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 1rf1_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 0.002 0.000 1.214 134 Q N 2.325 122.126 119.800 0.003 0.000 2.291 134 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 134 Q C 1.973 177.975 176.000 0.004 0.000 0.976 134 Q CA 1.402 57.207 55.803 0.003 0.000 0.875 134 Q CB -0.257 28.482 28.738 0.003 0.000 0.927 134 Q HN 0.574 nan 8.270 nan 0.000 0.450 135 L N 0.431 121.656 121.223 0.003 0.000 2.109 135 L HA -0.030 4.310 4.340 0.000 0.000 0.207 135 L C 2.205 179.078 176.870 0.005 0.000 1.086 135 L CA 1.107 55.949 54.840 0.004 0.000 0.760 135 L CB -0.618 41.443 42.059 0.003 0.000 0.910 135 L HN 0.211 nan 8.230 nan 0.000 0.437 136 L N -0.232 120.994 121.223 0.005 0.000 2.027 136 L HA -0.222 4.118 4.340 0.000 0.000 0.206 136 L C 2.680 179.554 176.870 0.007 0.000 1.074 136 L CA 1.171 56.014 54.840 0.006 0.000 0.745 136 L CB -0.747 41.315 42.059 0.006 0.000 0.898 136 L HN 0.288 nan 8.230 nan 0.000 0.433 137 Q N 0.404 120.208 119.800 0.006 0.000 2.290 137 Q HA -0.264 4.076 4.340 0.000 0.000 0.211 137 Q C 2.075 178.080 176.000 0.008 0.000 0.991 137 Q CA 1.720 57.527 55.803 0.007 0.000 0.893 137 Q CB -0.131 28.610 28.738 0.006 0.000 0.913 137 Q HN 0.554 nan 8.270 nan 0.000 0.428 138 K N -0.076 120.328 120.400 0.007 0.000 2.029 138 K HA 0.007 4.327 4.320 0.000 0.000 0.205 138 K C 1.813 178.418 176.600 0.008 0.000 1.042 138 K CA 0.831 57.123 56.287 0.007 0.000 0.949 138 K CB -0.086 32.417 32.500 0.005 0.000 0.740 138 K HN 0.119 nan 8.250 nan 0.000 0.442 139 N N 1.455 120.160 118.700 0.008 0.000 2.061 139 N HA -0.180 4.560 4.740 0.000 0.000 0.193 139 N C 2.169 177.687 175.510 0.012 0.000 1.030 139 N CA 2.012 55.067 53.050 0.009 0.000 0.856 139 N CB -0.708 37.784 38.487 0.008 0.000 1.023 139 N HN 0.155 nan 8.380 nan 0.000 0.424 140 V N 0.457 120.380 119.914 0.014 0.000 2.233 140 V HA -0.228 3.892 4.120 0.000 0.000 0.247 140 V C 2.468 178.577 176.094 0.024 0.000 1.050 140 V CA 2.066 64.378 62.300 0.020 0.000 1.010 140 V CB -0.964 30.870 31.823 0.018 0.000 0.637 140 V HN 0.187 nan 8.190 nan 0.000 0.444 141 R N 1.290 121.803 120.500 0.020 0.000 2.170 141 R HA -0.152 4.188 4.340 0.000 0.000 0.242 141 R C 2.106 178.417 176.300 0.019 0.000 1.145 141 R CA 1.763 57.876 56.100 0.022 0.000 0.984 141 R CB -0.578 29.732 30.300 0.016 0.000 0.869 141 R HN 0.667 nan 8.270 nan 0.000 0.455 142 A N -0.231 122.598 122.820 0.014 0.000 1.975 142 A HA -0.079 4.241 4.320 0.000 0.000 0.215 142 A C 1.924 179.514 177.584 0.010 0.000 1.170 142 A CA 0.790 52.833 52.037 0.009 0.000 0.656 142 A CB -0.181 18.823 19.000 0.006 0.000 0.821 142 A HN 0.464 nan 8.150 nan 0.000 0.449 143 Q N -0.615 119.197 119.800 0.019 0.000 2.378 143 Q HA 0.112 4.452 4.340 0.000 0.000 0.205 143 Q C 1.744 177.768 176.000 0.040 0.000 0.954 143 Q CA 0.330 56.148 55.803 0.025 0.000 0.901 143 Q CB -0.075 28.681 28.738 0.030 0.000 0.981 143 Q HN 0.687 nan 8.270 nan 0.000 0.483 144 L N -0.726 120.527 121.223 0.050 0.000 2.044 144 L HA -0.133 4.207 4.340 0.000 0.000 0.205 144 L C 2.191 179.067 176.870 0.009 0.000 1.075 144 L CA 0.717 55.608 54.840 0.084 0.000 0.747 144 L CB -0.301 41.817 42.059 0.098 0.000 0.903 144 L HN 0.114 nan 8.230 nan 0.000 0.435 145 V N -0.610 119.297 119.914 -0.010 0.000 2.343 145 V HA -0.295 3.825 4.120 0.000 0.000 0.247 145 V C 2.243 178.294 176.094 -0.071 0.000 1.051 145 V CA 1.825 64.096 62.300 -0.047 0.000 1.036 145 V CB -0.538 31.269 31.823 -0.026 0.000 0.654 145 V HN 0.474 nan 8.190 nan 0.000 0.451 146 D N -0.200 120.175 120.400 -0.042 0.000 2.092 146 D HA -0.174 4.466 4.640 0.000 0.000 0.193 146 D C 2.249 178.509 176.300 -0.067 0.000 0.994 146 D CA 1.481 55.456 54.000 -0.041 0.000 0.828 146 D CB -0.012 40.779 40.800 -0.016 0.000 0.963 146 D HN 0.194 nan 8.370 nan 0.000 0.450 147 M N 0.754 120.318 119.600 -0.061 0.000 2.065 147 M HA -0.163 4.317 4.480 0.000 0.000 0.259 147 M C 2.240 178.363 176.300 -0.295 0.000 1.069 147 M CA 1.196 56.448 55.300 -0.080 0.000 1.110 147 M CB -1.103 31.544 32.600 0.079 0.000 1.328 147 M HN 0.012 nan 8.290 nan 0.000 0.405 148 K N -0.031 120.058 120.400 -0.519 0.000 2.089 148 K HA -0.208 4.112 4.320 0.000 0.000 0.210 148 K C 2.115 178.514 176.600 -0.334 0.000 1.048 148 K CA 1.727 57.597 56.287 -0.695 0.000 0.926 148 K CB -0.001 32.195 32.500 -0.507 0.000 0.714 148 K HN 0.241 nan 8.250 nan 0.000 0.448 149 R N -0.007 120.373 120.500 -0.201 0.000 2.073 149 R HA -0.086 4.254 4.340 0.000 0.000 0.229 149 R C 2.320 178.563 176.300 -0.095 0.000 1.120 149 R CA 1.051 57.079 56.100 -0.120 0.000 0.967 149 R CB -0.309 29.942 30.300 -0.081 0.000 0.862 149 R HN 0.178 nan 8.270 nan 0.000 0.436 150 L N 1.417 122.585 121.223 -0.091 0.000 2.191 150 L HA -0.128 4.212 4.340 0.000 0.000 0.212 150 L C 1.926 178.768 176.870 -0.047 0.000 1.103 150 L CA 1.770 56.578 54.840 -0.053 0.000 0.769 150 L CB -0.300 41.738 42.059 -0.034 0.000 0.908 150 L HN 0.117 nan 8.230 nan 0.000 0.438 151 E N -1.335 118.817 120.200 -0.079 0.000 2.072 151 E HA -0.136 4.214 4.350 0.000 0.000 0.190 151 E C 2.090 178.668 176.600 -0.036 0.000 0.982 151 E CA 1.233 57.608 56.400 -0.041 0.000 0.803 151 E CB 0.003 29.672 29.700 -0.052 0.000 0.755 151 E HN 0.326 nan 8.360 nan 0.000 0.453 152 V N 1.245 121.122 119.914 -0.063 0.000 2.343 152 V HA -0.240 3.880 4.120 0.000 0.000 0.247 152 V C 1.995 178.072 176.094 -0.028 0.000 1.051 152 V CA 2.150 64.425 62.300 -0.042 0.000 1.036 152 V CB -0.552 31.239 31.823 -0.053 0.000 0.654 152 V HN 0.372 nan 8.190 nan 0.000 0.451 153 D N 0.068 120.450 120.400 -0.031 0.000 2.097 153 D HA -0.138 4.502 4.640 0.000 0.000 0.197 153 D C 1.980 178.272 176.300 -0.013 0.000 0.984 153 D CA 1.397 55.385 54.000 -0.021 0.000 0.826 153 D CB -0.155 40.631 40.800 -0.023 0.000 0.973 153 D HN 0.416 nan 8.370 nan 0.000 0.460 154 I N 0.128 120.691 120.570 -0.010 0.000 2.286 154 I HA -0.200 3.970 4.170 0.000 0.000 0.248 154 I C 1.938 178.055 176.117 0.000 0.000 1.115 154 I CA 1.135 62.434 61.300 -0.002 0.000 1.392 154 I CB -0.265 37.737 38.000 0.003 0.000 1.065 154 I HN 0.080 nan 8.210 nan 0.000 0.418 155 D N 1.381 121.781 120.400 -0.000 0.000 2.097 155 D HA -0.174 4.466 4.640 0.000 0.000 0.195 155 D C 2.154 178.454 176.300 0.000 0.000 0.989 155 D CA 1.505 55.506 54.000 0.003 0.000 0.827 155 D CB -0.018 40.784 40.800 0.003 0.000 0.966 155 D HN 0.263 nan 8.370 nan 0.000 0.456 156 I N 0.056 120.624 120.570 -0.004 0.000 2.226 156 I HA -0.216 3.954 4.170 0.000 0.000 0.245 156 I C 2.366 178.482 176.117 -0.003 0.000 1.100 156 I CA 0.842 62.140 61.300 -0.004 0.000 1.374 156 I CB -0.206 37.790 38.000 -0.007 0.000 1.057 156 I HN -0.007 nan 8.210 nan 0.000 0.413 157 K N 0.768 121.167 120.400 -0.003 0.000 2.057 157 K HA -0.072 4.248 4.320 0.000 0.000 0.207 157 K C 2.067 178.666 176.600 -0.000 0.000 1.049 157 K CA 1.403 57.689 56.287 -0.002 0.000 0.931 157 K CB -0.304 32.194 32.500 -0.002 0.000 0.714 157 K HN 0.372 nan 8.250 nan 0.000 0.440 158 I N 0.410 120.980 120.570 0.001 0.000 2.252 158 I HA -0.246 3.924 4.170 0.000 0.000 0.245 158 I C 2.705 178.823 176.117 0.002 0.000 1.102 158 I CA 0.964 62.266 61.300 0.002 0.000 1.385 158 I CB -0.225 37.778 38.000 0.004 0.000 1.064 158 I HN 0.158 nan 8.210 nan 0.000 0.414 159 R N 1.057 121.558 120.500 0.002 0.000 2.152 159 R HA -0.154 4.186 4.340 0.000 0.000 0.232 159 R C 2.312 178.612 176.300 0.001 0.000 1.117 159 R CA 1.638 57.739 56.100 0.002 0.000 0.981 159 R CB -0.113 30.188 30.300 0.002 0.000 0.870 159 R HN 0.415 nan 8.270 nan 0.000 0.451 160 S N -1.307 114.394 115.700 0.000 0.000 2.603 160 S HA -0.068 4.402 4.470 0.000 0.000 0.229 160 S C 1.614 176.214 174.600 0.000 0.000 0.972 160 S CA 0.592 58.792 58.200 -0.000 0.000 0.935 160 S CB -0.283 62.916 63.200 -0.001 0.000 0.769 160 S HN 0.422 nan 8.310 nan 0.000 0.536 161 C N 0.903 120.204 119.300 0.001 0.000 2.673 161 C HA 0.363 4.823 4.460 0.000 0.000 0.264 161 C C 2.598 177.589 174.990 0.001 0.000 1.304 161 C CA -0.181 58.838 59.018 0.001 0.000 1.727 161 C CB -1.301 26.440 27.740 0.001 0.000 1.932 161 C HN 0.710 nan 8.230 nan 0.000 0.563 162 R N 1.370 121.871 120.500 0.001 0.000 2.159 162 R HA -0.099 4.241 4.340 0.000 0.000 0.237 162 R C 1.833 178.134 176.300 0.001 0.000 1.131 162 R CA 1.670 57.771 56.100 0.001 0.000 0.982 162 R CB -0.339 29.962 30.300 0.001 0.000 0.868 162 R HN 0.543 nan 8.270 nan 0.000 0.453 163 G N -1.522 107.278 108.800 0.001 0.000 3.284 163 G HA2 -0.011 3.949 3.960 0.000 0.000 0.236 163 G HA3 -0.011 3.949 3.960 0.000 0.000 0.236 163 G C 0.659 175.559 174.900 0.000 0.000 1.158 163 G CA 0.209 45.309 45.100 0.000 0.000 0.774 163 G HN 0.328 nan 8.290 nan 0.000 0.545 164 S N -1.717 113.984 115.700 0.001 0.000 2.918 164 S HA 0.157 4.627 4.470 0.000 0.000 0.264 164 S C 0.826 175.426 174.600 0.001 0.000 1.078 164 S CA 0.104 58.304 58.200 0.000 0.000 0.918 164 S CB 0.185 63.386 63.200 0.000 0.000 0.882 164 S HN 0.245 nan 8.310 nan 0.000 0.466 165 C N 2.458 121.759 119.300 0.001 0.000 2.345 165 C HA 0.608 5.068 4.460 0.000 0.000 0.370 165 C C 2.370 177.360 174.990 0.001 0.000 1.209 165 C CA 0.078 59.097 59.018 0.001 0.000 2.133 165 C CB 1.110 28.850 27.740 0.001 0.000 2.293 165 C HN 0.693 nan 8.230 nan 0.000 0.544 166 S N 0.696 116.396 115.700 0.001 0.000 2.392 166 S HA -0.190 4.280 4.470 0.000 0.000 0.232 166 S C 0.519 175.120 174.600 0.001 0.000 1.041 166 S CA 1.494 59.694 58.200 0.001 0.000 1.026 166 S CB -0.359 62.842 63.200 0.001 0.000 0.845 166 S HN 0.928 nan 8.310 nan 0.000 0.465 167 R N -0.854 119.647 120.500 0.002 0.000 2.741 167 R HA 0.703 5.043 4.340 0.000 0.000 0.276 167 R C -2.044 174.258 176.300 0.002 0.000 1.028 167 R CA -0.655 55.446 56.100 0.002 0.000 0.865 167 R CB 0.750 31.051 30.300 0.002 0.000 1.268 167 R HN 0.192 nan 8.270 nan 0.000 0.475 168 A N 1.608 124.429 122.820 0.002 0.000 2.318 168 A HA 0.513 4.833 4.320 0.000 0.000 0.317 168 A C -0.769 176.817 177.584 0.004 0.000 1.159 168 A CA -0.779 51.259 52.037 0.003 0.000 0.799 168 A CB 1.211 20.213 19.000 0.003 0.000 1.194 168 A HN 0.653 nan 8.150 nan 0.000 0.479 169 L N 2.948 124.173 121.223 0.004 0.000 2.660 169 L HA 0.334 4.674 4.340 0.000 0.000 0.272 169 L C 0.829 177.702 176.870 0.006 0.000 1.194 169 L CA 0.696 55.539 54.840 0.005 0.000 0.945 169 L CB -0.131 41.931 42.059 0.006 0.000 1.212 169 L HN 0.854 nan 8.230 nan 0.000 0.490 170 A N 7.239 130.062 122.820 0.005 0.000 2.445 170 A HA 0.651 4.971 4.320 0.000 0.000 0.242 170 A C 0.253 177.842 177.584 0.007 0.000 1.075 170 A CA 0.152 52.192 52.037 0.006 0.000 0.777 170 A CB 0.165 19.168 19.000 0.005 0.000 1.013 170 A HN 0.953 nan 8.150 nan 0.000 0.493 171 R N 0.639 121.145 120.500 0.009 0.000 2.780 171 R HA 0.558 4.898 4.340 0.000 0.000 0.280 171 R C -1.630 174.678 176.300 0.013 0.000 1.016 171 R CA -0.667 55.440 56.100 0.011 0.000 0.854 171 R CB 0.799 31.107 30.300 0.013 0.000 1.293 171 R HN 0.794 nan 8.270 nan 0.000 0.483 172 E N 0.455 120.665 120.200 0.017 0.000 2.433 172 E HA 0.596 4.946 4.350 0.000 0.000 0.278 172 E C -1.361 175.257 176.600 0.030 0.000 0.976 172 E CA -1.269 55.143 56.400 0.020 0.000 0.793 172 E CB 2.668 32.378 29.700 0.017 0.000 1.311 172 E HN 0.250 nan 8.360 nan 0.000 0.460 173 V N 1.087 121.022 119.914 0.035 0.000 2.444 173 V HA 0.258 4.378 4.120 0.000 0.000 0.294 173 V C -1.160 174.972 176.094 0.064 0.000 1.022 173 V CA -0.693 61.640 62.300 0.055 0.000 0.850 173 V CB 1.414 33.265 31.823 0.047 0.000 0.992 173 V HN 0.796 nan 8.190 nan 0.000 0.426 174 D N 4.535 124.985 120.400 0.084 0.000 2.485 174 D HA 0.315 4.955 4.640 0.000 0.000 0.221 174 D C 0.863 177.250 176.300 0.146 0.000 1.112 174 D CA -0.408 53.638 54.000 0.077 0.000 0.911 174 D CB 0.920 41.742 40.800 0.037 0.000 1.019 174 D HN 0.236 nan 8.370 nan 0.000 0.516 175 L N 3.041 124.352 121.223 0.145 0.000 2.240 175 L HA -0.025 4.315 4.340 0.000 0.000 0.211 175 L C 2.140 179.117 176.870 0.178 0.000 1.106 175 L CA 0.810 55.776 54.840 0.211 0.000 0.793 175 L CB -0.994 41.125 42.059 0.101 0.000 0.927 175 L HN 0.409 nan 8.230 nan 0.000 0.446 176 K N 1.391 121.847 120.400 0.093 0.000 2.034 176 K HA -0.280 4.040 4.320 0.000 0.000 0.214 176 K C 1.774 178.399 176.600 0.042 0.000 1.051 176 K CA 2.143 58.463 56.287 0.056 0.000 0.931 176 K CB -0.582 31.936 32.500 0.029 0.000 0.715 176 K HN 0.230 nan 8.250 nan 0.000 0.446 177 D N -1.334 119.067 120.400 0.001 0.000 2.149 177 D HA -0.211 4.429 4.640 0.000 0.000 0.194 177 D C 1.644 177.878 176.300 -0.110 0.000 1.001 177 D CA 1.504 55.449 54.000 -0.091 0.000 0.849 177 D CB -0.182 40.505 40.800 -0.188 0.000 0.939 177 D HN 0.399 nan 8.370 nan 0.000 0.449 178 Y N 0.796 121.096 120.300 -0.000 0.000 2.220 178 Y HA 0.024 4.574 4.550 -0.000 0.000 0.291 178 Y C 2.316 178.216 175.900 -0.000 0.000 1.129 178 Y CA 1.257 59.357 58.100 -0.000 0.000 1.161 178 Y CB -0.285 38.175 38.460 -0.000 0.000 0.997 178 Y HN 0.084 nan 8.280 nan 0.000 0.522 179 E N -0.225 120.071 120.200 0.160 0.000 2.401 179 E HA -0.182 4.168 4.350 0.000 0.000 0.199 179 E C 0.828 177.460 176.600 0.053 0.000 1.023 179 E CA 1.305 57.758 56.400 0.089 0.000 0.859 179 E CB -0.113 29.626 29.700 0.066 0.000 0.780 179 E HN 0.569 nan 8.360 nan 0.000 0.523 180 D N 0.308 120.731 120.400 0.038 0.000 2.369 180 D HA -0.042 4.598 4.640 0.000 0.000 0.231 180 D C 1.518 177.825 176.300 0.012 0.000 0.967 180 D CA 0.476 54.486 54.000 0.015 0.000 0.905 180 D CB 0.025 40.824 40.800 -0.002 0.000 1.044 180 D HN 0.035 nan 8.370 nan 0.000 0.487 181 Q N 0.229 120.033 119.800 0.006 0.000 2.443 181 Q HA -0.131 4.209 4.340 0.000 0.000 0.213 181 Q C 1.530 177.547 176.000 0.028 0.000 0.982 181 Q CA 0.870 56.676 55.803 0.004 0.000 0.894 181 Q CB -0.015 28.714 28.738 -0.016 0.000 0.947 181 Q HN 0.461 nan 8.270 nan 0.000 0.480 182 Q N -0.090 119.736 119.800 0.043 0.000 2.373 182 Q HA 0.031 4.371 4.340 0.000 0.000 0.210 182 Q C 1.367 177.383 176.000 0.027 0.000 0.913 182 Q CA 0.320 56.148 55.803 0.042 0.000 0.911 182 Q CB 0.362 29.132 28.738 0.054 0.000 1.040 182 Q HN 0.206 nan 8.270 nan 0.000 0.521 183 K N 0.617 121.031 120.400 0.023 0.000 2.486 183 K HA -0.059 4.261 4.320 0.000 0.000 0.194 183 K C 1.619 178.226 176.600 0.011 0.000 1.033 183 K CA 0.640 56.936 56.287 0.015 0.000 1.004 183 K CB 0.247 32.755 32.500 0.014 0.000 0.798 183 K HN 0.267 nan 8.250 nan 0.000 0.495 184 Q N 0.059 119.865 119.800 0.010 0.000 2.226 184 Q HA 0.059 4.399 4.340 0.000 0.000 0.199 184 Q C 1.905 177.910 176.000 0.008 0.000 0.945 184 Q CA 0.243 56.050 55.803 0.006 0.000 0.861 184 Q CB 0.147 28.887 28.738 0.003 0.000 0.953 184 Q HN 0.131 nan 8.270 nan 0.000 0.490 185 L N 1.442 122.672 121.223 0.011 0.000 2.141 185 L HA -0.113 4.227 4.340 0.000 0.000 0.209 185 L C 1.856 178.732 176.870 0.011 0.000 1.094 185 L CA 1.705 56.551 54.840 0.012 0.000 0.763 185 L CB -0.485 41.584 42.059 0.016 0.000 0.908 185 L HN 0.230 nan 8.230 nan 0.000 0.437 186 E N -0.108 120.098 120.200 0.011 0.000 2.106 186 E HA -0.204 4.146 4.350 0.000 0.000 0.192 186 E C 1.691 178.295 176.600 0.007 0.000 0.984 186 E CA 0.717 57.122 56.400 0.010 0.000 0.806 186 E CB -0.007 29.699 29.700 0.011 0.000 0.750 186 E HN 0.450 nan 8.360 nan 0.000 0.458 187 Q N -0.019 119.785 119.800 0.007 0.000 2.387 187 Q HA 0.095 4.435 4.340 0.000 0.000 0.211 187 Q C -0.143 175.860 176.000 0.004 0.000 0.952 187 Q CA -0.005 55.801 55.803 0.005 0.000 0.957 187 Q CB 0.294 29.034 28.738 0.004 0.000 1.002 187 Q HN -0.049 nan 8.270 nan 0.000 0.502 188 V N 0.000 119.917 119.914 0.005 0.000 0.000 188 V HA 0.000 4.120 4.120 0.000 0.000 0.000 188 V CA 0.000 62.303 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