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 1brc_1_I 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 0.000 176.058 176.094 -0.060 0.000 1.182 1 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 1 V CB 0.000 31.797 31.823 -0.043 0.000 1.184 2 R N 1.340 121.784 120.500 -0.094 0.000 1.284 2 R HA -0.368 3.972 4.340 0.000 0.000 0.042 2 R C 1.508 177.804 176.300 -0.007 0.000 0.958 2 R CA 3.306 59.369 56.100 -0.061 0.000 0.809 2 R CB -1.603 28.668 30.300 -0.050 0.000 0.536 2 R HN 0.726 nan 8.270 nan 0.000 0.357 3 E N -0.631 119.572 120.200 0.005 0.000 2.097 3 E HA -0.210 4.140 4.350 0.000 0.000 0.196 3 E C 1.850 178.472 176.600 0.037 0.000 1.000 3 E CA 2.602 59.014 56.400 0.021 0.000 0.804 3 E CB -0.156 29.553 29.700 0.015 0.000 0.740 3 E HN 0.484 nan 8.360 nan 0.000 0.454 4 V N -0.488 119.450 119.914 0.040 0.000 2.287 4 V HA -0.306 3.814 4.120 0.000 0.000 0.248 4 V C 2.354 178.515 176.094 0.112 0.000 1.053 4 V CA 1.960 64.297 62.300 0.061 0.000 1.027 4 V CB -1.322 30.550 31.823 0.082 0.000 0.646 4 V HN 0.397 nan 8.190 nan 0.000 0.447 5 c N 1.818 120.491 118.600 0.122 0.000 2.449 5 c HA 0.039 4.609 4.570 0.000 0.000 0.283 5 c C 2.991 177.246 174.090 0.276 0.000 1.453 5 c CA 1.005 57.453 56.329 0.199 0.000 1.779 5 c CB -1.919 40.560 42.510 -0.052 0.000 1.779 5 c HN 0.843 nan 8.230 nan 0.000 0.546 6 S N -0.160 115.639 115.700 0.165 0.000 2.517 6 S HA 0.061 4.531 4.470 0.000 0.000 0.214 6 S C 0.232 174.896 174.600 0.106 0.000 0.991 6 S CA -0.027 58.259 58.200 0.143 0.000 0.906 6 S CB -0.320 62.935 63.200 0.092 0.000 0.789 6 S HN 0.701 nan 8.310 nan 0.000 0.513 7 E N 2.135 122.389 120.200 0.090 0.000 2.384 7 E HA 0.367 4.717 4.350 0.000 0.000 0.266 7 E C 0.436 177.061 176.600 0.041 0.000 1.012 7 E CA -0.002 56.425 56.400 0.046 0.000 0.901 7 E CB 0.314 30.026 29.700 0.020 0.000 0.967 7 E HN 0.570 nan 8.360 nan 0.000 0.435 8 Q N 1.657 121.454 119.800 -0.004 0.000 2.361 8 Q HA 0.360 4.700 4.340 0.000 0.000 0.276 8 Q C 0.116 176.007 176.000 -0.182 0.000 1.022 8 Q CA 0.227 55.995 55.803 -0.058 0.000 0.898 8 Q CB 0.435 29.136 28.738 -0.063 0.000 1.246 8 Q HN 0.700 nan 8.270 nan 0.000 0.410 9 A N 1.190 123.759 122.820 -0.417 0.000 2.540 9 A HA 0.554 4.874 4.320 0.000 0.000 0.239 9 A C 0.510 177.807 177.584 -0.478 0.000 1.061 9 A CA 0.698 52.239 52.037 -0.828 0.000 0.758 9 A CB -0.377 17.634 19.000 -1.647 0.000 0.991 9 A HN 1.709 nan 8.150 nan 0.000 0.502 10 E N 1.155 121.173 120.200 -0.304 0.000 2.275 10 E HA 0.508 4.858 4.350 0.000 0.000 0.270 10 E C 0.317 177.073 176.600 0.261 0.000 0.882 10 E CA -0.031 56.360 56.400 -0.016 0.000 0.758 10 E CB 0.900 30.613 29.700 0.020 0.000 1.195 10 E HN 0.657 nan 8.360 nan 0.000 0.419 11 T N 0.758 115.456 114.554 0.241 0.000 2.904 11 T HA 0.406 4.756 4.350 0.000 0.000 0.267 11 T C 1.313 176.116 174.700 0.172 0.000 1.059 11 T CA 1.400 63.669 62.100 0.283 0.000 1.137 11 T CB -0.392 68.564 68.868 0.146 0.000 0.879 11 T HN 2.018 nan 8.240 nan 0.000 0.467 12 G N 1.678 110.555 108.800 0.128 0.000 2.757 12 G HA2 -0.124 3.836 3.960 0.000 0.000 0.638 12 G HA3 -0.124 3.836 3.960 0.000 0.000 0.638 12 G C -2.095 172.803 174.900 -0.003 0.000 1.344 12 G CA -0.275 44.864 45.100 0.067 0.000 0.855 12 G HN 0.181 nan 8.290 nan 0.000 0.537 13 P HA 0.233 nan 4.420 nan 0.000 0.251 13 P C 0.847 178.114 177.300 -0.055 0.000 1.223 13 P CA 0.379 63.461 63.100 -0.030 0.000 0.796 13 P CB 0.188 31.878 31.700 -0.016 0.000 1.068 14 c N 0.935 119.480 118.600 -0.092 0.000 2.595 14 c HA 0.277 4.847 4.570 0.000 0.000 0.384 14 c C 1.669 175.689 174.090 -0.116 0.000 1.289 14 c CA -0.347 55.918 56.329 -0.107 0.000 2.372 14 c CB -0.102 42.325 42.510 -0.140 0.000 2.593 14 c HN 0.218 nan 8.230 nan 0.000 0.639 15 R N 0.985 121.428 120.500 -0.096 0.000 2.791 15 R HA 0.352 4.692 4.340 0.000 0.000 0.357 15 R C 0.239 176.482 176.300 -0.096 0.000 1.173 15 R CA -0.164 55.881 56.100 -0.091 0.000 1.060 15 R CB 0.158 30.417 30.300 -0.069 0.000 1.406 15 R HN 0.784 nan 8.270 nan 0.000 0.580 16 A N 0.659 123.412 122.820 -0.112 0.000 2.259 16 A HA 0.433 4.753 4.320 0.000 0.000 0.278 16 A C -0.105 177.421 177.584 -0.097 0.000 1.107 16 A CA -0.325 51.655 52.037 -0.095 0.000 0.828 16 A CB 0.549 19.497 19.000 -0.087 0.000 1.111 16 A HN 0.326 nan 8.150 nan 0.000 0.498 17 M N 1.765 121.323 119.600 -0.070 0.000 2.182 17 M HA 0.391 4.871 4.480 0.000 0.000 0.285 17 M C -1.750 174.629 176.300 0.132 0.000 0.956 17 M CA -0.059 55.202 55.300 -0.065 0.000 0.878 17 M CB -0.162 32.302 32.600 -0.226 0.000 1.373 17 M HN 0.564 nan 8.290 nan 0.000 0.393 18 I N 2.443 123.134 120.570 0.201 0.000 2.339 18 I HA 0.261 4.431 4.170 0.000 0.000 0.290 18 I C 0.402 176.578 176.117 0.098 0.000 0.994 18 I CA -0.505 60.898 61.300 0.172 0.000 1.191 18 I CB 1.907 39.982 38.000 0.125 0.000 1.343 18 I HN 0.518 nan 8.210 nan 0.000 0.458 19 S N 7.113 122.784 115.700 -0.049 0.000 2.531 19 S HA 0.536 5.006 4.470 0.000 0.000 0.279 19 S C -0.020 174.349 174.600 -0.386 0.000 1.305 19 S CA -0.824 57.060 58.200 -0.526 0.000 1.058 19 S CB 0.972 63.883 63.200 -0.482 0.000 0.899 19 S HN 0.471 nan 8.310 nan 0.000 0.493 20 R N 1.004 121.111 120.500 -0.654 0.000 2.869 20 R HA 0.509 4.849 4.340 0.000 0.000 0.263 20 R C -1.562 174.479 176.300 -0.432 0.000 1.066 20 R CA -0.673 55.165 56.100 -0.437 0.000 0.960 20 R CB 1.025 30.963 30.300 -0.603 0.000 1.221 20 R HN 0.770 nan 8.270 nan 0.000 0.474 21 W N 0.911 122.348 121.300 0.229 0.000 2.736 21 W HA 0.441 5.101 4.660 0.000 0.000 0.335 21 W C -0.393 176.561 176.519 0.725 0.000 1.059 21 W CA -0.447 57.171 57.345 0.456 0.000 1.226 21 W CB 1.027 30.665 29.460 0.296 0.000 1.416 21 W HN 0.424 nan 8.180 nan 0.000 0.505 22 Y N 0.762 121.440 120.300 0.629 0.000 2.576 22 Y HA 0.728 5.278 4.550 -0.000 0.000 0.346 22 Y C -1.443 174.709 175.900 0.419 0.000 1.018 22 Y CA -3.173 55.169 58.100 0.404 0.000 1.050 22 Y CB 0.660 39.033 38.460 -0.145 0.000 1.280 22 Y HN 0.350 nan 8.280 nan 0.000 0.474 23 F N 3.409 123.410 119.950 0.085 0.000 2.410 23 F HA 0.317 4.844 4.527 0.000 0.000 0.348 23 F C -0.084 175.538 175.800 -0.297 0.000 1.106 23 F CA -0.437 57.483 58.000 -0.132 0.000 1.163 23 F CB 0.616 39.616 39.000 -0.000 0.000 1.129 23 F HN 0.715 nan 8.300 nan 0.000 0.516 24 D N 5.752 125.566 120.400 -0.978 0.000 2.317 24 D HA 0.147 4.787 4.640 0.000 0.000 0.234 24 D C 1.106 176.876 176.300 -0.882 0.000 1.112 24 D CA -0.163 53.410 54.000 -0.711 0.000 0.840 24 D CB 1.669 42.148 40.800 -0.533 0.000 1.078 24 D HN 0.525 nan 8.370 nan 0.000 0.486 25 V N 2.114 121.780 119.914 -0.412 0.000 2.626 25 V HA -0.154 3.966 4.120 0.000 0.000 0.252 25 V C 2.119 178.125 176.094 -0.147 0.000 1.067 25 V CA 2.003 64.183 62.300 -0.200 0.000 1.081 25 V CB -1.355 30.499 31.823 0.053 0.000 0.686 25 V HN 0.655 nan 8.190 nan 0.000 0.468 26 T N -0.778 113.695 114.554 -0.135 0.000 2.809 26 T HA 0.030 4.380 4.350 0.000 0.000 0.260 26 T C 1.900 176.537 174.700 -0.105 0.000 1.039 26 T CA 1.595 63.646 62.100 -0.082 0.000 1.141 26 T CB -0.670 68.166 68.868 -0.053 0.000 0.869 26 T HN 0.718 nan 8.240 nan 0.000 0.437 27 E N 1.261 121.364 120.200 -0.162 0.000 2.502 27 E HA 0.416 4.766 4.350 0.000 0.000 0.194 27 E C 1.674 178.162 176.600 -0.188 0.000 1.062 27 E CA 0.561 56.872 56.400 -0.150 0.000 0.867 27 E CB -1.478 28.135 29.700 -0.144 0.000 0.888 27 E HN 1.132 nan 8.360 nan 0.000 0.510 28 G N 0.802 109.432 108.800 -0.284 0.000 2.283 28 G HA2 -0.285 3.675 3.960 0.000 0.000 0.280 28 G HA3 -0.285 3.675 3.960 0.000 0.000 0.280 28 G C 0.247 175.041 174.900 -0.177 0.000 1.029 28 G CA 1.119 46.105 45.100 -0.190 0.000 0.840 28 G HN 1.139 nan 8.290 nan 0.000 0.505 29 K N -2.033 118.083 120.400 -0.473 0.000 2.542 29 K HA 0.637 4.957 4.320 0.000 0.000 0.259 29 K C -0.157 176.296 176.600 -0.244 0.000 0.932 29 K CA -0.899 55.280 56.287 -0.180 0.000 0.820 29 K CB 0.528 32.975 32.500 -0.089 0.000 1.345 29 K HN 0.150 nan 8.250 nan 0.000 0.432 30 c N 2.158 120.773 118.600 0.025 0.000 2.648 30 c HA 0.621 5.191 4.570 0.000 0.000 0.415 30 c C 0.551 174.747 174.090 0.177 0.000 1.366 30 c CA 0.097 56.483 56.329 0.096 0.000 1.756 30 c CB -1.060 41.555 42.510 0.174 0.000 2.549 30 c HN 0.777 nan 8.230 nan 0.000 0.597 31 A N 6.551 129.397 122.820 0.042 0.000 2.384 31 A HA 0.951 5.271 4.320 0.000 0.000 0.312 31 A C -2.618 175.072 177.584 0.178 0.000 1.113 31 A CA -1.434 50.688 52.037 0.141 0.000 0.779 31 A CB 1.227 20.202 19.000 -0.041 0.000 1.307 31 A HN 0.656 nan 8.150 nan 0.000 0.436 32 P HA 0.608 nan 4.420 nan 0.000 0.281 32 P C -1.201 176.030 177.300 -0.115 0.000 1.249 32 P CA 0.057 62.735 63.100 -0.703 0.000 0.810 32 P CB 0.966 31.935 31.700 -1.219 0.000 1.008 33 F N -0.353 119.337 119.950 -0.433 0.000 2.745 33 F HA 0.674 5.201 4.527 0.000 0.000 0.316 33 F C -2.150 173.388 175.800 -0.437 0.000 1.155 33 F CA -1.664 56.149 58.000 -0.311 0.000 0.937 33 F CB 0.684 39.552 39.000 -0.220 0.000 1.361 33 F HN -0.006 nan 8.300 nan 0.000 0.472 34 F N 2.347 122.191 119.950 -0.176 0.000 2.426 34 F HA 0.453 4.980 4.527 0.000 0.000 0.348 34 F C -0.857 174.854 175.800 -0.148 0.000 1.124 34 F CA -0.834 57.028 58.000 -0.231 0.000 1.008 34 F CB 1.302 40.247 39.000 -0.093 0.000 1.139 34 F HN 0.543 nan 8.300 nan 0.000 0.452 35 Y N 1.882 122.057 120.300 -0.209 0.000 2.342 35 Y HA 0.508 5.058 4.550 0.000 0.000 0.334 35 Y C 0.960 176.869 175.900 0.014 0.000 1.067 35 Y CA -1.184 56.860 58.100 -0.092 0.000 1.128 35 Y CB 1.970 40.291 38.460 -0.232 0.000 1.200 35 Y HN 0.663 nan 8.280 nan 0.000 0.464 36 G N 1.924 110.426 108.800 -0.497 0.000 2.813 36 G HA2 0.300 4.260 3.960 0.000 0.000 0.209 36 G HA3 0.300 4.260 3.960 0.000 0.000 0.209 36 G C 1.014 175.581 174.900 -0.555 0.000 1.150 36 G CA 0.358 45.212 45.100 -0.409 0.000 0.785 36 G HN 1.594 nan 8.290 nan 0.000 0.535 37 G N -1.700 106.450 108.800 -1.084 0.000 2.201 37 G HA2 -0.173 3.787 3.960 0.000 0.000 0.212 37 G HA3 -0.173 3.787 3.960 0.000 0.000 0.212 37 G C 0.380 175.109 174.900 -0.285 0.000 0.994 37 G CA 0.382 45.173 45.100 -0.516 0.000 0.644 37 G HN 1.572 nan 8.290 nan 0.000 0.508 38 c N -1.825 116.596 118.600 -0.299 0.000 3.241 38 c HA 1.006 5.576 4.570 0.000 0.000 0.312 38 c C 1.564 175.707 174.090 0.089 0.000 1.350 38 c CA 0.436 56.763 56.329 -0.005 0.000 1.415 38 c CB 1.500 43.996 42.510 -0.023 0.000 1.770 38 c HN 2.502 nan 8.230 nan 0.000 0.466 39 G N 1.084 109.970 108.800 0.142 0.000 2.566 39 G HA2 0.398 4.358 3.960 0.000 0.000 0.280 39 G HA3 0.398 4.358 3.960 0.000 0.000 0.280 39 G C 1.139 176.192 174.900 0.256 0.000 1.225 39 G CA 1.565 46.752 45.100 0.145 0.000 0.966 39 G HN 3.427 nan 8.290 nan 0.000 0.560 40 G N -0.665 108.261 108.800 0.211 0.000 2.512 40 G HA2 0.325 4.285 3.960 0.000 0.000 0.254 40 G HA3 0.325 4.285 3.960 0.000 0.000 0.254 40 G C -0.006 174.940 174.900 0.077 0.000 1.199 40 G CA 1.411 46.638 45.100 0.212 0.000 0.941 40 G HN 3.080 nan 8.290 nan 0.000 0.569 41 N N -3.189 115.511 118.700 0.000 0.000 3.449 41 N HA 0.714 5.454 4.740 0.000 0.000 0.312 41 N C 1.104 176.551 175.510 -0.105 0.000 1.582 41 N CA 1.138 54.166 53.050 -0.038 0.000 0.850 41 N CB -0.036 38.432 38.487 -0.032 0.000 1.822 41 N HN 1.453 nan 8.380 nan 0.000 0.577 42 R N -0.680 119.759 120.500 -0.101 0.000 2.193 42 R HA 0.147 4.487 4.340 0.000 0.000 0.213 42 R C 0.809 176.920 176.300 -0.314 0.000 1.055 42 R CA 1.267 57.271 56.100 -0.160 0.000 0.995 42 R CB -1.491 28.764 30.300 -0.075 0.000 0.893 42 R HN 0.678 nan 8.270 nan 0.000 0.459 43 N N 2.054 120.620 118.700 -0.223 0.000 3.050 43 N HA 0.014 4.754 4.740 0.000 0.000 0.289 43 N C -1.415 173.904 175.510 -0.319 0.000 1.209 43 N CA -0.223 52.687 53.050 -0.233 0.000 1.154 43 N CB -0.264 38.252 38.487 0.048 0.000 1.444 43 N HN 0.456 nan 8.380 nan 0.000 0.529 44 N N 2.744 120.991 118.700 -0.755 0.000 2.747 44 N HA 0.171 4.911 4.740 0.000 0.000 0.262 44 N C -1.957 173.247 175.510 -0.510 0.000 1.261 44 N CA -0.281 52.575 53.050 -0.324 0.000 0.809 44 N CB -0.100 38.209 38.487 -0.297 0.000 1.450 44 N HN 0.012 nan 8.380 nan 0.000 0.560 45 F N 0.383 120.486 119.950 0.254 0.000 2.522 45 F HA 0.304 4.831 4.527 -0.000 0.000 0.324 45 F C 1.521 177.510 175.800 0.314 0.000 1.077 45 F CA -0.927 57.233 58.000 0.265 0.000 0.944 45 F CB 1.583 40.706 39.000 0.204 0.000 1.175 45 F HN 0.307 nan 8.300 nan 0.000 0.468 46 D N -1.451 119.223 120.400 0.456 0.000 2.269 46 D HA 0.027 4.667 4.640 0.000 0.000 0.208 46 D C 0.302 176.824 176.300 0.370 0.000 0.963 46 D CA 0.907 55.105 54.000 0.330 0.000 0.864 46 D CB -0.131 40.790 40.800 0.201 0.000 0.936 46 D HN 0.507 nan 8.370 nan 0.000 0.505 47 T N -4.297 110.449 114.554 0.320 0.000 2.864 47 T HA 0.301 4.651 4.350 0.000 0.000 0.299 47 T C 0.474 174.978 174.700 -0.327 0.000 1.166 47 T CA -0.957 61.149 62.100 0.011 0.000 1.007 47 T CB 2.140 71.005 68.868 -0.005 0.000 1.219 47 T HN -0.116 nan 8.240 nan 0.000 0.506 48 E N 0.490 120.140 120.200 -0.916 0.000 2.047 48 E HA -0.135 4.215 4.350 0.000 0.000 0.191 48 E C 2.541 178.903 176.600 -0.396 0.000 0.987 48 E CA 1.649 57.499 56.400 -0.916 0.000 0.799 48 E CB -0.339 28.684 29.700 -1.129 0.000 0.752 48 E HN 0.861 nan 8.360 nan 0.000 0.449 49 E N 0.575 120.610 120.200 -0.276 0.000 2.049 49 E HA -0.260 4.090 4.350 0.000 0.000 0.198 49 E C 1.675 178.229 176.600 -0.077 0.000 1.007 49 E CA 1.717 58.029 56.400 -0.146 0.000 0.809 49 E CB -1.171 28.474 29.700 -0.091 0.000 0.749 49 E HN 0.418 nan 8.360 nan 0.000 0.450 50 Y N -0.103 120.091 120.300 -0.176 0.000 2.242 50 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 50 Y C 2.671 178.363 175.900 -0.347 0.000 1.137 50 Y CA 0.817 58.818 58.100 -0.164 0.000 1.181 50 Y CB -0.908 37.526 38.460 -0.043 0.000 0.989 50 Y HN 0.485 nan 8.280 nan 0.000 0.527 51 c N 0.088 118.419 118.600 -0.448 0.000 2.442 51 c HA -0.207 4.363 4.570 0.000 0.000 0.279 51 c C 2.659 176.369 174.090 -0.634 0.000 1.237 51 c CA 1.589 57.400 56.329 -0.863 0.000 1.722 51 c CB -1.275 41.092 42.510 -0.239 0.000 2.056 51 c HN 0.584 nan 8.230 nan 0.000 0.469 52 M N 1.235 120.635 119.600 -0.335 0.000 2.202 52 M HA -0.075 4.405 4.480 0.000 0.000 0.262 52 M C 2.392 178.522 176.300 -0.284 0.000 1.063 52 M CA 1.941 57.094 55.300 -0.245 0.000 1.097 52 M CB -1.766 30.743 32.600 -0.152 0.000 1.382 52 M HN 0.615 nan 8.290 nan 0.000 0.413 53 A N -0.792 121.859 122.820 -0.281 0.000 2.015 53 A HA -0.023 4.297 4.320 0.000 0.000 0.219 53 A C 2.390 179.785 177.584 -0.315 0.000 1.163 53 A CA 1.400 53.301 52.037 -0.226 0.000 0.646 53 A CB -0.542 18.392 19.000 -0.111 0.000 0.806 53 A HN 0.320 nan 8.150 nan 0.000 0.448 54 V N -2.074 117.525 119.914 -0.525 0.000 2.492 54 V HA -0.141 3.979 4.120 0.000 0.000 0.241 54 V C 2.200 178.023 176.094 -0.451 0.000 1.041 54 V CA 1.786 63.785 62.300 -0.501 0.000 1.057 54 V CB -0.317 31.073 31.823 -0.722 0.000 0.711 54 V HN 0.645 nan 8.190 nan 0.000 0.468 55 c N -0.258 117.981 118.600 -0.603 0.000 2.935 55 c HA 0.514 5.084 4.570 0.000 0.000 0.308 55 c C 1.607 175.177 174.090 -0.865 0.000 1.263 55 c CA -0.262 55.599 56.329 -0.781 0.000 1.738 55 c CB -0.696 41.182 42.510 -1.052 0.000 2.237 55 c HN 0.562 nan 8.230 nan 0.000 0.600 56 G N 0.000 108.478 108.800 -0.537 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 44.934 45.100 -0.276 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000