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 2ra3_1_C 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 0.000 176.203 176.300 -0.162 0.000 0.893 1 R CA 0.000 56.042 56.100 -0.097 0.000 0.921 1 R CB 0.000 30.242 30.300 -0.096 0.000 0.687 2 P HA 0.023 nan 4.420 nan 0.000 0.268 2 P C -0.160 176.841 177.300 -0.497 0.000 1.208 2 P CA -0.039 62.841 63.100 -0.367 0.000 0.777 2 P CB 0.675 32.043 31.700 -0.554 0.000 0.875 3 D N 1.863 122.057 120.400 -0.344 0.000 2.097 3 D HA -0.197 4.443 4.640 -0.001 0.000 0.195 3 D C 1.398 177.548 176.300 -0.251 0.000 0.989 3 D CA 1.271 55.129 54.000 -0.236 0.000 0.827 3 D CB -0.696 40.055 40.800 -0.083 0.000 0.966 3 D HN 0.481 nan 8.370 nan 0.000 0.456 4 F N -0.433 119.513 119.950 -0.007 0.000 2.500 4 F HA -0.123 4.404 4.527 -0.000 0.000 0.294 4 F C 2.158 177.969 175.800 0.018 0.000 1.101 4 F CA -0.020 57.979 58.000 -0.002 0.000 1.484 4 F CB -1.568 37.431 39.000 -0.001 0.000 1.110 4 F HN 0.028 nan 8.300 nan 0.000 0.603 5 C N 0.823 120.047 119.300 -0.126 0.000 2.432 5 C HA -0.049 4.411 4.460 -0.001 0.000 0.280 5 C C 2.305 177.274 174.990 -0.035 0.000 1.353 5 C CA 0.590 59.558 59.018 -0.084 0.000 1.766 5 C CB -1.273 26.218 27.740 -0.414 0.000 1.924 5 C HN 0.602 nan 8.230 nan 0.000 0.509 6 L N 0.484 121.678 121.223 -0.048 0.000 2.591 6 L HA 0.214 4.554 4.340 -0.001 0.000 0.228 6 L C 0.864 177.754 176.870 0.034 0.000 1.133 6 L CA 0.893 55.718 54.840 -0.025 0.000 0.880 6 L CB -0.789 41.237 42.059 -0.055 0.000 1.033 6 L HN 0.215 nan 8.230 nan 0.000 0.450 7 E N 0.493 120.727 120.200 0.056 0.000 2.313 7 E HA 0.323 4.673 4.350 -0.001 0.000 0.272 7 E C -2.194 174.409 176.600 0.005 0.000 1.038 7 E CA -2.638 53.779 56.400 0.028 0.000 0.863 7 E CB 0.271 29.979 29.700 0.013 0.000 1.060 7 E HN -0.114 nan 8.360 nan 0.000 0.402 8 P HA 0.044 nan 4.420 nan 0.000 0.265 8 P C -2.299 174.854 177.300 -0.244 0.000 1.193 8 P CA -0.682 62.344 63.100 -0.124 0.000 0.765 8 P CB -0.271 31.383 31.700 -0.078 0.000 0.823 9 P HA -0.060 nan 4.420 nan 0.000 0.267 9 P C -1.120 175.913 177.300 -0.446 0.000 1.201 9 P CA 0.479 63.056 63.100 -0.871 0.000 0.775 9 P CB 0.293 30.751 31.700 -2.070 0.000 0.854 10 Y N 0.940 121.022 120.300 -0.364 0.000 2.345 10 Y HA 0.195 4.745 4.550 -0.001 0.000 0.331 10 Y C 1.351 177.403 175.900 0.254 0.000 0.959 10 Y CA -0.165 57.911 58.100 -0.041 0.000 1.204 10 Y CB 1.139 39.590 38.460 -0.015 0.000 1.135 10 Y HN 0.250 nan 8.280 nan 0.000 0.477 11 T N 3.915 118.396 114.554 -0.121 0.000 2.777 11 T HA 0.185 4.535 4.350 -0.001 0.000 0.266 11 T C 0.804 175.331 174.700 -0.288 0.000 1.040 11 T CA 1.444 63.535 62.100 -0.015 0.000 1.141 11 T CB -0.686 68.146 68.868 -0.061 0.000 0.868 11 T HN 1.138 nan 8.240 nan 0.000 0.444 12 G N 1.358 109.623 108.800 -0.892 0.000 2.796 12 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.571 12 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.571 12 G C -2.091 172.633 174.900 -0.293 0.000 1.370 12 G CA -0.271 44.445 45.100 -0.640 0.000 0.856 12 G HN 0.194 nan 8.290 nan 0.000 0.538 13 P HA 0.201 nan 4.420 nan 0.000 0.235 13 P C 1.031 178.271 177.300 -0.100 0.000 1.177 13 P CA 0.610 63.658 63.100 -0.086 0.000 0.785 13 P CB 0.131 31.819 31.700 -0.021 0.000 0.885 14 c N 0.889 119.407 118.600 -0.136 0.000 2.580 14 c HA 0.224 4.794 4.570 -0.001 0.000 0.371 14 c C 1.672 175.665 174.090 -0.163 0.000 1.308 14 c CA -0.111 56.131 56.329 -0.145 0.000 2.428 14 c CB 0.076 42.482 42.510 -0.174 0.000 2.529 14 c HN 0.187 nan 8.230 nan 0.000 0.657 15 K N 0.629 120.949 120.400 -0.133 0.000 2.514 15 K HA 0.299 4.619 4.320 -0.001 0.000 0.207 15 K C 0.418 176.949 176.600 -0.114 0.000 1.035 15 K CA -0.101 56.119 56.287 -0.112 0.000 1.113 15 K CB 0.384 32.837 32.500 -0.078 0.000 0.846 15 K HN 0.741 nan 8.250 nan 0.000 0.491 16 A N 1.440 124.170 122.820 -0.148 0.000 2.327 16 A HA 0.248 4.568 4.320 -0.001 0.000 0.255 16 A C 0.123 177.627 177.584 -0.133 0.000 1.099 16 A CA -0.154 51.802 52.037 -0.135 0.000 0.801 16 A CB 0.386 19.293 19.000 -0.154 0.000 1.062 16 A HN 0.195 nan 8.150 nan 0.000 0.496 17 R N 1.315 121.755 120.500 -0.101 0.000 2.477 17 R HA 0.421 4.760 4.340 -0.001 0.000 0.285 17 R C -1.680 174.570 176.300 -0.084 0.000 1.415 17 R CA -0.092 55.954 56.100 -0.090 0.000 1.446 17 R CB -0.317 29.945 30.300 -0.065 0.000 1.110 17 R HN 0.669 nan 8.270 nan 0.000 0.590 18 I N 5.137 125.648 120.570 -0.099 0.000 2.339 18 I HA 0.334 4.504 4.170 -0.001 0.000 0.290 18 I C 0.546 176.600 176.117 -0.105 0.000 0.994 18 I CA -0.725 60.538 61.300 -0.060 0.000 1.191 18 I CB 1.858 39.858 38.000 0.001 0.000 1.343 18 I HN 0.296 nan 8.210 nan 0.000 0.458 19 I N 7.143 127.652 120.570 -0.102 0.000 2.379 19 I HA 0.239 4.409 4.170 -0.001 0.000 0.290 19 I C 0.389 176.397 176.117 -0.182 0.000 1.063 19 I CA -0.132 61.065 61.300 -0.171 0.000 1.351 19 I CB 0.013 37.939 38.000 -0.123 0.000 1.410 19 I HN 0.497 nan 8.210 nan 0.000 0.505 20 R N 4.947 125.236 120.500 -0.351 0.000 2.939 20 R HA 0.558 4.897 4.340 -0.001 0.000 0.254 20 R C -1.332 174.933 176.300 -0.058 0.000 1.123 20 R CA -1.085 54.904 56.100 -0.184 0.000 1.020 20 R CB 1.693 31.809 30.300 -0.307 0.000 1.206 20 R HN 0.298 nan 8.270 nan 0.000 0.491 21 Y N 0.318 120.828 120.300 0.349 0.000 2.446 21 Y HA 0.460 5.010 4.550 -0.000 0.000 0.338 21 Y C 0.187 176.570 175.900 0.805 0.000 1.055 21 Y CA -0.653 57.739 58.100 0.487 0.000 1.101 21 Y CB 1.337 39.962 38.460 0.275 0.000 1.221 21 Y HN 0.492 nan 8.280 nan 0.000 0.460 22 F N -0.495 119.819 119.950 0.607 0.000 2.640 22 F HA 0.568 5.095 4.527 -0.000 0.000 0.324 22 F C -1.737 174.273 175.800 0.351 0.000 1.077 22 F CA -1.941 56.345 58.000 0.477 0.000 0.965 22 F CB 1.188 40.257 39.000 0.115 0.000 1.351 22 F HN 0.429 nan 8.300 nan 0.000 0.487 23 Y N 2.711 123.169 120.300 0.263 0.000 2.436 23 Y HA 0.265 4.815 4.550 -0.001 0.000 0.343 23 Y C -0.299 175.619 175.900 0.030 0.000 1.008 23 Y CA -0.310 57.800 58.100 0.017 0.000 1.241 23 Y CB 0.285 38.819 38.460 0.123 0.000 1.153 23 Y HN 0.706 nan 8.280 nan 0.000 0.521 24 N N 5.427 124.023 118.700 -0.173 0.000 2.609 24 N HA 0.469 5.209 4.740 -0.001 0.000 0.234 24 N C -0.204 175.460 175.510 0.256 0.000 1.001 24 N CA 0.757 53.916 53.050 0.180 0.000 0.926 24 N CB 0.338 38.780 38.487 -0.075 0.000 1.130 24 N HN 1.072 nan 8.380 nan 0.000 0.510 25 A N 3.631 126.736 122.820 0.476 0.000 5.436 25 A HA -0.240 4.080 4.320 -0.001 0.000 0.274 25 A C 0.687 178.463 177.584 0.321 0.000 2.149 25 A CA 0.898 53.116 52.037 0.302 0.000 0.715 25 A CB -1.029 18.075 19.000 0.174 0.000 1.126 25 A HN 0.578 nan 8.150 nan 0.000 0.348 26 K N 0.540 121.036 120.400 0.161 0.000 2.444 26 K HA 0.418 4.738 4.320 -0.001 0.000 0.193 26 K C 0.988 177.643 176.600 0.092 0.000 1.024 26 K CA 1.079 57.437 56.287 0.118 0.000 1.077 26 K CB -0.122 32.418 32.500 0.066 0.000 0.833 26 K HN 1.315 nan 8.250 nan 0.000 0.517 27 A N 1.049 123.903 122.820 0.057 0.000 3.264 27 A HA 0.413 4.733 4.320 -0.001 0.000 0.299 27 A C 1.054 178.529 177.584 -0.182 0.000 1.272 27 A CA -0.079 51.928 52.037 -0.049 0.000 1.030 27 A CB -0.592 18.373 19.000 -0.059 0.000 1.102 27 A HN 0.250 nan 8.150 nan 0.000 0.615 28 G N 0.369 109.098 108.800 -0.119 0.000 2.426 28 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.327 28 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.327 28 G C 0.089 174.829 174.900 -0.266 0.000 0.809 28 G CA 1.578 46.598 45.100 -0.133 0.000 0.830 28 G HN 1.650 nan 8.290 nan 0.000 0.500 29 L N -4.029 116.913 121.223 -0.469 0.000 2.506 29 L HA 0.743 5.083 4.340 -0.001 0.000 0.257 29 L C -0.304 176.260 176.870 -0.510 0.000 0.964 29 L CA -2.109 52.501 54.840 -0.384 0.000 0.836 29 L CB 0.490 42.417 42.059 -0.220 0.000 1.384 29 L HN -0.043 nan 8.230 nan 0.000 0.410 30 c N 1.373 119.770 118.600 -0.338 0.000 2.463 30 c HA 0.738 5.307 4.570 -0.001 0.000 0.380 30 c C 0.155 174.166 174.090 -0.132 0.000 1.264 30 c CA -0.149 56.028 56.329 -0.253 0.000 2.161 30 c CB 0.645 43.075 42.510 -0.133 0.000 2.515 30 c HN 0.809 nan 8.230 nan 0.000 0.565 31 Q N 0.702 120.340 119.800 -0.271 0.000 2.433 31 Q HA 0.505 4.844 4.340 -0.001 0.000 0.279 31 Q C -0.343 175.631 176.000 -0.042 0.000 1.105 31 Q CA -0.361 55.310 55.803 -0.220 0.000 0.815 31 Q CB 2.348 30.835 28.738 -0.417 0.000 1.403 31 Q HN 0.834 nan 8.270 nan 0.000 0.435 32 T N -1.104 113.427 114.554 -0.038 0.000 2.899 32 T HA 0.712 5.062 4.350 -0.001 0.000 0.284 32 T C -0.278 174.652 174.700 0.383 0.000 1.004 32 T CA -0.449 61.612 62.100 -0.065 0.000 1.043 32 T CB 0.376 69.081 68.868 -0.272 0.000 1.013 32 T HN 0.518 nan 8.240 nan 0.000 0.518 33 F N -1.217 118.793 119.950 0.102 0.000 2.711 33 F HA 0.695 5.221 4.527 -0.001 0.000 0.313 33 F C -1.777 174.047 175.800 0.040 0.000 1.141 33 F CA -1.716 56.335 58.000 0.086 0.000 0.941 33 F CB 0.944 39.960 39.000 0.027 0.000 1.349 33 F HN 0.423 nan 8.300 nan 0.000 0.464 34 V N 2.972 122.852 119.914 -0.057 0.000 2.385 34 V HA 0.177 4.297 4.120 -0.001 0.000 0.269 34 V C -1.000 174.986 176.094 -0.179 0.000 1.043 34 V CA -0.403 61.796 62.300 -0.167 0.000 0.906 34 V CB 0.475 32.275 31.823 -0.040 0.000 0.995 34 V HN 0.686 nan 8.190 nan 0.000 0.467 35 Y N 3.779 123.784 120.300 -0.491 0.000 2.320 35 Y HA 0.598 5.147 4.550 -0.000 0.000 0.334 35 Y C 1.171 176.980 175.900 -0.153 0.000 1.055 35 Y CA -0.873 57.054 58.100 -0.288 0.000 1.143 35 Y CB 1.880 40.136 38.460 -0.341 0.000 1.193 35 Y HN 0.589 nan 8.280 nan 0.000 0.477 36 G N 2.092 110.565 108.800 -0.545 0.000 2.712 36 G HA2 0.295 4.255 3.960 -0.001 0.000 0.212 36 G HA3 0.295 4.255 3.960 -0.001 0.000 0.212 36 G C 1.003 175.503 174.900 -0.666 0.000 1.142 36 G CA 0.350 45.152 45.100 -0.496 0.000 0.789 36 G HN 1.606 nan 8.290 nan 0.000 0.535 37 G N -1.724 106.257 108.800 -1.365 0.000 2.201 37 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.212 37 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.212 37 G C 0.345 174.992 174.900 -0.422 0.000 0.994 37 G CA 0.364 44.979 45.100 -0.809 0.000 0.644 37 G HN 1.508 nan 8.290 nan 0.000 0.508 38 c N -2.056 116.315 118.600 -0.382 0.000 3.173 38 c HA 0.895 5.465 4.570 -0.001 0.000 0.310 38 c C 0.694 174.907 174.090 0.205 0.000 1.306 38 c CA -0.335 56.004 56.329 0.018 0.000 1.426 38 c CB 2.002 44.504 42.510 -0.014 0.000 1.800 38 c HN 1.083 nan 8.230 nan 0.000 0.470 39 R N -0.614 120.027 120.500 0.234 0.000 3.656 39 R HA -0.128 4.212 4.340 -0.001 0.000 0.297 39 R C 0.359 176.876 176.300 0.361 0.000 1.166 39 R CA 1.106 57.357 56.100 0.252 0.000 0.799 39 R CB -2.540 27.919 30.300 0.265 0.000 1.285 39 R HN 1.858 nan 8.270 nan 0.000 0.477 40 A N 1.217 124.244 122.820 0.345 0.000 2.565 40 A HA 0.164 4.483 4.320 -0.001 0.000 0.237 40 A C 0.852 178.466 177.584 0.050 0.000 1.053 40 A CA 0.605 52.743 52.037 0.169 0.000 0.755 40 A CB 0.366 19.265 19.000 -0.168 0.000 0.980 40 A HN 0.291 nan 8.150 nan 0.000 0.506 41 K N 0.809 121.231 120.400 0.036 0.000 2.209 41 K HA 0.315 4.635 4.320 -0.001 0.000 0.238 41 K C 1.033 177.505 176.600 -0.214 0.000 1.028 41 K CA -0.697 55.519 56.287 -0.118 0.000 0.935 41 K CB 0.692 33.107 32.500 -0.141 0.000 1.162 41 K HN 0.678 nan 8.250 nan 0.000 0.485 42 R N 0.428 120.736 120.500 -0.320 0.000 2.193 42 R HA -0.028 4.312 4.340 -0.001 0.000 0.213 42 R C 0.521 176.505 176.300 -0.527 0.000 1.055 42 R CA 0.402 56.118 56.100 -0.639 0.000 0.995 42 R CB -0.081 29.477 30.300 -1.238 0.000 0.893 42 R HN 0.346 nan 8.270 nan 0.000 0.459 43 N N 2.012 120.652 118.700 -0.100 0.000 3.124 43 N HA -0.028 4.712 4.740 -0.001 0.000 0.284 43 N C -1.446 174.094 175.510 0.050 0.000 1.209 43 N CA 0.118 53.271 53.050 0.172 0.000 1.149 43 N CB -0.201 38.489 38.487 0.337 0.000 1.434 43 N HN 0.062 nan 8.380 nan 0.000 0.529 44 N N 2.599 121.099 118.700 -0.333 0.000 2.697 44 N HA 0.174 4.914 4.740 -0.001 0.000 0.271 44 N C -2.011 173.264 175.510 -0.392 0.000 1.149 44 N CA -0.232 52.776 53.050 -0.070 0.000 0.939 44 N CB 0.041 38.459 38.487 -0.115 0.000 1.534 44 N HN -0.006 nan 8.380 nan 0.000 0.556 45 F N 1.555 121.658 119.950 0.255 0.000 2.576 45 F HA 0.474 5.000 4.527 -0.000 0.000 0.313 45 F C 1.511 177.433 175.800 0.204 0.000 1.078 45 F CA -0.748 57.370 58.000 0.196 0.000 0.921 45 F CB 2.292 41.419 39.000 0.212 0.000 1.232 45 F HN 0.249 nan 8.300 nan 0.000 0.459 46 K N 0.357 120.944 120.400 0.312 0.000 2.400 46 K HA 0.132 4.452 4.320 -0.001 0.000 0.194 46 K C -0.055 176.685 176.600 0.233 0.000 1.033 46 K CA 0.410 56.833 56.287 0.226 0.000 1.021 46 K CB 0.266 32.846 32.500 0.134 0.000 0.808 46 K HN 0.607 nan 8.250 nan 0.000 0.505 47 S N -2.050 113.748 115.700 0.163 0.000 2.570 47 S HA 0.528 4.998 4.470 -0.001 0.000 0.270 47 S C 0.540 174.817 174.600 -0.538 0.000 1.149 47 S CA -0.596 57.523 58.200 -0.136 0.000 0.837 47 S CB 1.750 64.898 63.200 -0.087 0.000 1.124 47 S HN -0.034 nan 8.310 nan 0.000 0.465 48 A N 1.085 123.225 122.820 -1.133 0.000 1.940 48 A HA -0.038 4.281 4.320 -0.001 0.000 0.219 48 A C 1.773 179.089 177.584 -0.447 0.000 1.176 48 A CA 2.042 53.510 52.037 -0.948 0.000 0.631 48 A CB -1.130 17.401 19.000 -0.782 0.000 0.814 48 A HN 0.887 nan 8.150 nan 0.000 0.446 49 E N 0.605 120.617 120.200 -0.315 0.000 2.051 49 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 49 E C 1.597 178.088 176.600 -0.181 0.000 0.991 49 E CA 1.499 57.781 56.400 -0.197 0.000 0.799 49 E CB -0.270 29.353 29.700 -0.127 0.000 0.748 49 E HN 0.878 nan 8.360 nan 0.000 0.449 50 D N -0.536 119.777 120.400 -0.145 0.000 2.323 50 D HA -0.086 4.554 4.640 -0.001 0.000 0.209 50 D C 1.758 177.830 176.300 -0.379 0.000 0.973 50 D CA 0.238 54.181 54.000 -0.094 0.000 0.874 50 D CB -0.762 40.086 40.800 0.080 0.000 0.930 50 D HN 0.232 nan 8.370 nan 0.000 0.521 51 c N 0.144 118.345 118.600 -0.666 0.000 2.429 51 c HA 0.027 4.597 4.570 -0.001 0.000 0.277 51 c C 2.489 176.208 174.090 -0.618 0.000 1.262 51 c CA 0.706 56.279 56.329 -1.260 0.000 1.733 51 c CB -0.955 41.134 42.510 -0.702 0.000 2.010 51 c HN 0.369 nan 8.230 nan 0.000 0.483 52 M N -0.346 119.032 119.600 -0.370 0.000 2.394 52 M HA 0.011 4.491 4.480 -0.001 0.000 0.266 52 M C 2.437 178.648 176.300 -0.147 0.000 1.098 52 M CA 0.995 56.162 55.300 -0.221 0.000 1.149 52 M CB -0.659 31.825 32.600 -0.193 0.000 1.369 52 M HN 0.418 nan 8.290 nan 0.000 0.450 53 R N 0.127 120.544 120.500 -0.137 0.000 2.115 53 R HA -0.076 4.263 4.340 -0.001 0.000 0.226 53 R C 1.608 177.877 176.300 -0.052 0.000 1.100 53 R CA 1.641 57.697 56.100 -0.074 0.000 0.980 53 R CB -0.007 30.262 30.300 -0.050 0.000 0.875 53 R HN 0.196 nan 8.270 nan 0.000 0.445 54 T N -0.654 113.856 114.554 -0.074 0.000 2.739 54 T HA -0.043 4.307 4.350 -0.001 0.000 0.246 54 T C 1.668 176.360 174.700 -0.015 0.000 1.058 54 T CA 1.077 63.177 62.100 0.000 0.000 1.184 54 T CB -0.257 68.669 68.868 0.097 0.000 0.887 54 T HN 0.303 nan 8.240 nan 0.000 0.408 55 C N 0.978 120.240 119.300 -0.063 0.000 2.673 55 C HA 0.563 5.022 4.460 -0.001 0.000 0.264 55 C C 1.623 176.625 174.990 0.020 0.000 1.304 55 C CA -0.215 58.796 59.018 -0.011 0.000 1.727 55 C CB -1.538 26.233 27.740 0.052 0.000 1.932 55 C HN 0.954 nan 8.230 nan 0.000 0.563 56 G N 0.000 108.776 108.800 -0.041 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 45.076 45.100 -0.040 0.000 0.000 56 G HN 0.000 nan 8.290 nan 0.000 0.000