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 1f7z_1_I 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 0.000 176.164 176.300 -0.226 0.000 0.893 1 R CA 0.000 55.986 56.100 -0.189 0.000 0.921 1 R CB 0.000 30.147 30.300 -0.255 0.000 0.687 2 P HA 0.051 nan 4.420 nan 0.000 0.267 2 P C -0.037 176.977 177.300 -0.477 0.000 1.200 2 P CA -0.069 62.750 63.100 -0.468 0.000 0.772 2 P CB 0.538 31.717 31.700 -0.869 0.000 0.855 3 D N 1.912 122.145 120.400 -0.278 0.000 2.178 3 D HA -0.204 4.436 4.640 -0.000 0.000 0.201 3 D C 1.415 177.669 176.300 -0.077 0.000 0.980 3 D CA 1.215 55.139 54.000 -0.127 0.000 0.842 3 D CB -0.779 40.009 40.800 -0.020 0.000 0.948 3 D HN 0.518 nan 8.370 nan 0.000 0.472 4 F N 0.520 120.491 119.950 0.034 0.000 2.546 4 F HA 0.112 4.639 4.527 -0.000 0.000 0.298 4 F C 1.898 177.756 175.800 0.098 0.000 1.120 4 F CA -0.571 57.455 58.000 0.043 0.000 1.456 4 F CB -1.189 37.824 39.000 0.022 0.000 1.088 4 F HN -0.031 nan 8.300 nan 0.000 0.572 5 c N 1.060 119.563 118.600 -0.162 0.000 2.481 5 c HA 0.128 4.698 4.570 -0.000 0.000 0.275 5 c C 2.452 176.672 174.090 0.217 0.000 1.419 5 c CA 0.300 56.670 56.329 0.068 0.000 1.773 5 c CB -1.450 40.931 42.510 -0.214 0.000 1.862 5 c HN 0.588 nan 8.230 nan 0.000 0.530 6 L N -0.014 121.281 121.223 0.120 0.000 2.607 6 L HA 0.151 4.491 4.340 -0.000 0.000 0.228 6 L C 0.643 177.587 176.870 0.123 0.000 1.123 6 L CA 0.423 55.341 54.840 0.130 0.000 0.890 6 L CB -0.299 41.801 42.059 0.068 0.000 1.103 6 L HN 0.265 nan 8.230 nan 0.000 0.468 7 E N 2.195 122.477 120.200 0.137 0.000 2.331 7 E HA 0.240 4.590 4.350 -0.000 0.000 0.272 7 E C -2.095 174.561 176.600 0.093 0.000 1.036 7 E CA -1.965 54.494 56.400 0.099 0.000 0.864 7 E CB 0.630 30.384 29.700 0.089 0.000 1.035 7 E HN -0.037 nan 8.360 nan 0.000 0.408 8 P HA 0.108 nan 4.420 nan 0.000 0.270 8 P C -2.391 174.800 177.300 -0.182 0.000 1.223 8 P CA -1.064 62.008 63.100 -0.048 0.000 0.785 8 P CB -0.403 31.270 31.700 -0.045 0.000 0.923 9 P HA 0.000 nan 4.420 nan 0.000 0.266 9 P C -1.141 175.894 177.300 -0.442 0.000 1.195 9 P CA 0.356 62.889 63.100 -0.945 0.000 0.768 9 P CB 0.177 30.660 31.700 -2.028 0.000 0.838 10 Y N 1.949 122.021 120.300 -0.379 0.000 2.402 10 Y HA 0.217 4.767 4.550 0.000 0.000 0.332 10 Y C 1.372 177.422 175.900 0.251 0.000 0.960 10 Y CA -0.041 58.036 58.100 -0.039 0.000 1.228 10 Y CB 0.947 39.408 38.460 0.001 0.000 1.120 10 Y HN 0.287 nan 8.280 nan 0.000 0.491 11 T N 3.890 118.388 114.554 -0.093 0.000 2.821 11 T HA 0.213 4.563 4.350 -0.000 0.000 0.267 11 T C 0.736 175.282 174.700 -0.256 0.000 1.046 11 T CA 1.478 63.580 62.100 0.004 0.000 1.139 11 T CB -0.759 68.076 68.868 -0.056 0.000 0.871 11 T HN 1.151 nan 8.240 nan 0.000 0.454 12 G N 1.323 109.608 108.800 -0.859 0.000 2.756 12 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.678 12 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.678 12 G C -2.010 172.696 174.900 -0.324 0.000 1.349 12 G CA -0.293 44.406 45.100 -0.667 0.000 0.847 12 G HN 0.145 nan 8.290 nan 0.000 0.548 13 P HA 0.136 nan 4.420 nan 0.000 0.227 13 P C 1.077 178.313 177.300 -0.108 0.000 1.161 13 P CA 0.783 63.825 63.100 -0.096 0.000 0.788 13 P CB 0.094 31.779 31.700 -0.026 0.000 0.822 14 c N 1.261 119.777 118.600 -0.141 0.000 2.657 14 c HA 0.170 4.740 4.570 -0.000 0.000 0.404 14 c C 1.575 175.565 174.090 -0.166 0.000 1.291 14 c CA -0.095 56.144 56.329 -0.150 0.000 2.218 14 c CB -0.213 42.186 42.510 -0.185 0.000 2.687 14 c HN 0.213 nan 8.230 nan 0.000 0.634 15 K N 1.186 121.506 120.400 -0.132 0.000 2.681 15 K HA 0.346 4.666 4.320 -0.000 0.000 0.211 15 K C 0.339 176.867 176.600 -0.120 0.000 1.075 15 K CA -0.082 56.135 56.287 -0.117 0.000 1.141 15 K CB 0.295 32.746 32.500 -0.082 0.000 0.896 15 K HN 0.735 nan 8.250 nan 0.000 0.470 16 A N 1.448 124.173 122.820 -0.158 0.000 2.246 16 A HA 0.403 4.723 4.320 -0.000 0.000 0.291 16 A C -0.269 177.228 177.584 -0.145 0.000 1.103 16 A CA -0.519 51.433 52.037 -0.141 0.000 0.844 16 A CB 0.533 19.438 19.000 -0.159 0.000 1.136 16 A HN 0.345 nan 8.150 nan 0.000 0.500 17 R N 0.987 121.418 120.500 -0.114 0.000 2.363 17 R HA 0.509 4.849 4.340 -0.000 0.000 0.297 17 R C -1.847 174.393 176.300 -0.100 0.000 1.208 17 R CA -0.108 55.929 56.100 -0.105 0.000 1.121 17 R CB 0.040 30.294 30.300 -0.076 0.000 1.124 17 R HN 0.662 nan 8.270 nan 0.000 0.561 18 I N 5.407 125.906 120.570 -0.118 0.000 2.389 18 I HA 0.304 4.474 4.170 -0.000 0.000 0.288 18 I C 0.102 176.140 176.117 -0.131 0.000 0.999 18 I CA -1.025 60.227 61.300 -0.081 0.000 1.129 18 I CB 1.814 39.805 38.000 -0.015 0.000 1.288 18 I HN 0.333 nan 8.210 nan 0.000 0.444 19 I N 6.673 127.160 120.570 -0.139 0.000 2.396 19 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 19 I C 0.466 176.423 176.117 -0.267 0.000 1.056 19 I CA 0.044 61.209 61.300 -0.226 0.000 1.365 19 I CB 0.047 37.939 38.000 -0.180 0.000 1.407 19 I HN 0.532 nan 8.210 nan 0.000 0.509 20 R N 5.043 125.286 120.500 -0.429 0.000 2.930 20 R HA 0.538 4.878 4.340 -0.000 0.000 0.257 20 R C -1.241 174.978 176.300 -0.134 0.000 1.107 20 R CA -0.958 54.977 56.100 -0.275 0.000 0.999 20 R CB 1.533 31.645 30.300 -0.315 0.000 1.209 20 R HN 0.289 nan 8.270 nan 0.000 0.486 21 Y N 0.443 120.970 120.300 0.377 0.000 2.446 21 Y HA 0.505 5.055 4.550 -0.000 0.000 0.338 21 Y C 0.087 176.481 175.900 0.823 0.000 1.055 21 Y CA -0.631 57.784 58.100 0.525 0.000 1.101 21 Y CB 1.348 40.000 38.460 0.319 0.000 1.221 21 Y HN 0.464 nan 8.280 nan 0.000 0.460 22 F N 0.255 120.588 119.950 0.638 0.000 2.613 22 F HA 0.530 5.057 4.527 -0.000 0.000 0.310 22 F C -1.984 174.032 175.800 0.360 0.000 1.085 22 F CA -2.060 56.233 58.000 0.489 0.000 0.945 22 F CB 0.777 39.840 39.000 0.105 0.000 1.298 22 F HN 0.384 nan 8.300 nan 0.000 0.455 23 Y N 3.385 123.744 120.300 0.098 0.000 2.365 23 Y HA 0.347 4.897 4.550 0.000 0.000 0.340 23 Y C -0.173 175.621 175.900 -0.176 0.000 1.016 23 Y CA -0.438 57.588 58.100 -0.123 0.000 1.196 23 Y CB 0.445 38.910 38.460 0.009 0.000 1.167 23 Y HN 0.768 nan 8.280 nan 0.000 0.509 24 N N 5.305 123.466 118.700 -0.899 0.000 2.645 24 N HA 0.190 4.930 4.740 -0.000 0.000 0.233 24 N C 0.489 175.590 175.510 -0.682 0.000 1.058 24 N CA 0.497 53.216 53.050 -0.552 0.000 0.942 24 N CB 1.127 39.338 38.487 -0.460 0.000 1.210 24 N HN 0.923 nan 8.380 nan 0.000 0.512 25 A N 4.267 126.845 122.820 -0.404 0.000 1.908 25 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 25 A C 2.053 179.560 177.584 -0.129 0.000 1.181 25 A CA 1.404 53.332 52.037 -0.183 0.000 0.627 25 A CB -0.382 18.686 19.000 0.114 0.000 0.818 25 A HN 0.730 nan 8.150 nan 0.000 0.445 26 K N -0.597 119.751 120.400 -0.086 0.000 2.152 26 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 26 K C 1.743 178.298 176.600 -0.075 0.000 1.048 26 K CA 1.361 57.619 56.287 -0.049 0.000 0.933 26 K CB -0.228 32.262 32.500 -0.016 0.000 0.721 26 K HN 0.431 nan 8.250 nan 0.000 0.447 27 A N -0.600 122.136 122.820 -0.140 0.000 2.197 27 A HA 0.272 4.592 4.320 -0.000 0.000 0.210 27 A C 1.314 178.802 177.584 -0.161 0.000 1.180 27 A CA 0.725 52.683 52.037 -0.132 0.000 0.846 27 A CB 0.244 19.162 19.000 -0.136 0.000 0.884 27 A HN 0.464 nan 8.150 nan 0.000 0.487 28 G N -0.693 107.952 108.800 -0.258 0.000 2.136 28 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.242 28 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.242 28 G C 0.082 174.865 174.900 -0.195 0.000 0.989 28 G CA 0.685 45.675 45.100 -0.183 0.000 0.682 28 G HN 1.625 nan 8.290 nan 0.000 0.522 29 L N -3.674 117.313 121.223 -0.394 0.000 2.654 29 L HA 0.868 5.208 4.340 -0.000 0.000 0.257 29 L C -0.306 176.348 176.870 -0.361 0.000 1.093 29 L CA -1.491 53.210 54.840 -0.231 0.000 0.903 29 L CB 1.179 43.163 42.059 -0.125 0.000 1.520 29 L HN 0.072 nan 8.230 nan 0.000 0.402 30 c N 1.009 119.510 118.600 -0.165 0.000 2.330 30 c HA 0.642 5.212 4.570 -0.000 0.000 0.344 30 c C 0.206 174.241 174.090 -0.091 0.000 1.273 30 c CA -0.100 56.133 56.329 -0.160 0.000 1.879 30 c CB 0.593 43.074 42.510 -0.049 0.000 2.376 30 c HN 0.763 nan 8.230 nan 0.000 0.534 31 Q N 0.574 120.235 119.800 -0.232 0.000 2.814 31 Q HA 0.649 4.989 4.340 -0.000 0.000 0.283 31 Q C -0.242 175.920 176.000 0.270 0.000 1.071 31 Q CA -0.594 55.212 55.803 0.004 0.000 0.849 31 Q CB 1.810 30.498 28.738 -0.084 0.000 1.437 31 Q HN 0.793 nan 8.270 nan 0.000 0.492 32 T N -1.344 113.381 114.554 0.285 0.000 2.945 32 T HA 0.774 5.124 4.350 -0.000 0.000 0.286 32 T C -0.643 174.338 174.700 0.468 0.000 1.025 32 T CA -0.616 61.611 62.100 0.211 0.000 1.039 32 T CB 0.738 69.531 68.868 -0.126 0.000 1.068 32 T HN 0.506 nan 8.240 nan 0.000 0.497 33 F N -0.919 119.101 119.950 0.117 0.000 2.711 33 F HA 0.750 5.277 4.527 -0.000 0.000 0.313 33 F C -1.860 173.942 175.800 0.003 0.000 1.141 33 F CA -1.782 56.230 58.000 0.020 0.000 0.941 33 F CB 0.735 39.641 39.000 -0.157 0.000 1.349 33 F HN 0.444 nan 8.300 nan 0.000 0.464 34 V N 2.884 122.726 119.914 -0.119 0.000 2.364 34 V HA 0.223 4.343 4.120 -0.000 0.000 0.272 34 V C -1.026 174.930 176.094 -0.231 0.000 1.036 34 V CA -0.496 61.671 62.300 -0.221 0.000 0.880 34 V CB 0.515 32.292 31.823 -0.077 0.000 0.991 34 V HN 0.737 nan 8.190 nan 0.000 0.460 35 Y N 3.657 123.649 120.300 -0.513 0.000 2.323 35 Y HA 0.596 5.146 4.550 -0.000 0.000 0.331 35 Y C 1.211 177.012 175.900 -0.164 0.000 1.092 35 Y CA -0.813 57.102 58.100 -0.308 0.000 1.150 35 Y CB 1.856 40.100 38.460 -0.360 0.000 1.200 35 Y HN 0.611 nan 8.280 nan 0.000 0.472 36 G N 2.233 110.697 108.800 -0.561 0.000 2.534 36 G HA2 0.247 4.207 3.960 -0.000 0.000 0.217 36 G HA3 0.247 4.207 3.960 -0.000 0.000 0.217 36 G C 1.030 175.518 174.900 -0.687 0.000 1.128 36 G CA 0.445 45.231 45.100 -0.524 0.000 0.784 36 G HN 1.661 nan 8.290 nan 0.000 0.542 37 G N -1.941 106.030 108.800 -1.382 0.000 2.211 37 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.201 37 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.201 37 G C 0.317 174.957 174.900 -0.433 0.000 0.997 37 G CA 0.322 44.949 45.100 -0.788 0.000 0.652 37 G HN 1.590 nan 8.290 nan 0.000 0.500 38 c N -2.246 116.114 118.600 -0.400 0.000 3.239 38 c HA 0.823 5.393 4.570 -0.000 0.000 0.317 38 c C 0.728 174.941 174.090 0.206 0.000 1.310 38 c CA -0.260 56.079 56.329 0.018 0.000 1.371 38 c CB 1.263 43.760 42.510 -0.022 0.000 1.714 38 c HN 1.152 nan 8.230 nan 0.000 0.473 39 R N -0.003 120.636 120.500 0.233 0.000 3.336 39 R HA -0.074 4.266 4.340 -0.000 0.000 0.260 39 R C 0.443 176.972 176.300 0.381 0.000 1.032 39 R CA 0.842 57.095 56.100 0.256 0.000 0.693 39 R CB -1.966 28.484 30.300 0.250 0.000 1.134 39 R HN 1.484 nan 8.270 nan 0.000 0.433 40 A N 1.068 124.093 122.820 0.341 0.000 2.483 40 A HA 0.268 4.588 4.320 -0.000 0.000 0.238 40 A C 0.655 178.270 177.584 0.051 0.000 1.070 40 A CA 0.246 52.384 52.037 0.169 0.000 0.770 40 A CB 0.451 19.296 19.000 -0.259 0.000 1.008 40 A HN 0.315 nan 8.150 nan 0.000 0.497 41 K N 0.297 120.716 120.400 0.032 0.000 2.240 41 K HA 0.335 4.655 4.320 -0.000 0.000 0.237 41 K C 1.037 177.520 176.600 -0.194 0.000 1.027 41 K CA -0.763 55.463 56.287 -0.101 0.000 0.937 41 K CB 0.740 33.170 32.500 -0.116 0.000 1.171 41 K HN 0.663 nan 8.250 nan 0.000 0.479 42 R N 0.487 120.819 120.500 -0.279 0.000 2.148 42 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 42 R C 0.715 176.752 176.300 -0.440 0.000 1.088 42 R CA 0.657 56.439 56.100 -0.530 0.000 0.985 42 R CB -0.174 29.507 30.300 -1.033 0.000 0.880 42 R HN 0.350 nan 8.270 nan 0.000 0.451 43 N N 1.910 120.574 118.700 -0.059 0.000 3.178 43 N HA -0.040 4.700 4.740 -0.000 0.000 0.300 43 N C -1.366 174.184 175.510 0.066 0.000 1.242 43 N CA 0.147 53.315 53.050 0.197 0.000 1.192 43 N CB -0.311 38.391 38.487 0.359 0.000 1.463 43 N HN 0.076 nan 8.380 nan 0.000 0.539 44 N N 2.076 120.559 118.700 -0.362 0.000 2.572 44 N HA 0.199 4.939 4.740 -0.000 0.000 0.287 44 N C -1.891 173.342 175.510 -0.461 0.000 1.136 44 N CA -0.232 52.753 53.050 -0.108 0.000 0.900 44 N CB 0.304 38.706 38.487 -0.142 0.000 1.484 44 N HN -0.053 nan 8.380 nan 0.000 0.526 45 F N 1.358 121.461 119.950 0.254 0.000 2.577 45 F HA 0.496 5.023 4.527 -0.000 0.000 0.318 45 F C 1.607 177.548 175.800 0.235 0.000 1.065 45 F CA -0.813 57.306 58.000 0.199 0.000 0.929 45 F CB 1.945 41.069 39.000 0.205 0.000 1.237 45 F HN 0.221 nan 8.300 nan 0.000 0.468 46 K N 0.282 120.886 120.400 0.339 0.000 2.459 46 K HA 0.119 4.439 4.320 -0.000 0.000 0.193 46 K C -0.073 176.737 176.600 0.350 0.000 1.030 46 K CA 0.499 56.950 56.287 0.273 0.000 1.026 46 K CB 0.142 32.737 32.500 0.158 0.000 0.809 46 K HN 0.652 nan 8.250 nan 0.000 0.504 47 S N -2.226 113.663 115.700 0.316 0.000 2.570 47 S HA 0.521 4.990 4.470 -0.000 0.000 0.270 47 S C 0.424 174.782 174.600 -0.402 0.000 1.149 47 S CA -0.609 57.599 58.200 0.013 0.000 0.837 47 S CB 1.747 64.946 63.200 -0.001 0.000 1.124 47 S HN -0.040 nan 8.310 nan 0.000 0.465 48 A N 1.273 123.548 122.820 -0.908 0.000 1.930 48 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 48 A C 2.033 179.391 177.584 -0.377 0.000 1.175 48 A CA 1.499 53.061 52.037 -0.791 0.000 0.627 48 A CB -0.898 17.678 19.000 -0.706 0.000 0.815 48 A HN 0.894 nan 8.150 nan 0.000 0.443 49 E N 0.949 120.993 120.200 -0.260 0.000 2.038 49 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 49 E C 1.263 177.766 176.600 -0.161 0.000 1.000 49 E CA 1.706 58.006 56.400 -0.166 0.000 0.803 49 E CB -0.948 28.691 29.700 -0.102 0.000 0.750 49 E HN 0.625 nan 8.360 nan 0.000 0.448 50 D N 0.385 120.711 120.400 -0.124 0.000 2.178 50 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 50 D C 2.045 178.136 176.300 -0.349 0.000 0.980 50 D CA 1.316 55.270 54.000 -0.078 0.000 0.842 50 D CB -0.227 40.642 40.800 0.114 0.000 0.948 50 D HN 0.277 nan 8.370 nan 0.000 0.472 51 c N 0.090 118.307 118.600 -0.639 0.000 2.432 51 c HA -0.100 4.470 4.570 -0.000 0.000 0.277 51 c C 2.411 176.095 174.090 -0.676 0.000 1.249 51 c CA 0.524 56.056 56.329 -1.329 0.000 1.725 51 c CB -0.809 41.247 42.510 -0.756 0.000 2.028 51 c HN 0.281 nan 8.230 nan 0.000 0.477 52 M N 0.390 119.772 119.600 -0.364 0.000 2.229 52 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 52 M C 2.289 178.464 176.300 -0.207 0.000 1.063 52 M CA 1.327 56.494 55.300 -0.221 0.000 1.114 52 M CB -1.451 31.063 32.600 -0.143 0.000 1.387 52 M HN 0.547 nan 8.290 nan 0.000 0.420 53 R N -0.366 120.020 120.500 -0.190 0.000 2.075 53 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 53 R C 1.847 178.082 176.300 -0.108 0.000 1.126 53 R CA 1.882 57.910 56.100 -0.120 0.000 0.963 53 R CB -0.038 30.217 30.300 -0.075 0.000 0.858 53 R HN 0.248 nan 8.270 nan 0.000 0.435 54 T N -0.861 113.623 114.554 -0.118 0.000 2.851 54 T HA -0.045 4.305 4.350 -0.000 0.000 0.262 54 T C 1.548 176.188 174.700 -0.100 0.000 1.043 54 T CA 1.082 63.182 62.100 0.000 0.000 1.140 54 T CB 0.054 69.078 68.868 0.261 0.000 0.872 54 T HN 0.357 nan 8.240 nan 0.000 0.446 55 c N 1.332 119.767 118.600 -0.276 0.000 3.183 55 c HA 0.497 5.067 4.570 -0.000 0.000 0.285 55 c C 1.875 175.514 174.090 -0.751 0.000 1.313 55 c CA -1.424 54.593 56.329 -0.520 0.000 1.711 55 c CB -1.100 41.062 42.510 -0.581 0.000 2.135 55 c HN 0.612 nan 8.230 nan 0.000 0.651 56 G N 0.000 108.536 108.800 -0.440 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 44.925 45.100 -0.292 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000