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_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 0.000 176.139 176.300 -0.268 0.000 0.893 1 R CA 0.000 55.957 56.100 -0.238 0.000 0.921 1 R CB 0.000 30.145 30.300 -0.258 0.000 0.687 2 P HA -0.262 nan 4.420 nan 0.000 0.214 2 P C 0.087 177.165 177.300 -0.370 0.000 0.989 2 P CA 1.736 64.532 63.100 -0.507 0.000 1.008 2 P CB 0.186 31.170 31.700 -1.194 0.000 0.747 3 D N -7.055 113.096 120.400 -0.414 0.000 4.099 3 D HA -0.092 4.547 4.640 -0.001 0.000 0.353 3 D C 1.050 177.318 176.300 -0.054 0.000 0.385 3 D CA 0.568 54.470 54.000 -0.163 0.000 0.764 3 D CB -1.336 39.413 40.800 -0.086 0.000 1.548 3 D HN 0.194 nan 8.370 nan 0.000 0.162 4 F N 1.197 121.161 119.950 0.024 0.000 2.293 4 F HA 0.099 4.626 4.527 -0.000 0.000 0.300 4 F C 2.031 177.872 175.800 0.068 0.000 1.086 4 F CA 0.442 58.457 58.000 0.025 0.000 1.375 4 F CB -1.544 37.461 39.000 0.008 0.000 1.045 4 F HN 0.119 nan 8.300 nan 0.000 0.516 5 c N 1.213 119.972 118.600 0.265 0.000 2.413 5 c HA -0.138 4.431 4.570 -0.001 0.000 0.277 5 c C 2.691 176.974 174.090 0.321 0.000 1.265 5 c CA 0.612 57.152 56.329 0.351 0.000 1.752 5 c CB -1.535 40.986 42.510 0.019 0.000 1.998 5 c HN 0.505 nan 8.230 nan 0.000 0.489 6 L N 0.483 121.816 121.223 0.185 0.000 2.465 6 L HA 0.037 4.377 4.340 -0.001 0.000 0.224 6 L C 1.139 178.101 176.870 0.154 0.000 1.145 6 L CA 1.286 56.227 54.840 0.167 0.000 0.834 6 L CB -0.693 41.420 42.059 0.091 0.000 0.944 6 L HN 0.327 nan 8.230 nan 0.000 0.451 7 E N 1.345 121.645 120.200 0.168 0.000 2.313 7 E HA 0.203 4.553 4.350 -0.001 0.000 0.276 7 E C -2.083 174.577 176.600 0.099 0.000 1.031 7 E CA -2.218 54.248 56.400 0.111 0.000 0.857 7 E CB 0.087 29.846 29.700 0.097 0.000 1.040 7 E HN 0.018 nan 8.360 nan 0.000 0.408 8 P HA 0.112 nan 4.420 nan 0.000 0.269 8 P C -2.375 174.800 177.300 -0.208 0.000 1.215 8 P CA -1.087 61.979 63.100 -0.057 0.000 0.780 8 P CB -0.338 31.328 31.700 -0.057 0.000 0.898 9 P HA 0.058 nan 4.420 nan 0.000 0.268 9 P C -1.082 175.948 177.300 -0.450 0.000 1.205 9 P CA 0.380 62.903 63.100 -0.962 0.000 0.771 9 P CB 0.238 30.629 31.700 -2.181 0.000 0.858 10 Y N 1.466 121.543 120.300 -0.371 0.000 2.409 10 Y HA 0.327 4.877 4.550 -0.001 0.000 0.339 10 Y C 1.146 177.164 175.900 0.196 0.000 1.033 10 Y CA -0.116 57.945 58.100 -0.066 0.000 1.094 10 Y CB 1.954 40.398 38.460 -0.026 0.000 1.210 10 Y HN 0.302 nan 8.280 nan 0.000 0.456 11 T N 2.390 116.778 114.554 -0.277 0.000 3.071 11 T HA 0.451 4.801 4.350 -0.001 0.000 0.239 11 T C 0.374 174.834 174.700 -0.399 0.000 0.997 11 T CA 0.714 62.738 62.100 -0.126 0.000 1.134 11 T CB -0.287 68.517 68.868 -0.106 0.000 0.928 11 T HN 1.171 nan 8.240 nan 0.000 0.453 12 G N 1.371 109.619 108.800 -0.920 0.000 2.610 12 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.304 12 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.304 12 G C -2.347 172.375 174.900 -0.296 0.000 1.309 12 G CA -0.399 44.301 45.100 -0.666 0.000 0.906 12 G HN 0.185 nan 8.290 nan 0.000 0.521 13 P HA 0.260 nan 4.420 nan 0.000 0.228 13 P C 1.133 178.373 177.300 -0.099 0.000 1.166 13 P CA 0.527 63.574 63.100 -0.089 0.000 0.812 13 P CB 0.293 31.974 31.700 -0.030 0.000 0.857 14 c N 0.972 119.497 118.600 -0.125 0.000 2.727 14 c HA 0.095 4.664 4.570 -0.001 0.000 0.401 14 c C 1.363 175.359 174.090 -0.156 0.000 1.294 14 c CA 0.216 56.463 56.329 -0.137 0.000 2.134 14 c CB -0.310 42.097 42.510 -0.171 0.000 2.724 14 c HN 0.246 nan 8.230 nan 0.000 0.677 15 K N 1.214 121.536 120.400 -0.130 0.000 2.861 15 K HA 0.348 4.667 4.320 -0.001 0.000 0.210 15 K C 0.373 176.902 176.600 -0.118 0.000 1.112 15 K CA -0.140 56.077 56.287 -0.117 0.000 1.076 15 K CB 0.473 32.924 32.500 -0.081 0.000 0.853 15 K HN 0.706 nan 8.250 nan 0.000 0.463 16 A N 1.686 124.410 122.820 -0.160 0.000 2.372 16 A HA 0.380 4.699 4.320 -0.001 0.000 0.271 16 A C 0.263 177.771 177.584 -0.127 0.000 1.470 16 A CA -0.118 51.836 52.037 -0.137 0.000 0.827 16 A CB 0.395 19.294 19.000 -0.169 0.000 1.405 16 A HN 0.328 nan 8.150 nan 0.000 0.536 17 R N -0.097 120.341 120.500 -0.104 0.000 3.101 17 R HA 0.355 4.695 4.340 -0.001 0.000 0.242 17 R C -2.029 174.234 176.300 -0.061 0.000 1.831 17 R CA -0.018 56.034 56.100 -0.079 0.000 1.321 17 R CB -0.095 30.173 30.300 -0.054 0.000 1.512 17 R HN 0.656 nan 8.270 nan 0.000 0.568 18 I N 4.003 124.533 120.570 -0.066 0.000 2.562 18 I HA 0.452 4.622 4.170 -0.001 0.000 0.301 18 I C 0.388 176.464 176.117 -0.068 0.000 1.003 18 I CA -1.244 60.037 61.300 -0.030 0.000 1.127 18 I CB 1.976 39.998 38.000 0.038 0.000 1.304 18 I HN 0.195 nan 8.210 nan 0.000 0.446 19 I N 5.387 125.931 120.570 -0.044 0.000 2.328 19 I HA 0.452 4.622 4.170 -0.001 0.000 0.287 19 I C 0.056 176.160 176.117 -0.021 0.000 1.012 19 I CA -0.414 60.857 61.300 -0.049 0.000 1.195 19 I CB 0.472 38.506 38.000 0.056 0.000 1.350 19 I HN 0.533 nan 8.210 nan 0.000 0.464 20 R N 5.310 125.686 120.500 -0.207 0.000 2.919 20 R HA 0.583 4.922 4.340 -0.001 0.000 0.260 20 R C -0.929 175.665 176.300 0.489 0.000 1.067 20 R CA -0.837 55.257 56.100 -0.011 0.000 1.003 20 R CB 1.913 32.074 30.300 -0.231 0.000 1.192 20 R HN 0.433 nan 8.270 nan 0.000 0.488 21 Y N 0.903 121.418 120.300 0.358 0.000 2.387 21 Y HA 0.477 5.027 4.550 -0.001 0.000 0.336 21 Y C 0.111 176.492 175.900 0.802 0.000 1.067 21 Y CA -1.256 57.167 58.100 0.539 0.000 1.114 21 Y CB 1.585 40.246 38.460 0.334 0.000 1.208 21 Y HN 0.429 nan 8.280 nan 0.000 0.458 22 F N 0.485 120.815 119.950 0.633 0.000 2.556 22 F HA 0.431 4.957 4.527 -0.000 0.000 0.314 22 F C -1.429 174.600 175.800 0.382 0.000 1.106 22 F CA -2.172 56.086 58.000 0.430 0.000 0.911 22 F CB 0.375 39.359 39.000 -0.026 0.000 1.190 22 F HN 0.393 nan 8.300 nan 0.000 0.448 23 Y N 3.562 124.018 120.300 0.259 0.000 2.605 23 Y HA 0.201 4.751 4.550 -0.001 0.000 0.336 23 Y C 0.303 176.171 175.900 -0.053 0.000 1.111 23 Y CA 0.080 58.208 58.100 0.048 0.000 1.422 23 Y CB 0.112 38.676 38.460 0.174 0.000 1.193 23 Y HN 0.901 nan 8.280 nan 0.000 0.526 24 N N 4.390 122.649 118.700 -0.735 0.000 2.497 24 N HA 0.283 5.022 4.740 -0.001 0.000 0.268 24 N C 0.577 175.816 175.510 -0.451 0.000 1.171 24 N CA 0.452 53.216 53.050 -0.477 0.000 0.948 24 N CB 1.032 39.247 38.487 -0.454 0.000 1.069 24 N HN 0.853 nan 8.380 nan 0.000 0.460 25 A N 4.313 127.096 122.820 -0.061 0.000 1.823 25 A HA -0.146 4.174 4.320 -0.001 0.000 0.214 25 A C 0.725 178.296 177.584 -0.022 0.000 1.227 25 A CA 1.283 53.350 52.037 0.050 0.000 0.616 25 A CB -0.600 18.459 19.000 0.099 0.000 0.874 25 A HN 0.845 nan 8.150 nan 0.000 0.455 26 K N 0.230 120.623 120.400 -0.012 0.000 3.256 26 K HA 0.486 4.805 4.320 -0.001 0.000 0.285 26 K C -0.275 176.288 176.600 -0.062 0.000 1.086 26 K CA 0.554 56.830 56.287 -0.019 0.000 1.125 26 K CB -0.870 31.629 32.500 -0.001 0.000 1.292 26 K HN 0.601 nan 8.250 nan 0.000 0.312 27 A N 0.136 122.881 122.820 -0.125 0.000 2.590 27 A HA 0.537 4.856 4.320 -0.001 0.000 0.296 27 A C -0.578 176.854 177.584 -0.252 0.000 1.050 27 A CA -0.705 51.234 52.037 -0.163 0.000 0.697 27 A CB 1.135 20.025 19.000 -0.183 0.000 1.277 27 A HN 0.313 nan 8.150 nan 0.000 0.411 28 G N 1.255 109.963 108.800 -0.153 0.000 3.444 28 G HA2 0.663 4.623 3.960 -0.001 0.000 0.315 28 G HA3 0.663 4.623 3.960 -0.001 0.000 0.315 28 G C -0.128 174.708 174.900 -0.107 0.000 1.079 28 G CA 0.465 45.507 45.100 -0.096 0.000 1.500 28 G HN 1.879 nan 8.290 nan 0.000 0.518 29 L N -2.016 119.063 121.223 -0.240 0.000 2.977 29 L HA 0.644 4.984 4.340 -0.001 0.000 0.310 29 L C -1.607 175.120 176.870 -0.238 0.000 0.832 29 L CA -1.247 53.505 54.840 -0.146 0.000 1.090 29 L CB 0.766 42.749 42.059 -0.127 0.000 1.684 29 L HN 0.046 nan 8.230 nan 0.000 0.348 30 c N 0.710 119.216 118.600 -0.157 0.000 2.446 30 c HA 0.683 5.253 4.570 -0.001 0.000 0.329 30 c C -0.303 173.634 174.090 -0.255 0.000 1.166 30 c CA -0.274 55.954 56.329 -0.168 0.000 1.341 30 c CB 1.285 43.840 42.510 0.075 0.000 1.970 30 c HN 0.698 nan 8.230 nan 0.000 0.452 31 Q N 0.779 120.302 119.800 -0.461 0.000 2.240 31 Q HA 0.707 5.047 4.340 -0.001 0.000 0.260 31 Q C 0.144 176.097 176.000 -0.079 0.000 1.018 31 Q CA -0.504 55.103 55.803 -0.327 0.000 0.898 31 Q CB 1.636 30.199 28.738 -0.291 0.000 1.301 31 Q HN 0.807 nan 8.270 nan 0.000 0.469 32 T N -1.518 113.081 114.554 0.074 0.000 2.944 32 T HA 0.766 5.116 4.350 -0.001 0.000 0.284 32 T C -0.549 174.500 174.700 0.580 0.000 1.010 32 T CA -0.602 61.667 62.100 0.280 0.000 1.025 32 T CB 0.649 69.502 68.868 -0.026 0.000 1.079 32 T HN 0.539 nan 8.240 nan 0.000 0.516 33 F N -1.464 118.638 119.950 0.254 0.000 2.831 33 F HA 0.733 5.260 4.527 -0.001 0.000 0.318 33 F C -2.054 173.816 175.800 0.117 0.000 1.174 33 F CA -1.770 56.306 58.000 0.127 0.000 0.918 33 F CB 0.546 39.532 39.000 -0.022 0.000 1.364 33 F HN 0.470 nan 8.300 nan 0.000 0.475 34 V N 2.260 122.167 119.914 -0.012 0.000 2.394 34 V HA 0.295 4.415 4.120 -0.001 0.000 0.282 34 V C -1.186 174.868 176.094 -0.067 0.000 1.031 34 V CA -0.604 61.622 62.300 -0.124 0.000 0.881 34 V CB 1.004 32.820 31.823 -0.012 0.000 0.982 34 V HN 0.746 nan 8.190 nan 0.000 0.451 35 Y N 3.402 123.510 120.300 -0.319 0.000 2.320 35 Y HA 0.555 5.105 4.550 -0.000 0.000 0.334 35 Y C 1.271 177.113 175.900 -0.095 0.000 1.055 35 Y CA -0.956 57.052 58.100 -0.153 0.000 1.143 35 Y CB 1.734 40.083 38.460 -0.186 0.000 1.193 35 Y HN 0.666 nan 8.280 nan 0.000 0.477 36 G N 2.710 111.256 108.800 -0.424 0.000 2.586 36 G HA2 0.154 4.114 3.960 -0.001 0.000 0.215 36 G HA3 0.154 4.114 3.960 -0.001 0.000 0.215 36 G C 1.199 175.657 174.900 -0.738 0.000 1.128 36 G CA 0.600 45.404 45.100 -0.494 0.000 0.774 36 G HN 1.683 nan 8.290 nan 0.000 0.543 37 G N -1.815 106.053 108.800 -1.553 0.000 2.241 37 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.244 37 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.244 37 G C 0.506 175.027 174.900 -0.632 0.000 0.998 37 G CA 0.662 45.178 45.100 -0.974 0.000 0.621 37 G HN 1.746 nan 8.290 nan 0.000 0.519 38 c N -2.031 116.238 118.600 -0.553 0.000 2.985 38 c HA 0.865 5.435 4.570 -0.001 0.000 0.314 38 c C 0.606 174.791 174.090 0.158 0.000 1.215 38 c CA 0.214 56.519 56.329 -0.040 0.000 1.414 38 c CB 1.617 44.097 42.510 -0.050 0.000 1.842 38 c HN 1.445 nan 8.230 nan 0.000 0.477 39 R N 0.986 121.643 120.500 0.261 0.000 3.305 39 R HA -0.084 4.256 4.340 -0.001 0.000 0.268 39 R C 0.346 176.875 176.300 0.381 0.000 1.087 39 R CA 0.715 56.974 56.100 0.264 0.000 0.725 39 R CB -1.433 29.006 30.300 0.232 0.000 1.233 39 R HN 1.725 nan 8.270 nan 0.000 0.416 40 A N 1.067 124.075 122.820 0.314 0.000 2.346 40 A HA 0.414 4.734 4.320 -0.001 0.000 0.255 40 A C 0.108 177.687 177.584 -0.009 0.000 1.113 40 A CA 0.296 52.369 52.037 0.060 0.000 0.798 40 A CB 0.396 19.118 19.000 -0.464 0.000 1.073 40 A HN 0.376 nan 8.150 nan 0.000 0.502 41 K N -0.161 120.178 120.400 -0.102 0.000 2.316 41 K HA 0.322 4.642 4.320 -0.001 0.000 0.251 41 K C 0.609 176.989 176.600 -0.367 0.000 0.934 41 K CA -1.094 55.073 56.287 -0.200 0.000 0.802 41 K CB 1.586 33.972 32.500 -0.189 0.000 1.171 41 K HN 0.583 nan 8.250 nan 0.000 0.426 42 R N 1.067 121.269 120.500 -0.498 0.000 2.246 42 R HA -0.239 4.101 4.340 -0.001 0.000 0.266 42 R C 0.516 176.113 176.300 -1.171 0.000 1.163 42 R CA 1.623 57.173 56.100 -0.917 0.000 0.992 42 R CB -0.512 28.981 30.300 -1.345 0.000 0.895 42 R HN 0.593 nan 8.270 nan 0.000 0.465 43 N N 1.685 119.897 118.700 -0.814 0.000 2.807 43 N HA -0.011 4.729 4.740 -0.001 0.000 0.259 43 N C -1.373 173.852 175.510 -0.476 0.000 1.149 43 N CA -0.022 52.761 53.050 -0.445 0.000 1.042 43 N CB -0.035 38.523 38.487 0.118 0.000 1.367 43 N HN 0.059 nan 8.380 nan 0.000 0.516 44 N N 3.483 121.610 118.700 -0.954 0.000 2.905 44 N HA 0.147 4.886 4.740 -0.001 0.000 0.255 44 N C -1.874 173.194 175.510 -0.736 0.000 1.199 44 N CA -0.244 52.528 53.050 -0.464 0.000 0.911 44 N CB 0.151 38.447 38.487 -0.319 0.000 1.550 44 N HN 0.115 nan 8.380 nan 0.000 0.599 45 F N 1.355 121.411 119.950 0.176 0.000 2.575 45 F HA 0.438 4.964 4.527 -0.000 0.000 0.330 45 F C 1.635 177.390 175.800 -0.075 0.000 1.056 45 F CA -0.922 57.105 58.000 0.044 0.000 0.964 45 F CB 1.404 40.446 39.000 0.071 0.000 1.258 45 F HN 0.305 nan 8.300 nan 0.000 0.484 46 K N 0.578 121.024 120.400 0.076 0.000 2.365 46 K HA 0.129 4.449 4.320 -0.001 0.000 0.197 46 K C -0.236 176.177 176.600 -0.312 0.000 1.042 46 K CA 0.731 56.962 56.287 -0.094 0.000 0.987 46 K CB 0.078 32.551 32.500 -0.044 0.000 0.779 46 K HN 0.692 nan 8.250 nan 0.000 0.484 47 S N -2.917 112.583 115.700 -0.334 0.000 2.643 47 S HA 0.634 5.104 4.470 -0.001 0.000 0.270 47 S C 0.655 175.079 174.600 -0.293 0.000 1.166 47 S CA -0.537 57.323 58.200 -0.567 0.000 0.815 47 S CB 0.846 63.905 63.200 -0.234 0.000 1.139 47 S HN -0.043 nan 8.310 nan 0.000 0.472 48 A N 0.555 123.371 122.820 -0.006 0.000 1.930 48 A HA -0.009 4.311 4.320 -0.001 0.000 0.217 48 A C 1.943 179.558 177.584 0.052 0.000 1.175 48 A CA 2.125 54.327 52.037 0.275 0.000 0.627 48 A CB -1.320 17.865 19.000 0.308 0.000 0.815 48 A HN 1.024 nan 8.150 nan 0.000 0.443 49 E N 0.859 121.055 120.200 -0.006 0.000 2.002 49 E HA -0.253 4.097 4.350 -0.001 0.000 0.205 49 E C 1.490 178.021 176.600 -0.115 0.000 1.020 49 E CA 1.906 58.281 56.400 -0.043 0.000 0.856 49 E CB -0.506 29.173 29.700 -0.035 0.000 0.788 49 E HN 0.497 nan 8.360 nan 0.000 0.477 50 D N 0.094 120.416 120.400 -0.131 0.000 2.154 50 D HA -0.290 4.350 4.640 -0.001 0.000 0.190 50 D C 2.148 178.078 176.300 -0.617 0.000 1.003 50 D CA 1.707 55.578 54.000 -0.213 0.000 0.849 50 D CB -0.901 39.873 40.800 -0.044 0.000 0.942 50 D HN 0.398 nan 8.370 nan 0.000 0.446 51 c N 0.820 118.951 118.600 -0.781 0.000 2.391 51 c HA -0.208 4.361 4.570 -0.001 0.000 0.276 51 c C 2.700 176.443 174.090 -0.579 0.000 1.217 51 c CA 0.802 56.390 56.329 -1.236 0.000 1.766 51 c CB -0.862 41.530 42.510 -0.196 0.000 2.046 51 c HN 0.266 nan 8.230 nan 0.000 0.475 52 M N 0.023 119.469 119.600 -0.257 0.000 2.115 52 M HA 0.013 4.492 4.480 -0.001 0.000 0.261 52 M C 2.235 178.431 176.300 -0.172 0.000 1.079 52 M CA 1.474 56.698 55.300 -0.126 0.000 1.143 52 M CB -1.793 30.782 32.600 -0.043 0.000 1.332 52 M HN 0.288 nan 8.290 nan 0.000 0.421 53 R N 0.409 120.813 120.500 -0.161 0.000 2.228 53 R HA -0.153 4.187 4.340 -0.001 0.000 0.259 53 R C 1.622 177.848 176.300 -0.124 0.000 1.183 53 R CA 2.396 58.424 56.100 -0.120 0.000 1.002 53 R CB -0.738 29.503 30.300 -0.099 0.000 0.879 53 R HN 0.466 nan 8.270 nan 0.000 0.467 54 T N -1.905 112.534 114.554 -0.191 0.000 3.044 54 T HA 0.222 4.571 4.350 -0.001 0.000 0.237 54 T C 0.442 175.045 174.700 -0.160 0.000 1.001 54 T CA 0.684 62.720 62.100 -0.107 0.000 1.160 54 T CB 0.200 69.079 68.868 0.018 0.000 0.889 54 T HN 0.128 nan 8.240 nan 0.000 0.442 55 c N 2.106 120.550 118.600 -0.261 0.000 2.341 55 c HA 0.819 5.389 4.570 -0.001 0.000 0.338 55 c C 1.186 174.903 174.090 -0.621 0.000 1.257 55 c CA -0.413 55.622 56.329 -0.491 0.000 1.883 55 c CB -0.080 42.098 42.510 -0.554 0.000 2.334 55 c HN 0.963 nan 8.230 nan 0.000 0.524 56 G N 0.000 108.411 108.800 -0.649 0.000 0.000 56 G HA2 0.000 3.960 3.960 -0.001 0.000 0.000 56 G HA3 0.000 3.960 3.960 -0.001 0.000 0.000 56 G CA 0.000 44.910 45.100 -0.317 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000