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 1rf0_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 61.302 61.300 0.003 0.000 1.566 133 I CB 0.000 38.002 38.000 0.003 0.000 1.214 134 Q N 1.407 121.209 119.800 0.003 0.000 2.077 134 Q HA -0.108 4.232 4.340 0.000 0.000 0.206 134 Q C 1.633 177.635 176.000 0.003 0.000 0.989 134 Q CA 1.347 57.152 55.803 0.003 0.000 0.853 134 Q CB -0.024 28.715 28.738 0.003 0.000 0.907 134 Q HN 0.352 nan 8.270 nan 0.000 0.418 135 L N 1.091 122.316 121.223 0.003 0.000 2.922 135 L HA 0.099 4.439 4.340 0.000 0.000 0.244 135 L C 0.817 177.689 176.870 0.004 0.000 1.324 135 L CA 0.530 55.372 54.840 0.004 0.000 1.172 135 L CB -0.744 41.317 42.059 0.003 0.000 1.545 135 L HN 0.222 nan 8.230 nan 0.000 0.438 136 L N -1.602 119.624 121.223 0.005 0.000 2.567 136 L HA -0.022 4.318 4.340 0.000 0.000 0.228 136 L C 2.049 178.923 176.870 0.007 0.000 1.046 136 L CA 0.168 55.011 54.840 0.006 0.000 1.013 136 L CB 0.125 42.188 42.059 0.005 0.000 1.944 136 L HN 0.247 nan 8.230 nan 0.000 0.510 137 Q N 0.825 120.629 119.800 0.006 0.000 2.369 137 Q HA -0.114 4.226 4.340 0.000 0.000 0.206 137 Q C 1.273 177.278 176.000 0.008 0.000 0.963 137 Q CA 1.067 56.874 55.803 0.007 0.000 0.894 137 Q CB -0.007 28.735 28.738 0.006 0.000 0.965 137 Q HN 0.465 nan 8.270 nan 0.000 0.475 138 K N 0.461 120.865 120.400 0.007 0.000 2.244 138 K HA 0.089 4.409 4.320 0.000 0.000 0.200 138 K C 1.411 178.015 176.600 0.007 0.000 1.052 138 K CA 0.852 57.143 56.287 0.006 0.000 0.980 138 K CB 0.193 32.696 32.500 0.005 0.000 0.838 138 K HN 0.113 nan 8.250 nan 0.000 0.481 139 N N 1.023 119.727 118.700 0.007 0.000 2.270 139 N HA -0.124 4.616 4.740 0.000 0.000 0.181 139 N C 1.884 177.401 175.510 0.011 0.000 1.016 139 N CA 1.178 54.233 53.050 0.008 0.000 0.870 139 N CB -0.191 38.301 38.487 0.007 0.000 0.979 139 N HN 0.086 nan 8.380 nan 0.000 0.431 140 V N -0.443 119.479 119.914 0.013 0.000 2.255 140 V HA -0.065 4.055 4.120 0.000 0.000 0.243 140 V C 2.181 178.288 176.094 0.022 0.000 1.038 140 V CA 1.348 63.659 62.300 0.019 0.000 1.008 140 V CB -0.788 31.046 31.823 0.018 0.000 0.645 140 V HN 0.125 nan 8.190 nan 0.000 0.449 141 R N 0.983 121.494 120.500 0.018 0.000 2.211 141 R HA -0.132 4.208 4.340 0.000 0.000 0.240 141 R C 2.111 178.420 176.300 0.015 0.000 1.144 141 R CA 1.631 57.743 56.100 0.019 0.000 0.992 141 R CB -0.465 29.844 30.300 0.014 0.000 0.869 141 R HN 0.671 nan 8.270 nan 0.000 0.462 142 A N 0.183 123.010 122.820 0.011 0.000 1.861 142 A HA -0.142 4.178 4.320 0.000 0.000 0.212 142 A C 1.983 179.570 177.584 0.006 0.000 1.199 142 A CA 0.957 52.998 52.037 0.006 0.000 0.613 142 A CB -0.497 18.505 19.000 0.004 0.000 0.846 142 A HN 0.459 nan 8.150 nan 0.000 0.446 143 Q N -0.975 118.833 119.800 0.013 0.000 2.291 143 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 143 Q C 1.786 177.802 176.000 0.027 0.000 0.976 143 Q CA 1.274 57.088 55.803 0.017 0.000 0.875 143 Q CB -0.138 28.613 28.738 0.022 0.000 0.927 143 Q HN 0.503 nan 8.270 nan 0.000 0.450 144 L N -0.649 120.596 121.223 0.037 0.000 2.179 144 L HA -0.080 4.260 4.340 0.000 0.000 0.208 144 L C 1.962 178.841 176.870 0.015 0.000 1.096 144 L CA 1.044 55.924 54.840 0.066 0.000 0.779 144 L CB -0.127 41.979 42.059 0.077 0.000 0.922 144 L HN 0.033 nan 8.230 nan 0.000 0.443 145 V N -0.784 119.125 119.914 -0.007 0.000 2.488 145 V HA -0.193 3.927 4.120 0.000 0.000 0.246 145 V C 2.201 178.258 176.094 -0.061 0.000 1.046 145 V CA 1.587 63.865 62.300 -0.037 0.000 1.053 145 V CB -0.461 31.349 31.823 -0.021 0.000 0.679 145 V HN 0.425 nan 8.190 nan 0.000 0.458 146 D N -0.257 120.119 120.400 -0.039 0.000 2.117 146 D HA -0.175 4.465 4.640 0.000 0.000 0.197 146 D C 2.140 178.398 176.300 -0.069 0.000 0.987 146 D CA 1.377 55.352 54.000 -0.041 0.000 0.829 146 D CB -0.051 40.738 40.800 -0.019 0.000 0.961 146 D HN 0.140 nan 8.370 nan 0.000 0.460 147 M N 0.146 119.701 119.600 -0.074 0.000 2.132 147 M HA -0.075 4.405 4.480 0.000 0.000 0.263 147 M C 2.177 178.267 176.300 -0.350 0.000 1.065 147 M CA 1.039 56.268 55.300 -0.118 0.000 1.122 147 M CB -0.887 31.726 32.600 0.022 0.000 1.365 147 M HN 0.040 nan 8.290 nan 0.000 0.411 148 K N -0.012 120.105 120.400 -0.471 0.000 2.113 148 K HA -0.193 4.127 4.320 0.000 0.000 0.208 148 K C 2.126 178.531 176.600 -0.326 0.000 1.047 148 K CA 1.519 57.441 56.287 -0.609 0.000 0.928 148 K CB 0.109 32.390 32.500 -0.364 0.000 0.716 148 K HN 0.221 nan 8.250 nan 0.000 0.446 149 R N 0.007 120.389 120.500 -0.197 0.000 2.057 149 R HA -0.085 4.255 4.340 0.000 0.000 0.229 149 R C 2.335 178.574 176.300 -0.102 0.000 1.136 149 R CA 1.169 57.197 56.100 -0.121 0.000 0.952 149 R CB -0.471 29.781 30.300 -0.080 0.000 0.848 149 R HN 0.141 nan 8.270 nan 0.000 0.430 150 L N 1.705 122.873 121.223 -0.092 0.000 2.129 150 L HA -0.218 4.122 4.340 0.000 0.000 0.212 150 L C 2.011 178.848 176.870 -0.056 0.000 1.087 150 L CA 1.880 56.685 54.840 -0.057 0.000 0.757 150 L CB -0.444 41.593 42.059 -0.038 0.000 0.896 150 L HN 0.121 nan 8.230 nan 0.000 0.434 151 E N -0.781 119.359 120.200 -0.100 0.000 2.007 151 E HA -0.174 4.176 4.350 0.000 0.000 0.194 151 E C 2.111 178.682 176.600 -0.048 0.000 0.999 151 E CA 2.033 58.390 56.400 -0.071 0.000 0.811 151 E CB -0.522 29.076 29.700 -0.171 0.000 0.762 151 E HN 0.272 nan 8.360 nan 0.000 0.450 152 V N 1.044 120.913 119.914 -0.074 0.000 2.392 152 V HA -0.268 3.852 4.120 0.000 0.000 0.249 152 V C 2.057 178.133 176.094 -0.030 0.000 1.059 152 V CA 2.255 64.529 62.300 -0.044 0.000 1.051 152 V CB -0.695 31.096 31.823 -0.053 0.000 0.658 152 V HN 0.400 nan 8.190 nan 0.000 0.455 153 D N -0.053 120.326 120.400 -0.034 0.000 2.084 153 D HA -0.166 4.474 4.640 0.000 0.000 0.194 153 D C 1.981 178.273 176.300 -0.014 0.000 0.990 153 D CA 1.517 55.503 54.000 -0.023 0.000 0.826 153 D CB -0.157 40.629 40.800 -0.024 0.000 0.971 153 D HN 0.426 nan 8.370 nan 0.000 0.453 154 I N 0.154 120.717 120.570 -0.011 0.000 2.361 154 I HA -0.203 3.967 4.170 0.000 0.000 0.251 154 I C 1.878 177.996 176.117 0.001 0.000 1.133 154 I CA 1.116 62.414 61.300 -0.003 0.000 1.413 154 I CB -0.318 37.684 38.000 0.004 0.000 1.073 154 I HN 0.122 nan 8.210 nan 0.000 0.424 155 D N 1.402 121.802 120.400 0.000 0.000 2.097 155 D HA -0.147 4.493 4.640 0.000 0.000 0.197 155 D C 2.170 178.471 176.300 0.001 0.000 0.984 155 D CA 1.328 55.331 54.000 0.004 0.000 0.826 155 D CB 0.020 40.823 40.800 0.005 0.000 0.973 155 D HN 0.253 nan 8.370 nan 0.000 0.460 156 I N 0.100 120.669 120.570 -0.003 0.000 2.226 156 I HA -0.218 3.952 4.170 0.000 0.000 0.245 156 I C 2.298 178.413 176.117 -0.002 0.000 1.100 156 I CA 1.022 62.320 61.300 -0.003 0.000 1.374 156 I CB -0.181 37.815 38.000 -0.007 0.000 1.057 156 I HN 0.002 nan 8.210 nan 0.000 0.413 157 K N 0.629 121.028 120.400 -0.003 0.000 2.155 157 K HA -0.044 4.276 4.320 0.000 0.000 0.203 157 K C 2.076 178.676 176.600 0.000 0.000 1.052 157 K CA 1.168 57.454 56.287 -0.002 0.000 0.948 157 K CB -0.004 32.494 32.500 -0.002 0.000 0.728 157 K HN 0.310 nan 8.250 nan 0.000 0.448 158 I N 0.485 121.056 120.570 0.002 0.000 2.353 158 I HA -0.215 3.955 4.170 0.000 0.000 0.248 158 I C 2.618 178.737 176.117 0.003 0.000 1.119 158 I CA 0.831 62.133 61.300 0.003 0.000 1.417 158 I CB -0.116 37.887 38.000 0.005 0.000 1.078 158 I HN 0.121 nan 8.210 nan 0.000 0.421 159 R N 1.112 121.614 120.500 0.003 0.000 2.075 159 R HA -0.154 4.186 4.340 0.000 0.000 0.232 159 R C 2.303 178.604 176.300 0.001 0.000 1.126 159 R CA 1.761 57.862 56.100 0.002 0.000 0.963 159 R CB -0.138 30.164 30.300 0.002 0.000 0.858 159 R HN 0.394 nan 8.270 nan 0.000 0.435 160 S N -1.128 114.572 115.700 0.001 0.000 2.595 160 S HA -0.066 4.404 4.470 0.000 0.000 0.235 160 S C 1.544 176.144 174.600 0.000 0.000 0.974 160 S CA 0.559 58.759 58.200 0.000 0.000 0.942 160 S CB -0.379 62.821 63.200 -0.001 0.000 0.766 160 S HN 0.416 nan 8.310 nan 0.000 0.536 161 C N 0.884 120.185 119.300 0.001 0.000 2.696 161 C HA 0.366 4.826 4.460 0.000 0.000 0.264 161 C C 2.574 177.565 174.990 0.001 0.000 1.288 161 C CA -0.359 58.660 59.018 0.001 0.000 1.717 161 C CB -1.321 26.420 27.740 0.002 0.000 1.893 161 C HN 0.705 nan 8.230 nan 0.000 0.577 162 R N 1.416 121.917 120.500 0.001 0.000 2.096 162 R HA -0.090 4.250 4.340 0.000 0.000 0.235 162 R C 1.830 178.130 176.300 0.001 0.000 1.127 162 R CA 1.701 57.801 56.100 0.001 0.000 0.968 162 R CB -0.348 29.953 30.300 0.002 0.000 0.861 162 R HN 0.527 nan 8.270 nan 0.000 0.440 163 G N -1.423 107.378 108.800 0.001 0.000 3.448 163 G HA2 0.040 4.000 3.960 0.000 0.000 0.261 163 G HA3 0.040 4.000 3.960 0.000 0.000 0.261 163 G C 0.511 175.412 174.900 0.000 0.000 1.173 163 G CA -0.071 45.029 45.100 0.001 0.000 0.835 163 G HN 0.281 nan 8.290 nan 0.000 0.534 164 S N -1.619 114.081 115.700 0.001 0.000 3.265 164 S HA 0.146 4.616 4.470 0.000 0.000 0.259 164 S C 0.846 175.446 174.600 0.001 0.000 1.089 164 S CA 0.146 58.346 58.200 0.001 0.000 0.811 164 S CB 0.161 63.361 63.200 0.000 0.000 0.858 164 S HN 0.308 nan 8.310 nan 0.000 0.452 165 C N 2.650 121.950 119.300 0.001 0.000 2.335 165 C HA 0.563 5.023 4.460 0.000 0.000 0.363 165 C C 2.327 177.317 174.990 0.001 0.000 1.198 165 C CA -0.015 59.004 59.018 0.001 0.000 2.279 165 C CB 1.063 28.803 27.740 0.001 0.000 2.334 165 C HN 0.723 nan 8.230 nan 0.000 0.559 166 S N 0.844 116.545 115.700 0.001 0.000 2.392 166 S HA -0.194 4.276 4.470 0.000 0.000 0.232 166 S C 0.556 175.157 174.600 0.001 0.000 1.041 166 S CA 1.458 59.659 58.200 0.001 0.000 1.026 166 S CB -0.356 62.845 63.200 0.001 0.000 0.845 166 S HN 0.930 nan 8.310 nan 0.000 0.465 167 R N -0.458 120.043 120.500 0.002 0.000 2.762 167 R HA 0.767 5.107 4.340 0.000 0.000 0.271 167 R C -2.001 174.300 176.300 0.002 0.000 1.038 167 R CA -0.738 55.363 56.100 0.002 0.000 0.906 167 R CB 0.865 31.166 30.300 0.002 0.000 1.259 167 R HN 0.207 nan 8.270 nan 0.000 0.457 168 A N 1.144 123.966 122.820 0.003 0.000 2.374 168 A HA 0.525 4.845 4.320 0.000 0.000 0.305 168 A C -1.219 176.367 177.584 0.004 0.000 1.053 168 A CA -0.789 51.250 52.037 0.003 0.000 0.726 168 A CB 1.589 20.591 19.000 0.003 0.000 1.229 168 A HN 0.631 nan 8.150 nan 0.000 0.431 169 L N 2.570 123.796 121.223 0.005 0.000 2.615 169 L HA 0.366 4.706 4.340 0.000 0.000 0.271 169 L C 0.901 177.775 176.870 0.006 0.000 1.183 169 L CA 0.763 55.606 54.840 0.005 0.000 0.933 169 L CB 0.056 42.119 42.059 0.007 0.000 1.199 169 L HN 0.878 nan 8.230 nan 0.000 0.487 170 A N 7.456 130.279 122.820 0.006 0.000 2.477 170 A HA 0.584 4.904 4.320 0.000 0.000 0.246 170 A C 0.284 177.873 177.584 0.008 0.000 1.078 170 A CA 0.061 52.102 52.037 0.006 0.000 0.770 170 A CB 0.042 19.045 19.000 0.005 0.000 1.011 170 A HN 0.904 nan 8.150 nan 0.000 0.494 171 R N 1.093 121.598 120.500 0.009 0.000 2.764 171 R HA 0.658 4.998 4.340 0.000 0.000 0.276 171 R C -1.564 174.745 176.300 0.014 0.000 1.021 171 R CA -0.674 55.434 56.100 0.012 0.000 0.870 171 R CB 0.977 31.285 30.300 0.015 0.000 1.293 171 R HN 0.793 nan 8.270 nan 0.000 0.469 172 E N 0.298 120.509 120.200 0.019 0.000 2.407 172 E HA 0.520 4.870 4.350 0.000 0.000 0.279 172 E C -1.517 175.103 176.600 0.032 0.000 1.012 172 E CA -1.203 55.209 56.400 0.021 0.000 0.800 172 E CB 2.450 32.160 29.700 0.017 0.000 1.276 172 E HN 0.252 nan 8.360 nan 0.000 0.452 173 V N 1.021 120.957 119.914 0.038 0.000 2.495 173 V HA 0.305 4.425 4.120 0.000 0.000 0.298 173 V C -1.055 175.078 176.094 0.066 0.000 1.031 173 V CA -0.594 61.743 62.300 0.062 0.000 0.871 173 V CB 1.585 33.443 31.823 0.058 0.000 0.988 173 V HN 0.798 nan 8.190 nan 0.000 0.432 174 D N 3.736 124.188 120.400 0.086 0.000 2.485 174 D HA 0.337 4.977 4.640 0.000 0.000 0.256 174 D C 1.048 177.428 176.300 0.133 0.000 1.141 174 D CA -0.394 53.649 54.000 0.071 0.000 0.942 174 D CB 0.712 41.530 40.800 0.029 0.000 1.003 174 D HN 0.267 nan 8.370 nan 0.000 0.507 175 L N 2.143 123.454 121.223 0.147 0.000 2.261 175 L HA -0.131 4.209 4.340 0.000 0.000 0.216 175 L C 2.199 179.174 176.870 0.176 0.000 1.114 175 L CA 1.126 56.091 54.840 0.208 0.000 0.777 175 L CB -0.964 41.155 42.059 0.100 0.000 0.910 175 L HN 0.386 nan 8.230 nan 0.000 0.440 176 K N 1.500 121.955 120.400 0.091 0.000 2.000 176 K HA -0.283 4.037 4.320 0.000 0.000 0.218 176 K C 1.800 178.419 176.600 0.033 0.000 1.053 176 K CA 2.279 58.596 56.287 0.051 0.000 0.946 176 K CB -0.695 31.819 32.500 0.024 0.000 0.723 176 K HN 0.175 nan 8.250 nan 0.000 0.446 177 D N -1.515 118.872 120.400 -0.021 0.000 2.203 177 D HA -0.203 4.437 4.640 0.000 0.000 0.199 177 D C 1.583 177.809 176.300 -0.124 0.000 0.997 177 D CA 1.389 55.323 54.000 -0.109 0.000 0.863 177 D CB -0.127 40.546 40.800 -0.211 0.000 0.928 177 D HN 0.415 nan 8.370 nan 0.000 0.458 178 Y N 0.647 120.947 120.300 -0.000 0.000 2.243 178 Y HA 0.077 4.627 4.550 -0.000 0.000 0.293 178 Y C 2.351 178.251 175.900 -0.000 0.000 1.124 178 Y CA 0.996 59.096 58.100 -0.000 0.000 1.159 178 Y CB -0.206 38.254 38.460 -0.000 0.000 1.008 178 Y HN 0.063 nan 8.280 nan 0.000 0.527 179 E N -0.163 120.132 120.200 0.159 0.000 2.106 179 E HA -0.185 4.165 4.350 0.000 0.000 0.192 179 E C 1.396 178.029 176.600 0.055 0.000 0.984 179 E CA 1.309 57.762 56.400 0.088 0.000 0.806 179 E CB -0.083 29.655 29.700 0.064 0.000 0.750 179 E HN 0.443 nan 8.360 nan 0.000 0.458 180 D N 0.794 121.217 120.400 0.038 0.000 2.103 180 D HA -0.124 4.516 4.640 0.000 0.000 0.199 180 D C 1.870 178.180 176.300 0.016 0.000 0.978 180 D CA 0.876 54.887 54.000 0.017 0.000 0.829 180 D CB -0.191 40.610 40.800 0.000 0.000 0.981 180 D HN 0.124 nan 8.370 nan 0.000 0.464 181 Q N 0.090 119.900 119.800 0.016 0.000 2.291 181 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 181 Q C 1.926 177.949 176.000 0.037 0.000 0.976 181 Q CA 0.778 56.591 55.803 0.017 0.000 0.875 181 Q CB 0.074 28.815 28.738 0.005 0.000 0.927 181 Q HN 0.437 nan 8.270 nan 0.000 0.450 182 Q N -0.213 119.619 119.800 0.053 0.000 2.297 182 Q HA -0.089 4.251 4.340 0.000 0.000 0.204 182 Q C 1.381 177.399 176.000 0.029 0.000 0.962 182 Q CA 0.768 56.600 55.803 0.047 0.000 0.879 182 Q CB 0.246 29.015 28.738 0.053 0.000 0.947 182 Q HN 0.239 nan 8.270 nan 0.000 0.462 183 K N 0.129 120.544 120.400 0.024 0.000 2.356 183 K HA 0.003 4.323 4.320 0.000 0.000 0.195 183 K C 1.682 178.289 176.600 0.012 0.000 1.037 183 K CA 0.318 56.614 56.287 0.016 0.000 1.014 183 K CB 0.281 32.789 32.500 0.014 0.000 0.815 183 K HN 0.216 nan 8.250 nan 0.000 0.507 184 Q N 0.408 120.215 119.800 0.012 0.000 2.311 184 Q HA 0.044 4.384 4.340 0.000 0.000 0.203 184 Q C 1.553 177.558 176.000 0.009 0.000 0.954 184 Q CA 0.465 56.272 55.803 0.008 0.000 0.885 184 Q CB 0.261 29.001 28.738 0.004 0.000 0.963 184 Q HN 0.150 nan 8.270 nan 0.000 0.471 185 L N 0.695 121.925 121.223 0.013 0.000 2.591 185 L HA 0.013 4.353 4.340 0.000 0.000 0.228 185 L C 1.153 178.030 176.870 0.011 0.000 1.133 185 L CA 1.049 55.897 54.840 0.013 0.000 0.880 185 L CB 0.012 42.082 42.059 0.018 0.000 1.033 185 L HN 0.162 nan 8.230 nan 0.000 0.450 186 E N -0.636 119.570 120.200 0.010 0.000 2.290 186 E HA 0.023 4.373 4.350 0.000 0.000 0.197 186 E C 1.181 177.784 176.600 0.006 0.000 0.948 186 E CA 0.251 56.657 56.400 0.008 0.000 0.895 186 E CB 0.178 29.884 29.700 0.009 0.000 0.865 186 E HN 0.524 nan 8.360 nan 0.000 0.486 187 Q N 1.261 121.064 119.800 0.006 0.000 2.307 187 Q HA 0.076 4.416 4.340 0.000 0.000 0.216 187 Q C 0.426 176.428 176.000 0.004 0.000 0.931 187 Q CA -0.060 55.745 55.803 0.004 0.000 0.953 187 Q CB -0.011 28.729 28.738 0.004 0.000 1.006 187 Q HN 0.052 nan 8.270 nan 0.000 0.472 188 V N 0.000 119.917 119.914 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 0.004 0.000 0.000 188 V CB 0.000 31.826 31.823 0.004 0.000 0.000 188 V HN 0.000 nan 8.190 nan 0.000 0.000