30 c HA 0.751 5.321 4.570 -0.000 0.000 0.375 30 c C 0.205 174.263 174.090 -0.054 0.000 1.281 30 c CA -0.077 56.185 56.329 -0.111 0.000 1.963 30 c CB 0.133 42.657 42.510 0.024 0.000 2.490 30 c HN 0.773 nan 8.230 nan 0.000 0.557 31 Q N 0.519 120.211 119.800 -0.180 0.000 2.873 31 Q HA 0.626 4.966 4.340 -0.000 0.000 0.297 31 Q C -0.365 175.761 176.000 0.210 0.000 1.064 31 Q CA -0.622 55.186 55.803 0.008 0.000 0.816 31 Q CB 1.882 30.576 28.738 -0.073 0.000 1.481 31 Q HN 0.784 nan 8.270 nan 0.000 0.488 32 T N -1.259 113.411 114.554 0.193 0.000 2.929 32 T HA 0.776 5.126 4.350 -0.000 0.000 0.284 32 T C -0.617 174.326 174.700 0.406 0.000 1.014 32 T CA -0.601 61.570 62.100 0.119 0.000 1.051 32 T CB 0.665 69.428 68.868 -0.174 0.000 1.028 32 T HN 0.513 nan 8.240 nan 0.000 0.485 33 F N -0.873 119.132 119.950 0.091 0.000 2.711 33 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 33 F C -1.898 173.904 175.800 0.003 0.000 1.141 33 F CA -1.699 56.312 58.000 0.018 0.000 0.941 33 F CB 0.848 39.771 39.000 -0.129 0.000 1.349 33 F HN 0.445 nan 8.300 nan 0.000 0.464 34 V N 3.175 123.058 119.914 -0.051 0.000 2.364 34 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 34 V C -1.008 174.990 176.094 -0.161 0.000 1.036 34 V CA -0.472 61.724 62.300 -0.172 0.000 0.880 34 V CB 0.560 32.351 31.823 -0.053 0.000 0.991 34 V HN 0.734 nan 8.190 nan 0.000 0.460 35 Y N 3.690 123.706 120.300 -0.475 0.000 2.323 35 Y HA 0.595 5.145 4.550 -0.000 0.000 0.331 35 Y C 1.205 177.012 175.900 -0.154 0.000 1.092 35 Y CA -0.817 57.111 58.100 -0.286 0.000 1.150 35 Y CB 1.892 40.130 38.460 -0.370 0.000 1.200 35 Y HN 0.602 nan 8.280 nan 0.000 0.472 36 G N 2.103 110.572 108.800 -0.552 0.000 2.650 36 G HA2 0.258 4.218 3.960 -0.000 0.000 0.214 36 G HA3 0.258 4.218 3.960 -0.000 0.000 0.214 36 G C 1.017 175.512 174.900 -0.674 0.000 1.136 36 G CA 0.417 45.206 45.100 -0.518 0.000 0.789 36 G HN 1.664 nan 8.290 nan 0.000 0.536 37 G N -1.904 106.096 108.800 -1.333 0.000 2.201 37 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.212 37 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.212 37 G C 0.309 174.949 174.900 -0.433 0.000 0.994 37 G CA 0.311 44.961 45.100 -0.751 0.000 0.644 37 G HN 1.601 nan 8.290 nan 0.000 0.508 38 c N -2.327 116.020 118.600 -0.421 0.000 3.239 38 c HA 0.823 5.393 4.570 -0.000 0.000 0.317 38 c C 0.721 174.926 174.090 0.192 0.000 1.310 38 c CA -0.237 56.093 56.329 0.002 0.000 1.371 38 c CB 1.310 43.802 42.510 -0.029 0.000 1.714 38 c HN 1.122 nan 8.230 nan 0.000 0.473 39 R N 0.089 120.728 120.500 0.233 0.000 3.422 39 R HA -0.096 4.244 4.340 -0.000 0.000 0.267 39 R C 0.491 177.025 176.300 0.389 0.000 1.074 39 R CA 0.829 57.087 56.100 0.262 0.000 0.718 39 R CB -1.871 28.583 30.300 0.255 0.000 1.157 39 R HN 1.496 nan 8.270 nan 0.000 0.440 40 A N 1.144 124.170 122.820 0.344 0.000 2.483 40 A HA 0.224 4.544 4.320 -0.000 0.000 0.238 40 A C 0.658 178.280 177.584 0.063 0.000 1.070 40 A CA 0.409 52.539 52.037 0.155 0.000 0.770 40 A CB 0.418 19.274 19.000 -0.239 0.000 1.008 40 A HN 0.329 nan 8.150 nan 0.000 0.497 41 K N 0.216 120.643 120.400 0.046 0.000 2.240 41 K HA 0.351 4.671 4.320 -0.000 0.000 0.237 41 K C 1.088 177.570 176.600 -0.198 0.000 1.027 41 K CA -0.765 55.466 56.287 -0.094 0.000 0.937 41 K CB 0.783 33.215 32.500 -0.114 0.000 1.171 41 K HN 0.661 nan 8.250 nan 0.000 0.479 42 R N 0.445 120.765 120.500 -0.299 0.000 2.148 42 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 42 R C 0.643 176.643 176.300 -0.499 0.000 1.088 42 R CA 0.661 56.420 56.100 -0.569 0.000 0.985 42 R CB -0.141 29.489 30.300 -1.116 0.000 0.880 42 R HN 0.333 nan 8.270 nan 0.000 0.451 43 N N 1.854 120.486 118.700 -0.113 0.000 3.254 43 N HA -0.038 4.702 4.740 -0.000 0.000 0.308 43 N C -1.367 174.148 175.510 0.007 0.000 1.281 43 N CA 0.145 53.268 53.050 0.122 0.000 1.212 43 N CB -0.304 38.377 38.487 0.323 0.000 1.478 43 N HN 0.074 nan 8.380 nan 0.000 0.548 44 N N 1.948 120.409 118.700 -0.398 0.000 2.572 44 N HA 0.192 4.932 4.740 -0.000 0.000 0.287 44 N C -1.900 173.352 175.510 -0.429 0.000 1.136 44 N CA -0.242 52.743 53.050 -0.108 0.000 0.900 44 N CB 0.245 38.649 38.487 -0.137 0.000 1.484 44 N HN -0.056 nan 8.380 nan 0.000 0.526 45 F N 1.592 121.695 119.950 0.256 0.000 2.563 45 F HA 0.492 5.019 4.527 -0.000 0.000 0.316 45 F C 1.667 177.599 175.800 0.221 0.000 1.076 45 F CA -0.812 57.302 58.000 0.191 0.000 0.921 45 F CB 2.114 41.229 39.000 0.191 0.000 1.209 45 F HN 0.203 nan 8.300 nan 0.000 0.462 46 K N 0.377 120.968 120.400 0.318 0.000 2.366 46 K HA 0.050 4.370 4.320 -0.000 0.000 0.198 46 K C 0.160 176.938 176.600 0.295 0.000 1.044 46 K CA 0.666 57.104 56.287 0.252 0.000 0.973 46 K CB 0.111 32.700 32.500 0.148 0.000 0.767 46 K HN 0.640 nan 8.250 nan 0.000 0.475 47 S N -2.056 113.771 115.700 0.210 0.000 2.556 47 S HA 0.537 5.007 4.470 -0.000 0.000 0.271 47 S C 0.468 174.780 174.600 -0.481 0.000 1.135 47 S CA -0.556 57.574 58.200 -0.117 0.000 0.858 47 S CB 1.984 65.145 63.200 -0.066 0.000 1.114 47 S HN -0.009 nan 8.310 nan 0.000 0.468 48 A N 1.689 123.920 122.820 -0.982 0.000 1.898 48 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 48 A C 2.094 179.442 177.584 -0.394 0.000 1.181 48 A CA 1.507 53.059 52.037 -0.808 0.000 0.620 48 A CB -0.926 17.654 19.000 -0.700 0.000 0.819 48 A HN 0.949 nan 8.150 nan 0.000 0.442 49 E N 0.568 120.596 120.200 -0.288 0.000 2.110 49 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 49 E C 1.159 177.643 176.600 -0.193 0.000 0.988 49 E CA 1.679 57.966 56.400 -0.189 0.000 0.804 49 E CB -0.708 28.918 29.700 -0.125 0.000 0.745 49 E HN 0.657 nan 8.360 nan 0.000 0.458 50 D N 0.265 120.553 120.400 -0.187 0.000 2.149 50 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 50 D C 2.049 178.053 176.300 -0.494 0.000 0.972 50 D CA 1.268 55.171 54.000 -0.161 0.000 0.835 50 D CB -0.075 40.746 40.800 0.035 0.000 0.966 50 D HN 0.273 nan 8.370 nan 0.000 0.476 51 c N 0.104 118.256 118.600 -0.746 0.000 2.432 51 c HA -0.101 4.469 4.570 -0.000 0.000 0.277 51 c C 2.421 176.099 174.090 -0.688 0.000 1.249 51 c CA 0.547 56.065 56.329 -1.352 0.000 1.725 51 c CB -0.797 41.329 42.510 -0.640 0.000 2.028 51 c HN 0.296 nan 8.230 nan 0.000 0.477 52 M N 0.657 120.034 119.600 -0.371 0.000 2.229 52 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 52 M C 2.298 178.464 176.300 -0.222 0.000 1.063 52 M CA 1.538 56.704 55.300 -0.225 0.000 1.114 52 M CB -1.495 31.019 32.600 -0.143 0.000 1.387 52 M HN 0.590 nan 8.290 nan 0.000 0.420 53 R N -0.565 119.807 120.500 -0.212 0.000 2.066 53 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 53 R C 1.805 178.027 176.300 -0.131 0.000 1.131 53 R CA 2.056 58.071 56.100 -0.142 0.000 0.955 53 R CB -0.280 29.960 30.300 -0.099 0.000 0.851 53 R HN 0.235 nan 8.270 nan 0.000 0.432 54 T N -0.608 113.854 114.554 -0.153 0.000 2.812 54 T HA -0.050 4.300 4.350 -0.000 0.000 0.264 54 T C 1.569 176.214 174.700 -0.092 0.000 1.042 54 T CA 1.225 63.310 62.100 -0.024 0.000 1.140 54 T CB -0.009 68.981 68.868 0.205 0.000 0.870 54 T HN 0.378 nan 8.240 nan 0.000 0.445 55 c N 1.301 119.749 118.600 -0.253 0.000 3.038 55 c HA 0.493 5.063 4.570 -0.000 0.000 0.279 55 c C 1.861 175.529 174.090 -0.704 0.000 1.276 55 c CA -1.417 54.638 56.329 -0.456 0.000 1.697 55 c CB -1.115 41.125 42.510 -0.450 0.000 2.032 55 c HN 0.606 nan 8.230 nan 0.000 0.636 56 G N 0.000 108.535 108.800 -0.441 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 44.901 45.100 -0.332 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000