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_P 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 0.000 176.306 176.300 0.010 0.000 2.045 9 D CA 0.000 54.014 54.000 0.023 0.000 0.868 9 D CB 0.000 40.834 40.800 0.056 0.000 0.688 10 E N 1.914 122.122 120.200 0.014 0.000 2.113 10 E HA -0.276 4.074 4.350 0.000 0.000 0.210 10 E C 0.689 177.291 176.600 0.003 0.000 1.040 10 E CA 1.930 58.335 56.400 0.007 0.000 0.847 10 E CB -0.025 29.684 29.700 0.016 0.000 0.755 10 E HN 0.604 nan 8.360 nan 0.000 0.459 11 D N 0.376 120.801 120.400 0.042 0.000 2.106 11 D HA -0.162 4.478 4.640 0.000 0.000 0.191 11 D C 1.956 178.214 176.300 -0.070 0.000 0.997 11 D CA 0.733 54.781 54.000 0.080 0.000 0.834 11 D CB -0.328 40.616 40.800 0.240 0.000 0.956 11 D HN 0.029 nan 8.370 nan 0.000 0.448 12 L N 0.343 121.451 121.223 -0.192 0.000 2.012 12 L HA -0.122 4.218 4.340 0.000 0.000 0.210 12 L C 1.970 178.659 176.870 -0.301 0.000 1.073 12 L CA 1.497 56.020 54.840 -0.527 0.000 0.748 12 L CB -0.656 41.194 42.059 -0.348 0.000 0.891 12 L HN 0.099 nan 8.230 nan 0.000 0.431 13 L N -0.479 120.655 121.223 -0.148 0.000 2.012 13 L HA -0.275 4.065 4.340 0.000 0.000 0.210 13 L C 2.687 179.509 176.870 -0.080 0.000 1.073 13 L CA 1.864 56.649 54.840 -0.092 0.000 0.748 13 L CB -0.835 41.193 42.059 -0.051 0.000 0.891 13 L HN 0.269 nan 8.230 nan 0.000 0.431 14 K N -0.010 120.349 120.400 -0.069 0.000 2.057 14 K HA -0.200 4.120 4.320 0.000 0.000 0.207 14 K C 2.171 178.745 176.600 -0.044 0.000 1.049 14 K CA 1.410 57.672 56.287 -0.041 0.000 0.931 14 K CB -0.121 32.369 32.500 -0.017 0.000 0.714 14 K HN 0.326 nan 8.250 nan 0.000 0.440 15 A N 0.530 123.290 122.820 -0.100 0.000 1.873 15 A HA -0.110 4.210 4.320 0.000 0.000 0.215 15 A C 2.233 179.774 177.584 -0.072 0.000 1.186 15 A CA 1.521 53.498 52.037 -0.099 0.000 0.616 15 A CB -0.550 18.281 19.000 -0.281 0.000 0.823 15 A HN 0.141 nan 8.150 nan 0.000 0.442 16 V N -0.057 119.794 119.914 -0.105 0.000 2.307 16 V HA -0.259 3.861 4.120 0.000 0.000 0.245 16 V C 2.573 178.672 176.094 0.008 0.000 1.045 16 V CA 2.173 64.444 62.300 -0.050 0.000 1.024 16 V CB -0.899 30.880 31.823 -0.073 0.000 0.651 16 V HN 0.508 nan 8.190 nan 0.000 0.449 17 R N -0.427 120.073 120.500 0.001 0.000 2.117 17 R HA -0.209 4.131 4.340 0.000 0.000 0.243 17 R C 2.251 178.599 176.300 0.082 0.000 1.143 17 R CA 1.831 57.949 56.100 0.031 0.000 0.968 17 R CB -0.560 29.742 30.300 0.002 0.000 0.863 17 R HN 0.428 nan 8.270 nan 0.000 0.444 18 L N 0.751 122.018 121.223 0.074 0.000 2.044 18 L HA -0.077 4.263 4.340 0.000 0.000 0.205 18 L C 1.941 178.905 176.870 0.157 0.000 1.075 18 L CA 1.575 56.494 54.840 0.133 0.000 0.747 18 L CB -0.249 41.861 42.059 0.085 0.000 0.903 18 L HN 0.093 nan 8.230 nan 0.000 0.435 19 I N -0.403 120.226 120.570 0.097 0.000 2.208 19 I HA -0.308 3.862 4.170 0.000 0.000 0.245 19 I C 2.602 178.828 176.117 0.181 0.000 1.097 19 I CA 1.322 62.677 61.300 0.092 0.000 1.363 19 I CB -0.423 37.632 38.000 0.092 0.000 1.051 19 I HN 0.281 nan 8.210 nan 0.000 0.413 20 K N 0.319 120.835 120.400 0.194 0.000 2.032 20 K HA -0.253 4.067 4.320 0.000 0.000 0.209 20 K C 2.234 178.971 176.600 0.227 0.000 1.048 20 K CA 1.903 58.318 56.287 0.213 0.000 0.927 20 K CB -0.400 32.184 32.500 0.139 0.000 0.712 20 K HN 0.181 nan 8.250 nan 0.000 0.441 21 F N 1.758 121.749 119.950 0.068 0.000 2.161 21 F HA -0.191 4.336 4.527 0.000 0.000 0.300 21 F C 1.858 177.681 175.800 0.038 0.000 1.089 21 F CA 1.225 59.254 58.000 0.048 0.000 1.282 21 F CB -0.319 38.695 39.000 0.023 0.000 1.010 21 F HN -0.039 nan 8.300 nan 0.000 0.485 22 L N -1.361 119.757 121.223 -0.175 0.000 2.275 22 L HA -0.211 4.129 4.340 0.000 0.000 0.215 22 L C 1.939 178.619 176.870 -0.316 0.000 1.119 22 L CA 0.992 55.628 54.840 -0.340 0.000 0.790 22 L CB -0.643 41.252 42.059 -0.273 0.000 0.919 22 L HN 0.121 nan 8.230 nan 0.000 0.443 23 Y N -0.754 119.485 120.300 -0.101 0.000 2.314 23 Y HA -0.113 4.437 4.550 0.000 0.000 0.294 23 Y C 2.623 178.516 175.900 -0.011 0.000 1.119 23 Y CA 0.770 58.846 58.100 -0.039 0.000 1.179 23 Y CB -0.169 38.289 38.460 -0.003 0.000 1.025 23 Y HN 0.137 nan 8.280 nan 0.000 0.541 24 Q N -0.199 119.664 119.800 0.106 0.000 2.050 24 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 24 Q C 0.707 176.698 176.000 -0.016 0.000 0.980 24 Q CA 1.132 56.974 55.803 0.065 0.000 0.840 24 Q CB -0.167 28.630 28.738 0.098 0.000 0.898 24 Q HN 0.223 nan 8.270 nan 0.000 0.424 25 S N 1.120 116.690 115.700 -0.215 0.000 2.603 25 S HA 0.092 4.562 4.470 0.000 0.000 0.268 25 S C -0.089 174.466 174.600 -0.076 0.000 1.317 25 S CA -0.428 57.630 58.200 -0.238 0.000 1.012 25 S CB 0.487 63.356 63.200 -0.552 0.000 0.926 25 S HN 0.469 nan 8.310 nan 0.000 0.539 26 N N -0.338 118.369 118.700 0.011 0.000 2.696 26 N HA -0.133 4.607 4.740 0.000 0.000 0.256 26 N C -2.854 172.927 175.510 0.452 0.000 1.031 26 N CA 0.294 53.438 53.050 0.157 0.000 0.730 26 N CB -1.375 37.114 38.487 0.003 0.000 0.894 26 N HN 0.362 nan 8.380 nan 0.000 0.544 27 P HA 0.415 nan 4.420 nan 0.000 0.321 27 P C -2.479 174.785 177.300 -0.060 0.000 1.304 27 P CA -1.154 62.121 63.100 0.293 0.000 0.759 27 P CB 0.028 31.793 31.700 0.109 0.000 1.385 28 P HA 0.016 nan 4.420 nan 0.000 0.267 28 P C -1.682 175.312 177.300 -0.510 0.000 1.201 28 P CA -0.376 62.234 63.100 -0.816 0.000 0.775 28 P CB -1.004 30.403 31.700 -0.489 0.000 0.854 29 P HA -0.139 nan 4.420 nan 0.000 0.209 29 P C 0.791 178.014 177.300 -0.129 0.000 1.053 29 P CA 1.321 64.289 63.100 -0.221 0.000 0.855 29 P CB 0.053 31.657 31.700 -0.161 0.000 0.566 30 N N -0.959 117.683 118.700 -0.097 0.000 2.765 30 N HA 0.151 4.891 4.740 0.000 0.000 0.230 30 N C -1.454 174.017 175.510 -0.065 0.000 1.022 30 N CA 0.179 53.190 53.050 -0.064 0.000 1.106 30 N CB -1.690 36.774 38.487 -0.038 0.000 1.527 30 N HN 0.365 nan 8.380 nan 0.000 0.507 31 P HA 0.450 nan 4.420 nan 0.000 0.292 31 P C -1.214 176.065 177.300 -0.036 0.000 1.283 31 P CA 0.019 63.086 63.100 -0.056 0.000 0.835 31 P CB 1.889 33.553 31.700 -0.061 0.000 1.017 32 E N -0.026 120.157 120.200 -0.029 0.000 2.224 32 E HA 0.545 4.895 4.350 0.000 0.000 0.265 32 E C -0.398 176.194 176.600 -0.014 0.000 0.878 32 E CA -0.819 55.569 56.400 -0.019 0.000 0.759 32 E CB 2.005 31.697 29.700 -0.014 0.000 1.164 32 E HN 0.621 nan 8.360 nan 0.000 0.414 33 G N 1.701 110.494 108.800 -0.012 0.000 2.338 33 G HA2 0.550 4.510 3.960 0.000 0.000 0.298 33 G HA3 0.550 4.510 3.960 0.000 0.000 0.298 33 G C -0.599 174.298 174.900 -0.005 0.000 1.140 33 G CA -0.223 44.872 45.100 -0.009 0.000 0.860 33 G HN 0.411 nan 8.290 nan 0.000 0.470 34 T N -0.419 114.134 114.554 -0.003 0.000 3.393 34 T HA 0.319 4.669 4.350 0.000 0.000 0.359 34 T C -0.303 174.397 174.700 0.000 0.000 1.380 34 T CA -1.100 60.999 62.100 -0.001 0.000 1.132 34 T CB 1.089 69.957 68.868 0.000 0.000 1.284 34 T HN 0.655 nan 8.240 nan 0.000 0.477 35 R N 2.441 122.942 120.500 0.001 0.000 2.501 35 R HA 0.012 4.352 4.340 0.000 0.000 0.319 35 R C 0.924 177.226 176.300 0.003 0.000 0.913 35 R CA 0.644 56.745 56.100 0.002 0.000 1.104 35 R CB -0.152 30.149 30.300 0.001 0.000 0.901 35 R HN 0.902 nan 8.270 nan 0.000 0.407 36 Q N 0.323 120.126 119.800 0.004 0.000 2.152 36 Q HA -0.354 3.986 4.340 0.000 0.000 0.151 36 Q C 1.178 177.183 176.000 0.008 0.000 0.711 36 Q CA 1.800 57.607 55.803 0.006 0.000 1.423 36 Q CB -1.052 27.689 28.738 0.006 0.000 1.466 36 Q HN 0.856 nan 8.270 nan 0.000 0.901 37 A N 0.346 123.170 122.820 0.007 0.000 2.072 37 A HA -0.034 4.286 4.320 0.000 0.000 0.216 37 A C 1.724 179.314 177.584 0.009 0.000 1.156 37 A CA 1.106 53.148 52.037 0.008 0.000 0.701 37 A CB -0.252 18.752 19.000 0.006 0.000 0.816 37 A HN 0.346 nan 8.150 nan 0.000 0.458 38 R N -0.259 120.244 120.500 0.006 0.000 2.062 38 R HA -0.069 4.271 4.340 0.000 0.000 0.229 38 R C 1.978 178.283 176.300 0.009 0.000 1.128 38 R CA 1.373 57.474 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 0.371 nan 8.270 nan 0.000 0.432 39 R N 0.234 120.741 120.500 0.012 0.000 2.235 39 R HA -0.039 4.301 4.340 0.000 0.000 0.213 39 R C 1.799 178.115 176.300 0.027 0.000 1.059 39 R CA 1.170 57.281 56.100 0.019 0.000 0.997 39 R CB -0.434 29.875 30.300 0.015 0.000 0.884 39 R HN 0.363 nan 8.270 nan 0.000 0.462 40 N N 0.971 119.685 118.700 0.024 0.000 2.120 40 N HA -0.150 4.590 4.740 0.000 0.000 0.188 40 N C 1.405 176.940 175.510 0.042 0.000 1.024 40 N CA 1.290 54.356 53.050 0.027 0.000 0.852 40 N CB 0.140 38.639 38.487 0.021 0.000 1.003 40 N HN 0.052 nan 8.380 nan 0.000 0.424 41 R N -0.264 120.263 120.500 0.046 0.000 2.236 41 R HA 0.166 4.506 4.340 0.000 0.000 0.208 41 R C 2.179 178.548 176.300 0.114 0.000 1.036 41 R CA 0.478 56.622 56.100 0.073 0.000 1.001 41 R CB 0.044 30.377 30.300 0.056 0.000 0.896 41 R HN 0.249 nan 8.270 nan 0.000 0.464 42 R N 0.409 120.963 120.500 0.090 0.000 2.070 42 R HA -0.109 4.231 4.340 0.000 0.000 0.233 42 R C 2.178 178.556 176.300 0.131 0.000 1.137 42 R CA 1.593 57.764 56.100 0.118 0.000 0.945 42 R CB -0.232 30.112 30.300 0.073 0.000 0.845 42 R HN 0.188 nan 8.270 nan 0.000 0.430 43 R N 0.154 120.702 120.500 0.080 0.000 2.096 43 R HA -0.188 4.152 4.340 0.000 0.000 0.240 43 R C 2.436 178.771 176.300 0.057 0.000 1.139 43 R CA 1.710 57.843 56.100 0.056 0.000 0.952 43 R CB -0.382 29.939 30.300 0.035 0.000 0.854 43 R HN 0.188 nan 8.270 nan 0.000 0.436 44 R N -0.160 120.386 120.500 0.076 0.000 2.070 44 R HA -0.184 4.156 4.340 0.000 0.000 0.233 44 R C 1.955 178.309 176.300 0.090 0.000 1.137 44 R CA 1.749 57.892 56.100 0.071 0.000 0.945 44 R CB -0.320 30.030 30.300 0.084 0.000 0.845 44 R HN 0.298 nan 8.270 nan 0.000 0.430 45 W N 1.164 122.462 121.300 -0.004 0.000 2.436 45 W HA -0.023 4.637 4.660 0.000 0.000 0.284 45 W C 2.023 178.545 176.519 0.004 0.000 1.225 45 W CA 1.137 58.481 57.345 -0.001 0.000 1.271 45 W CB 0.109 29.571 29.460 0.003 0.000 1.114 45 W HN 0.024 nan 8.180 nan 0.000 0.559 46 R N 0.076 120.638 120.500 0.103 0.000 2.062 46 R HA -0.160 4.180 4.340 0.000 0.000 0.231 46 R C 2.022 178.246 176.300 -0.126 0.000 1.136 46 R CA 1.930 58.028 56.100 -0.004 0.000 0.948 46 R CB -0.671 29.663 30.300 0.055 0.000 0.845 46 R HN 0.233 nan 8.270 nan 0.000 0.430 47 E N 0.002 120.151 120.200 -0.085 0.000 2.070 47 E HA -0.271 4.079 4.350 0.000 0.000 0.197 47 E C 2.078 178.581 176.600 -0.162 0.000 1.004 47 E CA 1.423 57.765 56.400 -0.096 0.000 0.805 47 E CB -0.061 29.605 29.700 -0.056 0.000 0.744 47 E HN 0.042 nan 8.360 nan 0.000 0.451 48 R N 0.891 121.251 120.500 -0.233 0.000 2.073 48 R HA -0.129 4.211 4.340 0.000 0.000 0.234 48 R C 2.221 178.272 176.300 -0.416 0.000 1.134 48 R CA 1.603 57.516 56.100 -0.311 0.000 0.952 48 R CB -0.312 29.789 30.300 -0.332 0.000 0.850 48 R HN 0.121 nan 8.270 nan 0.000 0.433 49 Q N 0.105 119.539 119.800 -0.611 0.000 2.119 49 Q HA -0.085 4.255 4.340 0.000 0.000 0.201 49 Q C 2.084 177.957 176.000 -0.212 0.000 0.972 49 Q CA 1.431 56.923 55.803 -0.518 0.000 0.847 49 Q CB 0.019 28.300 28.738 -0.763 0.000 0.903 49 Q HN 0.318 nan 8.270 nan 0.000 0.433 50 R N 0.055 120.445 120.500 -0.183 0.000 2.105 50 R HA -0.168 4.172 4.340 0.000 0.000 0.239 50 R C 2.356 178.618 176.300 -0.064 0.000 1.135 50 R CA 1.543 57.577 56.100 -0.110 0.000 0.967 50 R CB -0.119 30.115 30.300 -0.111 0.000 0.861 50 R HN 0.330 nan 8.270 nan 0.000 0.442 51 Q N 0.740 120.476 119.800 -0.106 0.000 1.965 51 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 51 Q C 2.105 178.046 176.000 -0.099 0.000 0.981 51 Q CA 1.612 57.359 55.803 -0.094 0.000 0.834 51 Q CB -0.063 28.604 28.738 -0.119 0.000 0.900 51 Q HN 0.299 nan 8.270 nan 0.000 0.426 52 I N 0.068 120.525 120.570 -0.189 0.000 2.185 52 I HA -0.370 3.800 4.170 0.000 0.000 0.246 52 I C 2.355 178.357 176.117 -0.190 0.000 1.088 52 I CA 1.826 62.944 61.300 -0.303 0.000 1.347 52 I CB -0.545 37.100 38.000 -0.591 0.000 1.041 52 I HN 0.395 nan 8.210 nan 0.000 0.415 53 H N 0.901 119.896 119.070 -0.125 0.000 2.265 53 H HA -0.238 4.318 4.556 0.000 0.000 0.295 53 H C 2.561 177.892 175.328 0.006 0.000 1.084 53 H CA 2.704 58.769 56.048 0.029 0.000 1.261 53 H CB -0.038 29.744 29.762 0.033 0.000 1.360 53 H HN 0.409 nan 8.280 nan 0.000 0.487 54 S N -0.274 115.522 115.700 0.160 0.000 2.382 54 S HA -0.143 4.327 4.470 0.000 0.000 0.228 54 S C 2.216 176.834 174.600 0.030 0.000 1.027 54 S CA 1.434 59.688 58.200 0.089 0.000 0.991 54 S CB -0.596 62.634 63.200 0.050 0.000 0.823 54 S HN 0.491 nan 8.310 nan 0.000 0.469 55 I N 1.884 122.449 120.570 -0.009 0.000 2.163 55 I HA -0.142 4.028 4.170 0.000 0.000 0.240 55 I C 2.840 178.951 176.117 -0.010 0.000 1.081 55 I CA 1.383 62.669 61.300 -0.023 0.000 1.353 55 I CB -0.755 37.211 38.000 -0.056 0.000 1.054 55 I HN 0.305 nan 8.210 nan 0.000 0.407 56 S N 0.190 115.872 115.700 -0.029 0.000 2.359 56 S HA -0.262 4.208 4.470 0.000 0.000 0.224 56 S C 1.920 176.531 174.600 0.017 0.000 1.035 56 S CA 1.605 59.804 58.200 -0.001 0.000 1.018 56 S CB -0.413 62.798 63.200 0.019 0.000 0.876 56 S HN 0.454 nan 8.310 nan 0.000 0.448 57 E N 1.130 121.333 120.200 0.004 0.000 2.048 57 E HA -0.249 4.101 4.350 0.000 0.000 0.202 57 E C 2.318 178.942 176.600 0.040 0.000 1.021 57 E CA 1.312 57.724 56.400 0.020 0.000 0.825 57 E CB -0.043 29.688 29.700 0.052 0.000 0.756 57 E HN 0.359 nan 8.360 nan 0.000 0.454 58 R N -0.039 120.485 120.500 0.039 0.000 2.073 58 R HA -0.098 4.242 4.340 0.000 0.000 0.234 58 R C 2.536 178.871 176.300 0.058 0.000 1.134 58 R CA 1.657 57.780 56.100 0.038 0.000 0.952 58 R CB -0.322 29.993 30.300 0.025 0.000 0.850 58 R HN 0.292 nan 8.270 nan 0.000 0.433 59 I N 0.621 121.236 120.570 0.076 0.000 2.208 59 I HA -0.315 3.855 4.170 0.000 0.000 0.245 59 I C 2.078 178.347 176.117 0.254 0.000 1.097 59 I CA 1.409 62.795 61.300 0.142 0.000 1.363 59 I CB -0.300 37.774 38.000 0.124 0.000 1.051 59 I HN 0.140 nan 8.210 nan 0.000 0.413 60 L N 0.346 121.674 121.223 0.176 0.000 2.072 60 L HA -0.153 4.187 4.340 0.000 0.000 0.205 60 L C 2.829 179.821 176.870 0.203 0.000 1.079 60 L CA 1.458 56.417 54.840 0.198 0.000 0.752 60 L CB -0.655 41.450 42.059 0.077 0.000 0.906 60 L HN 0.346 nan 8.230 nan 0.000 0.436 61 S N -0.817 114.951 115.700 0.114 0.000 2.420 61 S HA -0.233 4.237 4.470 0.000 0.000 0.237 61 S C 1.980 176.609 174.600 0.048 0.000 1.023 61 S CA 1.688 59.930 58.200 0.070 0.000 0.991 61 S CB -1.109 62.117 63.200 0.043 0.000 0.792 61 S HN 0.611 nan 8.310 nan 0.000 0.488 62 T N -2.486 112.085 114.554 0.030 0.000 3.035 62 T HA 0.043 4.393 4.350 0.000 0.000 0.268 62 T C 1.006 175.573 174.700 -0.222 0.000 1.109 62 T CA 0.415 62.444 62.100 -0.119 0.000 1.119 62 T CB -0.716 68.028 68.868 -0.207 0.000 0.900 62 T HN 0.560 nan 8.240 nan 0.000 0.503 63 Y N 0.939 121.241 120.300 0.004 0.000 2.532 63 Y HA 0.515 5.065 4.550 0.000 0.000 0.283 63 Y C 1.278 177.180 175.900 0.003 0.000 1.181 63 Y CA -0.588 57.514 58.100 0.004 0.000 1.256 63 Y CB -0.174 38.289 38.460 0.005 0.000 1.112 63 Y HN 0.209 nan 8.280 nan 0.000 0.521 64 L N -2.352 118.924 121.223 0.089 0.000 3.383 64 L HA 0.755 5.096 4.340 0.000 0.000 0.169 64 L C 0.895 177.780 176.870 0.025 0.000 1.161 64 L CA 0.038 54.913 54.840 0.060 0.000 0.847 64 L CB -0.012 42.082 42.059 0.059 0.000 1.514 64 L HN -0.030 nan 8.230 nan 0.000 0.582 65 G N 0.000 108.808 108.800 0.014 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 45.101 45.100 0.002 0.000 0.502 65 G HN 0.000 nan 8.290 nan 0.000 0.925