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 2z3x_1_B DATA FIRST_RESID 2 DATA SEQUENCE AKLLIPQAAS AIEQMKLEIA SEFGVQLGAE TTSRANGSVG GEITKRLVRL DATA SEQUENCE AQQNMG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 3 K N 2.688 123.086 120.400 -0.004 0.000 2.320 3 K HA 0.065 4.385 4.320 0.000 0.000 0.269 3 K C -0.208 176.389 176.600 -0.004 0.000 1.182 3 K CA 0.271 56.556 56.287 -0.004 0.000 1.190 3 K CB -0.660 31.839 32.500 -0.003 0.000 0.850 3 K HN 0.542 nan 8.250 nan 0.000 0.467 4 L N 4.133 125.353 121.223 -0.005 0.000 2.479 4 L HA -0.126 4.214 4.340 0.000 0.000 0.270 4 L C 1.982 178.850 176.870 -0.004 0.000 1.236 4 L CA -0.714 54.123 54.840 -0.005 0.000 0.823 4 L CB -0.023 42.032 42.059 -0.007 0.000 1.098 4 L HN 0.487 nan 8.230 nan 0.000 0.500 5 L N 1.409 122.630 121.223 -0.004 0.000 2.042 5 L HA -0.129 4.211 4.340 0.000 0.000 0.210 5 L C 0.615 177.483 176.870 -0.004 0.000 1.076 5 L CA 1.797 56.635 54.840 -0.003 0.000 0.749 5 L CB -0.276 41.781 42.059 -0.003 0.000 0.893 5 L HN 0.380 nan 8.230 nan 0.000 0.432 6 I N -0.716 119.851 120.570 -0.004 0.000 2.464 6 I HA 0.222 4.392 4.170 0.000 0.000 0.277 6 I C -1.608 174.506 176.117 -0.005 0.000 1.040 6 I CA -1.880 59.417 61.300 -0.004 0.000 1.153 6 I CB 1.277 39.274 38.000 -0.005 0.000 1.274 6 I HN -0.108 nan 8.210 nan 0.000 0.469 7 P HA -0.203 nan 4.420 nan 0.000 0.216 7 P C 1.170 178.466 177.300 -0.006 0.000 1.150 7 P CA 1.189 64.286 63.100 -0.005 0.000 0.843 7 P CB 0.243 31.941 31.700 -0.004 0.000 0.787 8 Q N -0.725 119.072 119.800 -0.005 0.000 2.368 8 Q HA -0.060 4.280 4.340 0.000 0.000 0.210 8 Q C 1.993 177.989 176.000 -0.006 0.000 0.982 8 Q CA 1.538 57.338 55.803 -0.005 0.000 0.884 8 Q CB -1.217 27.519 28.738 -0.005 0.000 0.933 8 Q HN 0.242 nan 8.270 nan 0.000 0.460 9 A N -0.114 122.702 122.820 -0.007 0.000 2.218 9 A HA 0.307 4.627 4.320 0.000 0.000 0.209 9 A C 2.075 179.653 177.584 -0.010 0.000 1.168 9 A CA 0.734 52.766 52.037 -0.008 0.000 0.804 9 A CB -0.477 18.518 19.000 -0.009 0.000 0.834 9 A HN 0.314 nan 8.150 nan 0.000 0.482 10 A N 0.217 123.031 122.820 -0.009 0.000 1.894 10 A HA -0.305 4.015 4.320 0.000 0.000 0.220 10 A C 2.496 180.073 177.584 -0.012 0.000 1.237 10 A CA 2.572 54.603 52.037 -0.010 0.000 0.660 10 A CB -1.273 17.722 19.000 -0.008 0.000 0.835 10 A HN 0.681 nan 8.150 nan 0.000 0.461 11 S N -0.851 114.843 115.700 -0.010 0.000 2.370 11 S HA -0.062 4.408 4.470 0.000 0.000 0.226 11 S C 2.160 176.752 174.600 -0.013 0.000 1.033 11 S CA 1.858 60.051 58.200 -0.011 0.000 1.011 11 S CB -0.567 62.628 63.200 -0.009 0.000 0.852 11 S HN 0.989 nan 8.310 nan 0.000 0.457 12 A N 1.528 124.340 122.820 -0.013 0.000 1.873 12 A HA 0.010 4.330 4.320 0.000 0.000 0.215 12 A C 2.128 179.700 177.584 -0.020 0.000 1.186 12 A CA 1.625 53.653 52.037 -0.015 0.000 0.616 12 A CB -0.919 18.073 19.000 -0.013 0.000 0.823 12 A HN 0.810 nan 8.150 nan 0.000 0.442 13 I N -1.289 119.269 120.570 -0.020 0.000 2.286 13 I HA -0.138 4.032 4.170 0.000 0.000 0.248 13 I C 1.962 178.062 176.117 -0.029 0.000 1.115 13 I CA 2.335 63.620 61.300 -0.025 0.000 1.392 13 I CB -0.762 37.225 38.000 -0.022 0.000 1.065 13 I HN 0.292 nan 8.210 nan 0.000 0.418 14 E N 1.102 121.287 120.200 -0.024 0.000 2.058 14 E HA -0.259 4.091 4.350 0.000 0.000 0.194 14 E C 2.147 178.730 176.600 -0.029 0.000 0.997 14 E CA 1.821 58.207 56.400 -0.024 0.000 0.801 14 E CB -0.289 29.400 29.700 -0.018 0.000 0.746 14 E HN 0.609 nan 8.360 nan 0.000 0.450 15 Q N -0.134 119.650 119.800 -0.026 0.000 2.079 15 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 15 Q C 2.320 178.297 176.000 -0.038 0.000 0.974 15 Q CA 1.677 57.463 55.803 -0.028 0.000 0.840 15 Q CB -0.666 28.059 28.738 -0.022 0.000 0.898 15 Q HN 0.468 nan 8.270 nan 0.000 0.430 16 M N 0.736 120.311 119.600 -0.042 0.000 2.108 16 M HA -0.221 4.259 4.480 0.000 0.000 0.261 16 M C 2.182 178.434 176.300 -0.080 0.000 1.066 16 M CA 1.667 56.934 55.300 -0.056 0.000 1.107 16 M CB -0.057 32.512 32.600 -0.051 0.000 1.356 16 M HN 0.085 nan 8.290 nan 0.000 0.406 17 K N 0.470 120.827 120.400 -0.072 0.000 2.009 17 K HA -0.187 4.133 4.320 0.000 0.000 0.210 17 K C 1.816 178.362 176.600 -0.090 0.000 1.049 17 K CA 1.771 58.007 56.287 -0.085 0.000 0.929 17 K CB -0.320 32.144 32.500 -0.059 0.000 0.714 17 K HN 0.445 nan 8.250 nan 0.000 0.440 18 L N 0.825 122.011 121.223 -0.062 0.000 2.017 18 L HA -0.204 4.136 4.340 0.000 0.000 0.208 18 L C 2.667 179.501 176.870 -0.061 0.000 1.073 18 L CA 1.751 56.560 54.840 -0.051 0.000 0.745 18 L CB -0.732 41.307 42.059 -0.033 0.000 0.894 18 L HN 0.384 nan 8.230 nan 0.000 0.432 19 E N 1.104 121.266 120.200 -0.064 0.000 2.110 19 E HA -0.218 4.132 4.350 0.000 0.000 0.193 19 E C 1.949 178.488 176.600 -0.102 0.000 0.988 19 E CA 1.586 57.949 56.400 -0.062 0.000 0.804 19 E CB -0.485 29.184 29.700 -0.051 0.000 0.745 19 E HN 0.492 nan 8.360 nan 0.000 0.458 20 I N 0.762 121.227 120.570 -0.175 0.000 2.286 20 I HA -0.161 4.009 4.170 0.000 0.000 0.245 20 I C 2.520 178.413 176.117 -0.372 0.000 1.104 20 I CA 0.883 61.969 61.300 -0.358 0.000 1.397 20 I CB -0.471 37.250 38.000 -0.464 0.000 1.072 20 I HN 0.305 nan 8.210 nan 0.000 0.417 21 A N 1.132 123.829 122.820 -0.206 0.000 1.883 21 A HA -0.242 4.078 4.320 0.000 0.000 0.217 21 A C 2.530 180.111 177.584 -0.005 0.000 1.186 21 A CA 2.451 54.433 52.037 -0.090 0.000 0.624 21 A CB -0.919 18.051 19.000 -0.050 0.000 0.822 21 A HN 0.520 nan 8.150 nan 0.000 0.444 22 S N 0.296 115.988 115.700 -0.014 0.000 2.359 22 S HA -0.238 4.232 4.470 0.000 0.000 0.224 22 S C 1.711 176.352 174.600 0.068 0.000 1.035 22 S CA 1.478 59.691 58.200 0.023 0.000 1.018 22 S CB -0.693 62.511 63.200 0.007 0.000 0.876 22 S HN 0.689 nan 8.310 nan 0.000 0.448 23 E N 0.411 120.653 120.200 0.071 0.000 2.118 23 E HA -0.088 4.262 4.350 0.000 0.000 0.195 23 E C 1.574 178.376 176.600 0.337 0.000 0.992 23 E CA 1.164 57.664 56.400 0.165 0.000 0.804 23 E CB -0.268 29.532 29.700 0.168 0.000 0.741 23 E HN 0.517 nan 8.360 nan 0.000 0.458 24 F N -0.321 119.629 119.950 -0.000 0.000 2.558 24 F HA 0.158 4.685 4.527 -0.000 0.000 0.298 24 F C 1.812 177.612 175.800 -0.000 0.000 1.119 24 F CA 0.911 58.911 58.000 -0.000 0.000 1.451 24 F CB -0.236 38.764 39.000 -0.000 0.000 1.091 24 F HN 0.084 nan 8.300 nan 0.000 0.563 25 G N 0.804 109.717 108.800 0.188 0.000 2.176 25 G HA2 -0.187 3.773 3.960 0.000 0.000 0.252 25 G HA3 -0.187 3.773 3.960 0.000 0.000 0.252 25 G C 0.046 175.001 174.900 0.092 0.000 1.024 25 G CA 0.262 45.422 45.100 0.101 0.000 0.755 25 G HN 0.492 nan 8.290 nan 0.000 0.507 26 V N -2.453 117.532 119.914 0.120 0.000 2.427 26 V HA 0.831 4.951 4.120 0.000 0.000 0.286 26 V C 0.003 176.129 176.094 0.053 0.000 1.034 26 V CA -1.170 61.185 62.300 0.091 0.000 0.893 26 V CB 1.968 33.868 31.823 0.129 0.000 0.982 26 V HN 0.376 nan 8.190 nan 0.000 0.452 27 Q N 3.713 123.535 119.800 0.038 0.000 2.360 27 Q HA 0.520 4.860 4.340 0.000 0.000 0.254 27 Q C -0.982 175.030 176.000 0.019 0.000 0.975 27 Q CA -0.453 55.364 55.803 0.023 0.000 0.912 27 Q CB 1.274 30.023 28.738 0.019 0.000 1.212 27 Q HN 0.818 nan 8.270 nan 0.000 0.452 28 L N 3.476 124.706 121.223 0.012 0.000 2.455 28 L HA 0.668 5.008 4.340 0.000 0.000 0.272 28 L C 0.718 177.592 176.870 0.007 0.000 1.174 28 L CA 1.106 55.951 54.840 0.008 0.000 0.869 28 L CB 0.687 42.746 42.059 -0.001 0.000 1.130 28 L HN 0.774 nan 8.230 nan 0.000 0.474 29 G N 1.463 110.268 108.800 0.008 0.000 2.355 29 G HA2 0.460 4.420 3.960 0.000 0.000 0.296 29 G HA3 0.460 4.420 3.960 0.000 0.000 0.296 29 G C 0.211 175.115 174.900 0.007 0.000 1.507 29 G CA -0.115 44.988 45.100 0.006 0.000 0.823 29 G HN 0.660 nan 8.290 nan 0.000 0.569 30 A N -0.254 122.569 122.820 0.005 0.000 1.940 30 A HA 0.028 4.348 4.320 0.000 0.000 0.219 30 A C 1.720 179.308 177.584 0.006 0.000 1.176 30 A CA 2.246 54.286 52.037 0.005 0.000 0.631 30 A CB -0.222 18.781 19.000 0.004 0.000 0.814 30 A HN 0.508 nan 8.150 nan 0.000 0.446 31 E N 0.140 120.343 120.200 0.006 0.000 2.489 31 E HA 0.051 4.401 4.350 0.000 0.000 0.193 31 E C -0.074 176.532 176.600 0.009 0.000 1.057 31 E CA 0.190 56.594 56.400 0.007 0.000 0.866 31 E CB -0.277 29.427 29.700 0.006 0.000 0.916 31 E HN 0.457 nan 8.360 nan 0.000 0.500 32 T N 1.723 116.284 114.554 0.011 0.000 2.909 32 T HA 0.178 4.528 4.350 0.000 0.000 0.289 32 T C 0.463 175.172 174.700 0.014 0.000 1.005 32 T CA -0.390 61.718 62.100 0.014 0.000 1.084 32 T CB 1.220 70.098 68.868 0.018 0.000 0.975 32 T HN 0.170 nan 8.240 nan 0.000 0.509 33 T N 0.857 115.420 114.554 0.016 0.000 2.906 33 T HA 0.044 4.394 4.350 0.000 0.000 0.320 33 T C 1.532 176.242 174.700 0.017 0.000 1.088 33 T CA -0.505 61.603 62.100 0.015 0.000 1.120 33 T CB 0.427 69.303 68.868 0.014 0.000 1.000 33 T HN 0.383 nan 8.240 nan 0.000 0.550 34 S N 0.526 116.235 115.700 0.015 0.000 2.423 34 S HA -0.073 4.397 4.470 0.000 0.000 0.231 34 S C 2.043 176.656 174.600 0.022 0.000 1.014 34 S CA 0.967 59.176 58.200 0.016 0.000 0.965 34 S CB -0.420 62.788 63.200 0.013 0.000 0.785 34 S HN 0.810 nan 8.310 nan 0.000 0.495 35 R N 1.244 121.757 120.500 0.021 0.000 2.066 35 R HA -0.001 4.339 4.340 0.000 0.000 0.232 35 R C 2.342 178.666 176.300 0.040 0.000 1.131 35 R CA 1.340 57.456 56.100 0.026 0.000 0.955 35 R CB -0.520 29.791 30.300 0.017 0.000 0.851 35 R HN 0.326 nan 8.270 nan 0.000 0.432 36 A N 1.351 124.195 122.820 0.040 0.000 1.902 36 A HA -0.169 4.151 4.320 0.000 0.000 0.217 36 A C 1.863 179.490 177.584 0.072 0.000 1.181 36 A CA 1.611 53.684 52.037 0.060 0.000 0.623 36 A CB -0.668 18.361 19.000 0.048 0.000 0.818 36 A HN 0.439 nan 8.150 nan 0.000 0.443 37 N N 0.038 118.766 118.700 0.047 0.000 2.084 37 N HA -0.123 4.617 4.740 0.000 0.000 0.190 37 N C 1.891 177.424 175.510 0.039 0.000 1.030 37 N CA 1.525 54.597 53.050 0.037 0.000 0.849 37 N CB -0.709 37.792 38.487 0.023 0.000 1.012 37 N HN 0.480 nan 8.380 nan 0.000 0.423 38 G N 0.730 109.554 108.800 0.041 0.000 2.422 38 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 38 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 38 G C 1.725 176.664 174.900 0.065 0.000 1.146 38 G CA 1.428 46.553 45.100 0.041 0.000 0.769 38 G HN 0.491 nan 8.290 nan 0.000 0.547 39 S N 0.482 116.243 115.700 0.102 0.000 2.374 39 S HA -0.175 4.295 4.470 0.000 0.000 0.227 39 S C 2.262 176.987 174.600 0.209 0.000 1.037 39 S CA 1.672 59.982 58.200 0.184 0.000 1.024 39 S CB -0.657 62.690 63.200 0.245 0.000 0.861 39 S HN 0.124 nan 8.310 nan 0.000 0.456 40 V N 2.338 122.315 119.914 0.105 0.000 2.358 40 V HA -0.029 4.091 4.120 0.000 0.000 0.246 40 V C 2.959 179.021 176.094 -0.054 0.000 1.047 40 V CA 1.803 64.066 62.300 -0.062 0.000 1.035 40 V CB -1.690 30.084 31.823 -0.081 0.000 0.658 40 V HN 0.676 nan 8.190 nan 0.000 0.452 41 G N -0.082 108.713 108.800 -0.008 0.000 2.432 41 G HA2 -0.129 3.831 3.960 0.000 0.000 0.219 41 G HA3 -0.129 3.831 3.960 0.000 0.000 0.219 41 G C 1.588 176.490 174.900 0.004 0.000 1.135 41 G CA 0.904 45.998 45.100 -0.009 0.000 0.767 41 G HN 0.583 nan 8.290 nan 0.000 0.550 42 G N 0.321 109.140 108.800 0.033 0.000 2.402 42 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 42 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 42 G C 1.644 176.571 174.900 0.045 0.000 1.162 42 G CA 0.952 46.081 45.100 0.048 0.000 0.777 42 G HN 0.325 nan 8.290 nan 0.000 0.539 43 E N 0.491 120.718 120.200 0.045 0.000 2.077 43 E HA -0.052 4.298 4.350 0.000 0.000 0.193 43 E C 2.655 179.239 176.600 -0.027 0.000 0.989 43 E CA 0.427 56.837 56.400 0.017 0.000 0.800 43 E CB -0.259 29.383 29.700 -0.098 0.000 0.746 43 E HN 0.503 nan 8.360 nan 0.000 0.452 44 I N 0.662 121.200 120.570 -0.053 0.000 2.151 44 I HA -0.306 3.864 4.170 0.000 0.000 0.243 44 I C 2.356 178.460 176.117 -0.022 0.000 1.080 44 I CA 1.485 62.757 61.300 -0.047 0.000 1.339 44 I CB -0.434 37.536 38.000 -0.048 0.000 1.039 44 I HN 0.077 nan 8.210 nan 0.000 0.409 45 T N 0.296 114.844 114.554 -0.010 0.000 2.788 45 T HA -0.220 4.130 4.350 0.000 0.000 0.268 45 T C 1.919 176.621 174.700 0.003 0.000 1.044 45 T CA 1.404 63.503 62.100 -0.002 0.000 1.139 45 T CB -0.165 68.706 68.868 0.004 0.000 0.867 45 T HN 0.310 nan 8.240 nan 0.000 0.454 46 K N 0.930 121.336 120.400 0.009 0.000 2.026 46 K HA -0.106 4.214 4.320 0.000 0.000 0.208 46 K C 2.469 179.075 176.600 0.009 0.000 1.048 46 K CA 1.243 57.539 56.287 0.016 0.000 0.929 46 K CB -0.044 32.475 32.500 0.031 0.000 0.713 46 K HN 0.212 nan 8.250 nan 0.000 0.439 47 R N 0.429 120.930 120.500 0.002 0.000 2.075 47 R HA -0.061 4.279 4.340 0.000 0.000 0.232 47 R C 2.489 178.787 176.300 -0.004 0.000 1.126 47 R CA 1.326 57.425 56.100 -0.002 0.000 0.963 47 R CB -0.355 29.937 30.300 -0.013 0.000 0.858 47 R HN 0.235 nan 8.270 nan 0.000 0.435 48 L N 0.238 121.457 121.223 -0.007 0.000 2.046 48 L HA -0.181 4.159 4.340 0.000 0.000 0.208 48 L C 2.365 179.234 176.870 -0.002 0.000 1.077 48 L CA 1.058 55.894 54.840 -0.006 0.000 0.747 48 L CB -0.407 41.647 42.059 -0.008 0.000 0.896 48 L HN 0.053 nan 8.230 nan 0.000 0.432 49 V N -0.215 119.699 119.914 0.000 0.000 2.515 49 V HA -0.265 3.855 4.120 0.000 0.000 0.250 49 V C 2.660 178.756 176.094 0.003 0.000 1.058 49 V CA 1.690 63.991 62.300 0.002 0.000 1.064 49 V CB -0.616 31.210 31.823 0.004 0.000 0.675 49 V HN 0.453 nan 8.190 nan 0.000 0.461 50 R N 0.029 120.531 120.500 0.004 0.000 2.066 50 R HA -0.106 4.234 4.340 0.000 0.000 0.232 50 R C 2.302 178.603 176.300 0.002 0.000 1.131 50 R CA 1.578 57.681 56.100 0.004 0.000 0.955 50 R CB -0.282 30.022 30.300 0.006 0.000 0.851 50 R HN 0.440 nan 8.270 nan 0.000 0.432 51 L N 0.469 121.692 121.223 0.000 0.000 2.042 51 L HA -0.152 4.188 4.340 0.000 0.000 0.210 51 L C 2.775 179.645 176.870 -0.001 0.000 1.076 51 L CA 1.442 56.281 54.840 -0.001 0.000 0.749 51 L CB -0.692 41.365 42.059 -0.003 0.000 0.893 51 L HN 0.342 nan 8.230 nan 0.000 0.432 52 A N -0.485 122.335 122.820 -0.001 0.000 1.930 52 A HA -0.220 4.100 4.320 0.000 0.000 0.217 52 A C 2.237 179.822 177.584 0.000 0.000 1.175 52 A CA 1.401 53.438 52.037 -0.000 0.000 0.627 52 A CB -0.403 18.597 19.000 -0.000 0.000 0.815 52 A HN 0.484 nan 8.150 nan 0.000 0.443 53 Q N -0.880 118.920 119.800 0.001 0.000 2.172 53 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 53 Q C 2.250 178.251 176.000 0.002 0.000 0.964 53 Q CA 1.425 57.229 55.803 0.002 0.000 0.855 53 Q CB -0.099 28.640 28.738 0.003 0.000 0.918 53 Q HN 0.780 nan 8.270 nan 0.000 0.444 54 Q N 0.380 120.181 119.800 0.002 0.000 1.994 54 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 54 Q C 0.847 176.847 176.000 0.001 0.000 0.976 54 Q CA 0.724 56.527 55.803 0.001 0.000 0.828 54 Q CB 0.188 28.927 28.738 0.002 0.000 0.894 54 Q HN 0.332 nan 8.270 nan 0.000 0.432 55 N N 0.180 118.881 118.700 0.000 0.000 2.482 55 N HA -0.012 4.728 4.740 0.000 0.000 0.220 55 N C 0.544 176.054 175.510 -0.000 0.000 1.255 55 N CA 0.567 53.617 53.050 -0.000 0.000 0.850 55 N CB 0.379 38.865 38.487 -0.001 0.000 1.127 55 N HN 0.325 nan 8.380 nan 0.000 0.475 56 M N -1.253 118.347 119.600 0.000 0.000 2.193 56 M HA 0.174 4.654 4.480 0.000 0.000 0.365 56 M C 0.164 176.464 176.300 0.001 0.000 0.877 56 M CA 0.133 55.433 55.300 0.000 0.000 1.077 56 M CB 0.948 33.549 32.600 0.001 0.000 1.967 56 M HN 0.141 nan 8.290 nan 0.000 0.668 57 G N 0.000 108.801 108.800 0.001 0.000 0.000 57 G HA2 0.000 3.960 3.960 0.000 0.000 0.000 57 G HA3 0.000 3.960 3.960 0.000 0.000 0.000 57 G CA 0.000 45.101 45.100 0.001 0.000 0.000 57 G HN 0.000 nan 8.290 nan 0.000 0.000