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 1eaw_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 0.000 176.132 176.300 -0.279 0.000 0.893 1 R CA 0.000 55.972 56.100 -0.213 0.000 0.921 1 R CB 0.000 30.207 30.300 -0.155 0.000 0.687 2 P HA 0.002 nan 4.420 nan 0.000 0.255 2 P C -0.334 176.593 177.300 -0.622 0.000 1.151 2 P CA 0.843 63.528 63.100 -0.692 0.000 0.767 2 P CB 0.258 31.166 31.700 -1.320 0.000 0.736 3 D N 2.319 122.502 120.400 -0.362 0.000 2.190 3 D HA -0.200 4.409 4.640 -0.051 0.000 0.200 3 D C 1.359 177.612 176.300 -0.079 0.000 0.992 3 D CA 1.231 55.135 54.000 -0.161 0.000 0.854 3 D CB -0.564 40.199 40.800 -0.062 0.000 0.936 3 D HN 0.550 nan 8.370 nan 0.000 0.462 4 F N -0.435 119.523 119.950 0.014 0.000 2.451 4 F HA 0.025 4.523 4.527 -0.048 0.000 0.299 4 F C 1.781 177.616 175.800 0.059 0.000 1.101 4 F CA -0.371 57.639 58.000 0.018 0.000 1.436 4 F CB -1.248 37.748 39.000 -0.006 0.000 1.074 4 F HN -0.023 nan 8.300 nan 0.000 0.553 5 c N 1.299 119.888 118.600 -0.018 0.000 2.435 5 c HA -0.009 4.531 4.570 -0.051 0.000 0.279 5 c C 2.682 176.900 174.090 0.214 0.000 1.321 5 c CA 0.602 57.014 56.329 0.139 0.000 1.752 5 c CB -1.258 41.152 42.510 -0.166 0.000 1.959 5 c HN 0.561 nan 8.230 nan 0.000 0.500 6 L N 0.289 121.583 121.223 0.120 0.000 2.591 6 L HA 0.114 4.424 4.340 -0.051 0.000 0.228 6 L C 0.672 177.625 176.870 0.140 0.000 1.133 6 L CA 0.576 55.499 54.840 0.139 0.000 0.880 6 L CB -0.510 41.594 42.059 0.075 0.000 1.033 6 L HN 0.355 nan 8.230 nan 0.000 0.450 7 E N 1.658 121.953 120.200 0.159 0.000 2.313 7 E HA 0.279 4.599 4.350 -0.051 0.000 0.272 7 E C -2.033 174.656 176.600 0.148 0.000 1.038 7 E CA -2.129 54.348 56.400 0.128 0.000 0.863 7 E CB 0.780 30.545 29.700 0.109 0.000 1.060 7 E HN -0.044 nan 8.360 nan 0.000 0.402 8 P HA 0.114 nan 4.420 nan 0.000 0.269 8 P C -2.438 174.839 177.300 -0.039 0.000 1.215 8 P CA -1.126 62.013 63.100 0.065 0.000 0.780 8 P CB -0.427 31.301 31.700 0.045 0.000 0.898 9 P HA 0.030 nan 4.420 nan 0.000 0.264 9 P C -0.902 176.290 177.300 -0.179 0.000 1.229 9 P CA 0.214 62.925 63.100 -0.648 0.000 0.780 9 P CB -0.145 30.628 31.700 -1.545 0.000 0.808 10 Y N 3.418 123.638 120.300 -0.133 0.000 2.350 10 Y HA 0.165 4.689 4.550 -0.043 0.000 0.340 10 Y C 1.378 177.445 175.900 0.278 0.000 1.006 10 Y CA 0.328 58.465 58.100 0.061 0.000 1.166 10 Y CB 0.947 39.435 38.460 0.048 0.000 1.168 10 Y HN 0.293 nan 8.280 nan 0.000 0.502 11 T N 3.765 118.217 114.554 -0.170 0.000 2.755 11 T HA 0.369 4.689 4.350 -0.051 0.000 0.251 11 T C 0.372 174.859 174.700 -0.355 0.000 1.044 11 T CA 1.255 63.289 62.100 -0.110 0.000 1.154 11 T CB -0.699 68.092 68.868 -0.128 0.000 0.866 11 T HN 1.123 nan 8.240 nan 0.000 0.416 12 G N 0.945 109.296 108.800 -0.749 0.000 2.459 12 G HA2 0.003 3.932 3.960 -0.051 0.000 0.685 12 G HA3 0.003 3.932 3.960 -0.051 0.000 0.685 12 G C -2.268 172.461 174.900 -0.285 0.000 1.303 12 G CA -0.282 44.470 45.100 -0.579 0.000 0.907 12 G HN 0.097 nan 8.290 nan 0.000 0.632 13 P HA 0.101 nan 4.420 nan 0.000 0.222 13 P C 1.190 178.425 177.300 -0.109 0.000 1.153 13 P CA 0.828 63.875 63.100 -0.089 0.000 0.798 13 P CB 0.084 31.770 31.700 -0.023 0.000 0.796 14 c N 1.035 119.548 118.600 -0.146 0.000 2.639 14 c HA 0.211 4.751 4.570 -0.051 0.000 0.360 14 c C 1.259 175.240 174.090 -0.181 0.000 1.351 14 c CA -0.185 56.050 56.329 -0.158 0.000 2.408 14 c CB -0.188 42.207 42.510 -0.191 0.000 2.517 14 c HN 0.205 nan 8.230 nan 0.000 0.696 15 K N 0.897 121.204 120.400 -0.156 0.000 3.122 15 K HA 0.470 4.759 4.320 -0.051 0.000 0.193 15 K C -0.235 176.276 176.600 -0.147 0.000 1.141 15 K CA 0.038 56.238 56.287 -0.145 0.000 0.975 15 K CB 0.663 33.102 32.500 -0.102 0.000 1.173 15 K HN 0.694 nan 8.250 nan 0.000 0.546 16 A N 1.436 124.139 122.820 -0.196 0.000 2.248 16 A HA 0.542 4.832 4.320 -0.051 0.000 0.316 16 A C -0.327 177.152 177.584 -0.176 0.000 1.101 16 A CA -0.681 51.251 52.037 -0.175 0.000 0.875 16 A CB 0.685 19.562 19.000 -0.205 0.000 1.207 16 A HN 0.494 nan 8.150 nan 0.000 0.504 17 R N 1.009 121.424 120.500 -0.142 0.000 2.564 17 R HA 0.458 4.767 4.340 -0.051 0.000 0.282 17 R C -1.773 174.449 176.300 -0.129 0.000 1.573 17 R CA -0.135 55.883 56.100 -0.136 0.000 1.588 17 R CB -0.089 30.149 30.300 -0.102 0.000 1.154 17 R HN 0.643 nan 8.270 nan 0.000 0.606 18 I N 4.709 125.188 120.570 -0.152 0.000 2.328 18 I HA 0.270 4.410 4.170 -0.051 0.000 0.287 18 I C 0.303 176.302 176.117 -0.197 0.000 1.012 18 I CA -0.984 60.245 61.300 -0.118 0.000 1.195 18 I CB 1.375 39.353 38.000 -0.036 0.000 1.350 18 I HN 0.298 nan 8.210 nan 0.000 0.464 19 I N 6.872 127.327 120.570 -0.191 0.000 2.533 19 I HA 0.200 4.340 4.170 -0.051 0.000 0.284 19 I C 0.502 176.426 176.117 -0.321 0.000 1.109 19 I CA 0.343 61.478 61.300 -0.274 0.000 1.412 19 I CB 0.012 37.882 38.000 -0.216 0.000 1.396 19 I HN 0.532 nan 8.210 nan 0.000 0.543 20 R N 5.309 125.549 120.500 -0.433 0.000 2.867 20 R HA 0.486 4.795 4.340 -0.051 0.000 0.268 20 R C -1.244 175.134 176.300 0.130 0.000 1.014 20 R CA -0.953 55.039 56.100 -0.180 0.000 0.946 20 R CB 1.635 31.885 30.300 -0.084 0.000 1.208 20 R HN 0.266 nan 8.270 nan 0.000 0.477 21 Y N 1.082 121.726 120.300 0.574 0.000 2.387 21 Y HA 0.534 5.057 4.550 -0.045 0.000 0.330 21 Y C 0.259 176.611 175.900 0.754 0.000 1.133 21 Y CA -0.644 57.811 58.100 0.592 0.000 1.152 21 Y CB 1.106 39.756 38.460 0.317 0.000 1.215 21 Y HN 0.467 nan 8.280 nan 0.000 0.466 22 F N 0.283 120.507 119.950 0.457 0.000 2.613 22 F HA 0.505 5.003 4.527 -0.048 0.000 0.310 22 F C -1.879 174.077 175.800 0.260 0.000 1.085 22 F CA -2.312 55.870 58.000 0.304 0.000 0.945 22 F CB 0.577 39.482 39.000 -0.158 0.000 1.298 22 F HN 0.402 nan 8.300 nan 0.000 0.455 23 Y N 3.480 123.676 120.300 -0.174 0.000 2.359 23 Y HA 0.316 4.835 4.550 -0.052 0.000 0.334 23 Y C 0.063 175.652 175.900 -0.518 0.000 1.058 23 Y CA -0.167 57.731 58.100 -0.336 0.000 1.244 23 Y CB 0.403 38.807 38.460 -0.094 0.000 1.187 23 Y HN 0.786 nan 8.280 nan 0.000 0.510 24 N N 5.484 123.534 118.700 -1.084 0.000 2.469 24 N HA 0.173 4.882 4.740 -0.051 0.000 0.239 24 N C 0.492 175.532 175.510 -0.784 0.000 1.053 24 N CA 0.558 53.158 53.050 -0.751 0.000 0.937 24 N CB 1.102 39.261 38.487 -0.546 0.000 1.163 24 N HN 0.971 nan 8.380 nan 0.000 0.509 25 A N 5.068 127.688 122.820 -0.333 0.000 1.848 25 A HA -0.231 4.059 4.320 -0.051 0.000 0.217 25 A C 1.489 179.007 177.584 -0.110 0.000 1.220 25 A CA 2.033 54.032 52.037 -0.064 0.000 0.645 25 A CB -0.633 18.427 19.000 0.101 0.000 0.842 25 A HN 0.812 nan 8.150 nan 0.000 0.451 26 K N -0.416 119.944 120.400 -0.067 0.000 2.743 26 K HA 0.423 4.712 4.320 -0.051 0.000 0.219 26 K C 0.403 176.949 176.600 -0.090 0.000 1.003 26 K CA 0.843 57.100 56.287 -0.050 0.000 1.156 26 K CB -0.244 32.246 32.500 -0.016 0.000 0.932 26 K HN 0.387 nan 8.250 nan 0.000 0.490 27 A N -0.067 122.645 122.820 -0.181 0.000 2.733 27 A HA 0.403 4.693 4.320 -0.051 0.000 0.232 27 A C 1.456 178.887 177.584 -0.255 0.000 1.251 27 A CA 0.022 51.947 52.037 -0.187 0.000 1.015 27 A CB 0.039 18.928 19.000 -0.184 0.000 1.291 27 A HN 0.441 nan 8.150 nan 0.000 0.595 28 G N -0.329 108.269 108.800 -0.336 0.000 2.391 28 G HA2 -0.280 3.650 3.960 -0.051 0.000 0.261 28 G HA3 -0.280 3.650 3.960 -0.051 0.000 0.261 28 G C 0.270 174.970 174.900 -0.334 0.000 0.985 28 G CA 1.265 46.205 45.100 -0.267 0.000 0.638 28 G HN 0.527 nan 8.290 nan 0.000 0.562 29 L N 0.164 121.154 121.223 -0.388 0.000 2.331 29 L HA 0.528 4.838 4.340 -0.051 0.000 0.275 29 L C 0.970 177.593 176.870 -0.412 0.000 1.022 29 L CA -0.783 53.888 54.840 -0.281 0.000 0.812 29 L CB 1.220 43.180 42.059 -0.166 0.000 1.257 29 L HN 0.195 nan 8.230 nan 0.000 0.435 30 c N 1.759 120.207 118.600 -0.253 0.000 2.604 30 c HA 0.477 5.017 4.570 -0.051 0.000 0.396 30 c C 0.713 174.707 174.090 -0.160 0.000 1.282 30 c CA -0.319 55.854 56.329 -0.260 0.000 2.292 30 c CB 1.227 43.675 42.510 -0.103 0.000 2.633 30 c HN 0.771 nan 8.230 nan 0.000 0.620 31 Q N -0.331 119.398 119.800 -0.118 0.000 3.093 31 Q HA 0.512 4.821 4.340 -0.051 0.000 0.330 31 Q C -0.689 175.716 176.000 0.674 0.000 0.947 31 Q CA -0.586 55.380 55.803 0.271 0.000 0.801 31 Q CB 1.643 30.523 28.738 0.236 0.000 1.470 31 Q HN 0.785 nan 8.270 nan 0.000 0.498 32 T N -1.084 113.801 114.554 0.552 0.000 2.943 32 T HA 0.803 5.123 4.350 -0.051 0.000 0.284 32 T C -0.604 174.362 174.700 0.443 0.000 1.015 32 T CA -0.541 61.785 62.100 0.378 0.000 1.042 32 T CB 0.780 69.731 68.868 0.139 0.000 1.055 32 T HN 0.525 nan 8.240 nan 0.000 0.500 33 F N -0.663 119.286 119.950 -0.002 0.000 2.799 33 F HA 0.586 5.088 4.527 -0.042 0.000 0.316 33 F C -1.655 174.107 175.800 -0.063 0.000 1.155 33 F CA -1.864 56.085 58.000 -0.085 0.000 0.916 33 F CB 0.592 39.437 39.000 -0.259 0.000 1.294 33 F HN 0.630 nan 8.300 nan 0.000 0.447 34 V N 1.133 120.819 119.914 -0.380 0.000 2.394 34 V HA 0.558 4.648 4.120 -0.051 0.000 0.282 34 V C -1.265 174.547 176.094 -0.470 0.000 1.031 34 V CA -0.627 61.400 62.300 -0.454 0.000 0.881 34 V CB 0.877 32.573 31.823 -0.211 0.000 0.982 34 V HN 1.005 nan 8.190 nan 0.000 0.451 35 Y N 4.537 124.447 120.300 -0.650 0.000 2.341 35 Y HA 0.653 5.187 4.550 -0.026 0.000 0.340 35 Y C 1.273 177.033 175.900 -0.233 0.000 0.997 35 Y CA -0.549 57.315 58.100 -0.394 0.000 1.149 35 Y CB 1.637 39.886 38.460 -0.352 0.000 1.171 35 Y HN 0.822 nan 8.280 nan 0.000 0.494 36 G N 2.986 111.462 108.800 -0.539 0.000 2.501 36 G HA2 0.112 4.041 3.960 -0.051 0.000 0.220 36 G HA3 0.112 4.041 3.960 -0.051 0.000 0.220 36 G C 1.159 175.648 174.900 -0.685 0.000 1.114 36 G CA 0.653 45.443 45.100 -0.518 0.000 0.757 36 G HN 1.683 nan 8.290 nan 0.000 0.559 37 G N -2.601 105.362 108.800 -1.394 0.000 2.184 37 G HA2 -0.212 3.718 3.960 -0.051 0.000 0.206 37 G HA3 -0.212 3.718 3.960 -0.051 0.000 0.206 37 G C 0.104 174.646 174.900 -0.597 0.000 0.995 37 G CA 0.098 44.634 45.100 -0.940 0.000 0.651 37 G HN 0.801 nan 8.290 nan 0.000 0.511 38 c N -0.457 117.812 118.600 -0.552 0.000 3.236 38 c HA 0.824 5.363 4.570 -0.051 0.000 0.312 38 c C 0.877 175.133 174.090 0.277 0.000 1.374 38 c CA -0.668 55.658 56.329 -0.005 0.000 1.455 38 c CB 1.915 44.404 42.510 -0.036 0.000 1.834 38 c HN 0.642 nan 8.230 nan 0.000 0.460 39 R N -0.771 119.892 120.500 0.271 0.000 3.722 39 R HA -0.192 4.118 4.340 -0.051 0.000 0.284 39 R C 0.370 176.917 176.300 0.412 0.000 1.165 39 R CA 0.915 57.200 56.100 0.307 0.000 0.779 39 R CB -2.383 28.140 30.300 0.370 0.000 1.179 39 R HN 1.229 nan 8.270 nan 0.000 0.491 40 A N 1.192 124.241 122.820 0.383 0.000 2.615 40 A HA 0.121 4.411 4.320 -0.051 0.000 0.230 40 A C 0.708 178.294 177.584 0.003 0.000 1.062 40 A CA 0.738 52.783 52.037 0.013 0.000 0.758 40 A CB 0.333 19.043 19.000 -0.483 0.000 0.995 40 A HN 0.294 nan 8.150 nan 0.000 0.511 41 K N 0.506 120.880 120.400 -0.044 0.000 2.221 41 K HA 0.359 4.649 4.320 -0.051 0.000 0.243 41 K C 0.838 177.264 176.600 -0.291 0.000 0.968 41 K CA -0.915 55.294 56.287 -0.129 0.000 0.846 41 K CB 1.691 34.149 32.500 -0.070 0.000 1.141 41 K HN 0.668 nan 8.250 nan 0.000 0.434 42 R N 0.565 120.802 120.500 -0.438 0.000 2.154 42 R HA -0.183 4.126 4.340 -0.051 0.000 0.248 42 R C 0.783 176.620 176.300 -0.772 0.000 1.155 42 R CA 1.354 56.949 56.100 -0.841 0.000 0.979 42 R CB -0.251 29.083 30.300 -1.610 0.000 0.869 42 R HN 0.400 nan 8.270 nan 0.000 0.452 43 N N 1.347 119.872 118.700 -0.292 0.000 3.298 43 N HA -0.022 4.688 4.740 -0.051 0.000 0.292 43 N C -1.543 173.923 175.510 -0.075 0.000 1.271 43 N CA -0.204 52.858 53.050 0.020 0.000 1.184 43 N CB -0.074 38.612 38.487 0.332 0.000 1.452 43 N HN 0.102 nan 8.380 nan 0.000 0.534 44 N N 1.779 120.207 118.700 -0.453 0.000 2.752 44 N HA 0.206 4.916 4.740 -0.051 0.000 0.268 44 N C -1.856 173.473 175.510 -0.301 0.000 1.190 44 N CA -0.444 52.575 53.050 -0.052 0.000 0.897 44 N CB -0.043 38.466 38.487 0.036 0.000 1.515 44 N HN -0.078 nan 8.380 nan 0.000 0.567 45 F N 1.369 121.462 119.950 0.239 0.000 2.697 45 F HA 0.612 5.108 4.527 -0.050 0.000 0.386 45 F C 1.785 177.712 175.800 0.211 0.000 1.154 45 F CA -0.973 57.138 58.000 0.185 0.000 1.108 45 F CB 0.701 39.820 39.000 0.198 0.000 1.429 45 F HN 0.284 nan 8.300 nan 0.000 0.509 46 K N -0.121 120.529 120.400 0.416 0.000 2.190 46 K HA 0.142 4.432 4.320 -0.051 0.000 0.202 46 K C 0.306 177.179 176.600 0.455 0.000 1.045 46 K CA 0.845 57.318 56.287 0.309 0.000 0.976 46 K CB 0.224 32.843 32.500 0.198 0.000 0.849 46 K HN 0.708 nan 8.250 nan 0.000 0.468 47 S N -1.196 114.741 115.700 0.395 0.000 2.664 47 S HA 0.522 4.962 4.470 -0.051 0.000 0.304 47 S C 0.913 175.480 174.600 -0.056 0.000 1.099 47 S CA -0.301 58.063 58.200 0.273 0.000 1.003 47 S CB 1.824 65.087 63.200 0.105 0.000 1.092 47 S HN 0.178 nan 8.310 nan 0.000 0.525 48 A N 0.918 123.342 122.820 -0.661 0.000 1.940 48 A HA -0.055 4.235 4.320 -0.051 0.000 0.219 48 A C 1.905 179.284 177.584 -0.342 0.000 1.176 48 A CA 1.808 53.389 52.037 -0.759 0.000 0.631 48 A CB -1.125 17.425 19.000 -0.750 0.000 0.814 48 A HN 0.866 nan 8.150 nan 0.000 0.446 49 E N 0.616 120.686 120.200 -0.218 0.000 2.012 49 E HA -0.174 4.146 4.350 -0.051 0.000 0.197 49 E C 1.683 178.195 176.600 -0.145 0.000 1.007 49 E CA 1.566 57.883 56.400 -0.139 0.000 0.816 49 E CB -0.473 29.184 29.700 -0.072 0.000 0.762 49 E HN 0.546 nan 8.360 nan 0.000 0.451 50 D N -0.380 119.968 120.400 -0.086 0.000 2.133 50 D HA -0.201 4.409 4.640 -0.051 0.000 0.192 50 D C 2.044 178.096 176.300 -0.414 0.000 1.001 50 D CA 1.193 55.159 54.000 -0.056 0.000 0.844 50 D CB -0.660 40.241 40.800 0.169 0.000 0.944 50 D HN 0.236 nan 8.370 nan 0.000 0.447 51 c N 0.260 118.425 118.600 -0.724 0.000 2.436 51 c HA -0.106 4.434 4.570 -0.051 0.000 0.277 51 c C 2.497 176.159 174.090 -0.714 0.000 1.241 51 c CA 0.594 56.056 56.329 -1.446 0.000 1.721 51 c CB -0.909 41.195 42.510 -0.676 0.000 2.043 51 c HN 0.310 nan 8.230 nan 0.000 0.472 52 M N 0.998 120.377 119.600 -0.368 0.000 2.549 52 M HA -0.045 4.405 4.480 -0.051 0.000 0.260 52 M C 2.156 178.347 176.300 -0.181 0.000 1.076 52 M CA 1.137 56.314 55.300 -0.205 0.000 1.090 52 M CB -0.845 31.672 32.600 -0.139 0.000 1.418 52 M HN 0.653 nan 8.290 nan 0.000 0.486 53 R N -0.500 119.887 120.500 -0.188 0.000 2.280 53 R HA 0.034 4.344 4.340 -0.051 0.000 0.195 53 R C 1.348 177.597 176.300 -0.085 0.000 0.935 53 R CA 1.449 57.483 56.100 -0.109 0.000 1.033 53 R CB -0.353 29.907 30.300 -0.066 0.000 0.964 53 R HN 0.288 nan 8.270 nan 0.000 0.489 54 T N -4.675 109.816 114.554 -0.106 0.000 3.043 54 T HA 0.248 4.568 4.350 -0.051 0.000 0.272 54 T C 1.127 175.775 174.700 -0.087 0.000 0.990 54 T CA -0.313 61.782 62.100 -0.009 0.000 0.897 54 T CB 0.283 69.279 68.868 0.212 0.000 1.111 54 T HN 0.252 nan 8.240 nan 0.000 0.529 55 c N 1.373 119.827 118.600 -0.244 0.000 3.724 55 c HA 0.639 5.179 4.570 -0.051 0.000 0.327 55 c C 1.875 175.508 174.090 -0.762 0.000 1.490 55 c CA -0.678 55.349 56.329 -0.504 0.000 1.825 55 c CB -0.504 41.690 42.510 -0.527 0.000 2.613 55 c HN 0.779 nan 8.230 nan 0.000 0.692 56 G N 0.000 108.559 108.800 -0.401 0.000 0.000 56 G HA2 0.000 3.930 3.960 -0.051 0.000 0.000 56 G HA3 0.000 3.930 3.960 -0.051 0.000 0.000 56 G CA 0.000 44.957 45.100 -0.238 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000