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 2yqq_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGLKC STVVCVICLE KPKYRCPACR VPYCSVVCFR KHKEQCNPET DATA SEQUENCE SGPSSG 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.900 174.900 -0.001 0.000 0.946 1 G CA 0.000 45.100 45.100 -0.001 0.000 0.502 2 S N 0.275 115.975 115.700 -0.001 0.000 2.583 2 S HA 0.494 4.964 4.470 -0.001 0.000 0.294 2 S C -0.913 173.687 174.600 -0.001 0.000 1.121 2 S CA -0.265 57.935 58.200 -0.001 0.000 0.910 2 S CB 1.383 64.582 63.200 -0.001 0.000 1.102 2 S HN 0.612 8.921 8.310 -0.001 0.000 0.451 3 S N 2.485 118.185 115.700 -0.001 0.000 2.627 3 S HA 0.867 5.336 4.470 -0.001 0.000 0.283 3 S C -1.293 173.307 174.600 -0.001 0.000 1.127 3 S CA -0.872 57.327 58.200 -0.001 0.000 0.863 3 S CB 2.553 65.752 63.200 -0.001 0.000 1.121 3 S HN 0.263 8.572 8.310 -0.001 0.000 0.479 4 G N 0.065 108.864 108.800 -0.001 0.000 4.579 4 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.237 4 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.237 4 G C -1.236 173.664 174.900 -0.001 0.000 2.441 4 G CA -0.012 45.088 45.100 -0.001 0.000 0.613 4 G HN -0.074 8.215 8.290 -0.001 0.000 0.284 5 S N 0.694 116.393 115.700 -0.001 0.000 2.449 5 S HA 0.226 4.695 4.470 -0.002 0.000 0.310 5 S C -0.217 174.382 174.600 -0.002 0.000 1.096 5 S CA -0.560 57.639 58.200 -0.002 0.000 1.095 5 S CB 1.533 64.731 63.200 -0.002 0.000 1.007 5 S HN -0.292 8.017 8.310 -0.001 0.000 0.474 6 S N 6.122 121.820 115.700 -0.002 0.000 2.404 6 S HA 0.087 4.556 4.470 -0.002 0.000 0.309 6 S C 0.006 174.605 174.600 -0.003 0.000 1.076 6 S CA -0.713 57.486 58.200 -0.002 0.000 1.095 6 S CB 0.477 63.676 63.200 -0.002 0.000 0.972 6 S HN 0.406 8.715 8.310 -0.002 0.000 0.484 7 G N 5.381 114.180 108.800 -0.003 0.000 2.401 7 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.288 7 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.288 7 G C -0.502 174.396 174.900 -0.004 0.000 0.917 7 G CA 0.100 45.199 45.100 -0.003 0.000 1.610 7 G HN 0.429 8.718 8.290 -0.002 0.000 0.439 8 L N 1.726 122.946 121.223 -0.004 0.000 2.737 8 L HA -0.058 4.280 4.340 -0.004 0.000 0.275 8 L C -0.046 176.821 176.870 -0.005 0.000 1.179 8 L CA 0.881 55.718 54.840 -0.004 0.000 0.970 8 L CB -0.713 41.343 42.059 -0.005 0.000 1.268 8 L HN -0.172 8.056 8.230 -0.004 0.000 0.485 9 K N 5.654 126.051 120.400 -0.005 0.000 2.395 9 K HA 0.314 4.630 4.320 -0.007 0.000 0.245 9 K C -1.780 174.816 176.600 -0.007 0.000 1.017 9 K CA -1.182 55.101 56.287 -0.006 0.000 0.852 9 K CB 1.695 34.191 32.500 -0.006 0.000 1.311 9 K HN 0.184 8.431 8.250 -0.005 0.000 0.452 10 C N 0.375 119.670 119.300 -0.009 0.000 2.630 10 C HA 0.359 4.814 4.460 -0.009 0.000 0.346 10 C C -0.065 174.919 174.990 -0.010 0.000 1.245 10 C CA -1.982 57.030 59.018 -0.010 0.000 1.804 10 C CB 2.089 29.822 27.740 -0.012 0.000 2.279 10 C HN -0.096 8.128 8.230 -0.009 0.000 0.498 11 S N 1.772 117.466 115.700 -0.011 0.000 2.442 11 S HA 0.191 4.656 4.470 -0.009 0.000 0.297 11 S C -0.532 174.060 174.600 -0.014 0.000 1.131 11 S CA 0.153 58.347 58.200 -0.010 0.000 1.092 11 S CB 0.646 63.841 63.200 -0.008 0.000 0.998 11 S HN -0.024 8.279 8.310 -0.011 0.000 0.478 12 T N 4.854 119.400 114.554 -0.014 0.000 2.812 12 T HA 0.239 4.576 4.350 -0.022 0.000 0.282 12 T C -1.283 173.407 174.700 -0.016 0.000 0.990 12 T CA -0.155 61.934 62.100 -0.018 0.000 0.960 12 T CB 0.997 69.854 68.868 -0.019 0.000 0.948 12 T HN 0.159 8.392 8.240 -0.011 0.000 0.438 13 V N 6.152 126.053 119.914 -0.020 0.000 3.019 13 V HA 0.439 4.552 4.120 -0.012 0.000 0.317 13 V C -1.560 174.522 176.094 -0.021 0.000 1.094 13 V CA -1.814 60.476 62.300 -0.017 0.000 1.000 13 V CB 1.836 33.650 31.823 -0.015 0.000 1.060 13 V HN 0.030 8.205 8.190 -0.026 0.000 0.443 14 V N 0.032 119.938 119.914 -0.013 0.000 2.962 14 V HA 0.304 4.411 4.120 -0.023 0.000 0.313 14 V C -1.361 174.733 176.094 -0.000 0.000 1.099 14 V CA -3.182 59.110 62.300 -0.012 0.000 0.971 14 V CB 2.041 33.860 31.823 -0.007 0.000 1.028 14 V HN 0.051 8.236 8.190 -0.008 0.000 0.430 15 C N 3.483 122.787 119.300 0.006 0.000 1.986 15 C HA -0.259 4.363 4.460 0.039 -0.138 0.404 15 C C 2.041 177.052 174.990 0.034 0.000 1.551 15 C CA 1.023 60.061 59.018 0.034 0.000 1.457 15 C CB -0.917 26.857 27.740 0.057 0.000 2.639 15 C HN -0.013 8.215 8.230 -0.004 0.000 0.590 16 V N 6.215 126.149 119.914 0.034 0.000 3.623 16 V HA -0.011 4.124 4.120 0.024 0.000 0.274 16 V C -0.830 175.289 176.094 0.041 0.000 1.244 16 V CA 1.581 63.898 62.300 0.029 0.000 1.182 16 V CB -1.144 30.691 31.823 0.019 0.000 0.925 16 V HN 0.056 8.268 8.190 0.036 0.000 0.462 17 I N -0.188 120.414 120.570 0.053 0.000 3.518 17 I HA 0.095 4.295 4.170 0.051 0.000 0.260 17 I C 0.324 176.470 176.117 0.048 0.000 1.148 17 I CA 1.437 62.771 61.300 0.058 0.000 1.440 17 I CB 0.437 38.485 38.000 0.080 0.000 1.485 17 I HN -0.040 8.076 8.210 0.058 0.129 0.456 18 C N -3.991 115.340 119.300 0.052 0.000 3.188 18 C HA 0.339 4.820 4.460 0.036 0.000 0.315 18 C C -0.058 174.951 174.990 0.030 0.000 1.285 18 C CA -0.896 58.146 59.018 0.041 0.000 1.729 18 C CB 2.337 30.106 27.740 0.048 0.000 2.257 18 C HN -0.306 7.961 8.230 0.063 0.000 0.645 19 L N -0.640 120.601 121.223 0.029 0.000 3.418 19 L HA -0.360 4.147 4.340 0.016 -0.158 0.493 19 L C -1.338 175.539 176.870 0.011 0.000 1.315 19 L CA 0.877 55.728 54.840 0.018 0.000 0.885 19 L CB -2.956 39.111 42.059 0.014 0.000 1.727 19 L HN -0.127 8.041 8.230 0.038 0.085 0.837 20 E N -2.156 118.051 120.200 0.012 0.000 2.369 20 E HA 0.198 4.546 4.350 -0.003 0.000 0.270 20 E C -1.211 175.379 176.600 -0.016 0.000 0.909 20 E CA -2.516 53.885 56.400 0.002 0.000 0.775 20 E CB 3.523 33.230 29.700 0.011 0.000 1.270 20 E HN -0.344 8.028 8.360 0.020 0.000 0.445 21 K N 2.618 123.000 120.400 -0.031 0.000 2.321 21 K HA -0.195 4.090 4.320 -0.058 0.000 0.266 21 K C -1.465 175.082 176.600 -0.088 0.000 1.215 21 K CA 0.037 56.289 56.287 -0.058 0.000 1.225 21 K CB -0.806 31.657 32.500 -0.062 0.000 0.827 21 K HN 0.265 8.501 8.250 -0.024 0.000 0.478 22 P HA 0.088 4.426 4.420 -0.136 0.000 0.271 22 P C -0.913 176.211 177.300 -0.294 0.000 1.233 22 P CA -0.379 62.621 63.100 -0.165 0.000 0.764 22 P CB 0.403 32.021 31.700 -0.136 0.000 0.825 23 K N 1.696 121.835 120.400 -0.436 0.000 2.186 23 K HA -0.062 3.902 4.320 -0.592 0.000 0.202 23 K C 0.078 175.993 176.600 -1.140 0.000 1.052 23 K CA 1.917 57.715 56.287 -0.814 0.000 0.965 23 K CB 0.647 32.532 32.500 -1.024 0.000 0.746 23 K HN 0.378 8.426 8.250 -0.336 0.000 0.457 24 Y N -3.324 116.638 120.300 -0.563 0.000 2.715 24 Y HA 0.302 4.640 4.550 -0.354 0.000 0.331 24 Y C -1.830 173.610 175.900 -0.767 0.000 1.197 24 Y CA -2.094 55.627 58.100 -0.633 0.000 1.079 24 Y CB 2.750 40.828 38.460 -0.637 0.000 1.298 24 Y HN -0.677 7.154 8.280 -0.748 0.000 0.477 25 R N -2.006 118.372 120.500 -0.203 0.000 2.867 25 R HA 0.759 5.286 4.340 -0.000 -0.187 0.268 25 R C -1.371 175.040 176.300 0.185 0.000 1.014 25 R CA -2.045 54.049 56.100 -0.009 0.000 0.946 25 R CB 4.329 34.623 30.300 -0.011 0.000 1.208 25 R HN 0.094 8.334 8.270 -0.049 0.000 0.477 26 C N 3.448 122.876 119.300 0.212 0.000 2.629 26 C HA 0.260 4.747 4.460 0.046 0.000 0.410 26 C C -0.179 174.883 174.990 0.120 0.000 1.339 26 C CA -3.013 56.108 59.018 0.172 0.000 1.810 26 C CB 0.461 28.391 27.740 0.317 0.000 2.549 26 C HN 0.114 8.536 8.230 0.189 -0.078 0.589 27 P HA -0.018 4.433 4.420 0.052 0.000 0.251 27 P C -1.767 175.585 177.300 0.086 0.000 1.251 27 P CA 1.167 64.305 63.100 0.062 0.000 0.763 27 P CB -0.515 31.203 31.700 0.031 0.000 1.067 28 A N -1.621 121.279 122.820 0.133 0.000 2.068 28 A HA 0.211 4.587 4.320 0.095 0.000 0.206 28 A C 0.558 178.215 177.584 0.122 0.000 1.822 28 A CA 1.079 53.194 52.037 0.130 0.000 0.899 28 A CB 0.875 19.975 19.000 0.166 0.000 1.251 28 A HN -0.402 7.711 8.150 0.170 0.140 0.599 29 C N -4.758 114.640 119.300 0.164 0.000 2.673 29 C HA 0.227 4.747 4.460 0.101 0.000 0.264 29 C C -0.120 174.925 174.990 0.092 0.000 1.304 29 C CA -1.050 58.046 59.018 0.130 0.000 1.727 29 C CB 0.712 28.557 27.740 0.175 0.000 1.932 29 C HN -0.363 8.008 8.230 0.235 0.000 0.563 30 R N -2.048 118.509 120.500 0.095 0.000 3.246 30 R HA -0.363 4.185 4.340 0.067 -0.168 0.260 30 R C -1.403 174.921 176.300 0.040 0.000 1.034 30 R CA 0.667 56.804 56.100 0.061 0.000 0.691 30 R CB -3.211 27.114 30.300 0.042 0.000 1.186 30 R HN 0.129 8.349 8.270 0.127 0.127 0.416 31 V N -5.008 114.926 119.914 0.035 0.000 2.617 31 V HA 0.479 4.596 4.120 -0.004 0.000 0.298 31 V C -1.767 174.343 176.094 0.026 0.000 1.048 31 V CA -4.625 57.668 62.300 -0.011 0.000 0.964 31 V CB 0.946 32.684 31.823 -0.141 0.000 1.004 31 V HN -0.519 7.709 8.190 0.062 0.000 0.466 32 P HA 0.083 4.473 4.420 -0.050 0.000 0.271 32 P C -1.887 175.463 177.300 0.083 0.000 1.233 32 P CA -0.283 62.816 63.100 -0.001 0.000 0.764 32 P CB -0.700 30.991 31.700 -0.015 0.000 0.825 33 Y N 1.794 122.107 120.300 0.021 0.000 2.401 33 Y HA 0.568 5.152 4.550 0.056 0.000 0.330 33 Y C -0.619 175.342 175.900 0.102 0.000 1.071 33 Y CA -2.590 55.550 58.100 0.068 0.000 1.049 33 Y CB 0.932 39.460 38.460 0.114 0.000 1.239 33 Y HN 0.069 8.247 8.280 -0.170 0.000 0.437 34 C N 4.595 124.031 119.300 0.228 0.000 2.581 34 C HA 0.041 4.569 4.460 -0.029 -0.085 0.287 34 C C -0.040 175.183 174.990 0.387 0.000 1.241 34 C CA 0.587 59.695 59.018 0.149 0.000 1.747 34 C CB -0.224 27.591 27.740 0.125 0.000 2.090 34 C HN 0.186 8.566 8.230 0.249 0.000 0.460 35 S N -1.166 114.823 115.700 0.482 0.000 2.798 35 S HA 0.159 4.962 4.470 0.555 0.000 0.312 35 S C 0.448 175.265 174.600 0.362 0.000 1.122 35 S CA -1.802 56.672 58.200 0.457 0.000 0.949 35 S CB 3.010 66.355 63.200 0.242 0.000 1.235 35 S HN -0.656 7.881 8.310 0.378 0.000 0.552 36 V N 3.435 123.447 119.914 0.163 0.000 2.332 36 V HA -0.344 3.697 4.120 -0.132 0.000 0.248 36 V C 1.626 177.771 176.094 0.085 0.000 1.055 36 V CA 3.493 65.815 62.300 0.038 0.000 1.038 36 V CB -0.923 30.928 31.823 0.048 0.000 0.651 36 V HN 0.571 8.860 8.190 0.165 0.000 0.450 37 V N 0.726 120.693 119.914 0.089 0.000 2.218 37 V HA -0.489 3.655 4.120 0.040 0.000 0.251 37 V C 2.300 178.434 176.094 0.067 0.000 1.057 37 V CA 4.123 66.462 62.300 0.066 0.000 1.022 37 V CB -1.139 30.726 31.823 0.070 0.000 0.645 37 V HN -0.062 8.179 8.190 0.101 0.008 0.451 38 C N -1.748 117.620 119.300 0.113 0.000 2.403 38 C HA -0.288 4.226 4.460 0.089 0.000 0.279 38 C C 2.335 177.400 174.990 0.124 0.000 1.269 38 C CA 3.555 62.648 59.018 0.124 0.000 1.774 38 C CB -1.881 25.968 27.740 0.182 0.000 1.993 38 C HN -0.009 8.306 8.230 0.141 0.000 0.496 39 F N 0.885 120.772 119.950 -0.106 0.000 2.325 39 F HA -0.377 4.109 4.527 -0.068 0.000 0.299 39 F C 0.780 176.552 175.800 -0.047 0.000 1.090 39 F CA 2.250 60.140 58.000 -0.184 0.000 1.392 39 F CB -0.206 38.395 39.000 -0.666 0.000 1.053 39 F HN -0.699 7.551 8.300 0.124 0.124 0.521 40 R N -0.446 119.932 120.500 -0.205 0.000 2.075 40 R HA -0.496 3.587 4.340 -0.429 0.000 0.230 40 R C 2.107 178.260 176.300 -0.244 0.000 1.140 40 R CA 4.268 60.205 56.100 -0.272 0.000 0.928 40 R CB -0.484 29.750 30.300 -0.108 0.000 0.834 40 R HN 0.359 8.457 8.270 -0.032 0.153 0.429 41 K N -4.047 116.286 120.400 -0.112 0.000 2.218 41 K HA -0.275 4.168 4.320 -0.088 -0.176 0.205 41 K C 2.298 178.850 176.600 -0.079 0.000 1.046 41 K CA 2.876 59.119 56.287 -0.074 0.000 0.933 41 K CB -0.343 32.147 32.500 -0.016 0.000 0.728 41 K HN -0.620 7.591 8.250 -0.065 0.000 0.454 42 H N 0.381 119.339 119.070 -0.187 0.000 2.266 42 H HA -0.125 4.376 4.556 -0.090 0.000 0.308 42 H C 1.795 176.971 175.328 -0.253 0.000 1.057 42 H CA 2.816 58.765 56.048 -0.165 0.000 1.330 42 H CB 0.210 29.918 29.762 -0.089 0.000 1.400 42 H HN -0.774 7.343 8.280 -0.037 0.140 0.503 43 K N 0.086 119.931 120.400 -0.924 0.000 2.148 43 K HA -0.452 3.281 4.320 -0.978 0.000 0.213 43 K C 2.963 179.251 176.600 -0.519 0.000 1.050 43 K CA 3.185 58.941 56.287 -0.885 0.000 0.932 43 K CB -0.605 31.333 32.500 -0.937 0.000 0.717 43 K HN 0.283 7.923 8.250 -0.844 0.104 0.462 44 E N -0.791 119.183 120.200 -0.378 0.000 2.086 44 E HA -0.315 3.914 4.350 -0.201 0.000 0.205 44 E C 1.956 178.435 176.600 -0.201 0.000 1.027 44 E CA 2.600 58.862 56.400 -0.230 0.000 0.830 44 E CB -0.046 29.556 29.700 -0.163 0.000 0.751 44 E HN -0.533 7.580 8.360 -0.386 0.016 0.456 45 Q N -4.883 114.786 119.800 -0.219 0.000 2.157 45 Q HA 0.205 4.471 4.340 -0.123 0.000 0.229 45 Q C -1.479 174.410 176.000 -0.186 0.000 0.827 45 Q CA -1.241 54.472 55.803 -0.150 0.000 1.055 45 Q CB 0.630 29.322 28.738 -0.078 0.000 1.157 45 Q HN 0.063 8.090 8.270 -0.255 0.089 0.482 46 C N 2.907 121.972 119.300 -0.391 0.000 2.638 46 C HA -0.238 4.000 4.460 -0.370 0.000 0.400 46 C C -0.589 174.344 174.990 -0.095 0.000 1.421 46 C CA 1.235 59.995 59.018 -0.430 0.000 1.492 46 C CB -1.896 25.419 27.740 -0.709 0.000 2.372 46 C HN -0.428 7.304 8.230 -0.466 0.219 0.618 47 N N 9.466 128.180 118.700 0.023 0.000 2.558 47 N HA 0.328 5.074 4.740 0.011 0.000 0.242 47 N C -1.737 173.816 175.510 0.072 0.000 0.979 47 N CA -3.211 49.860 53.050 0.035 0.000 0.931 47 N CB 1.411 39.915 38.487 0.027 0.000 1.122 47 N HN -0.036 8.393 8.380 0.082 0.000 0.508 48 P HA 0.083 4.561 4.420 0.096 0.000 0.282 48 P C -0.896 176.436 177.300 0.052 0.000 1.286 48 P CA -0.621 62.523 63.100 0.073 0.000 0.777 48 P CB 1.036 32.775 31.700 0.065 0.000 1.184 49 E N -0.552 119.676 120.200 0.047 0.000 2.161 49 E HA -0.144 4.227 4.350 0.035 0.000 0.263 49 E C -0.057 176.560 176.600 0.028 0.000 1.185 49 E CA 0.330 56.751 56.400 0.035 0.000 0.938 49 E CB -1.259 28.461 29.700 0.032 0.000 1.023 49 E HN 0.230 8.621 8.360 0.053 0.000 0.433 50 T N 1.348 115.917 114.554 0.024 0.000 2.937 50 T HA -0.151 4.210 4.350 0.018 0.000 0.316 50 T C 0.110 174.819 174.700 0.016 0.000 1.079 50 T CA -0.270 61.841 62.100 0.018 0.000 1.131 50 T CB 0.625 69.502 68.868 0.015 0.000 1.000 50 T HN -0.178 8.077 8.240 0.025 0.000 0.549 51 S N 3.907 119.615 115.700 0.014 0.000 2.558 51 S HA -0.158 4.320 4.470 0.013 0.000 0.288 51 S C 1.006 175.612 174.600 0.010 0.000 1.318 51 S CA 1.749 59.956 58.200 0.012 0.000 1.056 51 S CB 0.317 63.523 63.200 0.010 0.000 0.853 51 S HN -0.109 8.209 8.310 0.013 0.000 0.505 52 G N 3.327 112.133 108.800 0.010 0.000 2.631 52 G HA2 -0.072 3.892 3.960 0.008 0.000 0.504 52 G HA3 -0.072 3.893 3.960 0.008 0.000 0.504 52 G C -2.747 172.158 174.900 0.009 0.000 1.306 52 G CA -0.896 44.209 45.100 0.009 0.000 0.897 52 G HN -0.157 8.139 8.290 0.010 0.000 0.520 53 P HA 0.243 4.668 4.420 0.009 0.000 0.271 53 P C -1.019 176.287 177.300 0.009 0.000 1.233 53 P CA 0.045 63.150 63.100 0.009 0.000 0.764 53 P CB 0.148 31.852 31.700 0.007 0.000 0.825 54 S N 4.843 120.549 115.700 0.011 0.000 3.325 54 S HA 0.002 4.478 4.470 0.011 0.000 0.254 54 S C -0.268 174.338 174.600 0.011 0.000 1.084 54 S CA 0.090 58.297 58.200 0.012 0.000 0.786 54 S CB 0.998 64.207 63.200 0.015 0.000 0.849 54 S HN 0.460 8.776 8.310 0.011 0.000 0.483 55 S N 2.159 117.866 115.700 0.012 0.000 2.541 55 S HA 0.264 4.740 4.470 0.010 0.000 0.280 55 S C 0.114 174.719 174.600 0.009 0.000 1.112 55 S CA 0.156 58.362 58.200 0.011 0.000 0.925 55 S CB 1.406 64.614 63.200 0.013 0.000 1.067 55 S HN -0.239 8.079 8.310 0.012 0.000 0.479 56 G N 0.000 108.805 108.800 0.008 0.000 0.000 56 G HA2 0.000 nan 3.960 nan 0.000 0.000 56 G HA3 0.000 3.964 3.960 0.007 0.000 0.000 56 G CA 0.000 45.104 45.100 0.007 0.000 0.000 56 G HN 0.000 8.295 8.290 0.008 0.000 0.000