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 2x7l_1_Q DATA FIRST_RESID 9 DATA SEQUENCE DEDLLKAVRL IKFLYQSNPP PNPEGTRQAR RNRRRRWRER QRQIHSISER DATA SEQUENCE ILSTYLG 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.305 176.300 0.008 0.000 2.045 9 D CA 0.000 54.013 54.000 0.022 0.000 0.868 9 D CB 0.000 40.833 40.800 0.055 0.000 0.688 10 E N 1.676 121.883 120.200 0.012 0.000 2.095 10 E HA -0.261 4.089 4.350 0.000 0.000 0.212 10 E C 0.878 177.477 176.600 -0.001 0.000 1.044 10 E CA 2.072 58.475 56.400 0.005 0.000 0.857 10 E CB -0.138 29.570 29.700 0.013 0.000 0.764 10 E HN 0.547 nan 8.360 nan 0.000 0.462 11 D N -0.165 120.256 120.400 0.036 0.000 2.106 11 D HA -0.158 4.482 4.640 0.000 0.000 0.191 11 D C 1.781 178.028 176.300 -0.090 0.000 0.997 11 D CA 0.884 54.926 54.000 0.070 0.000 0.834 11 D CB -0.292 40.647 40.800 0.233 0.000 0.956 11 D HN 0.063 nan 8.370 nan 0.000 0.448 12 L N 0.342 121.441 121.223 -0.207 0.000 2.012 12 L HA -0.126 4.214 4.340 0.000 0.000 0.210 12 L C 1.978 178.661 176.870 -0.310 0.000 1.073 12 L CA 1.511 56.028 54.840 -0.538 0.000 0.748 12 L CB -0.663 41.190 42.059 -0.344 0.000 0.891 12 L HN 0.100 nan 8.230 nan 0.000 0.431 13 L N -0.446 120.684 121.223 -0.155 0.000 2.013 13 L HA -0.277 4.063 4.340 0.000 0.000 0.212 13 L C 2.691 179.509 176.870 -0.086 0.000 1.073 13 L CA 1.895 56.677 54.840 -0.096 0.000 0.753 13 L CB -0.819 41.207 42.059 -0.055 0.000 0.890 13 L HN 0.279 nan 8.230 nan 0.000 0.432 14 K N -0.032 120.322 120.400 -0.076 0.000 2.057 14 K HA -0.193 4.127 4.320 0.000 0.000 0.207 14 K C 2.171 178.741 176.600 -0.051 0.000 1.049 14 K CA 1.356 57.615 56.287 -0.047 0.000 0.931 14 K CB -0.110 32.377 32.500 -0.023 0.000 0.714 14 K HN 0.323 nan 8.250 nan 0.000 0.440 15 A N 0.517 123.270 122.820 -0.111 0.000 1.898 15 A HA -0.109 4.211 4.320 0.000 0.000 0.216 15 A C 2.217 179.756 177.584 -0.076 0.000 1.181 15 A CA 1.536 53.507 52.037 -0.109 0.000 0.620 15 A CB -0.533 18.286 19.000 -0.301 0.000 0.819 15 A HN 0.142 nan 8.150 nan 0.000 0.442 16 V N -0.083 119.766 119.914 -0.108 0.000 2.307 16 V HA -0.248 3.872 4.120 0.000 0.000 0.245 16 V C 2.554 178.653 176.094 0.008 0.000 1.045 16 V CA 2.126 64.397 62.300 -0.049 0.000 1.024 16 V CB -0.910 30.871 31.823 -0.070 0.000 0.651 16 V HN 0.503 nan 8.190 nan 0.000 0.449 17 R N -0.372 120.128 120.500 -0.000 0.000 2.117 17 R HA -0.202 4.138 4.340 0.000 0.000 0.243 17 R C 2.250 178.598 176.300 0.081 0.000 1.143 17 R CA 1.787 57.904 56.100 0.029 0.000 0.968 17 R CB -0.544 29.756 30.300 0.000 0.000 0.863 17 R HN 0.437 nan 8.270 nan 0.000 0.444 18 L N 0.705 121.972 121.223 0.073 0.000 2.044 18 L HA -0.071 4.269 4.340 0.000 0.000 0.205 18 L C 1.932 178.896 176.870 0.156 0.000 1.075 18 L CA 1.573 56.492 54.840 0.132 0.000 0.747 18 L CB -0.234 41.876 42.059 0.085 0.000 0.903 18 L HN 0.080 nan 8.230 nan 0.000 0.435 19 I N -0.373 120.255 120.570 0.097 0.000 2.208 19 I HA -0.301 3.869 4.170 0.000 0.000 0.245 19 I C 2.602 178.829 176.117 0.184 0.000 1.097 19 I CA 1.317 62.670 61.300 0.090 0.000 1.363 19 I CB -0.421 37.633 38.000 0.089 0.000 1.051 19 I HN 0.280 nan 8.210 nan 0.000 0.413 20 K N 0.314 120.833 120.400 0.199 0.000 2.032 20 K HA -0.251 4.069 4.320 0.000 0.000 0.209 20 K C 2.234 178.975 176.600 0.235 0.000 1.048 20 K CA 1.876 58.295 56.287 0.220 0.000 0.927 20 K CB -0.381 32.203 32.500 0.141 0.000 0.712 20 K HN 0.183 nan 8.250 nan 0.000 0.441 21 F N 1.720 121.713 119.950 0.071 0.000 2.161 21 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 21 F C 1.845 177.670 175.800 0.042 0.000 1.089 21 F CA 1.191 59.221 58.000 0.051 0.000 1.282 21 F CB -0.294 38.721 39.000 0.025 0.000 1.010 21 F HN -0.041 nan 8.300 nan 0.000 0.485 22 L N -1.346 119.784 121.223 -0.156 0.000 2.275 22 L HA -0.209 4.131 4.340 0.000 0.000 0.215 22 L C 1.914 178.608 176.870 -0.293 0.000 1.119 22 L CA 1.013 55.663 54.840 -0.317 0.000 0.790 22 L CB -0.635 41.269 42.059 -0.259 0.000 0.919 22 L HN 0.121 nan 8.230 nan 0.000 0.443 23 Y N -0.822 119.420 120.300 -0.097 0.000 2.347 23 Y HA -0.107 4.443 4.550 0.000 0.000 0.294 23 Y C 2.612 178.510 175.900 -0.003 0.000 1.117 23 Y CA 0.760 58.840 58.100 -0.034 0.000 1.184 23 Y CB -0.141 38.320 38.460 0.002 0.000 1.047 23 Y HN 0.138 nan 8.280 nan 0.000 0.546 24 Q N -0.225 119.641 119.800 0.111 0.000 2.084 24 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 24 Q C 0.683 176.672 176.000 -0.017 0.000 0.978 24 Q CA 1.049 56.894 55.803 0.068 0.000 0.844 24 Q CB -0.132 28.669 28.738 0.103 0.000 0.898 24 Q HN 0.217 nan 8.270 nan 0.000 0.426 25 S N 1.165 116.732 115.700 -0.220 0.000 2.603 25 S HA 0.095 4.565 4.470 0.000 0.000 0.268 25 S C -0.096 174.460 174.600 -0.073 0.000 1.317 25 S CA -0.448 57.607 58.200 -0.242 0.000 1.012 25 S CB 0.499 63.371 63.200 -0.546 0.000 0.926 25 S HN 0.466 nan 8.310 nan 0.000 0.539 26 N N -0.313 118.394 118.700 0.012 0.000 2.708 26 N HA -0.133 4.607 4.740 0.000 0.000 0.255 26 N C -2.865 172.920 175.510 0.457 0.000 1.046 26 N CA 0.280 53.423 53.050 0.155 0.000 0.715 26 N CB -1.371 37.115 38.487 -0.001 0.000 0.895 26 N HN 0.361 nan 8.380 nan 0.000 0.545 27 P HA 0.407 nan 4.420 nan 0.000 0.317 27 P C -2.477 174.792 177.300 -0.052 0.000 1.307 27 P CA -1.161 62.115 63.100 0.293 0.000 0.749 27 P CB 0.014 31.778 31.700 0.107 0.000 1.377 28 P HA 0.018 nan 4.420 nan 0.000 0.267 28 P C -1.683 175.315 177.300 -0.504 0.000 1.201 28 P CA -0.387 62.231 63.100 -0.804 0.000 0.775 28 P CB -1.018 30.395 31.700 -0.479 0.000 0.854 29 P HA -0.146 nan 4.420 nan 0.000 0.209 29 P C 0.780 178.004 177.300 -0.128 0.000 1.053 29 P CA 1.318 64.287 63.100 -0.219 0.000 0.855 29 P CB 0.056 31.659 31.700 -0.162 0.000 0.566 30 N N -0.983 117.659 118.700 -0.095 0.000 2.765 30 N HA 0.150 4.890 4.740 0.000 0.000 0.230 30 N C -1.461 174.011 175.510 -0.063 0.000 1.022 30 N CA 0.175 53.188 53.050 -0.063 0.000 1.106 30 N CB -1.683 36.782 38.487 -0.038 0.000 1.527 30 N HN 0.370 nan 8.380 nan 0.000 0.507 31 P HA 0.448 nan 4.420 nan 0.000 0.292 31 P C -1.208 176.071 177.300 -0.036 0.000 1.283 31 P CA 0.025 63.092 63.100 -0.055 0.000 0.835 31 P CB 1.892 33.557 31.700 -0.059 0.000 1.017 32 E N -0.029 120.154 120.200 -0.029 0.000 2.224 32 E HA 0.545 4.895 4.350 0.000 0.000 0.265 32 E C -0.396 176.195 176.600 -0.014 0.000 0.878 32 E CA -0.824 55.565 56.400 -0.018 0.000 0.759 32 E CB 2.007 31.699 29.700 -0.014 0.000 1.164 32 E HN 0.622 nan 8.360 nan 0.000 0.414 33 G N 1.675 110.468 108.800 -0.011 0.000 2.338 33 G HA2 0.545 4.505 3.960 0.000 0.000 0.298 33 G HA3 0.545 4.505 3.960 0.000 0.000 0.298 33 G C -0.603 174.294 174.900 -0.005 0.000 1.140 33 G CA -0.222 44.873 45.100 -0.008 0.000 0.860 33 G HN 0.409 nan 8.290 nan 0.000 0.470 34 T N -0.371 114.182 114.554 -0.003 0.000 3.579 34 T HA 0.317 4.667 4.350 0.000 0.000 0.360 34 T C -0.296 174.405 174.700 0.001 0.000 1.285 34 T CA -1.089 61.011 62.100 -0.001 0.000 1.127 34 T CB 1.089 69.957 68.868 0.001 0.000 1.244 34 T HN 0.649 nan 8.240 nan 0.000 0.476 35 R N 2.440 122.940 120.500 0.001 0.000 2.501 35 R HA 0.030 4.370 4.340 0.000 0.000 0.319 35 R C 0.949 177.251 176.300 0.003 0.000 0.913 35 R CA 0.631 56.732 56.100 0.002 0.000 1.104 35 R CB -0.163 30.138 30.300 0.001 0.000 0.901 35 R HN 0.892 nan 8.270 nan 0.000 0.407 36 Q N 0.400 120.203 119.800 0.004 0.000 2.151 36 Q HA -0.357 3.983 4.340 0.000 0.000 0.161 36 Q C 1.159 177.163 176.000 0.008 0.000 0.610 36 Q CA 1.752 57.558 55.803 0.006 0.000 1.451 36 Q CB -1.041 27.701 28.738 0.006 0.000 1.538 36 Q HN 0.852 nan 8.270 nan 0.000 0.864 37 A N 0.337 123.161 122.820 0.007 0.000 2.072 37 A HA -0.032 4.288 4.320 0.000 0.000 0.216 37 A C 1.716 179.305 177.584 0.009 0.000 1.156 37 A CA 1.095 53.137 52.037 0.009 0.000 0.701 37 A CB -0.247 18.757 19.000 0.007 0.000 0.816 37 A HN 0.346 nan 8.150 nan 0.000 0.458 38 R N -0.249 120.254 120.500 0.006 0.000 2.062 38 R HA -0.069 4.271 4.340 0.000 0.000 0.229 38 R C 1.962 178.268 176.300 0.009 0.000 1.128 38 R CA 1.373 57.475 56.100 0.003 0.000 0.960 38 R CB -0.145 30.154 30.300 -0.002 0.000 0.855 38 R HN 0.370 nan 8.270 nan 0.000 0.432 39 R N 0.229 120.737 120.500 0.012 0.000 2.280 39 R HA -0.036 4.304 4.340 0.000 0.000 0.207 39 R C 1.788 178.105 176.300 0.027 0.000 1.043 39 R CA 1.149 57.261 56.100 0.019 0.000 1.006 39 R CB -0.428 29.881 30.300 0.016 0.000 0.885 39 R HN 0.364 nan 8.270 nan 0.000 0.467 40 N N 0.968 119.683 118.700 0.024 0.000 2.120 40 N HA -0.150 4.590 4.740 0.000 0.000 0.188 40 N C 1.408 176.944 175.510 0.043 0.000 1.024 40 N CA 1.281 54.349 53.050 0.028 0.000 0.852 40 N CB 0.143 38.643 38.487 0.022 0.000 1.003 40 N HN 0.051 nan 8.380 nan 0.000 0.424 41 R N -0.265 120.263 120.500 0.047 0.000 2.193 41 R HA 0.165 4.505 4.340 0.000 0.000 0.213 41 R C 2.183 178.553 176.300 0.118 0.000 1.055 41 R CA 0.504 56.649 56.100 0.075 0.000 0.995 41 R CB 0.041 30.375 30.300 0.056 0.000 0.893 41 R HN 0.250 nan 8.270 nan 0.000 0.459 42 R N 0.385 120.941 120.500 0.092 0.000 2.070 42 R HA -0.106 4.234 4.340 0.000 0.000 0.233 42 R C 2.182 178.563 176.300 0.135 0.000 1.137 42 R CA 1.574 57.747 56.100 0.121 0.000 0.945 42 R CB -0.230 30.115 30.300 0.075 0.000 0.845 42 R HN 0.188 nan 8.270 nan 0.000 0.430 43 R N 0.176 120.726 120.500 0.083 0.000 2.096 43 R HA -0.186 4.154 4.340 0.000 0.000 0.240 43 R C 2.443 178.779 176.300 0.060 0.000 1.139 43 R CA 1.681 57.816 56.100 0.058 0.000 0.952 43 R CB -0.396 29.926 30.300 0.037 0.000 0.854 43 R HN 0.204 nan 8.270 nan 0.000 0.436 44 R N -0.119 120.428 120.500 0.079 0.000 2.070 44 R HA -0.191 4.149 4.340 0.000 0.000 0.233 44 R C 1.974 178.328 176.300 0.089 0.000 1.137 44 R CA 1.783 57.927 56.100 0.073 0.000 0.945 44 R CB -0.326 30.026 30.300 0.086 0.000 0.845 44 R HN 0.297 nan 8.270 nan 0.000 0.430 45 W N 1.251 122.550 121.300 -0.002 0.000 2.436 45 W HA -0.027 4.633 4.660 -0.000 0.000 0.284 45 W C 2.096 178.620 176.519 0.008 0.000 1.225 45 W CA 1.174 58.520 57.345 0.002 0.000 1.271 45 W CB 0.098 29.561 29.460 0.006 0.000 1.114 45 W HN 0.035 nan 8.180 nan 0.000 0.559 46 R N 0.045 120.608 120.500 0.106 0.000 2.062 46 R HA -0.157 4.183 4.340 0.000 0.000 0.231 46 R C 2.022 178.252 176.300 -0.116 0.000 1.136 46 R CA 1.906 58.008 56.100 0.004 0.000 0.948 46 R CB -0.669 29.668 30.300 0.061 0.000 0.845 46 R HN 0.231 nan 8.270 nan 0.000 0.430 47 E N 0.016 120.169 120.200 -0.079 0.000 2.070 47 E HA -0.271 4.079 4.350 0.000 0.000 0.197 47 E C 2.080 178.586 176.600 -0.156 0.000 1.004 47 E CA 1.428 57.773 56.400 -0.091 0.000 0.805 47 E CB -0.060 29.608 29.700 -0.054 0.000 0.744 47 E HN 0.040 nan 8.360 nan 0.000 0.451 48 R N 0.883 121.248 120.500 -0.226 0.000 2.073 48 R HA -0.126 4.214 4.340 0.000 0.000 0.234 48 R C 2.217 178.274 176.300 -0.405 0.000 1.134 48 R CA 1.589 57.507 56.100 -0.304 0.000 0.952 48 R CB -0.310 29.792 30.300 -0.331 0.000 0.850 48 R HN 0.122 nan 8.270 nan 0.000 0.433 49 Q N 0.108 119.557 119.800 -0.585 0.000 2.119 49 Q HA -0.086 4.254 4.340 0.000 0.000 0.201 49 Q C 2.074 177.956 176.000 -0.196 0.000 0.972 49 Q CA 1.419 56.924 55.803 -0.497 0.000 0.847 49 Q CB 0.023 28.323 28.738 -0.730 0.000 0.903 49 Q HN 0.315 nan 8.270 nan 0.000 0.433 50 R N 0.054 120.455 120.500 -0.165 0.000 2.105 50 R HA -0.170 4.170 4.340 0.000 0.000 0.239 50 R C 2.359 178.628 176.300 -0.053 0.000 1.135 50 R CA 1.575 57.619 56.100 -0.093 0.000 0.967 50 R CB -0.127 30.114 30.300 -0.098 0.000 0.861 50 R HN 0.330 nan 8.270 nan 0.000 0.442 51 Q N 0.736 120.476 119.800 -0.099 0.000 1.965 51 Q HA -0.158 4.182 4.340 0.000 0.000 0.200 51 Q C 2.104 178.044 176.000 -0.100 0.000 0.981 51 Q CA 1.623 57.371 55.803 -0.091 0.000 0.834 51 Q CB -0.064 28.603 28.738 -0.117 0.000 0.900 51 Q HN 0.302 nan 8.270 nan 0.000 0.426 52 I N 0.065 120.520 120.570 -0.193 0.000 2.185 52 I HA -0.367 3.803 4.170 0.000 0.000 0.246 52 I C 2.344 178.336 176.117 -0.208 0.000 1.088 52 I CA 1.806 62.915 61.300 -0.317 0.000 1.347 52 I CB -0.535 37.096 38.000 -0.614 0.000 1.041 52 I HN 0.392 nan 8.210 nan 0.000 0.415 53 H N 0.904 119.895 119.070 -0.132 0.000 2.265 53 H HA -0.238 4.318 4.556 -0.000 0.000 0.295 53 H C 2.566 177.895 175.328 0.002 0.000 1.084 53 H CA 2.710 58.771 56.048 0.022 0.000 1.261 53 H CB -0.044 29.738 29.762 0.032 0.000 1.360 53 H HN 0.408 nan 8.280 nan 0.000 0.487 54 S N -0.240 115.553 115.700 0.156 0.000 2.382 54 S HA -0.150 4.320 4.470 0.000 0.000 0.228 54 S C 2.220 176.836 174.600 0.027 0.000 1.027 54 S CA 1.459 59.711 58.200 0.087 0.000 0.991 54 S CB -0.619 62.610 63.200 0.048 0.000 0.823 54 S HN 0.491 nan 8.310 nan 0.000 0.469 55 I N 1.889 122.450 120.570 -0.014 0.000 2.142 55 I HA -0.149 4.021 4.170 0.000 0.000 0.240 55 I C 2.842 178.950 176.117 -0.015 0.000 1.078 55 I CA 1.410 62.693 61.300 -0.027 0.000 1.343 55 I CB -0.759 37.203 38.000 -0.063 0.000 1.046 55 I HN 0.311 nan 8.210 nan 0.000 0.405 56 S N 0.178 115.856 115.700 -0.037 0.000 2.359 56 S HA -0.259 4.211 4.470 0.000 0.000 0.224 56 S C 1.918 176.525 174.600 0.012 0.000 1.035 56 S CA 1.583 59.777 58.200 -0.009 0.000 1.018 56 S CB -0.412 62.790 63.200 0.003 0.000 0.876 56 S HN 0.452 nan 8.310 nan 0.000 0.448 57 E N 1.141 121.341 120.200 -0.000 0.000 2.048 57 E HA -0.253 4.098 4.350 0.000 0.000 0.202 57 E C 2.320 178.944 176.600 0.040 0.000 1.021 57 E CA 1.331 57.743 56.400 0.020 0.000 0.825 57 E CB -0.045 29.688 29.700 0.055 0.000 0.756 57 E HN 0.358 nan 8.360 nan 0.000 0.454 58 R N -0.048 120.474 120.500 0.038 0.000 2.073 58 R HA -0.098 4.242 4.340 0.000 0.000 0.234 58 R C 2.539 178.873 176.300 0.058 0.000 1.134 58 R CA 1.658 57.780 56.100 0.038 0.000 0.952 58 R CB -0.322 29.992 30.300 0.024 0.000 0.850 58 R HN 0.292 nan 8.270 nan 0.000 0.433 59 I N 0.616 121.230 120.570 0.075 0.000 2.208 59 I HA -0.315 3.855 4.170 0.000 0.000 0.245 59 I C 2.089 178.358 176.117 0.254 0.000 1.097 59 I CA 1.393 62.778 61.300 0.142 0.000 1.363 59 I CB -0.289 37.785 38.000 0.123 0.000 1.051 59 I HN 0.143 nan 8.210 nan 0.000 0.413 60 L N 0.324 121.651 121.223 0.173 0.000 2.072 60 L HA -0.158 4.182 4.340 0.000 0.000 0.205 60 L C 2.841 179.833 176.870 0.205 0.000 1.079 60 L CA 1.497 56.453 54.840 0.194 0.000 0.752 60 L CB -0.646 41.458 42.059 0.076 0.000 0.906 60 L HN 0.346 nan 8.230 nan 0.000 0.436 61 S N -0.828 114.941 115.700 0.114 0.000 2.420 61 S HA -0.240 4.230 4.470 0.000 0.000 0.237 61 S C 1.976 176.606 174.600 0.051 0.000 1.023 61 S CA 1.714 59.957 58.200 0.072 0.000 0.991 61 S CB -1.143 62.084 63.200 0.044 0.000 0.792 61 S HN 0.613 nan 8.310 nan 0.000 0.488 62 T N -2.495 112.079 114.554 0.032 0.000 3.035 62 T HA 0.036 4.386 4.350 0.000 0.000 0.268 62 T C 1.019 175.586 174.700 -0.221 0.000 1.109 62 T CA 0.446 62.476 62.100 -0.116 0.000 1.119 62 T CB -0.714 68.032 68.868 -0.203 0.000 0.900 62 T HN 0.565 nan 8.240 nan 0.000 0.503 63 Y N 0.898 121.201 120.300 0.004 0.000 2.532 63 Y HA 0.513 5.063 4.550 0.000 0.000 0.283 63 Y C 1.253 177.156 175.900 0.004 0.000 1.181 63 Y CA -0.613 57.489 58.100 0.004 0.000 1.256 63 Y CB -0.144 38.319 38.460 0.005 0.000 1.112 63 Y HN 0.212 nan 8.280 nan 0.000 0.521 64 L N -2.320 118.959 121.223 0.093 0.000 3.609 64 L HA 0.797 5.137 4.340 0.000 0.000 0.177 64 L C 0.837 177.723 176.870 0.027 0.000 1.172 64 L CA -0.038 54.840 54.840 0.062 0.000 0.849 64 L CB -0.056 42.040 42.059 0.062 0.000 1.539 64 L HN -0.050 nan 8.230 nan 0.000 0.623 65 G N 0.000 108.810 108.800 0.017 0.000 5.446 65 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 65 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 65 G CA 0.000 45.103 45.100 0.005 0.000 0.502 65 G HN 0.000 nan 8.290 nan 0.000 0.925