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 1aap_1_B DATA FIRST_RESID 1 DATA SEQUENCE VREVcSEQAE TGPcRAMISR WYFDVTEGKc APFFYGGcGG NRNNFDTEEY DATA SEQUENCE cMAVcG 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.082 176.094 -0.019 0.000 1.182 1 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 1 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 2 R N 0.727 121.193 120.500 -0.057 0.000 2.622 2 R HA -0.363 3.978 4.340 0.001 0.000 0.121 2 R C 1.740 178.020 176.300 -0.034 0.000 0.563 2 R CA 2.985 59.041 56.100 -0.073 0.000 0.204 2 R CB -1.151 29.112 30.300 -0.061 0.000 0.587 2 R HN 1.089 nan 8.270 nan 0.000 0.230 3 E N -0.488 119.706 120.200 -0.010 0.000 2.065 3 E HA -0.211 4.140 4.350 0.001 0.000 0.201 3 E C 1.867 178.481 176.600 0.023 0.000 1.016 3 E CA 2.558 58.963 56.400 0.007 0.000 0.818 3 E CB -0.151 29.552 29.700 0.006 0.000 0.749 3 E HN 0.492 nan 8.360 nan 0.000 0.453 4 V N -1.133 118.798 119.914 0.028 0.000 2.720 4 V HA -0.203 3.918 4.120 0.001 0.000 0.256 4 V C 2.181 178.330 176.094 0.091 0.000 1.082 4 V CA 1.463 63.790 62.300 0.046 0.000 1.101 4 V CB -0.970 30.877 31.823 0.039 0.000 0.693 4 V HN 0.333 nan 8.190 nan 0.000 0.479 5 c N 1.782 120.438 118.600 0.093 0.000 2.449 5 c HA 0.030 4.600 4.570 0.001 0.000 0.283 5 c C 2.796 177.029 174.090 0.239 0.000 1.453 5 c CA 1.168 57.590 56.329 0.155 0.000 1.779 5 c CB -1.710 40.764 42.510 -0.061 0.000 1.779 5 c HN 0.850 nan 8.230 nan 0.000 0.546 6 S N -0.058 115.734 115.700 0.152 0.000 2.557 6 S HA 0.119 4.590 4.470 0.001 0.000 0.223 6 S C 0.049 174.705 174.600 0.094 0.000 0.969 6 S CA -0.336 57.949 58.200 0.141 0.000 0.927 6 S CB -0.317 62.941 63.200 0.097 0.000 0.806 6 S HN 0.736 nan 8.310 nan 0.000 0.489 7 E N 1.693 121.939 120.200 0.076 0.000 2.343 7 E HA 0.254 4.605 4.350 0.001 0.000 0.269 7 E C -0.517 176.079 176.600 -0.007 0.000 1.047 7 E CA -0.601 55.810 56.400 0.019 0.000 0.874 7 E CB 0.545 30.241 29.700 -0.007 0.000 1.033 7 E HN 0.409 nan 8.360 nan 0.000 0.409 8 Q N 0.494 120.254 119.800 -0.066 0.000 2.392 8 Q HA 0.231 4.572 4.340 0.001 0.000 0.262 8 Q C -0.287 175.509 176.000 -0.339 0.000 1.003 8 Q CA -0.448 55.255 55.803 -0.166 0.000 0.888 8 Q CB 0.824 29.475 28.738 -0.145 0.000 1.260 8 Q HN 0.625 nan 8.270 nan 0.000 0.435 9 A N 2.310 124.708 122.820 -0.702 0.000 2.548 9 A HA 0.029 4.350 4.320 0.001 0.000 0.247 9 A C -0.128 177.122 177.584 -0.556 0.000 1.067 9 A CA 0.245 51.614 52.037 -1.114 0.000 0.757 9 A CB 0.019 17.831 19.000 -1.980 0.000 0.996 9 A HN 0.717 nan 8.150 nan 0.000 0.504 10 E N 2.243 122.253 120.200 -0.316 0.000 2.186 10 E HA 0.357 4.707 4.350 0.001 0.000 0.255 10 E C 0.586 177.372 176.600 0.309 0.000 0.881 10 E CA -0.388 56.014 56.400 0.004 0.000 0.752 10 E CB 0.875 30.576 29.700 0.001 0.000 1.176 10 E HN 0.585 nan 8.360 nan 0.000 0.421 11 T N 2.748 117.483 114.554 0.303 0.000 2.788 11 T HA 0.125 4.476 4.350 0.001 0.000 0.268 11 T C 0.873 175.734 174.700 0.269 0.000 1.044 11 T CA 0.994 63.311 62.100 0.362 0.000 1.139 11 T CB -0.403 68.592 68.868 0.212 0.000 0.867 11 T HN 0.862 nan 8.240 nan 0.000 0.454 12 G N 1.455 110.364 108.800 0.182 0.000 2.795 12 G HA2 -0.121 3.840 3.960 0.001 0.000 0.664 12 G HA3 -0.121 3.840 3.960 0.001 0.000 0.664 12 G C -2.107 172.815 174.900 0.037 0.000 1.381 12 G CA -0.315 44.858 45.100 0.122 0.000 0.853 12 G HN 0.189 nan 8.290 nan 0.000 0.545 13 P HA 0.224 nan 4.420 nan 0.000 0.245 13 P C 0.890 178.166 177.300 -0.040 0.000 1.206 13 P CA 0.497 63.591 63.100 -0.010 0.000 0.781 13 P CB 0.068 31.767 31.700 -0.001 0.000 0.994 14 c N 0.556 119.109 118.600 -0.077 0.000 2.480 14 c HA 0.317 4.888 4.570 0.001 0.000 0.358 14 c C 2.004 176.029 174.090 -0.109 0.000 1.309 14 c CA -0.592 55.676 56.329 -0.101 0.000 2.465 14 c CB 0.465 42.899 42.510 -0.128 0.000 2.379 14 c HN 0.215 nan 8.230 nan 0.000 0.642 15 R N 0.416 120.856 120.500 -0.100 0.000 2.427 15 R HA 0.241 4.582 4.340 0.001 0.000 0.262 15 R C 0.473 176.708 176.300 -0.109 0.000 0.943 15 R CA -0.055 55.989 56.100 -0.093 0.000 1.081 15 R CB -0.113 30.145 30.300 -0.071 0.000 1.166 15 R HN 0.765 nan 8.270 nan 0.000 0.534 16 A N 0.999 123.740 122.820 -0.132 0.000 2.296 16 A HA 0.445 4.766 4.320 0.001 0.000 0.264 16 A C 0.348 177.855 177.584 -0.127 0.000 1.097 16 A CA -0.062 51.903 52.037 -0.121 0.000 0.811 16 A CB 0.419 19.350 19.000 -0.115 0.000 1.072 16 A HN 0.093 nan 8.150 nan 0.000 0.495 17 M N 1.890 121.427 119.600 -0.106 0.000 2.488 17 M HA 0.315 4.796 4.480 0.001 0.000 0.204 17 M C -1.011 175.369 176.300 0.133 0.000 0.969 17 M CA 0.266 55.496 55.300 -0.117 0.000 0.720 17 M CB -0.251 32.093 32.600 -0.427 0.000 1.427 17 M HN 0.484 nan 8.290 nan 0.000 0.427 18 I N 0.488 121.148 120.570 0.149 0.000 2.352 18 I HA 0.162 4.333 4.170 0.001 0.000 0.290 18 I C 0.904 177.081 176.117 0.100 0.000 1.036 18 I CA -0.282 61.098 61.300 0.134 0.000 1.336 18 I CB 1.180 39.230 38.000 0.082 0.000 1.407 18 I HN 0.345 nan 8.210 nan 0.000 0.497 19 S N 6.924 122.652 115.700 0.047 0.000 2.455 19 S HA 0.351 4.821 4.470 0.001 0.000 0.278 19 S C -0.076 174.415 174.600 -0.182 0.000 1.216 19 S CA -0.511 57.539 58.200 -0.251 0.000 1.055 19 S CB -0.180 62.900 63.200 -0.200 0.000 0.939 19 S HN 0.421 nan 8.310 nan 0.000 0.494 20 R N 2.840 123.097 120.500 -0.405 0.000 2.930 20 R HA 0.489 4.830 4.340 0.001 0.000 0.257 20 R C -1.508 174.720 176.300 -0.120 0.000 1.107 20 R CA -0.630 55.364 56.100 -0.176 0.000 0.999 20 R CB 0.941 31.016 30.300 -0.375 0.000 1.209 20 R HN 0.589 nan 8.270 nan 0.000 0.486 21 W N 0.857 122.360 121.300 0.339 0.000 2.736 21 W HA 0.448 5.109 4.660 0.002 0.000 0.335 21 W C -0.485 176.404 176.519 0.616 0.000 1.059 21 W CA -0.478 57.122 57.345 0.425 0.000 1.226 21 W CB 1.129 30.731 29.460 0.235 0.000 1.416 21 W HN 0.465 nan 8.180 nan 0.000 0.505 22 Y N 0.837 121.433 120.300 0.493 0.000 2.545 22 Y HA 0.698 5.248 4.550 0.001 0.000 0.348 22 Y C -1.486 174.566 175.900 0.254 0.000 1.002 22 Y CA -2.498 55.779 58.100 0.294 0.000 1.039 22 Y CB 1.076 39.423 38.460 -0.187 0.000 1.271 22 Y HN 0.365 nan 8.280 nan 0.000 0.467 23 F N 4.007 123.955 119.950 -0.003 0.000 2.438 23 F HA 0.270 4.798 4.527 0.001 0.000 0.356 23 F C -0.087 175.584 175.800 -0.216 0.000 1.099 23 F CA -0.128 57.777 58.000 -0.159 0.000 1.185 23 F CB 0.560 39.524 39.000 -0.060 0.000 1.115 23 F HN 0.696 nan 8.300 nan 0.000 0.526 24 D N 6.170 125.919 120.400 -1.085 0.000 2.373 24 D HA 0.107 4.748 4.640 0.001 0.000 0.227 24 D C 1.150 177.000 176.300 -0.751 0.000 1.091 24 D CA -0.093 53.506 54.000 -0.669 0.000 0.840 24 D CB 1.651 42.127 40.800 -0.540 0.000 1.060 24 D HN 0.560 nan 8.370 nan 0.000 0.502 25 V N 2.146 121.887 119.914 -0.289 0.000 2.626 25 V HA -0.130 3.991 4.120 0.001 0.000 0.252 25 V C 1.816 177.864 176.094 -0.077 0.000 1.067 25 V CA 1.437 63.696 62.300 -0.068 0.000 1.081 25 V CB -0.767 31.123 31.823 0.111 0.000 0.686 25 V HN 0.434 nan 8.190 nan 0.000 0.468 26 T N 0.252 114.751 114.554 -0.091 0.000 2.812 26 T HA -0.062 4.289 4.350 0.001 0.000 0.264 26 T C 1.841 176.491 174.700 -0.083 0.000 1.042 26 T CA 1.894 63.959 62.100 -0.058 0.000 1.140 26 T CB -0.201 68.646 68.868 -0.035 0.000 0.870 26 T HN 0.652 nan 8.240 nan 0.000 0.445 27 E N 0.003 120.117 120.200 -0.144 0.000 2.216 27 E HA 0.140 4.491 4.350 0.001 0.000 0.192 27 E C 1.430 177.932 176.600 -0.164 0.000 0.988 27 E CA 0.358 56.670 56.400 -0.147 0.000 0.834 27 E CB 0.021 29.616 29.700 -0.175 0.000 0.772 27 E HN 0.514 nan 8.360 nan 0.000 0.479 28 G N 2.055 110.704 108.800 -0.253 0.000 2.160 28 G HA2 -0.315 3.646 3.960 0.001 0.000 0.244 28 G HA3 -0.315 3.646 3.960 0.001 0.000 0.244 28 G C 0.019 174.825 174.900 -0.156 0.000 1.022 28 G CA 1.056 46.070 45.100 -0.145 0.000 0.741 28 G HN 0.353 nan 8.290 nan 0.000 0.508 29 K N -2.285 117.807 120.400 -0.513 0.000 2.556 29 K HA 0.682 5.003 4.320 0.001 0.000 0.289 29 K C -0.372 175.963 176.600 -0.442 0.000 1.040 29 K CA -0.814 55.329 56.287 -0.239 0.000 0.894 29 K CB 0.486 32.936 32.500 -0.084 0.000 1.547 29 K HN 0.200 nan 8.250 nan 0.000 0.417 30 c N 0.894 119.442 118.600 -0.086 0.000 2.539 30 c HA 0.802 5.373 4.570 0.001 0.000 0.392 30 c C 0.229 174.398 174.090 0.131 0.000 1.269 30 c CA 0.094 56.416 56.329 -0.013 0.000 2.250 30 c CB 0.212 42.805 42.510 0.139 0.000 2.584 30 c HN 0.739 nan 8.230 nan 0.000 0.589 31 A N 4.304 127.101 122.820 -0.038 0.000 2.515 31 A HA 0.955 5.276 4.320 0.001 0.000 0.296 31 A C -2.849 174.541 177.584 -0.324 0.000 1.094 31 A CA -1.277 50.690 52.037 -0.118 0.000 0.718 31 A CB 1.388 20.213 19.000 -0.291 0.000 1.307 31 A HN 0.636 nan 8.150 nan 0.000 0.408 32 P HA 0.669 nan 4.420 nan 0.000 0.278 32 P C -1.032 176.177 177.300 -0.151 0.000 1.258 32 P CA -0.101 62.449 63.100 -0.917 0.000 0.811 32 P CB 0.784 31.756 31.700 -1.212 0.000 1.063 33 F N -1.683 118.005 119.950 -0.436 0.000 2.741 33 F HA 0.621 5.149 4.527 0.002 0.000 0.311 33 F C -2.049 173.548 175.800 -0.339 0.000 1.149 33 F CA -1.376 56.464 58.000 -0.267 0.000 0.930 33 F CB 0.759 39.685 39.000 -0.123 0.000 1.312 33 F HN -0.037 nan 8.300 nan 0.000 0.450 34 F N 3.143 122.993 119.950 -0.166 0.000 2.391 34 F HA 0.374 4.901 4.527 0.001 0.000 0.359 34 F C -0.564 175.079 175.800 -0.261 0.000 1.122 34 F CA -0.780 57.075 58.000 -0.241 0.000 1.120 34 F CB 0.885 39.829 39.000 -0.092 0.000 1.142 34 F HN 0.523 nan 8.300 nan 0.000 0.483 35 Y N 2.296 122.381 120.300 -0.358 0.000 2.320 35 Y HA 0.468 5.019 4.550 0.001 0.000 0.334 35 Y C 1.124 176.997 175.900 -0.044 0.000 1.055 35 Y CA -1.269 56.693 58.100 -0.230 0.000 1.143 35 Y CB 1.797 40.031 38.460 -0.377 0.000 1.193 35 Y HN 0.667 nan 8.280 nan 0.000 0.477 36 G N 2.367 110.887 108.800 -0.467 0.000 2.471 36 G HA2 0.203 4.164 3.960 0.001 0.000 0.219 36 G HA3 0.203 4.164 3.960 0.001 0.000 0.219 36 G C 1.075 175.631 174.900 -0.573 0.000 1.125 36 G CA 0.602 45.453 45.100 -0.416 0.000 0.775 36 G HN 1.628 nan 8.290 nan 0.000 0.548 37 G N -1.983 106.111 108.800 -1.177 0.000 2.253 37 G HA2 -0.155 3.806 3.960 0.001 0.000 0.209 37 G HA3 -0.155 3.806 3.960 0.001 0.000 0.209 37 G C 0.382 175.040 174.900 -0.404 0.000 0.997 37 G CA 0.387 45.089 45.100 -0.663 0.000 0.640 37 G HN 1.552 nan 8.290 nan 0.000 0.496 38 c N -1.398 116.995 118.600 -0.344 0.000 3.090 38 c HA 1.013 5.584 4.570 0.001 0.000 0.305 38 c C 1.503 175.687 174.090 0.156 0.000 1.292 38 c CA 0.424 56.760 56.329 0.011 0.000 1.482 38 c CB 1.447 43.948 42.510 -0.015 0.000 1.897 38 c HN 2.529 nan 8.230 nan 0.000 0.469 39 G N 1.103 110.016 108.800 0.188 0.000 2.528 39 G HA2 0.440 4.401 3.960 0.001 0.000 0.262 39 G HA3 0.440 4.401 3.960 0.001 0.000 0.262 39 G C 0.985 176.031 174.900 0.244 0.000 1.200 39 G CA 1.239 46.440 45.100 0.168 0.000 0.951 39 G HN 3.418 nan 8.290 nan 0.000 0.566 40 G N -0.901 108.017 108.800 0.196 0.000 2.693 40 G HA2 0.343 4.304 3.960 0.001 0.000 0.226 40 G HA3 0.343 4.304 3.960 0.001 0.000 0.226 40 G C -0.110 174.803 174.900 0.022 0.000 1.354 40 G CA 1.016 46.205 45.100 0.149 0.000 0.873 40 G HN 2.841 nan 8.290 nan 0.000 0.562 41 N N -2.307 116.360 118.700 -0.056 0.000 3.343 41 N HA 0.582 5.323 4.740 0.001 0.000 0.330 41 N C 0.985 176.413 175.510 -0.137 0.000 1.560 41 N CA -0.408 52.597 53.050 -0.074 0.000 0.752 41 N CB 0.408 38.860 38.487 -0.059 0.000 1.863 41 N HN 0.578 nan 8.380 nan 0.000 0.636 42 R N -1.410 119.016 120.500 -0.123 0.000 2.236 42 R HA 0.105 4.446 4.340 0.001 0.000 0.208 42 R C -0.072 176.050 176.300 -0.297 0.000 1.036 42 R CA 0.408 56.396 56.100 -0.187 0.000 1.001 42 R CB -0.494 29.745 30.300 -0.101 0.000 0.896 42 R HN 0.468 nan 8.270 nan 0.000 0.464 43 N N 2.004 120.607 118.700 -0.162 0.000 3.245 43 N HA -0.028 4.713 4.740 0.001 0.000 0.296 43 N C -1.368 174.091 175.510 -0.085 0.000 1.254 43 N CA 0.091 53.124 53.050 -0.029 0.000 1.190 43 N CB -0.224 38.328 38.487 0.109 0.000 1.460 43 N HN 0.041 nan 8.380 nan 0.000 0.538 44 N N 2.298 120.715 118.700 -0.471 0.000 2.699 44 N HA 0.169 4.910 4.740 0.001 0.000 0.271 44 N C -1.946 173.244 175.510 -0.534 0.000 1.216 44 N CA -0.268 52.669 53.050 -0.189 0.000 0.844 44 N CB -0.016 38.353 38.487 -0.197 0.000 1.462 44 N HN -0.024 nan 8.380 nan 0.000 0.555 45 F N 0.975 121.024 119.950 0.165 0.000 2.508 45 F HA 0.362 4.890 4.527 0.001 0.000 0.325 45 F C 1.405 177.381 175.800 0.293 0.000 1.090 45 F CA -0.775 57.289 58.000 0.107 0.000 0.945 45 F CB 1.769 40.728 39.000 -0.067 0.000 1.156 45 F HN 0.292 nan 8.300 nan 0.000 0.463 46 D N -0.175 120.545 120.400 0.532 0.000 2.144 46 D HA -0.070 4.571 4.640 0.001 0.000 0.199 46 D C 0.841 177.388 176.300 0.411 0.000 0.984 46 D CA 1.750 55.987 54.000 0.395 0.000 0.834 46 D CB 0.108 41.094 40.800 0.311 0.000 0.955 46 D HN 0.576 nan 8.370 nan 0.000 0.465 47 T N -3.549 111.228 114.554 0.373 0.000 2.883 47 T HA 0.318 4.669 4.350 0.001 0.000 0.296 47 T C 0.651 175.172 174.700 -0.298 0.000 1.117 47 T CA -0.935 61.214 62.100 0.081 0.000 1.006 47 T CB 2.192 71.078 68.868 0.030 0.000 1.191 47 T HN -0.067 nan 8.240 nan 0.000 0.508 48 E N 0.426 119.976 120.200 -1.083 0.000 2.077 48 E HA -0.217 4.134 4.350 0.001 0.000 0.193 48 E C 1.805 178.092 176.600 -0.522 0.000 0.989 48 E CA 1.798 57.424 56.400 -1.290 0.000 0.800 48 E CB -0.065 28.581 29.700 -1.758 0.000 0.746 48 E HN 0.868 nan 8.360 nan 0.000 0.452 49 E N -0.456 119.545 120.200 -0.331 0.000 2.153 49 E HA -0.260 4.091 4.350 0.001 0.000 0.194 49 E C 2.060 178.622 176.600 -0.064 0.000 0.988 49 E CA 1.122 57.422 56.400 -0.168 0.000 0.811 49 E CB -0.560 29.073 29.700 -0.112 0.000 0.746 49 E HN 0.354 nan 8.360 nan 0.000 0.466 50 Y N 1.521 121.721 120.300 -0.166 0.000 2.163 50 Y HA -0.182 4.369 4.550 0.002 0.000 0.288 50 Y C 2.461 178.166 175.900 -0.324 0.000 1.136 50 Y CA 0.676 58.708 58.100 -0.113 0.000 1.147 50 Y CB -0.987 37.499 38.460 0.045 0.000 0.987 50 Y HN 0.348 nan 8.280 nan 0.000 0.509 51 c N 0.700 119.031 118.600 -0.448 0.000 2.398 51 c HA -0.237 4.334 4.570 0.001 0.000 0.276 51 c C 2.689 176.423 174.090 -0.593 0.000 1.222 51 c CA 1.815 57.597 56.329 -0.913 0.000 1.746 51 c CB -1.312 41.039 42.510 -0.265 0.000 2.039 51 c HN 0.622 nan 8.230 nan 0.000 0.470 52 M N 0.995 120.412 119.600 -0.306 0.000 2.175 52 M HA -0.034 4.447 4.480 0.001 0.000 0.264 52 M C 2.508 178.688 176.300 -0.199 0.000 1.063 52 M CA 1.858 57.041 55.300 -0.195 0.000 1.119 52 M CB -1.744 30.776 32.600 -0.133 0.000 1.377 52 M HN 0.578 nan 8.290 nan 0.000 0.415 53 A N -0.158 122.560 122.820 -0.170 0.000 1.933 53 A HA -0.061 4.260 4.320 0.001 0.000 0.218 53 A C 2.392 179.892 177.584 -0.140 0.000 1.175 53 A CA 1.809 53.787 52.037 -0.098 0.000 0.628 53 A CB -0.642 18.367 19.000 0.016 0.000 0.814 53 A HN 0.329 nan 8.150 nan 0.000 0.444 54 V N -2.508 117.245 119.914 -0.270 0.000 2.672 54 V HA -0.105 4.016 4.120 0.001 0.000 0.242 54 V C 2.213 178.119 176.094 -0.314 0.000 1.059 54 V CA 1.561 63.699 62.300 -0.270 0.000 1.081 54 V CB -0.151 31.474 31.823 -0.331 0.000 0.752 54 V HN 0.650 nan 8.190 nan 0.000 0.472 55 c N -0.249 118.077 118.600 -0.456 0.000 2.535 55 c HA 0.488 5.059 4.570 0.001 0.000 0.310 55 c C 1.770 175.452 174.090 -0.681 0.000 1.344 55 c CA -0.130 55.852 56.329 -0.579 0.000 1.831 55 c CB -0.654 41.505 42.510 -0.585 0.000 2.284 55 c HN 0.565 nan 8.230 nan 0.000 0.523 56 G N 0.000 108.565 108.800 -0.392 0.000 0.000 56 G HA2 0.000 3.961 3.960 0.001 0.000 0.000 56 G HA3 0.000 3.961 3.960 0.001 0.000 0.000 56 G CA 0.000 44.978 45.100 -0.203 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000