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 1sqv_1_I DATA FIRST_RESID 1 DATA SEQUENCE MLSVAARSGP FAPVLSATSR GVAGALRPLV QAAVPATSES PVLDLKRSVL DATA SEQUENCE CRESLRG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 L N 0.206 121.428 121.223 -0.002 0.000 2.928 2 L HA 0.504 4.844 4.340 -0.000 0.000 0.162 2 L C 1.417 178.286 176.870 -0.001 0.000 1.540 2 L CA 0.178 55.017 54.840 -0.002 0.000 1.836 2 L CB -0.248 41.810 42.059 -0.001 0.000 2.626 2 L HN 0.760 nan 8.230 nan 0.000 0.549 3 S N -1.167 114.533 115.700 0.000 0.000 3.628 3 S HA -0.150 4.320 4.470 -0.000 0.000 0.373 3 S C 0.887 175.486 174.600 -0.001 0.000 0.968 3 S CA 0.264 58.465 58.200 0.002 0.000 1.215 3 S CB -1.467 61.736 63.200 0.004 0.000 0.912 3 S HN 0.551 nan 8.310 nan 0.000 0.495 4 V N 0.977 120.888 119.914 -0.004 0.000 2.479 4 V HA -0.481 3.639 4.120 -0.000 0.000 0.219 4 V C 3.003 179.091 176.094 -0.010 0.000 1.028 4 V CA 3.614 65.909 62.300 -0.008 0.000 1.079 4 V CB -2.574 29.247 31.823 -0.004 0.000 0.999 4 V HN 2.075 nan 8.190 nan 0.000 0.480 5 A N 0.475 123.297 122.820 0.003 0.000 2.261 5 A HA -0.309 4.011 4.320 -0.000 0.000 0.271 5 A C 1.729 179.315 177.584 0.003 0.000 2.785 5 A CA 3.949 55.993 52.037 0.012 0.000 1.014 5 A CB -1.425 17.586 19.000 0.019 0.000 0.645 5 A HN 2.071 nan 8.150 nan 0.000 0.482 6 A N -1.594 121.228 122.820 0.002 0.000 3.181 6 A HA 0.521 4.841 4.320 -0.000 0.000 0.293 6 A C 1.202 178.780 177.584 -0.010 0.000 1.346 6 A CA 0.378 52.413 52.037 -0.003 0.000 1.018 6 A CB -0.394 18.608 19.000 0.003 0.000 1.093 6 A HN 0.521 nan 8.150 nan 0.000 0.629 7 R N 0.007 120.498 120.500 -0.017 0.000 2.313 7 R HA 0.113 4.453 4.340 -0.000 0.000 0.199 7 R C 0.204 176.483 176.300 -0.035 0.000 0.958 7 R CA 0.637 56.723 56.100 -0.023 0.000 1.047 7 R CB -0.114 30.172 30.300 -0.024 0.000 0.955 7 R HN 0.434 nan 8.270 nan 0.000 0.481 8 S N -1.422 114.253 115.700 -0.041 0.000 3.727 8 S HA -0.147 4.323 4.470 -0.000 0.000 0.444 8 S C 0.110 174.654 174.600 -0.093 0.000 0.867 8 S CA 0.474 58.641 58.200 -0.057 0.000 1.324 8 S CB -1.185 61.993 63.200 -0.037 0.000 0.890 8 S HN 0.800 nan 8.310 nan 0.000 0.599 9 G N 1.392 110.111 108.800 -0.135 0.000 3.121 9 G HA2 0.394 4.354 3.960 -0.000 0.000 0.133 9 G HA3 0.394 4.354 3.960 -0.000 0.000 0.133 9 G C -2.891 171.829 174.900 -0.301 0.000 1.398 9 G CA 0.214 45.204 45.100 -0.184 0.000 1.037 9 G HN 0.503 nan 8.290 nan 0.000 0.644 10 P HA 0.392 nan 4.420 nan 0.000 0.273 10 P C -1.124 176.048 177.300 -0.214 0.000 1.250 10 P CA -0.237 62.746 63.100 -0.194 0.000 0.793 10 P CB 0.841 32.499 31.700 -0.069 0.000 1.011 11 F N -0.136 119.814 119.950 -0.000 0.000 2.396 11 F HA 0.465 4.992 4.527 -0.000 0.000 0.343 11 F C 0.795 176.595 175.800 -0.000 0.000 1.104 11 F CA -0.470 57.530 58.000 -0.000 0.000 1.161 11 F CB 0.635 39.635 39.000 -0.000 0.000 1.146 11 F HN 0.269 nan 8.300 nan 0.000 0.522 12 A N 6.193 129.210 122.820 0.329 0.000 2.285 12 A HA 0.642 4.962 4.320 -0.000 0.000 0.310 12 A C -2.690 174.951 177.584 0.095 0.000 1.266 12 A CA -1.553 50.578 52.037 0.157 0.000 0.832 12 A CB 0.298 19.365 19.000 0.111 0.000 1.163 12 A HN 0.391 nan 8.150 nan 0.000 0.499 13 P HA 0.373 nan 4.420 nan 0.000 0.279 13 P C -0.644 176.659 177.300 0.005 0.000 1.239 13 P CA -0.124 62.973 63.100 -0.005 0.000 0.789 13 P CB 1.657 33.346 31.700 -0.019 0.000 0.933 14 V N 4.448 124.360 119.914 -0.004 0.000 2.448 14 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 14 V C 0.349 176.438 176.094 -0.009 0.000 1.025 14 V CA -0.736 61.563 62.300 -0.001 0.000 0.859 14 V CB 1.936 33.761 31.823 0.003 0.000 0.988 14 V HN 0.464 nan 8.190 nan 0.000 0.431 15 L N 2.868 124.087 121.223 -0.006 0.000 2.334 15 L HA 0.737 5.077 4.340 -0.000 0.000 0.270 15 L C 0.086 176.953 176.870 -0.004 0.000 1.018 15 L CA 0.133 54.969 54.840 -0.008 0.000 0.811 15 L CB 2.043 44.097 42.059 -0.007 0.000 1.271 15 L HN 0.744 nan 8.230 nan 0.000 0.443 16 S N -0.514 115.183 115.700 -0.005 0.000 2.537 16 S HA 0.593 5.063 4.470 -0.000 0.000 0.270 16 S C 0.608 175.205 174.600 -0.004 0.000 1.142 16 S CA 0.147 58.345 58.200 -0.003 0.000 0.870 16 S CB 1.828 65.027 63.200 -0.003 0.000 1.112 16 S HN 0.747 nan 8.310 nan 0.000 0.466 17 A N 2.211 125.029 122.820 -0.003 0.000 1.849 17 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 17 A C 1.987 179.569 177.584 -0.003 0.000 1.202 17 A CA 2.930 54.966 52.037 -0.002 0.000 0.629 17 A CB -1.712 17.287 19.000 -0.002 0.000 0.834 17 A HN 1.045 nan 8.150 nan 0.000 0.447 18 T N -3.050 111.502 114.554 -0.002 0.000 2.978 18 T HA 0.212 4.562 4.350 -0.000 0.000 0.262 18 T C 0.846 175.544 174.700 -0.003 0.000 1.063 18 T CA 0.884 62.983 62.100 -0.002 0.000 1.140 18 T CB -0.061 68.806 68.868 -0.001 0.000 0.886 18 T HN 0.217 nan 8.240 nan 0.000 0.470 19 S N 1.003 116.701 115.700 -0.003 0.000 2.526 19 S HA 0.491 4.961 4.470 -0.000 0.000 0.293 19 S C -0.295 174.301 174.600 -0.006 0.000 1.092 19 S CA -1.066 57.132 58.200 -0.004 0.000 0.980 19 S CB 1.608 64.807 63.200 -0.002 0.000 1.048 19 S HN 0.339 nan 8.310 nan 0.000 0.483 20 R N 1.165 121.661 120.500 -0.007 0.000 2.623 20 R HA 0.253 4.593 4.340 -0.000 0.000 0.271 20 R C 0.823 177.115 176.300 -0.013 0.000 1.043 20 R CA -0.336 55.758 56.100 -0.010 0.000 1.083 20 R CB -0.205 30.089 30.300 -0.011 0.000 0.974 20 R HN 0.679 nan 8.270 nan 0.000 0.436 21 G N 1.808 110.597 108.800 -0.018 0.000 2.272 21 G HA2 0.245 4.205 3.960 -0.000 0.000 0.247 21 G HA3 0.245 4.205 3.960 -0.000 0.000 0.247 21 G C 0.067 174.948 174.900 -0.031 0.000 1.272 21 G CA -0.526 44.559 45.100 -0.024 0.000 0.921 21 G HN 0.338 nan 8.290 nan 0.000 0.495 22 V N 1.550 121.447 119.914 -0.029 0.000 2.713 22 V HA 0.817 4.937 4.120 -0.000 0.000 0.307 22 V C 0.580 176.635 176.094 -0.065 0.000 1.052 22 V CA -0.647 61.633 62.300 -0.033 0.000 0.967 22 V CB 1.430 33.249 31.823 -0.007 0.000 1.019 22 V HN 1.107 nan 8.190 nan 0.000 0.459 23 A N 1.570 124.330 122.820 -0.101 0.000 2.401 23 A HA 0.893 5.213 4.320 -0.000 0.000 0.310 23 A C 0.491 178.043 177.584 -0.053 0.000 1.075 23 A CA 0.105 52.012 52.037 -0.216 0.000 0.746 23 A CB 1.708 20.430 19.000 -0.463 0.000 1.277 23 A HN 1.005 nan 8.150 nan 0.000 0.425 24 G N 0.269 109.181 108.800 0.187 0.000 2.593 24 G HA2 0.532 4.492 3.960 -0.000 0.000 0.212 24 G HA3 0.532 4.492 3.960 -0.000 0.000 0.212 24 G C 0.729 175.902 174.900 0.456 0.000 1.934 24 G CA 0.848 46.172 45.100 0.374 0.000 0.861 24 G HN 1.341 nan 8.290 nan 0.000 0.629 25 A N -1.213 121.804 122.820 0.328 0.000 3.687 25 A HA 0.813 5.133 4.320 -0.000 0.000 0.164 25 A C -0.765 176.627 177.584 -0.320 0.000 1.564 25 A CA -0.291 51.729 52.037 -0.028 0.000 0.896 25 A CB 0.192 19.152 19.000 -0.066 0.000 1.731 25 A HN 0.357 nan 8.150 nan 0.000 0.607 26 L N -1.341 119.700 121.223 -0.304 0.000 2.286 26 L HA 0.855 5.195 4.340 -0.000 0.000 0.265 26 L C -0.818 175.937 176.870 -0.192 0.000 1.012 26 L CA -0.147 54.583 54.840 -0.185 0.000 0.818 26 L CB 1.719 43.727 42.059 -0.085 0.000 1.337 26 L HN 1.014 nan 8.230 nan 0.000 0.438 27 R N -0.692 119.747 120.500 -0.101 0.000 6.062 27 R HA 0.100 4.441 4.340 -0.000 0.000 0.235 27 R C -3.045 173.245 176.300 -0.017 0.000 0.906 27 R CA -0.933 55.129 56.100 -0.063 0.000 1.411 27 R CB -1.927 28.333 30.300 -0.066 0.000 1.282 27 R HN 0.219 nan 8.270 nan 0.000 0.737 28 P HA 0.089 nan 4.420 nan 0.000 0.260 28 P C -0.085 177.234 177.300 0.032 0.000 1.207 28 P CA -0.159 62.948 63.100 0.012 0.000 0.780 28 P CB 0.431 32.137 31.700 0.009 0.000 0.789 29 L N 5.046 126.292 121.223 0.038 0.000 2.693 29 L HA 0.043 4.383 4.340 -0.000 0.000 0.235 29 L C 1.163 178.050 176.870 0.027 0.000 1.127 29 L CA 0.610 55.475 54.840 0.041 0.000 0.914 29 L CB 0.394 42.486 42.059 0.055 0.000 1.193 29 L HN 0.229 nan 8.230 nan 0.000 0.502 30 V N -3.912 116.014 119.914 0.020 0.000 3.097 30 V HA 0.155 4.275 4.120 -0.000 0.000 0.223 30 V C 1.294 177.394 176.094 0.011 0.000 1.199 30 V CA 0.030 62.340 62.300 0.016 0.000 1.260 30 V CB -0.728 31.104 31.823 0.016 0.000 1.155 30 V HN 0.219 nan 8.190 nan 0.000 0.509 31 Q N 1.319 121.124 119.800 0.008 0.000 2.319 31 Q HA 0.528 4.868 4.340 -0.000 0.000 0.217 31 Q C 1.014 177.017 176.000 0.007 0.000 0.924 31 Q CA 0.750 56.557 55.803 0.006 0.000 0.964 31 Q CB 0.111 28.851 28.738 0.003 0.000 1.025 31 Q HN 0.825 nan 8.270 nan 0.000 0.465 32 A N -0.937 121.888 122.820 0.009 0.000 2.480 32 A HA 0.432 4.752 4.320 -0.000 0.000 0.191 32 A C 1.439 179.029 177.584 0.010 0.000 1.503 32 A CA 0.315 52.358 52.037 0.010 0.000 1.110 32 A CB 0.274 19.282 19.000 0.012 0.000 1.401 32 A HN 0.299 nan 8.150 nan 0.000 0.533 33 A N -0.060 122.766 122.820 0.010 0.000 2.275 33 A HA 0.473 4.793 4.320 -0.000 0.000 0.212 33 A C 1.554 179.142 177.584 0.007 0.000 1.201 33 A CA 1.060 53.102 52.037 0.009 0.000 0.843 33 A CB -0.313 18.693 19.000 0.009 0.000 0.873 33 A HN 0.298 nan 8.150 nan 0.000 0.492 34 V N 0.752 120.670 119.914 0.006 0.000 2.300 34 V HA 0.023 4.143 4.120 -0.000 0.000 0.241 34 V C -1.340 174.756 176.094 0.004 0.000 1.034 34 V CA 0.973 63.276 62.300 0.005 0.000 1.021 34 V CB -1.180 30.646 31.823 0.005 0.000 0.662 34 V HN 0.500 nan 8.190 nan 0.000 0.458 35 P HA 0.582 nan 4.420 nan 0.000 0.292 35 P C -0.689 176.613 177.300 0.005 0.000 1.287 35 P CA 0.077 63.180 63.100 0.004 0.000 0.800 35 P CB 1.794 33.496 31.700 0.004 0.000 0.945 36 A N 1.537 124.359 122.820 0.004 0.000 2.616 36 A HA 0.758 5.078 4.320 -0.000 0.000 0.253 36 A C 0.031 177.618 177.584 0.004 0.000 1.239 36 A CA -0.404 51.635 52.037 0.004 0.000 0.914 36 A CB -0.432 18.570 19.000 0.004 0.000 1.454 36 A HN 0.522 nan 8.150 nan 0.000 0.460 37 T N 0.243 114.799 114.554 0.004 0.000 3.720 37 T HA -0.139 4.211 4.350 -0.000 0.000 0.381 37 T C 0.280 174.983 174.700 0.005 0.000 0.763 37 T CA 1.164 63.266 62.100 0.004 0.000 1.957 37 T CB -1.900 66.970 68.868 0.003 0.000 1.767 37 T HN 1.039 nan 8.240 nan 0.000 0.743 38 S N 0.138 115.842 115.700 0.006 0.000 2.498 38 S HA 0.160 4.630 4.470 -0.000 0.000 0.314 38 S C 1.371 175.974 174.600 0.006 0.000 1.141 38 S CA -0.453 57.751 58.200 0.007 0.000 1.087 38 S CB 0.433 63.638 63.200 0.009 0.000 1.178 38 S HN 0.556 nan 8.310 nan 0.000 0.533 39 E N 2.626 122.829 120.200 0.005 0.000 2.285 39 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 39 E C 0.316 176.918 176.600 0.003 0.000 0.997 39 E CA 0.627 57.029 56.400 0.003 0.000 0.845 39 E CB 0.128 29.830 29.700 0.003 0.000 0.782 39 E HN 0.959 nan 8.360 nan 0.000 0.491 40 S N -0.170 115.532 115.700 0.003 0.000 3.099 40 S HA -0.068 4.402 4.470 -0.000 0.000 0.855 40 S C -2.494 172.105 174.600 -0.000 0.000 1.015 40 S CA -0.095 58.107 58.200 0.002 0.000 1.280 40 S CB -0.960 62.241 63.200 0.003 0.000 0.907 40 S HN 0.081 nan 8.310 nan 0.000 0.246 41 P HA 0.335 nan 4.420 nan 0.000 0.244 41 P C 0.040 177.336 177.300 -0.005 0.000 1.632 41 P CA -0.220 62.877 63.100 -0.005 0.000 0.944 41 P CB -0.255 31.440 31.700 -0.008 0.000 1.569 42 V N 2.501 122.413 119.914 -0.004 0.000 2.242 42 V HA 0.034 4.154 4.120 -0.000 0.000 0.242 42 V C 0.986 177.078 176.094 -0.004 0.000 1.240 42 V CA -0.060 62.237 62.300 -0.004 0.000 1.211 42 V CB -1.506 30.316 31.823 -0.002 0.000 1.338 42 V HN 0.254 nan 8.190 nan 0.000 0.499 43 L N 2.532 123.751 121.223 -0.006 0.000 3.223 43 L HA -0.097 4.243 4.340 -0.000 0.000 0.573 43 L C -0.602 176.265 176.870 -0.006 0.000 1.328 43 L CA 0.176 55.012 54.840 -0.006 0.000 0.992 43 L CB -1.686 40.370 42.059 -0.006 0.000 1.794 43 L HN 0.651 nan 8.230 nan 0.000 0.823 44 D N 1.646 122.042 120.400 -0.007 0.000 2.498 44 D HA 0.549 5.189 4.640 -0.000 0.000 0.247 44 D C 0.709 177.004 176.300 -0.009 0.000 1.070 44 D CA -0.858 53.138 54.000 -0.007 0.000 0.842 44 D CB 2.172 42.969 40.800 -0.006 0.000 1.361 44 D HN 0.220 nan 8.370 nan 0.000 0.484 45 L N 0.674 121.892 121.223 -0.008 0.000 4.812 45 L HA -0.256 4.084 4.340 -0.000 0.000 0.466 45 L C 0.398 177.261 176.870 -0.012 0.000 1.205 45 L CA 0.988 55.822 54.840 -0.009 0.000 0.681 45 L CB -1.517 40.537 42.059 -0.009 0.000 1.179 45 L HN 0.313 nan 8.230 nan 0.000 0.647 46 K N 2.515 122.908 120.400 -0.012 0.000 2.525 46 K HA 0.369 4.689 4.320 -0.000 0.000 0.254 46 K C 0.199 176.791 176.600 -0.013 0.000 0.934 46 K CA -1.012 55.266 56.287 -0.014 0.000 0.802 46 K CB 1.835 34.327 32.500 -0.013 0.000 1.295 46 K HN 0.331 nan 8.250 nan 0.000 0.433 47 R N 0.642 121.133 120.500 -0.016 0.000 2.480 47 R HA -0.143 4.197 4.340 -0.000 0.000 0.309 47 R C -0.816 175.476 176.300 -0.013 0.000 0.967 47 R CA 1.667 57.758 56.100 -0.016 0.000 1.082 47 R CB -0.069 30.219 30.300 -0.021 0.000 0.905 47 R HN 0.819 nan 8.270 nan 0.000 0.435 48 S N -0.550 115.143 115.700 -0.012 0.000 2.571 48 S HA 0.411 4.881 4.470 -0.000 0.000 0.284 48 S C -0.057 174.538 174.600 -0.009 0.000 1.128 48 S CA -1.145 57.049 58.200 -0.009 0.000 0.970 48 S CB 1.891 65.087 63.200 -0.007 0.000 1.039 48 S HN 0.396 nan 8.310 nan 0.000 0.485 49 V N 3.037 122.946 119.914 -0.008 0.000 3.816 49 V HA 0.362 4.482 4.120 -0.000 0.000 0.281 49 V C 1.729 177.821 176.094 -0.003 0.000 1.027 49 V CA -0.103 62.194 62.300 -0.006 0.000 1.032 49 V CB -0.399 31.422 31.823 -0.004 0.000 1.226 49 V HN 1.065 nan 8.190 nan 0.000 0.448 50 L N -1.206 120.017 121.223 -0.000 0.000 3.449 50 L HA -0.340 4.000 4.340 -0.000 0.000 0.077 50 L C 1.109 177.979 176.870 0.001 0.000 4.433 50 L CA 2.158 56.999 54.840 0.002 0.000 0.491 50 L CB -1.217 40.843 42.059 0.001 0.000 3.547 50 L HN 1.411 nan 8.230 nan 0.000 0.760 51 C N -0.860 118.439 119.300 -0.001 0.000 0.168 51 C HA -0.109 4.351 4.460 -0.000 0.000 0.017 51 C C 0.692 175.681 174.990 -0.000 0.000 0.171 51 C CA 0.461 59.478 59.018 -0.001 0.000 0.499 51 C CB -0.786 26.953 27.740 -0.002 0.000 3.212 51 C HN 0.656 nan 8.230 nan 0.000 1.118 52 R N 1.537 122.036 120.500 -0.001 0.000 3.151 52 R HA 0.676 5.016 4.340 -0.000 0.000 0.231 52 R C 0.306 176.606 176.300 -0.000 0.000 1.511 52 R CA -0.179 55.921 56.100 -0.000 0.000 1.047 52 R CB 0.179 30.478 30.300 -0.001 0.000 1.565 52 R HN 0.815 nan 8.270 nan 0.000 0.513 53 E N 0.245 120.445 120.200 -0.000 0.000 2.271 53 E HA -0.146 4.204 4.350 -0.000 0.000 0.223 53 E C -1.011 175.590 176.600 0.001 0.000 1.223 53 E CA 0.859 57.259 56.400 0.000 0.000 0.704 53 E CB -1.169 28.531 29.700 0.000 0.000 1.194 53 E HN 0.617 nan 8.360 nan 0.000 0.375 54 S N -1.316 114.385 115.700 0.001 0.000 2.828 54 S HA 0.412 4.882 4.470 -0.000 0.000 0.240 54 S C 0.111 174.712 174.600 0.001 0.000 0.912 54 S CA -0.695 57.506 58.200 0.001 0.000 1.100 54 S CB 0.343 63.544 63.200 0.002 0.000 1.271 54 S HN 0.158 nan 8.310 nan 0.000 0.476 55 L N 1.041 122.265 121.223 0.001 0.000 2.970 55 L HA 0.677 5.017 4.340 -0.000 0.000 0.214 55 L C 1.191 178.062 176.870 0.001 0.000 1.317 55 L CA -0.851 53.990 54.840 0.001 0.000 1.187 55 L CB 0.542 42.602 42.059 0.001 0.000 2.155 55 L HN 0.231 nan 8.230 nan 0.000 0.554 56 R N -1.764 118.737 120.500 0.001 0.000 3.515 56 R HA 0.408 4.748 4.340 -0.000 0.000 0.239 56 R C -0.554 175.746 176.300 0.001 0.000 1.336 56 R CA -0.473 55.628 56.100 0.001 0.000 0.959 56 R CB 0.215 30.515 30.300 0.001 0.000 1.524 56 R HN 0.662 nan 8.270 nan 0.000 0.466 57 G N 0.000 108.800 108.800 0.001 0.000 5.446 57 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 57 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 57 G CA 0.000 45.100 45.100 0.001 0.000 0.502 57 G HN 0.000 nan 8.290 nan 0.000 0.925