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 3c6n_1_A DATA FIRST_RESID 104 DATA SEQUENCE AANYLNIKNL LDLTCQTVAD MIKGKTPEEI RTTFNIKNDF TPEEEEEVRR DATA SEQUENCE ENQWAFE 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 104 A HA 0.000 nan 4.320 nan 0.000 0.244 104 A C 0.000 177.590 177.584 0.010 0.000 1.274 104 A CA 0.000 52.043 52.037 0.011 0.000 0.836 104 A CB 0.000 19.008 19.000 0.014 0.000 0.831 105 A N 2.349 125.179 122.820 0.015 0.000 3.054 105 A HA 0.994 5.315 4.320 0.001 0.000 0.207 105 A C 0.436 178.046 177.584 0.043 0.000 1.942 105 A CA 0.536 52.581 52.037 0.012 0.000 0.878 105 A CB 0.151 19.149 19.000 -0.004 0.000 1.860 105 A HN 2.684 nan 8.150 nan 0.000 0.706 106 N N -5.944 112.800 118.700 0.074 0.000 5.579 106 N HA 0.088 4.829 4.740 0.001 0.000 0.194 106 N C -1.012 174.565 175.510 0.111 0.000 1.092 106 N CA 0.231 53.348 53.050 0.111 0.000 0.755 106 N CB -0.328 38.194 38.487 0.059 0.000 1.645 106 N HN 0.655 nan 8.380 nan 0.000 0.523 107 Y N -0.964 119.337 120.300 0.000 0.000 2.560 107 Y HA 0.233 4.784 4.550 0.001 0.000 0.308 107 Y C 0.489 176.389 175.900 -0.000 0.000 0.945 107 Y CA 0.742 58.842 58.100 -0.000 0.000 0.911 107 Y CB -0.045 38.414 38.460 -0.001 0.000 1.405 107 Y HN 0.539 nan 8.280 nan 0.000 0.569 108 L N -2.195 119.152 121.223 0.206 0.000 2.803 108 L HA 0.524 4.864 4.340 0.001 0.000 0.246 108 L C 0.252 177.162 176.870 0.068 0.000 1.100 108 L CA 0.540 55.449 54.840 0.114 0.000 0.919 108 L CB 0.049 42.152 42.059 0.073 0.000 1.285 108 L HN 0.162 nan 8.230 nan 0.000 0.522 109 N N 0.531 119.272 118.700 0.067 0.000 3.249 109 N HA -0.091 4.650 4.740 0.001 0.000 0.247 109 N C -0.451 175.078 175.510 0.031 0.000 1.139 109 N CA -0.130 52.946 53.050 0.044 0.000 0.713 109 N CB -0.582 37.927 38.487 0.037 0.000 1.119 109 N HN 0.114 nan 8.380 nan 0.000 0.561 110 I N 2.179 122.768 120.570 0.031 0.000 2.268 110 I HA -0.014 4.156 4.170 0.001 0.000 0.298 110 I C 1.654 177.782 176.117 0.019 0.000 1.185 110 I CA 0.601 61.915 61.300 0.023 0.000 1.548 110 I CB -0.041 37.971 38.000 0.021 0.000 1.492 110 I HN 0.168 nan 8.210 nan 0.000 0.711 111 K N 3.264 123.673 120.400 0.016 0.000 2.144 111 K HA -0.277 4.043 4.320 0.001 0.000 0.209 111 K C 1.647 178.255 176.600 0.012 0.000 1.047 111 K CA 2.199 58.494 56.287 0.014 0.000 0.927 111 K CB -0.270 32.237 32.500 0.012 0.000 0.716 111 K HN 0.678 nan 8.250 nan 0.000 0.454 112 N N 0.895 119.602 118.700 0.012 0.000 2.188 112 N HA -0.180 4.560 4.740 0.001 0.000 0.184 112 N C 1.875 177.392 175.510 0.012 0.000 1.018 112 N CA 0.783 53.839 53.050 0.011 0.000 0.858 112 N CB -0.157 38.336 38.487 0.009 0.000 0.989 112 N HN 0.121 nan 8.380 nan 0.000 0.426 113 L N 0.090 121.321 121.223 0.013 0.000 2.209 113 L HA 0.204 4.544 4.340 0.001 0.000 0.207 113 L C 2.043 178.922 176.870 0.015 0.000 1.094 113 L CA 0.708 55.556 54.840 0.014 0.000 0.790 113 L CB -0.318 41.750 42.059 0.015 0.000 0.932 113 L HN 0.255 nan 8.230 nan 0.000 0.447 114 L N -0.080 121.152 121.223 0.016 0.000 1.991 114 L HA -0.338 4.002 4.340 0.001 0.000 0.221 114 L C 2.278 179.157 176.870 0.015 0.000 1.079 114 L CA 1.951 56.800 54.840 0.015 0.000 0.778 114 L CB -0.846 41.221 42.059 0.014 0.000 0.893 114 L HN 0.374 nan 8.230 nan 0.000 0.437 115 D N -0.370 120.038 120.400 0.013 0.000 2.133 115 D HA -0.238 4.402 4.640 0.001 0.000 0.195 115 D C 2.104 178.412 176.300 0.014 0.000 0.997 115 D CA 1.117 55.125 54.000 0.012 0.000 0.840 115 D CB -0.246 40.560 40.800 0.011 0.000 0.947 115 D HN 0.241 nan 8.370 nan 0.000 0.452 116 L N 1.202 122.433 121.223 0.013 0.000 2.017 116 L HA -0.156 4.184 4.340 0.001 0.000 0.208 116 L C 2.377 179.256 176.870 0.016 0.000 1.073 116 L CA 2.179 57.027 54.840 0.014 0.000 0.745 116 L CB -1.088 40.978 42.059 0.012 0.000 0.894 116 L HN 0.160 nan 8.230 nan 0.000 0.432 117 T N -2.489 112.075 114.554 0.017 0.000 2.701 117 T HA -0.181 4.169 4.350 0.001 0.000 0.263 117 T C 2.131 176.848 174.700 0.027 0.000 1.040 117 T CA 1.261 63.374 62.100 0.021 0.000 1.147 117 T CB -1.243 67.636 68.868 0.018 0.000 0.865 117 T HN 0.432 nan 8.240 nan 0.000 0.426 118 C N 1.663 120.978 119.300 0.026 0.000 2.376 118 C HA -0.108 4.352 4.460 0.001 0.000 0.275 118 C C 2.934 177.941 174.990 0.029 0.000 1.200 118 C CA 0.936 59.972 59.018 0.030 0.000 1.756 118 C CB -1.379 26.374 27.740 0.022 0.000 2.050 118 C HN 0.512 nan 8.230 nan 0.000 0.460 119 Q N 0.593 120.406 119.800 0.022 0.000 2.234 119 Q HA -0.162 4.179 4.340 0.001 0.000 0.206 119 Q C 2.194 178.208 176.000 0.024 0.000 0.980 119 Q CA 2.508 58.322 55.803 0.020 0.000 0.869 119 Q CB -0.369 28.378 28.738 0.015 0.000 0.912 119 Q HN 0.883 nan 8.270 nan 0.000 0.436 120 T N -4.116 110.456 114.554 0.029 0.000 3.023 120 T HA 0.125 4.475 4.350 0.001 0.000 0.249 120 T C 1.929 176.658 174.700 0.049 0.000 1.050 120 T CA 0.497 62.616 62.100 0.033 0.000 1.088 120 T CB -0.221 68.662 68.868 0.026 0.000 0.946 120 T HN -0.042 nan 8.240 nan 0.000 0.480 121 V N 2.521 122.471 119.914 0.060 0.000 2.261 121 V HA -0.090 4.030 4.120 0.001 0.000 0.246 121 V C 3.248 179.395 176.094 0.089 0.000 1.047 121 V CA 1.881 64.242 62.300 0.102 0.000 1.015 121 V CB -1.418 30.477 31.823 0.119 0.000 0.642 121 V HN 0.627 nan 8.190 nan 0.000 0.446 122 A N -0.215 122.638 122.820 0.055 0.000 1.958 122 A HA -0.360 3.961 4.320 0.001 0.000 0.221 122 A C 1.927 179.528 177.584 0.027 0.000 1.178 122 A CA 2.540 54.594 52.037 0.029 0.000 0.642 122 A CB -0.833 18.178 19.000 0.018 0.000 0.816 122 A HN 0.617 nan 8.150 nan 0.000 0.453 123 D N -1.905 118.516 120.400 0.035 0.000 2.312 123 D HA -0.057 4.583 4.640 0.001 0.000 0.211 123 D C 1.739 178.063 176.300 0.040 0.000 0.964 123 D CA 0.925 54.943 54.000 0.031 0.000 0.877 123 D CB -0.079 40.738 40.800 0.028 0.000 0.924 123 D HN 0.376 nan 8.370 nan 0.000 0.515 124 M N -0.272 119.366 119.600 0.063 0.000 2.149 124 M HA -0.073 4.408 4.480 0.001 0.000 0.261 124 M C 1.365 177.698 176.300 0.054 0.000 1.064 124 M CA 1.502 56.854 55.300 0.087 0.000 1.102 124 M CB 0.060 32.766 32.600 0.176 0.000 1.369 124 M HN 0.091 nan 8.290 nan 0.000 0.408 125 I N -1.311 119.270 120.570 0.019 0.000 2.927 125 I HA -0.064 4.106 4.170 0.001 0.000 0.268 125 I C 0.505 176.610 176.117 -0.019 0.000 1.153 125 I CA 0.001 61.284 61.300 -0.028 0.000 1.459 125 I CB -0.174 37.783 38.000 -0.072 0.000 1.149 125 I HN 0.009 nan 8.210 nan 0.000 0.443 126 K N 1.849 122.246 120.400 -0.005 0.000 2.436 126 K HA 0.147 4.467 4.320 0.001 0.000 0.275 126 K C 0.913 177.514 176.600 0.001 0.000 0.999 126 K CA 0.757 57.042 56.287 -0.003 0.000 0.980 126 K CB 0.059 32.560 32.500 0.002 0.000 0.919 126 K HN 0.375 nan 8.250 nan 0.000 0.484 127 G N 2.048 110.848 108.800 -0.000 0.000 2.225 127 G HA2 -0.253 3.708 3.960 0.001 0.000 0.267 127 G HA3 -0.253 3.708 3.960 0.001 0.000 0.267 127 G C -0.402 174.499 174.900 0.003 0.000 1.024 127 G CA 0.359 45.461 45.100 0.003 0.000 0.784 127 G HN 0.444 nan 8.290 nan 0.000 0.507 128 K N 0.750 121.148 120.400 -0.004 0.000 2.378 128 K HA 0.598 4.918 4.320 0.001 0.000 0.252 128 K C 0.852 177.446 176.600 -0.010 0.000 0.931 128 K CA -0.063 56.222 56.287 -0.004 0.000 0.794 128 K CB 1.393 33.890 32.500 -0.005 0.000 1.181 128 K HN 0.427 nan 8.250 nan 0.000 0.425 129 T N -1.057 113.494 114.554 -0.004 0.000 2.663 129 T HA 0.085 4.435 4.350 0.001 0.000 0.325 129 T C -1.637 173.056 174.700 -0.012 0.000 1.059 129 T CA -0.752 61.345 62.100 -0.005 0.000 1.039 129 T CB 0.046 68.915 68.868 0.001 0.000 0.996 129 T HN 0.217 nan 8.240 nan 0.000 0.539 130 P HA 0.033 nan 4.420 nan 0.000 0.223 130 P C 1.366 178.667 177.300 0.001 0.000 1.151 130 P CA 0.592 63.687 63.100 -0.009 0.000 0.787 130 P CB 0.104 31.805 31.700 0.002 0.000 0.788 131 E N 0.779 120.984 120.200 0.008 0.000 2.016 131 E HA -0.157 4.194 4.350 0.001 0.000 0.190 131 E C 1.900 178.512 176.600 0.019 0.000 0.985 131 E CA 1.400 57.811 56.400 0.018 0.000 0.802 131 E CB -0.846 28.865 29.700 0.019 0.000 0.762 131 E HN 0.156 nan 8.360 nan 0.000 0.448 132 E N 0.068 120.277 120.200 0.015 0.000 2.108 132 E HA -0.249 4.101 4.350 0.001 0.000 0.203 132 E C 2.232 178.848 176.600 0.026 0.000 1.022 132 E CA 1.638 58.052 56.400 0.023 0.000 0.823 132 E CB -0.343 29.367 29.700 0.017 0.000 0.744 132 E HN 0.316 nan 8.360 nan 0.000 0.456 133 I N 0.407 120.969 120.570 -0.012 0.000 2.076 133 I HA -0.319 3.851 4.170 0.001 0.000 0.237 133 I C 2.775 178.883 176.117 -0.016 0.000 1.059 133 I CA 1.408 62.663 61.300 -0.073 0.000 1.317 133 I CB -0.309 37.584 38.000 -0.178 0.000 1.037 133 I HN 0.026 nan 8.210 nan 0.000 0.398 134 R N 0.228 120.724 120.500 -0.006 0.000 2.103 134 R HA -0.189 4.151 4.340 0.001 0.000 0.242 134 R C 2.235 178.593 176.300 0.097 0.000 1.142 134 R CA 2.159 58.286 56.100 0.046 0.000 0.960 134 R CB -0.397 29.925 30.300 0.037 0.000 0.858 134 R HN 0.330 nan 8.270 nan 0.000 0.439 135 T N 0.138 114.739 114.554 0.079 0.000 2.474 135 T HA -0.188 4.163 4.350 0.001 0.000 0.254 135 T C 1.111 175.888 174.700 0.129 0.000 1.191 135 T CA 2.093 64.243 62.100 0.083 0.000 1.231 135 T CB -0.549 68.355 68.868 0.060 0.000 0.865 135 T HN 0.596 nan 8.240 nan 0.000 0.398 136 T N -0.657 113.982 114.554 0.142 0.000 4.597 136 T HA 0.131 4.481 4.350 0.001 0.000 0.214 136 T C 0.223 175.132 174.700 0.348 0.000 0.868 136 T CA 0.252 62.458 62.100 0.177 0.000 1.157 136 T CB -1.247 67.714 68.868 0.154 0.000 1.378 136 T HN 0.461 nan 8.240 nan 0.000 1.011 137 F N 0.658 120.611 119.950 0.005 0.000 2.228 137 F HA 0.081 4.608 4.527 0.001 0.000 0.468 137 F C 0.669 176.471 175.800 0.002 0.000 0.874 137 F CA -0.013 57.989 58.000 0.004 0.000 0.620 137 F CB -0.779 38.225 39.000 0.006 0.000 1.352 137 F HN 0.530 nan 8.300 nan 0.000 0.483 138 N N 1.729 120.536 118.700 0.179 0.000 2.727 138 N HA -0.170 4.570 4.740 0.001 0.000 0.251 138 N C -0.919 174.660 175.510 0.115 0.000 1.040 138 N CA 0.556 53.666 53.050 0.100 0.000 0.712 138 N CB -0.668 37.844 38.487 0.041 0.000 0.912 138 N HN 0.192 nan 8.380 nan 0.000 0.545 139 I N -0.150 120.510 120.570 0.149 0.000 2.532 139 I HA 0.244 4.414 4.170 0.001 0.000 0.292 139 I C 0.919 177.069 176.117 0.055 0.000 1.014 139 I CA -0.187 61.168 61.300 0.092 0.000 1.340 139 I CB 1.316 39.362 38.000 0.077 0.000 1.422 139 I HN 0.107 nan 8.210 nan 0.000 0.528 140 K N 3.676 124.093 120.400 0.029 0.000 2.182 140 K HA 0.247 4.568 4.320 0.001 0.000 0.262 140 K C -0.124 176.481 176.600 0.009 0.000 0.957 140 K CA -0.759 55.540 56.287 0.020 0.000 0.842 140 K CB 0.578 33.086 32.500 0.013 0.000 1.099 140 K HN 0.384 nan 8.250 nan 0.000 0.438 141 N N 2.822 121.540 118.700 0.029 0.000 2.438 141 N HA -0.077 4.663 4.740 0.001 0.000 0.267 141 N C -0.638 174.879 175.510 0.011 0.000 1.222 141 N CA 0.316 53.397 53.050 0.050 0.000 0.930 141 N CB 0.528 39.069 38.487 0.089 0.000 1.083 141 N HN 0.538 nan 8.380 nan 0.000 0.476 142 D N 3.688 124.041 120.400 -0.078 0.000 2.755 142 D HA 0.059 4.700 4.640 0.001 0.000 0.257 142 D C -0.677 175.512 176.300 -0.184 0.000 1.291 142 D CA -0.293 53.627 54.000 -0.133 0.000 0.836 142 D CB -0.970 39.728 40.800 -0.171 0.000 1.059 142 D HN 0.231 nan 8.370 nan 0.000 0.486 143 F N 1.671 121.615 119.950 -0.009 0.000 2.402 143 F HA 0.199 4.726 4.527 0.001 0.000 0.355 143 F C 1.066 176.859 175.800 -0.012 0.000 1.123 143 F CA -1.061 56.932 58.000 -0.012 0.000 1.021 143 F CB 1.806 40.797 39.000 -0.015 0.000 1.160 143 F HN -0.161 nan 8.300 nan 0.000 0.451 144 T N 1.589 116.259 114.554 0.193 0.000 2.928 144 T HA 0.089 4.439 4.350 0.001 0.000 0.305 144 T C -2.011 172.745 174.700 0.093 0.000 1.035 144 T CA -1.304 60.860 62.100 0.107 0.000 1.145 144 T CB 1.123 70.035 68.868 0.073 0.000 0.963 144 T HN 0.309 nan 8.240 nan 0.000 0.545 145 P HA 0.002 nan 4.420 nan 0.000 0.242 145 P C 1.385 178.675 177.300 -0.017 0.000 1.197 145 P CA 0.301 63.408 63.100 0.012 0.000 0.765 145 P CB 0.094 31.796 31.700 0.004 0.000 0.936 146 E N 1.178 121.377 120.200 -0.001 0.000 2.072 146 E HA -0.200 4.150 4.350 0.001 0.000 0.191 146 E C 1.376 177.954 176.600 -0.037 0.000 0.985 146 E CA 1.403 57.790 56.400 -0.021 0.000 0.801 146 E CB -0.859 28.835 29.700 -0.011 0.000 0.750 146 E HN 0.395 nan 8.360 nan 0.000 0.452 147 E N 1.591 121.795 120.200 0.007 0.000 2.072 147 E HA -0.152 4.199 4.350 0.001 0.000 0.190 147 E C 1.758 178.230 176.600 -0.214 0.000 0.982 147 E CA 1.032 57.432 56.400 0.001 0.000 0.803 147 E CB -0.270 29.546 29.700 0.193 0.000 0.755 147 E HN 0.410 nan 8.360 nan 0.000 0.453 148 E N 1.146 121.170 120.200 -0.293 0.000 2.428 148 E HA -0.174 4.176 4.350 0.001 0.000 0.199 148 E C 1.184 177.584 176.600 -0.334 0.000 1.172 148 E CA 0.431 56.482 56.400 -0.582 0.000 0.941 148 E CB 0.067 29.547 29.700 -0.368 0.000 1.001 148 E HN 0.262 nan 8.360 nan 0.000 0.501 149 E N -0.369 119.686 120.200 -0.242 0.000 2.633 149 E HA -0.040 4.310 4.350 0.001 0.000 0.214 149 E C 1.212 177.691 176.600 -0.202 0.000 0.898 149 E CA -0.018 56.269 56.400 -0.188 0.000 1.422 149 E CB 0.091 29.714 29.700 -0.129 0.000 1.398 149 E HN 0.360 nan 8.360 nan 0.000 0.752 150 E N 0.454 120.542 120.200 -0.188 0.000 2.158 150 E HA -0.034 4.316 4.350 0.001 0.000 0.191 150 E C 1.894 178.383 176.600 -0.184 0.000 0.982 150 E CA 0.615 56.906 56.400 -0.182 0.000 0.823 150 E CB 0.557 30.184 29.700 -0.122 0.000 0.766 150 E HN 0.049 nan 8.360 nan 0.000 0.468 151 V N 1.013 120.806 119.914 -0.201 0.000 2.323 151 V HA -0.206 3.915 4.120 0.001 0.000 0.244 151 V C 2.555 178.559 176.094 -0.151 0.000 1.041 151 V CA 1.869 64.064 62.300 -0.175 0.000 1.025 151 V CB -0.435 31.218 31.823 -0.282 0.000 0.656 151 V HN 0.223 nan 8.190 nan 0.000 0.451 152 R N 0.354 120.740 120.500 -0.191 0.000 2.083 152 R HA -0.237 4.103 4.340 0.001 0.000 0.237 152 R C 2.513 178.723 176.300 -0.151 0.000 1.137 152 R CA 2.183 58.202 56.100 -0.135 0.000 0.951 152 R CB -0.345 29.876 30.300 -0.131 0.000 0.851 152 R HN 0.557 nan 8.270 nan 0.000 0.434 153 R N 0.620 120.949 120.500 -0.285 0.000 2.083 153 R HA -0.185 4.155 4.340 0.001 0.000 0.237 153 R C 1.940 177.974 176.300 -0.443 0.000 1.137 153 R CA 2.150 57.899 56.100 -0.584 0.000 0.951 153 R CB -0.388 29.381 30.300 -0.884 0.000 0.851 153 R HN 0.352 nan 8.270 nan 0.000 0.434 154 E N 0.143 120.212 120.200 -0.218 0.000 2.023 154 E HA -0.230 4.121 4.350 0.001 0.000 0.196 154 E C 1.711 178.387 176.600 0.128 0.000 1.003 154 E CA 1.726 58.109 56.400 -0.029 0.000 0.809 154 E CB -0.090 29.674 29.700 0.108 0.000 0.755 154 E HN 0.409 nan 8.360 nan 0.000 0.449 155 N N 0.649 119.470 118.700 0.201 0.000 2.027 155 N HA -0.238 4.502 4.740 0.001 0.000 0.200 155 N C 1.805 177.432 175.510 0.195 0.000 1.042 155 N CA 1.868 55.069 53.050 0.251 0.000 0.871 155 N CB -0.446 38.104 38.487 0.104 0.000 1.063 155 N HN 0.275 nan 8.380 nan 0.000 0.438 156 Q N -1.808 118.085 119.800 0.155 0.000 2.269 156 Q HA -0.005 4.336 4.340 0.001 0.000 0.201 156 Q C 1.532 177.708 176.000 0.293 0.000 0.946 156 Q CA 0.645 56.573 55.803 0.208 0.000 0.877 156 Q CB -0.024 28.852 28.738 0.230 0.000 0.963 156 Q HN 0.469 nan 8.270 nan 0.000 0.472 157 W N -0.166 121.093 121.300 -0.069 0.000 2.576 157 W HA 0.251 4.911 4.660 0.001 0.000 0.275 157 W C 1.917 178.327 176.519 -0.181 0.000 1.241 157 W CA 0.572 57.855 57.345 -0.103 0.000 1.328 157 W CB -0.174 29.228 29.460 -0.097 0.000 1.092 157 W HN 0.109 nan 8.180 nan 0.000 0.586 158 A N -2.279 120.487 122.820 -0.091 0.000 2.127 158 A HA 0.272 4.593 4.320 0.001 0.000 0.204 158 A C 0.787 178.000 177.584 -0.619 0.000 1.243 158 A CA 0.321 52.062 52.037 -0.492 0.000 0.887 158 A CB -0.435 18.020 19.000 -0.909 0.000 0.933 158 A HN 0.097 nan 8.150 nan 0.000 0.479 159 F N 0.144 120.132 119.950 0.063 0.000 2.850 159 F HA 0.463 4.990 4.527 0.000 0.000 0.329 159 F C 0.404 176.225 175.800 0.034 0.000 1.182 159 F CA -0.110 57.913 58.000 0.038 0.000 1.270 159 F CB 0.590 39.606 39.000 0.026 0.000 0.979 159 F HN 0.147 nan 8.300 nan 0.000 0.506 160 E N 0.000 120.277 120.200 0.129 0.000 2.725 160 E HA 0.000 4.350 4.350 0.001 0.000 0.291 160 E CA 0.000 56.460 56.400 0.100 0.000 0.976 160 E CB 0.000 29.763 29.700 0.104 0.000 0.812 160 E HN 0.000 nan 8.360 nan 0.000 0.440