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 2oyi_1_D DATA FIRST_RESID 133 DATA SEQUENCE IQLLQKNVRA QLVDMKRLEV DIDIKIRSCR GSCSRALARE VDLKDYEDQQ DATA SEQUENCE KQLEQV 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 133 I HA 0.000 nan 4.170 nan 0.000 0.288 133 I C 0.000 176.119 176.117 0.003 0.000 1.063 133 I CA 0.000 61.301 61.300 0.003 0.000 1.566 133 I CB 0.000 38.001 38.000 0.002 0.000 1.214 134 Q N 2.800 122.602 119.800 0.002 0.000 2.259 134 Q HA 0.147 4.487 4.340 0.000 0.000 0.228 134 Q C 1.091 177.093 176.000 0.003 0.000 0.909 134 Q CA 0.417 56.222 55.803 0.002 0.000 0.948 134 Q CB 0.695 29.434 28.738 0.002 0.000 1.041 134 Q HN 0.548 nan 8.270 nan 0.000 0.445 135 L N -0.903 120.322 121.223 0.003 0.000 2.953 135 L HA 0.178 4.518 4.340 0.000 0.000 0.258 135 L C 1.404 178.276 176.870 0.004 0.000 1.100 135 L CA 0.320 55.162 54.840 0.003 0.000 0.971 135 L CB -0.253 41.808 42.059 0.003 0.000 1.474 135 L HN 0.390 nan 8.230 nan 0.000 0.540 136 L N 0.700 121.926 121.223 0.005 0.000 1.956 136 L HA -0.298 4.042 4.340 0.000 0.000 0.216 136 L C 2.209 179.083 176.870 0.007 0.000 1.073 136 L CA 1.971 56.814 54.840 0.006 0.000 0.762 136 L CB -0.841 41.222 42.059 0.006 0.000 0.889 136 L HN 0.343 nan 8.230 nan 0.000 0.433 137 Q N 0.128 119.932 119.800 0.006 0.000 2.444 137 Q HA -0.362 3.978 4.340 0.000 0.000 0.296 137 Q C 1.871 177.876 176.000 0.008 0.000 1.005 137 Q CA 2.823 58.630 55.803 0.006 0.000 0.970 137 Q CB -0.645 28.096 28.738 0.005 0.000 0.957 137 Q HN 0.472 nan 8.270 nan 0.000 0.593 138 K N 0.336 120.741 120.400 0.007 0.000 2.288 138 K HA -0.084 4.236 4.320 0.000 0.000 0.201 138 K C 1.407 178.012 176.600 0.008 0.000 1.048 138 K CA 1.605 57.897 56.287 0.008 0.000 0.956 138 K CB -0.377 32.127 32.500 0.006 0.000 0.746 138 K HN 0.300 nan 8.250 nan 0.000 0.461 139 N N 2.217 120.922 118.700 0.008 0.000 2.223 139 N HA -0.150 4.590 4.740 0.000 0.000 0.185 139 N C 1.738 177.254 175.510 0.010 0.000 1.016 139 N CA 1.553 54.607 53.050 0.008 0.000 0.863 139 N CB 0.017 38.508 38.487 0.007 0.000 0.983 139 N HN 0.160 nan 8.380 nan 0.000 0.429 140 V N -1.913 118.008 119.914 0.013 0.000 2.951 140 V HA 0.143 4.263 4.120 0.000 0.000 0.255 140 V C 2.157 178.264 176.094 0.022 0.000 1.088 140 V CA 1.060 63.370 62.300 0.017 0.000 1.109 140 V CB -0.793 31.041 31.823 0.018 0.000 0.724 140 V HN 0.220 nan 8.190 nan 0.000 0.471 141 R N 1.218 121.730 120.500 0.019 0.000 2.328 141 R HA 0.103 4.443 4.340 0.000 0.000 0.207 141 R C 1.730 178.040 176.300 0.018 0.000 1.056 141 R CA 1.035 57.148 56.100 0.022 0.000 1.016 141 R CB -0.267 30.043 30.300 0.017 0.000 0.872 141 R HN 0.602 nan 8.270 nan 0.000 0.471 142 A N -0.347 122.482 122.820 0.014 0.000 2.307 142 A HA 0.020 4.340 4.320 0.000 0.000 0.218 142 A C 1.529 179.120 177.584 0.011 0.000 1.228 142 A CA 0.013 52.055 52.037 0.009 0.000 0.857 142 A CB 0.164 19.168 19.000 0.007 0.000 0.897 142 A HN 0.469 nan 8.150 nan 0.000 0.495 143 Q N -1.319 118.494 119.800 0.020 0.000 2.404 143 Q HA 0.283 4.623 4.340 0.000 0.000 0.262 143 Q C 1.593 177.619 176.000 0.045 0.000 0.846 143 Q CA -0.003 55.816 55.803 0.028 0.000 0.978 143 Q CB 0.132 28.889 28.738 0.032 0.000 1.156 143 Q HN 0.550 nan 8.270 nan 0.000 0.548 144 L N 0.712 121.969 121.223 0.056 0.000 2.201 144 L HA -0.100 4.240 4.340 0.000 0.000 0.212 144 L C 1.726 178.621 176.870 0.043 0.000 1.105 144 L CA 0.810 55.708 54.840 0.097 0.000 0.775 144 L CB 0.129 42.242 42.059 0.091 0.000 0.913 144 L HN 0.134 nan 8.230 nan 0.000 0.440 145 V N -1.247 118.670 119.914 0.005 0.000 2.426 145 V HA -0.201 3.919 4.120 0.000 0.000 0.242 145 V C 2.169 178.228 176.094 -0.059 0.000 1.036 145 V CA 1.545 63.825 62.300 -0.034 0.000 1.044 145 V CB -0.502 31.309 31.823 -0.020 0.000 0.688 145 V HN 0.420 nan 8.190 nan 0.000 0.462 146 D N 0.035 120.416 120.400 -0.032 0.000 2.158 146 D HA -0.208 4.432 4.640 0.000 0.000 0.197 146 D C 2.122 178.388 176.300 -0.056 0.000 0.995 146 D CA 1.521 55.502 54.000 -0.033 0.000 0.846 146 D CB 0.080 40.874 40.800 -0.010 0.000 0.941 146 D HN 0.206 nan 8.370 nan 0.000 0.456 147 M N 0.264 119.830 119.600 -0.057 0.000 2.156 147 M HA -0.080 4.400 4.480 0.000 0.000 0.264 147 M C 2.160 178.261 176.300 -0.333 0.000 1.067 147 M CA 0.827 56.074 55.300 -0.090 0.000 1.131 147 M CB -0.868 31.779 32.600 0.078 0.000 1.368 147 M HN -0.062 nan 8.290 nan 0.000 0.416 148 K N 0.004 120.119 120.400 -0.475 0.000 2.360 148 K HA -0.135 4.185 4.320 0.000 0.000 0.201 148 K C 1.972 178.378 176.600 -0.323 0.000 1.046 148 K CA 1.061 56.963 56.287 -0.641 0.000 0.945 148 K CB 0.236 32.478 32.500 -0.429 0.000 0.750 148 K HN 0.239 nan 8.250 nan 0.000 0.464 149 R N -0.432 119.947 120.500 -0.201 0.000 2.087 149 R HA 0.018 4.358 4.340 0.000 0.000 0.216 149 R C 2.138 178.380 176.300 -0.098 0.000 1.114 149 R CA 0.405 56.432 56.100 -0.121 0.000 1.002 149 R CB -0.188 30.064 30.300 -0.080 0.000 0.903 149 R HN 0.082 nan 8.270 nan 0.000 0.445 150 L N 1.684 122.853 121.223 -0.089 0.000 2.191 150 L HA -0.123 4.217 4.340 0.000 0.000 0.212 150 L C 2.030 178.867 176.870 -0.054 0.000 1.103 150 L CA 1.790 56.598 54.840 -0.054 0.000 0.769 150 L CB -0.297 41.743 42.059 -0.032 0.000 0.908 150 L HN 0.065 nan 8.230 nan 0.000 0.438 151 E N -0.898 119.243 120.200 -0.097 0.000 2.077 151 E HA -0.166 4.184 4.350 0.000 0.000 0.193 151 E C 2.025 178.593 176.600 -0.053 0.000 0.989 151 E CA 1.824 58.182 56.400 -0.071 0.000 0.800 151 E CB -0.261 29.339 29.700 -0.166 0.000 0.746 151 E HN 0.331 nan 8.360 nan 0.000 0.452 152 V N 0.685 120.552 119.914 -0.078 0.000 2.379 152 V HA -0.175 3.945 4.120 0.000 0.000 0.245 152 V C 2.041 178.115 176.094 -0.033 0.000 1.044 152 V CA 1.955 64.224 62.300 -0.051 0.000 1.036 152 V CB -0.654 31.132 31.823 -0.061 0.000 0.664 152 V HN 0.344 nan 8.190 nan 0.000 0.453 153 D N 0.319 120.697 120.400 -0.036 0.000 2.104 153 D HA -0.185 4.455 4.640 0.000 0.000 0.194 153 D C 1.972 178.262 176.300 -0.015 0.000 0.994 153 D CA 1.617 55.603 54.000 -0.024 0.000 0.830 153 D CB -0.168 40.618 40.800 -0.025 0.000 0.959 153 D HN 0.413 nan 8.370 nan 0.000 0.452 154 I N 0.028 120.590 120.570 -0.013 0.000 2.361 154 I HA -0.202 3.968 4.170 0.000 0.000 0.251 154 I C 1.901 178.017 176.117 -0.002 0.000 1.133 154 I CA 1.212 62.509 61.300 -0.005 0.000 1.413 154 I CB -0.242 37.759 38.000 0.001 0.000 1.073 154 I HN 0.107 nan 8.210 nan 0.000 0.424 155 D N 1.184 121.582 120.400 -0.003 0.000 2.117 155 D HA -0.140 4.500 4.640 0.000 0.000 0.198 155 D C 2.166 178.465 176.300 -0.002 0.000 0.982 155 D CA 1.297 55.297 54.000 0.000 0.000 0.828 155 D CB 0.050 40.851 40.800 0.001 0.000 0.967 155 D HN 0.260 nan 8.370 nan 0.000 0.464 156 I N 0.113 120.679 120.570 -0.006 0.000 2.202 156 I HA -0.189 3.981 4.170 0.000 0.000 0.242 156 I C 2.345 178.460 176.117 -0.004 0.000 1.091 156 I CA 0.886 62.183 61.300 -0.005 0.000 1.368 156 I CB -0.211 37.784 38.000 -0.009 0.000 1.058 156 I HN -0.010 nan 8.210 nan 0.000 0.410 157 K N 0.706 121.103 120.400 -0.004 0.000 2.148 157 K HA -0.055 4.265 4.320 0.000 0.000 0.204 157 K C 2.080 178.679 176.600 -0.001 0.000 1.050 157 K CA 1.210 57.496 56.287 -0.003 0.000 0.942 157 K CB -0.026 32.471 32.500 -0.004 0.000 0.724 157 K HN 0.359 nan 8.250 nan 0.000 0.446 158 I N 0.426 120.996 120.570 0.000 0.000 2.353 158 I HA -0.221 3.949 4.170 0.000 0.000 0.248 158 I C 2.627 178.744 176.117 0.002 0.000 1.119 158 I CA 0.842 62.143 61.300 0.002 0.000 1.417 158 I CB -0.163 37.839 38.000 0.004 0.000 1.078 158 I HN 0.129 nan 8.210 nan 0.000 0.421 159 R N 1.090 121.590 120.500 0.001 0.000 2.115 159 R HA -0.138 4.202 4.340 0.000 0.000 0.230 159 R C 2.314 178.614 176.300 0.000 0.000 1.111 159 R CA 1.610 57.711 56.100 0.001 0.000 0.976 159 R CB -0.073 30.227 30.300 0.001 0.000 0.870 159 R HN 0.396 nan 8.270 nan 0.000 0.445 160 S N -1.272 114.428 115.700 -0.000 0.000 2.595 160 S HA -0.074 4.396 4.470 0.000 0.000 0.235 160 S C 1.588 176.188 174.600 -0.000 0.000 0.974 160 S CA 0.591 58.790 58.200 -0.001 0.000 0.942 160 S CB -0.291 62.908 63.200 -0.002 0.000 0.766 160 S HN 0.403 nan 8.310 nan 0.000 0.536 161 C N 0.853 120.153 119.300 0.000 0.000 2.780 161 C HA 0.374 4.834 4.460 0.000 0.000 0.267 161 C C 2.583 177.574 174.990 0.001 0.000 1.266 161 C CA -0.322 58.696 59.018 0.001 0.000 1.709 161 C CB -1.179 26.562 27.740 0.001 0.000 1.975 161 C HN 0.702 nan 8.230 nan 0.000 0.582 162 R N 1.492 121.992 120.500 0.001 0.000 2.127 162 R HA -0.101 4.239 4.340 0.000 0.000 0.238 162 R C 1.879 178.179 176.300 0.001 0.000 1.134 162 R CA 1.732 57.832 56.100 0.001 0.000 0.975 162 R CB -0.375 29.926 30.300 0.001 0.000 0.865 162 R HN 0.543 nan 8.270 nan 0.000 0.447 163 G N -1.433 107.367 108.800 0.000 0.000 3.141 163 G HA2 -0.035 3.925 3.960 0.000 0.000 0.218 163 G HA3 -0.035 3.925 3.960 0.000 0.000 0.218 163 G C 0.765 175.665 174.900 0.000 0.000 1.170 163 G CA 0.243 45.343 45.100 0.000 0.000 0.769 163 G HN 0.336 nan 8.290 nan 0.000 0.546 164 S N -1.711 113.989 115.700 0.000 0.000 2.882 164 S HA 0.160 4.630 4.470 0.000 0.000 0.258 164 S C 0.853 175.454 174.600 0.001 0.000 1.081 164 S CA 0.057 58.257 58.200 0.000 0.000 0.886 164 S CB 0.191 63.391 63.200 0.000 0.000 0.855 164 S HN 0.256 nan 8.310 nan 0.000 0.467 165 C N 2.470 121.770 119.300 0.001 0.000 2.345 165 C HA 0.586 5.046 4.460 0.000 0.000 0.370 165 C C 2.348 177.339 174.990 0.001 0.000 1.209 165 C CA 0.041 59.059 59.018 0.001 0.000 2.133 165 C CB 1.114 28.854 27.740 0.001 0.000 2.293 165 C HN 0.695 nan 8.230 nan 0.000 0.544 166 S N 0.721 116.422 115.700 0.001 0.000 2.407 166 S HA -0.193 4.277 4.470 0.000 0.000 0.235 166 S C 0.537 175.138 174.600 0.001 0.000 1.036 166 S CA 1.530 59.730 58.200 0.001 0.000 1.013 166 S CB -0.346 62.855 63.200 0.001 0.000 0.820 166 S HN 0.933 nan 8.310 nan 0.000 0.476 167 R N -0.804 119.697 120.500 0.002 0.000 2.752 167 R HA 0.707 5.047 4.340 0.000 0.000 0.277 167 R C -2.101 174.200 176.300 0.002 0.000 1.024 167 R CA -0.665 55.436 56.100 0.002 0.000 0.866 167 R CB 0.702 31.004 30.300 0.002 0.000 1.278 167 R HN 0.214 nan 8.270 nan 0.000 0.473 168 A N 1.478 124.300 122.820 0.002 0.000 2.319 168 A HA 0.518 4.838 4.320 0.000 0.000 0.310 168 A C -0.897 176.689 177.584 0.004 0.000 1.152 168 A CA -0.770 51.269 52.037 0.003 0.000 0.783 168 A CB 1.313 20.314 19.000 0.003 0.000 1.184 168 A HN 0.659 nan 8.150 nan 0.000 0.474 169 L N 2.712 123.937 121.223 0.004 0.000 2.628 169 L HA 0.317 4.657 4.340 0.000 0.000 0.274 169 L C 0.803 177.676 176.870 0.006 0.000 1.209 169 L CA 0.796 55.639 54.840 0.005 0.000 0.930 169 L CB 0.255 42.318 42.059 0.006 0.000 1.183 169 L HN 0.835 nan 8.230 nan 0.000 0.492 170 A N 7.463 130.286 122.820 0.006 0.000 2.409 170 A HA 0.632 4.952 4.320 0.000 0.000 0.267 170 A C 0.159 177.747 177.584 0.008 0.000 1.127 170 A CA -0.270 51.771 52.037 0.006 0.000 0.795 170 A CB 0.046 19.050 19.000 0.005 0.000 1.061 170 A HN 0.890 nan 8.150 nan 0.000 0.502 171 R N 1.474 121.979 120.500 0.009 0.000 2.844 171 R HA 0.771 5.111 4.340 0.000 0.000 0.264 171 R C -1.456 174.853 176.300 0.014 0.000 1.077 171 R CA -0.895 55.212 56.100 0.012 0.000 0.953 171 R CB 1.192 31.501 30.300 0.015 0.000 1.272 171 R HN 0.682 nan 8.270 nan 0.000 0.447 172 E N 0.223 120.434 120.200 0.019 0.000 2.412 172 E HA 0.494 4.844 4.350 0.000 0.000 0.279 172 E C -1.377 175.243 176.600 0.033 0.000 0.984 172 E CA -1.244 55.169 56.400 0.022 0.000 0.788 172 E CB 2.552 32.263 29.700 0.019 0.000 1.277 172 E HN 0.225 nan 8.360 nan 0.000 0.455 173 V N 1.346 121.283 119.914 0.038 0.000 2.384 173 V HA 0.200 4.320 4.120 0.000 0.000 0.287 173 V C -0.674 175.465 176.094 0.074 0.000 1.020 173 V CA -0.689 61.647 62.300 0.061 0.000 0.850 173 V CB 1.488 33.339 31.823 0.047 0.000 0.987 173 V HN 0.728 nan 8.190 nan 0.000 0.436 174 D N 4.948 125.410 120.400 0.103 0.000 2.468 174 D HA 0.163 4.803 4.640 0.000 0.000 0.218 174 D C 0.855 177.261 176.300 0.177 0.000 1.155 174 D CA -0.312 53.744 54.000 0.094 0.000 0.924 174 D CB 1.195 42.021 40.800 0.044 0.000 1.029 174 D HN 0.257 nan 8.370 nan 0.000 0.515 175 L N 3.388 124.694 121.223 0.139 0.000 2.056 175 L HA -0.134 4.206 4.340 0.000 0.000 0.207 175 L C 2.233 179.202 176.870 0.165 0.000 1.078 175 L CA 1.148 56.087 54.840 0.165 0.000 0.749 175 L CB -0.887 41.219 42.059 0.079 0.000 0.901 175 L HN 0.335 nan 8.230 nan 0.000 0.433 176 K N 0.680 121.134 120.400 0.090 0.000 2.032 176 K HA -0.236 4.084 4.320 0.000 0.000 0.209 176 K C 1.892 178.514 176.600 0.037 0.000 1.048 176 K CA 1.636 57.956 56.287 0.056 0.000 0.927 176 K CB -0.524 31.992 32.500 0.028 0.000 0.712 176 K HN 0.146 nan 8.250 nan 0.000 0.441 177 D N -1.105 119.291 120.400 -0.005 0.000 2.239 177 D HA -0.212 4.428 4.640 0.000 0.000 0.202 177 D C 1.385 177.575 176.300 -0.185 0.000 0.993 177 D CA 1.247 55.177 54.000 -0.117 0.000 0.874 177 D CB 0.065 40.748 40.800 -0.196 0.000 0.922 177 D HN 0.333 nan 8.370 nan 0.000 0.464 178 Y N 0.845 121.145 120.300 -0.000 0.000 2.266 178 Y HA 0.095 4.645 4.550 -0.000 0.000 0.294 178 Y C 2.525 178.425 175.900 -0.000 0.000 1.127 178 Y CA 0.608 58.708 58.100 -0.000 0.000 1.140 178 Y CB -0.245 38.215 38.460 -0.000 0.000 1.071 178 Y HN -0.053 nan 8.280 nan 0.000 0.525 179 E N 0.255 120.555 120.200 0.167 0.000 2.160 179 E HA -0.217 4.133 4.350 0.000 0.000 0.195 179 E C 1.311 177.944 176.600 0.054 0.000 0.991 179 E CA 1.399 57.853 56.400 0.091 0.000 0.810 179 E CB -0.133 29.607 29.700 0.066 0.000 0.742 179 E HN 0.518 nan 8.360 nan 0.000 0.466 180 D N 1.158 121.580 120.400 0.037 0.000 2.075 180 D HA -0.149 4.491 4.640 0.000 0.000 0.196 180 D C 1.940 178.247 176.300 0.012 0.000 0.985 180 D CA 1.026 55.034 54.000 0.014 0.000 0.834 180 D CB -0.368 40.429 40.800 -0.006 0.000 0.987 180 D HN 0.217 nan 8.370 nan 0.000 0.452 181 Q N 0.362 120.165 119.800 0.004 0.000 2.376 181 Q HA -0.183 4.157 4.340 0.000 0.000 0.211 181 Q C 2.074 178.092 176.000 0.029 0.000 0.986 181 Q CA 0.946 56.752 55.803 0.005 0.000 0.886 181 Q CB -0.066 28.663 28.738 -0.015 0.000 0.927 181 Q HN 0.475 nan 8.270 nan 0.000 0.457 182 Q N 0.599 120.426 119.800 0.045 0.000 1.984 182 Q HA -0.073 4.267 4.340 0.000 0.000 0.196 182 Q C 1.899 177.916 176.000 0.027 0.000 0.975 182 Q CA 0.826 56.656 55.803 0.045 0.000 0.827 182 Q CB 0.011 28.782 28.738 0.054 0.000 0.894 182 Q HN 0.265 nan 8.270 nan 0.000 0.438 183 K N 0.873 121.287 120.400 0.023 0.000 2.152 183 K HA -0.188 4.132 4.320 0.000 0.000 0.206 183 K C 2.132 178.739 176.600 0.012 0.000 1.048 183 K CA 1.238 57.534 56.287 0.016 0.000 0.933 183 K CB -0.042 32.467 32.500 0.014 0.000 0.721 183 K HN 0.257 nan 8.250 nan 0.000 0.447 184 Q N 0.642 120.449 119.800 0.011 0.000 1.965 184 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 184 Q C 2.016 178.021 176.000 0.007 0.000 0.981 184 Q CA 0.879 56.686 55.803 0.006 0.000 0.834 184 Q CB -0.153 28.586 28.738 0.002 0.000 0.900 184 Q HN 0.199 nan 8.270 nan 0.000 0.426 185 L N 1.420 122.649 121.223 0.010 0.000 2.549 185 L HA -0.079 4.261 4.340 0.000 0.000 0.229 185 L C 0.751 177.627 176.870 0.010 0.000 1.158 185 L CA 1.225 56.071 54.840 0.010 0.000 0.842 185 L CB -0.445 41.623 42.059 0.014 0.000 0.952 185 L HN 0.257 nan 8.230 nan 0.000 0.452 186 E N 0.676 120.883 120.200 0.011 0.000 2.651 186 E HA -0.052 4.298 4.350 0.000 0.000 0.236 186 E C 0.474 177.078 176.600 0.007 0.000 1.422 186 E CA 0.194 56.600 56.400 0.010 0.000 1.534 186 E CB 0.167 29.873 29.700 0.011 0.000 1.381 186 E HN 0.671 nan 8.360 nan 0.000 0.435 187 Q N -1.766 118.038 119.800 0.006 0.000 1.841 187 Q HA 0.113 4.453 4.340 0.000 0.000 0.150 187 Q C 0.629 176.632 176.000 0.004 0.000 0.511 187 Q CA -0.255 55.551 55.803 0.005 0.000 0.798 187 Q CB 0.491 29.232 28.738 0.004 0.000 0.961 187 Q HN 0.035 nan 8.270 nan 0.000 0.280 188 V N 0.000 119.916 119.914 0.004 0.000 0.000 188 V HA 0.000 4.120 4.120 0.000 0.000 0.000 188 V CA 0.000 62.302 62.300 0.003 0.000 0.000 188 V CB 0.000 31.825 31.823 0.003 0.000 0.000 188 V HN 0.000 nan 8.190 nan 0.000 0.000