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 2cu3_1_B DATA FIRST_RESID 2 DATA SEQUENCE VWLNGEPRPL EGKTLKEVLE EXGVELKGVA VLLNEEAFLG LEVPDRPLRD DATA SEQUENCE GDVVEVVALX QGG 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.968 176.094 -0.210 0.000 1.182 2 V CA 0.000 62.216 62.300 -0.141 0.000 1.235 2 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 3 W N 5.151 126.456 121.300 0.008 0.000 2.332 3 W HA 0.711 5.371 4.660 -0.000 0.000 0.306 3 W C -0.246 176.280 176.519 0.011 0.000 1.149 3 W CA -0.347 57.003 57.345 0.009 0.000 1.271 3 W CB 1.284 30.750 29.460 0.009 0.000 1.243 3 W HN 0.440 nan 8.180 nan 0.000 0.459 4 L N 5.912 127.244 121.223 0.182 0.000 2.318 4 L HA 0.423 4.763 4.340 0.000 0.000 0.277 4 L C 0.034 176.975 176.870 0.117 0.000 1.008 4 L CA -0.404 54.507 54.840 0.119 0.000 0.846 4 L CB 0.313 42.405 42.059 0.055 0.000 1.220 4 L HN 0.545 nan 8.230 nan 0.000 0.423 5 N N 4.157 122.925 118.700 0.114 0.000 2.754 5 N HA -0.195 4.545 4.740 0.000 0.000 0.248 5 N C 0.931 176.508 175.510 0.112 0.000 1.093 5 N CA 1.416 54.521 53.050 0.091 0.000 0.699 5 N CB -1.280 37.246 38.487 0.065 0.000 1.016 5 N HN 1.189 nan 8.380 nan 0.000 0.552 6 G N -1.914 106.989 108.800 0.171 0.000 2.217 6 G HA2 -0.287 3.673 3.960 0.000 0.000 0.246 6 G HA3 -0.287 3.673 3.960 0.000 0.000 0.246 6 G C -0.336 174.775 174.900 0.352 0.000 0.990 6 G CA 0.433 45.652 45.100 0.198 0.000 0.627 6 G HN 0.407 nan 8.290 nan 0.000 0.522 7 E N 1.397 121.763 120.200 0.276 0.000 2.179 7 E HA 0.470 4.821 4.350 0.000 0.000 0.275 7 E C -2.699 173.923 176.600 0.037 0.000 0.945 7 E CA -1.967 54.544 56.400 0.186 0.000 0.792 7 E CB 2.390 32.138 29.700 0.081 0.000 1.125 7 E HN 0.194 nan 8.360 nan 0.000 0.397 8 P HA 0.254 nan 4.420 nan 0.000 0.282 8 P C -0.488 176.615 177.300 -0.327 0.000 1.262 8 P CA -0.302 62.416 63.100 -0.637 0.000 0.773 8 P CB 0.908 32.069 31.700 -0.898 0.000 0.879 9 R N 3.686 124.009 120.500 -0.296 0.000 2.626 9 R HA 0.348 4.688 4.340 0.000 0.000 0.274 9 R C -2.705 173.501 176.300 -0.156 0.000 1.031 9 R CA -2.004 53.993 56.100 -0.172 0.000 0.898 9 R CB 2.104 32.344 30.300 -0.100 0.000 1.222 9 R HN 0.277 nan 8.270 nan 0.000 0.455 10 P HA 0.167 nan 4.420 nan 0.000 0.230 10 P C 0.262 177.523 177.300 -0.065 0.000 1.791 10 P CA 0.064 63.109 63.100 -0.091 0.000 1.020 10 P CB -0.115 31.541 31.700 -0.073 0.000 1.977 11 L N -0.353 120.832 121.223 -0.063 0.000 2.628 11 L HA 0.183 4.523 4.340 0.000 0.000 0.229 11 L C 0.727 177.578 176.870 -0.032 0.000 1.137 11 L CA -0.179 54.637 54.840 -0.041 0.000 0.909 11 L CB -0.340 41.700 42.059 -0.033 0.000 1.137 11 L HN 0.078 nan 8.230 nan 0.000 0.470 12 E N 0.851 121.029 120.200 -0.036 0.000 2.529 12 E HA 0.202 4.552 4.350 0.000 0.000 0.259 12 E C 1.175 177.762 176.600 -0.021 0.000 0.966 12 E CA 1.284 57.669 56.400 -0.025 0.000 0.937 12 E CB 0.371 30.055 29.700 -0.027 0.000 0.923 12 E HN 0.317 nan 8.360 nan 0.000 0.468 13 G N 2.988 111.777 108.800 -0.017 0.000 2.254 13 G HA2 -0.291 3.669 3.960 0.000 0.000 0.225 13 G HA3 -0.291 3.669 3.960 0.000 0.000 0.225 13 G C 0.124 175.013 174.900 -0.017 0.000 1.003 13 G CA -0.068 45.022 45.100 -0.016 0.000 0.622 13 G HN 0.427 nan 8.290 nan 0.000 0.507 14 K N 1.773 122.161 120.400 -0.019 0.000 2.185 14 K HA 0.532 4.852 4.320 0.000 0.000 0.271 14 K C 0.873 177.460 176.600 -0.021 0.000 1.013 14 K CA 0.327 56.602 56.287 -0.019 0.000 0.943 14 K CB 1.018 33.507 32.500 -0.018 0.000 0.998 14 K HN 0.383 nan 8.250 nan 0.000 0.468 15 T N -1.149 113.391 114.554 -0.024 0.000 2.902 15 T HA 0.227 4.577 4.350 0.000 0.000 0.280 15 T C 1.484 176.165 174.700 -0.031 0.000 0.992 15 T CA -0.773 61.308 62.100 -0.032 0.000 1.015 15 T CB 0.593 69.439 68.868 -0.036 0.000 1.044 15 T HN 0.459 nan 8.240 nan 0.000 0.520 16 L N 0.202 121.400 121.223 -0.042 0.000 2.046 16 L HA -0.079 4.262 4.340 0.000 0.000 0.208 16 L C 2.852 179.707 176.870 -0.025 0.000 1.077 16 L CA 1.289 56.109 54.840 -0.033 0.000 0.747 16 L CB -0.626 41.401 42.059 -0.053 0.000 0.896 16 L HN 0.672 nan 8.230 nan 0.000 0.432 17 K N 0.666 121.046 120.400 -0.033 0.000 2.049 17 K HA -0.264 4.056 4.320 0.000 0.000 0.219 17 K C 1.944 178.535 176.600 -0.015 0.000 1.056 17 K CA 1.916 58.189 56.287 -0.023 0.000 0.946 17 K CB -0.324 32.159 32.500 -0.028 0.000 0.723 17 K HN 0.319 nan 8.250 nan 0.000 0.453 18 E N -0.684 119.506 120.200 -0.017 0.000 2.077 18 E HA -0.146 4.204 4.350 0.000 0.000 0.193 18 E C 1.954 178.548 176.600 -0.010 0.000 0.989 18 E CA 1.315 57.707 56.400 -0.013 0.000 0.800 18 E CB -0.001 29.689 29.700 -0.015 0.000 0.746 18 E HN 0.042 nan 8.360 nan 0.000 0.452 19 V N 1.449 121.358 119.914 -0.009 0.000 2.358 19 V HA -0.245 3.875 4.120 0.000 0.000 0.246 19 V C 2.296 178.391 176.094 0.000 0.000 1.047 19 V CA 1.382 63.680 62.300 -0.005 0.000 1.035 19 V CB -0.410 31.412 31.823 -0.002 0.000 0.658 19 V HN 0.279 nan 8.190 nan 0.000 0.452 20 L N -0.337 120.887 121.223 0.001 0.000 2.083 20 L HA -0.213 4.128 4.340 0.000 0.000 0.209 20 L C 2.536 179.408 176.870 0.003 0.000 1.083 20 L CA 1.720 56.564 54.840 0.006 0.000 0.752 20 L CB -0.585 41.478 42.059 0.007 0.000 0.899 20 L HN 0.399 nan 8.230 nan 0.000 0.433 21 E N -0.401 119.798 120.200 -0.001 0.000 2.208 21 E HA -0.084 4.266 4.350 0.000 0.000 0.193 21 E C 0.691 177.290 176.600 -0.001 0.000 0.988 21 E CA 0.307 56.706 56.400 -0.001 0.000 0.828 21 E CB 0.186 29.884 29.700 -0.004 0.000 0.763 21 E HN 0.515 nan 8.360 nan 0.000 0.478 25 V N -2.487 117.432 119.914 0.008 0.000 2.837 25 V HA 0.726 4.846 4.120 0.000 0.000 0.310 25 V C 0.120 176.221 176.094 0.010 0.000 1.059 25 V CA -1.165 61.141 62.300 0.010 0.000 1.004 25 V CB 2.066 33.897 31.823 0.014 0.000 1.045 25 V HN 0.206 nan 8.190 nan 0.000 0.465 26 E N 1.862 122.069 120.200 0.011 0.000 2.166 26 E HA 0.256 4.606 4.350 0.000 0.000 0.279 26 E C 0.871 177.479 176.600 0.014 0.000 1.095 26 E CA -0.150 56.257 56.400 0.011 0.000 0.888 26 E CB 0.985 30.691 29.700 0.010 0.000 1.041 26 E HN 0.766 nan 8.360 nan 0.000 0.414 27 L N 4.085 125.316 121.223 0.013 0.000 2.021 27 L HA -0.281 4.059 4.340 0.000 0.000 0.215 27 L C 2.014 178.897 176.870 0.021 0.000 1.074 27 L CA 1.632 56.482 54.840 0.017 0.000 0.760 27 L CB -0.303 41.763 42.059 0.013 0.000 0.889 27 L HN 0.534 nan 8.230 nan 0.000 0.433 28 K N -0.527 119.883 120.400 0.017 0.000 2.365 28 K HA -0.040 4.280 4.320 0.000 0.000 0.199 28 K C 1.731 178.342 176.600 0.018 0.000 1.045 28 K CA 0.812 57.110 56.287 0.018 0.000 0.962 28 K CB -0.132 32.377 32.500 0.014 0.000 0.759 28 K HN 0.363 nan 8.250 nan 0.000 0.469 29 G N 1.040 109.851 108.800 0.017 0.000 3.042 29 G HA2 0.112 4.072 3.960 0.000 0.000 0.212 29 G HA3 0.112 4.072 3.960 0.000 0.000 0.212 29 G C 0.245 175.156 174.900 0.019 0.000 1.166 29 G CA 0.040 45.149 45.100 0.016 0.000 0.767 29 G HN 0.137 nan 8.290 nan 0.000 0.546 30 V N -3.868 116.061 119.914 0.024 0.000 3.102 30 V HA 0.946 5.066 4.120 0.000 0.000 0.312 30 V C -0.648 175.469 176.094 0.038 0.000 1.135 30 V CA -1.198 61.119 62.300 0.029 0.000 1.022 30 V CB 1.592 33.433 31.823 0.030 0.000 1.056 30 V HN 0.356 nan 8.190 nan 0.000 0.436 31 A N 1.304 124.149 122.820 0.040 0.000 2.374 31 A HA 0.934 5.254 4.320 0.000 0.000 0.317 31 A C -0.911 176.714 177.584 0.067 0.000 1.094 31 A CA -0.739 51.328 52.037 0.051 0.000 0.765 31 A CB 1.901 20.918 19.000 0.029 0.000 1.268 31 A HN 1.475 nan 8.150 nan 0.000 0.438 32 V N 2.286 122.264 119.914 0.108 0.000 2.531 32 V HA 0.390 4.510 4.120 0.000 0.000 0.301 32 V C -1.044 175.154 176.094 0.173 0.000 1.034 32 V CA -0.322 62.058 62.300 0.133 0.000 0.865 32 V CB 1.513 33.425 31.823 0.148 0.000 0.995 32 V HN 0.723 nan 8.190 nan 0.000 0.424 33 L N 5.506 126.803 121.223 0.124 0.000 2.283 33 L HA 0.472 4.812 4.340 0.000 0.000 0.281 33 L C -0.466 176.491 176.870 0.144 0.000 1.033 33 L CA -0.070 54.834 54.840 0.107 0.000 0.848 33 L CB 1.250 43.339 42.059 0.049 0.000 1.226 33 L HN 0.527 nan 8.230 nan 0.000 0.429 34 L N 5.021 126.387 121.223 0.239 0.000 2.268 34 L HA 0.419 4.759 4.340 0.000 0.000 0.289 34 L C 0.251 177.216 176.870 0.158 0.000 1.064 34 L CA 0.263 55.227 54.840 0.207 0.000 0.824 34 L CB -0.275 41.941 42.059 0.261 0.000 1.202 34 L HN 0.579 nan 8.230 nan 0.000 0.433 35 N N 4.522 123.284 118.700 0.104 0.000 2.714 35 N HA -0.265 4.475 4.740 0.000 0.000 0.253 35 N C 0.539 176.078 175.510 0.049 0.000 1.024 35 N CA 1.240 54.333 53.050 0.071 0.000 0.726 35 N CB -0.798 37.734 38.487 0.075 0.000 0.908 35 N HN 0.921 nan 8.380 nan 0.000 0.542 36 E N -2.215 118.006 120.200 0.034 0.000 3.916 36 E HA -0.282 4.068 4.350 0.000 0.000 0.331 36 E C -0.085 176.500 176.600 -0.024 0.000 0.729 36 E CA 1.503 57.904 56.400 0.002 0.000 1.222 36 E CB -0.580 29.117 29.700 -0.005 0.000 1.633 36 E HN 0.711 nan 8.360 nan 0.000 0.437 37 E N 0.223 120.420 120.200 -0.005 0.000 2.197 37 E HA 0.546 4.897 4.350 0.000 0.000 0.281 37 E C -0.686 175.751 176.600 -0.272 0.000 0.995 37 E CA 0.170 56.498 56.400 -0.121 0.000 0.808 37 E CB 1.052 30.744 29.700 -0.015 0.000 1.093 37 E HN 0.250 nan 8.360 nan 0.000 0.394 38 A N 4.363 126.899 122.820 -0.473 0.000 2.301 38 A HA 0.625 4.945 4.320 0.000 0.000 0.312 38 A C -1.280 175.821 177.584 -0.805 0.000 1.182 38 A CA -0.396 51.400 52.037 -0.402 0.000 0.826 38 A CB 0.256 19.125 19.000 -0.218 0.000 1.134 38 A HN 0.566 nan 8.150 nan 0.000 0.501 39 F N 1.048 121.002 119.950 0.007 0.000 2.578 39 F HA 0.420 4.948 4.527 0.000 0.000 0.311 39 F C 0.143 175.947 175.800 0.007 0.000 1.094 39 F CA -0.591 57.413 58.000 0.007 0.000 0.923 39 F CB 1.652 40.657 39.000 0.008 0.000 1.230 39 F HN 0.417 nan 8.300 nan 0.000 0.450 40 L N 2.092 123.418 121.223 0.173 0.000 2.483 40 L HA 0.144 4.484 4.340 0.000 0.000 0.275 40 L C 1.656 178.596 176.870 0.117 0.000 1.220 40 L CA 0.408 55.314 54.840 0.110 0.000 0.833 40 L CB 0.612 42.716 42.059 0.076 0.000 1.102 40 L HN 1.003 nan 8.230 nan 0.000 0.490 41 G N 2.846 111.691 108.800 0.075 0.000 2.513 41 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 41 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 41 G C 1.287 176.212 174.900 0.043 0.000 1.160 41 G CA 0.640 45.774 45.100 0.057 0.000 0.767 41 G HN 0.587 nan 8.290 nan 0.000 0.571 42 L N 0.012 121.259 121.223 0.040 0.000 2.376 42 L HA 0.099 4.440 4.340 0.000 0.000 0.219 42 L C 1.563 178.448 176.870 0.025 0.000 1.133 42 L CA 0.581 55.436 54.840 0.025 0.000 0.816 42 L CB 0.017 42.091 42.059 0.024 0.000 0.933 42 L HN 0.311 nan 8.230 nan 0.000 0.449 43 E N 0.220 120.452 120.200 0.053 0.000 2.651 43 E HA 0.117 4.467 4.350 0.000 0.000 0.213 43 E C -0.239 176.372 176.600 0.018 0.000 1.028 43 E CA -0.260 56.176 56.400 0.060 0.000 1.183 43 E CB 0.641 30.412 29.700 0.118 0.000 1.188 43 E HN 0.173 nan 8.360 nan 0.000 0.444 44 V N -1.314 118.557 119.914 -0.073 0.000 2.881 44 V HA 0.333 4.454 4.120 0.000 0.000 0.303 44 V C -2.224 173.637 176.094 -0.389 0.000 1.070 44 V CA -2.136 59.988 62.300 -0.293 0.000 1.074 44 V CB 0.156 31.889 31.823 -0.151 0.000 1.012 44 V HN -0.043 nan 8.190 nan 0.000 0.482 45 P HA 0.187 nan 4.420 nan 0.000 0.270 45 P C -0.374 176.797 177.300 -0.215 0.000 1.223 45 P CA 0.126 62.992 63.100 -0.390 0.000 0.785 45 P CB 0.319 31.762 31.700 -0.428 0.000 0.923 46 D N -1.004 119.315 120.400 -0.136 0.000 2.369 46 D HA 0.013 4.654 4.640 0.000 0.000 0.211 46 D C 0.341 176.600 176.300 -0.068 0.000 1.077 46 D CA -0.232 53.715 54.000 -0.088 0.000 0.842 46 D CB -0.380 40.383 40.800 -0.062 0.000 0.947 46 D HN 0.299 nan 8.370 nan 0.000 0.509 47 R N 1.248 121.704 120.500 -0.073 0.000 2.590 47 R HA 0.273 4.613 4.340 0.000 0.000 0.274 47 R C -2.159 174.117 176.300 -0.041 0.000 1.061 47 R CA -1.228 54.843 56.100 -0.048 0.000 1.081 47 R CB -0.358 29.918 30.300 -0.041 0.000 0.984 47 R HN -0.058 nan 8.270 nan 0.000 0.448 48 P HA 0.002 nan 4.420 nan 0.000 0.271 48 P C -0.345 176.945 177.300 -0.017 0.000 1.216 48 P CA -0.139 62.948 63.100 -0.022 0.000 0.776 48 P CB 0.681 32.371 31.700 -0.017 0.000 0.881 49 L N 3.085 124.300 121.223 -0.014 0.000 2.467 49 L HA 0.264 4.604 4.340 0.000 0.000 0.270 49 L C 1.516 178.385 176.870 -0.001 0.000 1.205 49 L CA 0.081 54.919 54.840 -0.004 0.000 0.828 49 L CB 0.009 42.066 42.059 -0.003 0.000 1.101 49 L HN 0.510 nan 8.230 nan 0.000 0.479 50 R N 0.009 120.514 120.500 0.010 0.000 2.836 50 R HA 0.396 4.737 4.340 0.000 0.000 0.269 50 R C -1.246 175.066 176.300 0.020 0.000 1.010 50 R CA -1.051 55.056 56.100 0.011 0.000 0.930 50 R CB 1.177 31.486 30.300 0.014 0.000 1.218 50 R HN 0.478 nan 8.270 nan 0.000 0.473 51 D N -0.108 120.301 120.400 0.015 0.000 2.531 51 D HA 0.187 4.827 4.640 0.000 0.000 0.239 51 D C 1.111 177.449 176.300 0.063 0.000 1.144 51 D CA 2.491 56.505 54.000 0.022 0.000 0.869 51 D CB 0.345 41.154 40.800 0.015 0.000 1.160 51 D HN 0.783 nan 8.370 nan 0.000 0.484 52 G N 3.251 112.117 108.800 0.109 0.000 2.232 52 G HA2 -0.242 3.718 3.960 0.000 0.000 0.226 52 G HA3 -0.242 3.718 3.960 0.000 0.000 0.226 52 G C 0.093 175.111 174.900 0.197 0.000 0.996 52 G CA 0.023 45.231 45.100 0.180 0.000 0.626 52 G HN 0.652 nan 8.290 nan 0.000 0.509 53 D N 0.579 121.067 120.400 0.146 0.000 2.455 53 D HA 0.408 5.048 4.640 0.000 0.000 0.241 53 D C 0.373 176.796 176.300 0.204 0.000 1.138 53 D CA 0.443 54.523 54.000 0.134 0.000 0.877 53 D CB 1.675 42.527 40.800 0.087 0.000 1.187 53 D HN 0.185 nan 8.370 nan 0.000 0.451 54 V N 3.381 123.392 119.914 0.162 0.000 2.357 54 V HA 0.261 4.381 4.120 0.000 0.000 0.284 54 V C 0.134 176.307 176.094 0.132 0.000 1.018 54 V CA -0.700 61.703 62.300 0.173 0.000 0.841 54 V CB 1.765 33.635 31.823 0.079 0.000 0.991 54 V HN 0.218 nan 8.190 nan 0.000 0.437 55 V N 4.604 124.604 119.914 0.144 0.000 2.495 55 V HA 0.616 4.736 4.120 0.000 0.000 0.298 55 V C -0.395 175.758 176.094 0.098 0.000 1.031 55 V CA -0.651 61.715 62.300 0.109 0.000 0.871 55 V CB 2.046 33.924 31.823 0.091 0.000 0.988 55 V HN 0.783 nan 8.190 nan 0.000 0.432 56 E N 3.109 123.358 120.200 0.082 0.000 2.224 56 E HA 0.549 4.900 4.350 0.000 0.000 0.265 56 E C -1.430 175.207 176.600 0.062 0.000 0.878 56 E CA -0.505 55.935 56.400 0.066 0.000 0.759 56 E CB 2.663 32.394 29.700 0.050 0.000 1.164 56 E HN 0.382 nan 8.360 nan 0.000 0.414 57 V N 2.926 122.872 119.914 0.053 0.000 2.409 57 V HA 0.413 4.533 4.120 0.000 0.000 0.291 57 V C -0.109 176.007 176.094 0.037 0.000 1.020 57 V CA -0.891 61.437 62.300 0.047 0.000 0.848 57 V CB 1.631 33.479 31.823 0.042 0.000 0.990 57 V HN 0.483 nan 8.190 nan 0.000 0.430 58 V N 2.239 122.173 119.914 0.034 0.000 2.656 58 V HA 0.971 5.091 4.120 0.000 0.000 0.307 58 V C 0.182 176.290 176.094 0.022 0.000 1.051 58 V CA -0.978 61.337 62.300 0.025 0.000 0.893 58 V CB 1.608 33.444 31.823 0.020 0.000 0.999 58 V HN 0.974 nan 8.190 nan 0.000 0.426 59 A N 5.260 128.091 122.820 0.019 0.000 2.409 59 A HA 0.712 5.032 4.320 0.000 0.000 0.262 59 A C 0.072 177.664 177.584 0.013 0.000 1.113 59 A CA -0.400 51.646 52.037 0.016 0.000 0.790 59 A CB 0.081 19.090 19.000 0.014 0.000 1.046 59 A HN 0.973 nan 8.150 nan 0.000 0.496 63 G N 0.947 109.748 108.800 0.001 0.000 2.391 63 G HA2 0.641 4.601 3.960 0.000 0.000 0.305 63 G HA3 0.641 4.601 3.960 0.000 0.000 0.305 63 G C 0.298 175.199 174.900 0.001 0.000 1.072 63 G CA 0.571 45.671 45.100 0.001 0.000 1.016 63 G HN 0.707 nan 8.290 nan 0.000 0.418 64 G N 0.000 108.800 108.800 0.001 0.000 5.446 64 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 64 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 64 G CA 0.000 45.100 45.100 0.001 0.000 0.502 64 G HN 0.000 nan 8.290 nan 0.000 0.925