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 3ldm_1_D 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 0.000 176.209 176.300 -0.151 0.000 0.893 1 R CA 0.000 55.997 56.100 -0.172 0.000 0.921 1 R CB 0.000 30.143 30.300 -0.262 0.000 0.687 2 P HA 0.259 nan 4.420 nan 0.000 0.273 2 P C -0.490 176.672 177.300 -0.229 0.000 1.250 2 P CA -0.411 62.587 63.100 -0.170 0.000 0.793 2 P CB 0.625 32.210 31.700 -0.193 0.000 1.011 3 D N -1.187 119.166 120.400 -0.079 0.000 2.277 3 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 3 D C 1.500 177.797 176.300 -0.006 0.000 0.970 3 D CA 0.480 54.461 54.000 -0.031 0.000 0.874 3 D CB -0.425 40.397 40.800 0.036 0.000 0.982 3 D HN 0.458 nan 8.370 nan 0.000 0.504 4 F N 0.141 120.112 119.950 0.035 0.000 2.307 4 F HA -0.154 4.373 4.527 -0.000 0.000 0.301 4 F C 1.777 177.629 175.800 0.088 0.000 1.076 4 F CA 0.270 58.293 58.000 0.039 0.000 1.383 4 F CB -1.282 37.727 39.000 0.016 0.000 1.055 4 F HN -0.077 nan 8.300 nan 0.000 0.526 5 c N 1.419 119.643 118.600 -0.626 0.000 2.413 5 c HA -0.078 4.492 4.570 -0.000 0.000 0.292 5 c C 2.552 176.684 174.090 0.070 0.000 1.435 5 c CA 0.753 56.905 56.329 -0.295 0.000 1.791 5 c CB -1.865 40.391 42.510 -0.425 0.000 1.784 5 c HN 0.626 nan 8.230 nan 0.000 0.548 6 L N 0.304 121.557 121.223 0.049 0.000 2.554 6 L HA 0.099 4.439 4.340 -0.000 0.000 0.225 6 L C 0.994 177.924 176.870 0.099 0.000 1.104 6 L CA 0.166 55.065 54.840 0.098 0.000 0.866 6 L CB -0.358 41.736 42.059 0.059 0.000 1.047 6 L HN 0.463 nan 8.230 nan 0.000 0.468 7 E N 1.094 121.358 120.200 0.107 0.000 2.404 7 E HA 0.205 4.555 4.350 -0.000 0.000 0.261 7 E C -2.365 174.266 176.600 0.051 0.000 1.074 7 E CA -1.998 54.446 56.400 0.074 0.000 0.917 7 E CB -0.391 29.351 29.700 0.069 0.000 0.965 7 E HN -0.058 nan 8.360 nan 0.000 0.433 8 P HA 0.173 nan 4.420 nan 0.000 0.276 8 P C -2.456 174.687 177.300 -0.261 0.000 1.244 8 P CA -1.624 61.406 63.100 -0.116 0.000 0.801 8 P CB -0.233 31.407 31.700 -0.099 0.000 1.006 9 P HA 0.019 nan 4.420 nan 0.000 0.268 9 P C -1.271 175.749 177.300 -0.467 0.000 1.204 9 P CA 0.374 62.873 63.100 -1.001 0.000 0.768 9 P CB 0.127 30.698 31.700 -1.881 0.000 0.842 10 Y N 1.880 121.916 120.300 -0.440 0.000 2.345 10 Y HA 0.224 4.774 4.550 0.000 0.000 0.331 10 Y C 1.319 177.356 175.900 0.229 0.000 0.959 10 Y CA -0.158 57.891 58.100 -0.085 0.000 1.204 10 Y CB 1.050 39.493 38.460 -0.027 0.000 1.135 10 Y HN 0.271 nan 8.280 nan 0.000 0.477 11 T N 3.950 118.402 114.554 -0.170 0.000 2.867 11 T HA 0.192 4.542 4.350 -0.000 0.000 0.268 11 T C 0.854 175.359 174.700 -0.325 0.000 1.057 11 T CA 1.333 63.415 62.100 -0.030 0.000 1.136 11 T CB -0.766 68.072 68.868 -0.050 0.000 0.874 11 T HN 1.149 nan 8.240 nan 0.000 0.466 12 G N 1.515 109.638 108.800 -1.129 0.000 2.855 12 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.352 12 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.352 12 G C -2.047 172.661 174.900 -0.320 0.000 1.415 12 G CA -0.327 44.284 45.100 -0.815 0.000 0.871 12 G HN 0.210 nan 8.290 nan 0.000 0.543 13 P HA 0.203 nan 4.420 nan 0.000 0.230 13 P C 1.165 178.410 177.300 -0.092 0.000 1.168 13 P CA 0.691 63.748 63.100 -0.072 0.000 0.793 13 P CB 0.165 31.863 31.700 -0.002 0.000 0.851 14 c N 0.541 119.065 118.600 -0.127 0.000 2.563 14 c HA 0.193 4.763 4.570 -0.000 0.000 0.358 14 c C 2.046 176.049 174.090 -0.145 0.000 1.336 14 c CA -0.107 56.143 56.329 -0.130 0.000 2.454 14 c CB 0.124 42.538 42.510 -0.160 0.000 2.448 14 c HN 0.192 nan 8.230 nan 0.000 0.670 15 K N 0.485 120.812 120.400 -0.121 0.000 2.367 15 K HA 0.184 4.504 4.320 -0.000 0.000 0.194 15 K C 0.779 177.310 176.600 -0.115 0.000 1.027 15 K CA 0.033 56.257 56.287 -0.104 0.000 1.075 15 K CB 0.086 32.542 32.500 -0.072 0.000 0.845 15 K HN 0.738 nan 8.250 nan 0.000 0.529 16 A N 1.782 124.511 122.820 -0.151 0.000 2.429 16 A HA 0.101 4.421 4.320 -0.000 0.000 0.242 16 A C -0.040 177.456 177.584 -0.148 0.000 1.088 16 A CA 0.151 52.100 52.037 -0.147 0.000 0.784 16 A CB 0.194 19.087 19.000 -0.179 0.000 1.038 16 A HN 0.308 nan 8.150 nan 0.000 0.501 17 R N 0.827 121.257 120.500 -0.116 0.000 2.748 17 R HA 0.285 4.625 4.340 -0.000 0.000 0.283 17 R C -1.331 174.910 176.300 -0.099 0.000 1.507 17 R CA -0.435 55.605 56.100 -0.100 0.000 1.666 17 R CB 0.417 30.675 30.300 -0.070 0.000 1.237 17 R HN 0.431 nan 8.270 nan 0.000 0.633 18 I N 3.052 123.549 120.570 -0.121 0.000 2.312 18 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 18 I C 0.612 176.638 176.117 -0.152 0.000 1.008 18 I CA -1.483 59.759 61.300 -0.098 0.000 1.226 18 I CB 0.884 38.850 38.000 -0.055 0.000 1.371 18 I HN 0.299 nan 8.210 nan 0.000 0.468 19 I N 7.004 127.478 120.570 -0.160 0.000 2.741 19 I HA -0.010 4.160 4.170 -0.000 0.000 0.288 19 I C 0.870 176.777 176.117 -0.351 0.000 1.192 19 I CA 0.540 61.678 61.300 -0.269 0.000 1.426 19 I CB -0.558 37.308 38.000 -0.223 0.000 1.367 19 I HN 0.453 nan 8.210 nan 0.000 0.563 20 R N 5.396 125.545 120.500 -0.585 0.000 2.922 20 R HA 0.566 4.905 4.340 -0.000 0.000 0.256 20 R C -1.367 174.662 176.300 -0.452 0.000 1.138 20 R CA -0.971 54.842 56.100 -0.479 0.000 0.995 20 R CB 1.574 31.560 30.300 -0.523 0.000 1.226 20 R HN 0.325 nan 8.270 nan 0.000 0.481 21 Y N 0.486 121.002 120.300 0.361 0.000 2.409 21 Y HA 0.483 5.033 4.550 -0.000 0.000 0.343 21 Y C -0.124 176.259 175.900 0.805 0.000 0.973 21 Y CA -0.920 57.490 58.100 0.517 0.000 1.064 21 Y CB 1.521 40.155 38.460 0.289 0.000 1.207 21 Y HN 0.440 nan 8.280 nan 0.000 0.452 22 F N 0.386 120.711 119.950 0.626 0.000 2.563 22 F HA 0.580 5.107 4.527 -0.000 0.000 0.316 22 F C -1.470 174.546 175.800 0.358 0.000 1.076 22 F CA -2.145 56.123 58.000 0.448 0.000 0.921 22 F CB 0.659 39.694 39.000 0.057 0.000 1.209 22 F HN 0.412 nan 8.300 nan 0.000 0.462 23 Y N 3.254 123.634 120.300 0.134 0.000 2.465 23 Y HA 0.258 4.808 4.550 0.000 0.000 0.331 23 Y C -0.097 175.734 175.900 -0.116 0.000 1.102 23 Y CA -0.065 57.986 58.100 -0.082 0.000 1.358 23 Y CB 0.290 38.746 38.460 -0.006 0.000 1.213 23 Y HN 0.764 nan 8.280 nan 0.000 0.525 24 N N 5.089 123.319 118.700 -0.784 0.000 2.609 24 N HA 0.241 4.981 4.740 -0.000 0.000 0.234 24 N C 0.472 175.619 175.510 -0.605 0.000 1.001 24 N CA 0.419 53.197 53.050 -0.453 0.000 0.926 24 N CB 1.014 39.273 38.487 -0.380 0.000 1.130 24 N HN 0.865 nan 8.380 nan 0.000 0.510 25 A N 4.373 126.984 122.820 -0.349 0.000 1.917 25 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 25 A C 2.146 179.655 177.584 -0.124 0.000 1.182 25 A CA 1.255 53.195 52.037 -0.161 0.000 0.633 25 A CB -0.385 18.656 19.000 0.069 0.000 0.819 25 A HN 0.655 nan 8.150 nan 0.000 0.448 26 K N -0.253 120.093 120.400 -0.089 0.000 1.977 26 K HA -0.148 4.172 4.320 -0.000 0.000 0.218 26 K C 2.099 178.650 176.600 -0.083 0.000 1.051 26 K CA 1.732 57.986 56.287 -0.054 0.000 0.953 26 K CB -0.583 31.903 32.500 -0.022 0.000 0.727 26 K HN 0.388 nan 8.250 nan 0.000 0.445 27 A N -0.115 122.632 122.820 -0.120 0.000 2.209 27 A HA 0.084 4.404 4.320 -0.000 0.000 0.212 27 A C 1.229 178.722 177.584 -0.153 0.000 1.158 27 A CA 1.414 53.380 52.037 -0.118 0.000 0.742 27 A CB -0.540 18.391 19.000 -0.114 0.000 0.790 27 A HN 0.637 nan 8.150 nan 0.000 0.472 28 G N -1.324 107.336 108.800 -0.235 0.000 2.221 28 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.265 28 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.265 28 G C -0.200 174.580 174.900 -0.201 0.000 1.041 28 G CA 0.760 45.746 45.100 -0.191 0.000 0.807 28 G HN 1.565 nan 8.290 nan 0.000 0.502 29 L N -4.400 116.561 121.223 -0.437 0.000 2.671 29 L HA 0.769 5.109 4.340 -0.000 0.000 0.259 29 L C 0.241 176.911 176.870 -0.333 0.000 1.021 29 L CA -1.960 52.746 54.840 -0.222 0.000 0.871 29 L CB 0.098 42.090 42.059 -0.112 0.000 1.472 29 L HN 0.106 nan 8.230 nan 0.000 0.410 30 c N 0.662 119.198 118.600 -0.107 0.000 2.601 30 c HA 0.660 5.230 4.570 -0.000 0.000 0.409 30 c C 0.411 174.403 174.090 -0.164 0.000 1.293 30 c CA 0.013 56.261 56.329 -0.135 0.000 2.101 30 c CB 0.108 42.615 42.510 -0.005 0.000 2.639 30 c HN 0.786 nan 8.230 nan 0.000 0.592 31 Q N 0.234 119.824 119.800 -0.349 0.000 2.552 31 Q HA 0.525 4.865 4.340 -0.000 0.000 0.289 31 Q C -0.263 175.839 176.000 0.169 0.000 1.097 31 Q CA -0.549 55.179 55.803 -0.125 0.000 0.812 31 Q CB 1.871 30.472 28.738 -0.227 0.000 1.460 31 Q HN 0.802 nan 8.270 nan 0.000 0.452 32 T N -1.013 113.675 114.554 0.223 0.000 2.910 32 T HA 0.636 4.986 4.350 -0.000 0.000 0.293 32 T C -0.478 174.490 174.700 0.447 0.000 1.015 32 T CA -0.441 61.738 62.100 0.131 0.000 1.094 32 T CB 0.234 69.088 68.868 -0.024 0.000 0.968 32 T HN 0.470 nan 8.240 nan 0.000 0.521 33 F N -0.413 119.605 119.950 0.114 0.000 2.668 33 F HA 0.669 5.196 4.527 -0.000 0.000 0.309 33 F C -1.531 174.273 175.800 0.007 0.000 1.117 33 F CA -1.788 56.253 58.000 0.067 0.000 0.951 33 F CB 0.812 39.807 39.000 -0.008 0.000 1.323 33 F HN 0.437 nan 8.300 nan 0.000 0.451 34 V N 3.613 123.502 119.914 -0.042 0.000 2.427 34 V HA 0.102 4.222 4.120 -0.000 0.000 0.268 34 V C -0.778 175.211 176.094 -0.175 0.000 1.046 34 V CA -0.189 62.014 62.300 -0.161 0.000 0.970 34 V CB 0.114 31.908 31.823 -0.048 0.000 1.001 34 V HN 0.728 nan 8.190 nan 0.000 0.476 35 Y N 3.912 123.929 120.300 -0.472 0.000 2.342 35 Y HA 0.626 5.176 4.550 -0.000 0.000 0.334 35 Y C 1.087 176.890 175.900 -0.161 0.000 1.067 35 Y CA -0.831 57.091 58.100 -0.298 0.000 1.128 35 Y CB 1.896 40.129 38.460 -0.378 0.000 1.200 35 Y HN 0.574 nan 8.280 nan 0.000 0.464 36 G N 1.865 110.332 108.800 -0.554 0.000 2.539 36 G HA2 0.313 4.273 3.960 -0.000 0.000 0.215 36 G HA3 0.313 4.273 3.960 -0.000 0.000 0.215 36 G C 0.911 175.444 174.900 -0.613 0.000 1.141 36 G CA 0.480 45.300 45.100 -0.467 0.000 0.806 36 G HN 1.520 nan 8.290 nan 0.000 0.533 37 G N -1.691 106.412 108.800 -1.162 0.000 2.624 37 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.190 37 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.190 37 G C 0.338 174.972 174.900 -0.444 0.000 1.008 37 G CA 0.296 44.921 45.100 -0.791 0.000 0.731 37 G HN 1.299 nan 8.290 nan 0.000 0.478 38 c N -1.186 117.232 118.600 -0.303 0.000 2.889 38 c HA 0.885 5.455 4.570 -0.000 0.000 0.307 38 c C 0.854 175.045 174.090 0.168 0.000 1.251 38 c CA -0.463 55.867 56.329 0.002 0.000 1.593 38 c CB 1.348 43.849 42.510 -0.015 0.000 2.104 38 c HN 0.949 nan 8.230 nan 0.000 0.476 39 R N -0.125 120.506 120.500 0.218 0.000 3.423 39 R HA -0.072 4.267 4.340 -0.000 0.000 0.271 39 R C 0.338 176.868 176.300 0.384 0.000 1.093 39 R CA 0.760 57.013 56.100 0.255 0.000 0.730 39 R CB -1.930 28.516 30.300 0.242 0.000 1.190 39 R HN 1.323 nan 8.270 nan 0.000 0.437 40 A N 1.081 124.112 122.820 0.352 0.000 2.445 40 A HA 0.330 4.650 4.320 -0.000 0.000 0.242 40 A C 0.568 178.223 177.584 0.118 0.000 1.075 40 A CA 0.196 52.357 52.037 0.207 0.000 0.777 40 A CB 0.461 19.361 19.000 -0.166 0.000 1.013 40 A HN 0.289 nan 8.150 nan 0.000 0.493 41 K N 0.395 120.861 120.400 0.110 0.000 2.210 41 K HA 0.361 4.681 4.320 -0.000 0.000 0.236 41 K C 0.871 177.428 176.600 -0.072 0.000 1.016 41 K CA -0.861 55.425 56.287 -0.000 0.000 0.913 41 K CB 1.023 33.517 32.500 -0.010 0.000 1.141 41 K HN 0.654 nan 8.250 nan 0.000 0.462 42 R N 0.520 120.951 120.500 -0.115 0.000 2.148 42 R HA -0.067 4.273 4.340 -0.000 0.000 0.223 42 R C 0.620 176.842 176.300 -0.131 0.000 1.088 42 R CA 0.648 56.577 56.100 -0.284 0.000 0.985 42 R CB -0.189 29.811 30.300 -0.499 0.000 0.880 42 R HN 0.393 nan 8.270 nan 0.000 0.451 43 N N 2.061 120.853 118.700 0.154 0.000 3.050 43 N HA -0.035 4.705 4.740 -0.000 0.000 0.289 43 N C -1.399 174.197 175.510 0.143 0.000 1.209 43 N CA 0.101 53.327 53.050 0.293 0.000 1.154 43 N CB -0.270 38.416 38.487 0.331 0.000 1.444 43 N HN 0.080 nan 8.380 nan 0.000 0.529 44 N N 2.500 121.118 118.700 -0.137 0.000 2.697 44 N HA 0.165 4.905 4.740 -0.000 0.000 0.271 44 N C -2.045 173.314 175.510 -0.252 0.000 1.149 44 N CA -0.256 52.815 53.050 0.036 0.000 0.939 44 N CB 0.103 38.585 38.487 -0.009 0.000 1.534 44 N HN 0.002 nan 8.380 nan 0.000 0.556 45 F N 2.396 122.520 119.950 0.290 0.000 2.518 45 F HA 0.432 4.959 4.527 -0.000 0.000 0.323 45 F C 1.628 177.586 175.800 0.263 0.000 1.129 45 F CA -0.820 57.323 58.000 0.238 0.000 0.920 45 F CB 2.354 41.514 39.000 0.268 0.000 1.160 45 F HN 0.355 nan 8.300 nan 0.000 0.440 46 K N 0.898 121.503 120.400 0.341 0.000 2.063 46 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 46 K C 0.696 177.500 176.600 0.341 0.000 1.048 46 K CA 1.096 57.547 56.287 0.273 0.000 0.928 46 K CB 0.094 32.697 32.500 0.172 0.000 0.713 46 K HN 0.481 nan 8.250 nan 0.000 0.442 47 S N -1.289 114.575 115.700 0.274 0.000 2.454 47 S HA 0.439 4.909 4.470 -0.000 0.000 0.306 47 S C 0.550 175.061 174.600 -0.150 0.000 1.100 47 S CA -0.326 57.920 58.200 0.078 0.000 1.087 47 S CB 1.782 65.003 63.200 0.035 0.000 1.019 47 S HN 0.277 nan 8.310 nan 0.000 0.480 48 A N 3.733 126.172 122.820 -0.635 0.000 1.933 48 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 48 A C 1.971 179.295 177.584 -0.432 0.000 1.175 48 A CA 1.794 53.290 52.037 -0.901 0.000 0.628 48 A CB -0.867 17.429 19.000 -1.174 0.000 0.814 48 A HN 0.980 nan 8.150 nan 0.000 0.444 49 E N -0.173 119.852 120.200 -0.292 0.000 2.077 49 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 49 E C 1.251 177.725 176.600 -0.210 0.000 0.989 49 E CA 1.480 57.759 56.400 -0.201 0.000 0.800 49 E CB -0.209 29.414 29.700 -0.128 0.000 0.746 49 E HN 0.527 nan 8.360 nan 0.000 0.452 50 D N 0.378 120.662 120.400 -0.194 0.000 2.104 50 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 50 D C 2.022 177.974 176.300 -0.580 0.000 0.994 50 D CA 1.203 55.084 54.000 -0.200 0.000 0.830 50 D CB -0.823 39.987 40.800 0.017 0.000 0.959 50 D HN 0.244 nan 8.370 nan 0.000 0.452 51 c N 0.455 118.521 118.600 -0.890 0.000 2.413 51 c HA -0.143 4.427 4.570 -0.000 0.000 0.277 51 c C 2.806 176.558 174.090 -0.564 0.000 1.228 51 c CA 0.841 56.424 56.329 -1.243 0.000 1.731 51 c CB -1.114 41.006 42.510 -0.650 0.000 2.042 51 c HN 0.316 nan 8.230 nan 0.000 0.468 52 M N -0.099 119.299 119.600 -0.337 0.000 2.149 52 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 52 M C 2.471 178.648 176.300 -0.204 0.000 1.064 52 M CA 2.094 57.273 55.300 -0.201 0.000 1.102 52 M CB -0.643 31.869 32.600 -0.148 0.000 1.369 52 M HN 0.451 nan 8.290 nan 0.000 0.408 53 R N -0.255 120.118 120.500 -0.211 0.000 2.093 53 R HA -0.072 4.268 4.340 -0.000 0.000 0.224 53 R C 1.831 178.042 176.300 -0.148 0.000 1.101 53 R CA 1.596 57.607 56.100 -0.149 0.000 0.979 53 R CB -0.104 30.131 30.300 -0.108 0.000 0.877 53 R HN 0.225 nan 8.270 nan 0.000 0.441 54 T N -0.712 113.734 114.554 -0.180 0.000 2.857 54 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 54 T C 1.286 175.872 174.700 -0.189 0.000 1.048 54 T CA 1.067 63.111 62.100 -0.094 0.000 1.139 54 T CB 0.064 68.971 68.868 0.066 0.000 0.874 54 T HN 0.346 nan 8.240 nan 0.000 0.455 55 c N 1.673 120.071 118.600 -0.337 0.000 3.125 55 c HA 0.547 5.117 4.570 -0.000 0.000 0.284 55 c C 1.619 175.239 174.090 -0.783 0.000 1.386 55 c CA -1.545 54.428 56.329 -0.593 0.000 1.763 55 c CB -1.013 41.101 42.510 -0.660 0.000 2.377 55 c HN 0.556 nan 8.230 nan 0.000 0.620 56 G N 0.000 108.558 108.800 -0.404 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 44.955 45.100 -0.242 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000