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 1zg5_1_F DATA FIRST_RESID 151 DATA SEQUENCE RDVNQLTPRE RDILKLIAQG LPNKXIARRL DITESTVKVH VKHXLKKXKL DATA SEQUENCE KSRVEAAVWV HQERIF 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 151 R HA 0.000 nan 4.340 nan 0.000 0.208 151 R C 0.000 176.337 176.300 0.062 0.000 0.893 151 R CA 0.000 56.048 56.100 -0.087 0.000 0.921 151 R CB 0.000 30.169 30.300 -0.218 0.000 0.687 152 D N 2.262 122.702 120.400 0.067 0.000 2.502 152 D HA 0.164 4.804 4.640 0.000 0.000 0.249 152 D C 0.522 176.921 176.300 0.165 0.000 1.092 152 D CA -0.684 53.395 54.000 0.132 0.000 0.839 152 D CB 2.290 43.131 40.800 0.068 0.000 1.264 152 D HN 0.135 nan 8.370 nan 0.000 0.511 153 V N 4.381 124.430 119.914 0.224 0.000 2.759 153 V HA -0.122 3.998 4.120 0.000 0.000 0.256 153 V C 1.122 177.291 176.094 0.126 0.000 1.080 153 V CA 1.495 63.917 62.300 0.204 0.000 1.101 153 V CB -0.524 31.317 31.823 0.029 0.000 0.698 153 V HN 0.601 nan 8.190 nan 0.000 0.477 154 N N -0.107 118.643 118.700 0.084 0.000 2.512 154 N HA -0.129 4.611 4.740 0.000 0.000 0.183 154 N C 1.655 177.202 175.510 0.062 0.000 1.073 154 N CA 0.920 54.010 53.050 0.067 0.000 0.911 154 N CB -0.103 38.411 38.487 0.045 0.000 0.964 154 N HN 0.673 nan 8.380 nan 0.000 0.447 155 Q N 0.440 120.279 119.800 0.065 0.000 2.378 155 Q HA 0.065 4.406 4.340 0.000 0.000 0.205 155 Q C 0.281 176.315 176.000 0.056 0.000 0.954 155 Q CA 0.181 56.013 55.803 0.048 0.000 0.901 155 Q CB 0.284 29.044 28.738 0.036 0.000 0.981 155 Q HN 0.301 nan 8.270 nan 0.000 0.483 156 L N 1.190 122.464 121.223 0.084 0.000 2.466 156 L HA 0.187 4.527 4.340 0.000 0.000 0.257 156 L C 0.808 177.724 176.870 0.077 0.000 1.189 156 L CA -0.446 54.450 54.840 0.093 0.000 0.813 156 L CB 0.806 42.946 42.059 0.136 0.000 1.118 156 L HN 0.111 nan 8.230 nan 0.000 0.471 157 T N -2.485 112.114 114.554 0.074 0.000 2.874 157 T HA 0.255 4.605 4.350 0.000 0.000 0.281 157 T C -1.974 172.747 174.700 0.036 0.000 0.994 157 T CA -1.703 60.431 62.100 0.055 0.000 1.015 157 T CB 1.386 70.295 68.868 0.068 0.000 1.028 157 T HN 0.316 nan 8.240 nan 0.000 0.523 158 P HA -0.113 nan 4.420 nan 0.000 0.214 158 P C 1.733 179.000 177.300 -0.055 0.000 1.163 158 P CA 0.830 63.926 63.100 -0.007 0.000 0.889 158 P CB 0.049 31.743 31.700 -0.010 0.000 0.790 159 R N 0.408 120.845 120.500 -0.105 0.000 2.096 159 R HA -0.138 4.202 4.340 0.000 0.000 0.235 159 R C 2.043 178.166 176.300 -0.295 0.000 1.127 159 R CA 1.671 57.611 56.100 -0.265 0.000 0.968 159 R CB -1.159 28.870 30.300 -0.453 0.000 0.861 159 R HN 0.273 nan 8.270 nan 0.000 0.440 160 E N -0.701 119.415 120.200 -0.140 0.000 2.106 160 E HA -0.146 4.204 4.350 0.000 0.000 0.192 160 E C 2.096 178.717 176.600 0.035 0.000 0.984 160 E CA 0.981 57.373 56.400 -0.012 0.000 0.806 160 E CB -0.063 29.697 29.700 0.099 0.000 0.750 160 E HN 0.277 nan 8.360 nan 0.000 0.458 161 R N 0.695 121.219 120.500 0.040 0.000 2.090 161 R HA -0.106 4.234 4.340 0.000 0.000 0.228 161 R C 1.724 177.970 176.300 -0.090 0.000 1.110 161 R CA 1.124 57.270 56.100 0.077 0.000 0.973 161 R CB -0.029 30.338 30.300 0.113 0.000 0.869 161 R HN 0.136 nan 8.270 nan 0.000 0.440 162 D N 0.719 121.048 120.400 -0.118 0.000 2.104 162 D HA -0.161 4.480 4.640 0.000 0.000 0.194 162 D C 1.868 178.097 176.300 -0.118 0.000 0.994 162 D CA 1.073 54.983 54.000 -0.151 0.000 0.830 162 D CB -0.054 40.663 40.800 -0.139 0.000 0.959 162 D HN 0.094 nan 8.370 nan 0.000 0.452 163 I N 0.499 121.022 120.570 -0.079 0.000 2.202 163 I HA -0.176 3.994 4.170 0.000 0.000 0.242 163 I C 2.485 178.614 176.117 0.021 0.000 1.091 163 I CA 0.557 61.845 61.300 -0.019 0.000 1.368 163 I CB -1.065 36.947 38.000 0.020 0.000 1.058 163 I HN 0.057 nan 8.210 nan 0.000 0.410 164 L N 1.291 122.553 121.223 0.066 0.000 2.042 164 L HA -0.192 4.148 4.340 0.000 0.000 0.210 164 L C 2.484 179.413 176.870 0.097 0.000 1.076 164 L CA 1.900 56.833 54.840 0.155 0.000 0.749 164 L CB -0.672 41.570 42.059 0.304 0.000 0.893 164 L HN 0.106 nan 8.230 nan 0.000 0.432 165 K N -0.723 119.617 120.400 -0.101 0.000 2.032 165 K HA -0.168 4.152 4.320 0.000 0.000 0.209 165 K C 2.069 178.605 176.600 -0.106 0.000 1.048 165 K CA 1.851 57.970 56.287 -0.280 0.000 0.927 165 K CB -0.368 31.800 32.500 -0.552 0.000 0.712 165 K HN 0.358 nan 8.250 nan 0.000 0.441 166 L N 0.636 121.816 121.223 -0.072 0.000 2.141 166 L HA -0.135 4.205 4.340 0.000 0.000 0.209 166 L C 2.341 179.222 176.870 0.019 0.000 1.094 166 L CA 0.841 55.665 54.840 -0.027 0.000 0.763 166 L CB -0.313 41.729 42.059 -0.027 0.000 0.908 166 L HN 0.192 nan 8.230 nan 0.000 0.437 167 I N 0.126 120.722 120.570 0.043 0.000 2.226 167 I HA -0.260 3.910 4.170 0.000 0.000 0.245 167 I C 2.673 178.849 176.117 0.098 0.000 1.100 167 I CA 1.127 62.471 61.300 0.073 0.000 1.374 167 I CB -0.296 37.761 38.000 0.096 0.000 1.057 167 I HN 0.189 nan 8.210 nan 0.000 0.413 168 A N -0.347 122.537 122.820 0.106 0.000 2.125 168 A HA -0.207 4.113 4.320 0.000 0.000 0.219 168 A C 2.041 179.742 177.584 0.194 0.000 1.156 168 A CA 1.267 53.388 52.037 0.141 0.000 0.671 168 A CB -0.436 18.595 19.000 0.052 0.000 0.794 168 A HN 0.518 nan 8.150 nan 0.000 0.459 169 Q N -1.783 118.082 119.800 0.109 0.000 2.319 169 Q HA 0.297 4.637 4.340 0.000 0.000 0.202 169 Q C 0.977 177.021 176.000 0.074 0.000 0.896 169 Q CA 0.331 56.191 55.803 0.095 0.000 0.942 169 Q CB 0.296 29.058 28.738 0.040 0.000 1.083 169 Q HN 0.822 nan 8.270 nan 0.000 0.510 170 G N 0.768 109.615 108.800 0.078 0.000 2.141 170 G HA2 -0.250 3.711 3.960 0.000 0.000 0.242 170 G HA3 -0.250 3.711 3.960 0.000 0.000 0.242 170 G C -0.061 174.863 174.900 0.039 0.000 0.982 170 G CA -0.298 44.835 45.100 0.055 0.000 0.662 170 G HN 0.249 nan 8.290 nan 0.000 0.527 171 L N 2.069 123.314 121.223 0.036 0.000 2.331 171 L HA 0.399 4.739 4.340 0.000 0.000 0.278 171 L C -1.083 175.803 176.870 0.027 0.000 1.106 171 L CA -1.857 52.999 54.840 0.026 0.000 0.824 171 L CB 0.754 42.824 42.059 0.018 0.000 1.142 171 L HN 0.032 nan 8.230 nan 0.000 0.443 172 P HA 0.144 nan 4.420 nan 0.000 0.276 172 P C -0.192 177.120 177.300 0.020 0.000 1.252 172 P CA -0.532 62.581 63.100 0.021 0.000 0.802 172 P CB 0.885 32.595 31.700 0.016 0.000 1.035 173 N N 0.087 118.799 118.700 0.020 0.000 2.094 173 N HA -0.141 4.599 4.740 0.000 0.000 0.191 173 N C 1.109 176.629 175.510 0.016 0.000 1.023 173 N CA 1.227 54.289 53.050 0.020 0.000 0.857 173 N CB -0.440 38.057 38.487 0.017 0.000 1.013 173 N HN 0.499 nan 8.380 nan 0.000 0.426 177 A N 1.572 124.401 122.820 0.016 0.000 1.902 177 A HA -0.140 4.181 4.320 0.000 0.000 0.217 177 A C 2.152 179.742 177.584 0.011 0.000 1.181 177 A CA 1.955 54.003 52.037 0.017 0.000 0.623 177 A CB -0.497 18.513 19.000 0.015 0.000 0.818 177 A HN 0.387 nan 8.150 nan 0.000 0.443 178 R N -1.487 119.017 120.500 0.007 0.000 2.115 178 R HA -0.030 4.310 4.340 0.000 0.000 0.226 178 R C 2.383 178.683 176.300 0.000 0.000 1.100 178 R CA 1.279 57.381 56.100 0.003 0.000 0.980 178 R CB -0.185 30.117 30.300 0.002 0.000 0.875 178 R HN 0.398 nan 8.270 nan 0.000 0.445 179 R N 0.508 121.007 120.500 -0.002 0.000 2.090 179 R HA -0.031 4.309 4.340 0.000 0.000 0.228 179 R C 1.290 177.583 176.300 -0.010 0.000 1.110 179 R CA 1.210 57.305 56.100 -0.008 0.000 0.973 179 R CB -0.146 30.147 30.300 -0.012 0.000 0.869 179 R HN 0.064 nan 8.270 nan 0.000 0.440 180 L N 0.494 121.714 121.223 -0.006 0.000 2.592 180 L HA 0.157 4.497 4.340 0.000 0.000 0.227 180 L C -0.153 176.718 176.870 0.002 0.000 1.127 180 L CA 0.684 55.520 54.840 -0.007 0.000 0.884 180 L CB -0.477 41.580 42.059 -0.005 0.000 1.065 180 L HN 0.284 nan 8.230 nan 0.000 0.457 181 D N 0.476 120.879 120.400 0.004 0.000 2.705 181 D HA -0.212 4.428 4.640 0.000 0.000 0.240 181 D C -0.223 176.085 176.300 0.013 0.000 1.137 181 D CA 0.968 54.972 54.000 0.006 0.000 0.677 181 D CB -0.748 40.053 40.800 0.003 0.000 1.049 181 D HN 0.460 nan 8.370 nan 0.000 0.427 182 I N -4.006 116.575 120.570 0.018 0.000 3.195 182 I HA 0.638 4.808 4.170 0.000 0.000 0.313 182 I C 0.493 176.622 176.117 0.019 0.000 1.237 182 I CA -0.702 60.613 61.300 0.025 0.000 0.963 182 I CB 1.822 39.851 38.000 0.048 0.000 1.278 182 I HN 0.023 nan 8.210 nan 0.000 0.460 183 T N -1.765 112.797 114.554 0.014 0.000 2.813 183 T HA 0.173 4.523 4.350 0.000 0.000 0.297 183 T C 0.780 175.483 174.700 0.005 0.000 1.036 183 T CA 0.155 62.258 62.100 0.005 0.000 1.044 183 T CB 1.563 70.429 68.868 -0.003 0.000 0.993 183 T HN 0.913 nan 8.240 nan 0.000 0.535 184 E N 0.648 120.849 120.200 0.001 0.000 2.110 184 E HA -0.138 4.212 4.350 0.000 0.000 0.193 184 E C 2.212 178.804 176.600 -0.012 0.000 0.988 184 E CA 1.203 57.603 56.400 0.000 0.000 0.804 184 E CB -0.268 29.431 29.700 -0.001 0.000 0.745 184 E HN 0.731 nan 8.360 nan 0.000 0.458 185 S N -0.033 115.654 115.700 -0.022 0.000 2.365 185 S HA -0.193 4.277 4.470 0.000 0.000 0.225 185 S C 2.017 176.574 174.600 -0.071 0.000 1.039 185 S CA 1.777 59.952 58.200 -0.042 0.000 1.033 185 S CB -0.522 62.656 63.200 -0.038 0.000 0.887 185 S HN 0.389 nan 8.310 nan 0.000 0.447 186 T N 2.040 116.555 114.554 -0.065 0.000 2.746 186 T HA -0.054 4.296 4.350 0.000 0.000 0.267 186 T C 1.965 176.599 174.700 -0.111 0.000 1.039 186 T CA 1.236 63.263 62.100 -0.122 0.000 1.142 186 T CB -0.495 68.343 68.868 -0.050 0.000 0.866 186 T HN 0.194 nan 8.240 nan 0.000 0.444 187 V N 1.820 121.744 119.914 0.015 0.000 2.252 187 V HA -0.255 3.865 4.120 0.000 0.000 0.249 187 V C 2.447 178.553 176.094 0.020 0.000 1.056 187 V CA 1.740 64.088 62.300 0.080 0.000 1.022 187 V CB -0.564 31.293 31.823 0.057 0.000 0.641 187 V HN 0.499 nan 8.190 nan 0.000 0.445 188 K N -0.337 120.046 120.400 -0.028 0.000 2.160 188 K HA -0.160 4.160 4.320 0.000 0.000 0.206 188 K C 2.015 178.546 176.600 -0.115 0.000 1.047 188 K CA 1.460 57.718 56.287 -0.047 0.000 0.930 188 K CB -0.436 32.037 32.500 -0.045 0.000 0.720 188 K HN 0.377 nan 8.250 nan 0.000 0.450 189 V N 1.061 120.848 119.914 -0.211 0.000 2.307 189 V HA -0.233 3.887 4.120 0.000 0.000 0.245 189 V C 2.160 177.962 176.094 -0.487 0.000 1.045 189 V CA 1.661 63.715 62.300 -0.411 0.000 1.024 189 V CB -0.589 30.956 31.823 -0.463 0.000 0.651 189 V HN 0.349 nan 8.190 nan 0.000 0.449 190 H N -0.387 118.569 119.070 -0.190 0.000 2.387 190 H HA -0.091 4.465 4.556 0.000 0.000 0.299 190 H C 2.390 177.703 175.328 -0.025 0.000 1.090 190 H CA 1.771 57.775 56.048 -0.072 0.000 1.332 190 H CB -0.409 29.349 29.762 -0.006 0.000 1.386 190 H HN 0.298 nan 8.280 nan 0.000 0.516 191 V N 1.932 121.897 119.914 0.085 0.000 2.261 191 V HA -0.282 3.838 4.120 0.000 0.000 0.246 191 V C 2.578 178.703 176.094 0.053 0.000 1.047 191 V CA 2.380 64.722 62.300 0.070 0.000 1.015 191 V CB -0.438 31.412 31.823 0.045 0.000 0.642 191 V HN 0.530 nan 8.190 nan 0.000 0.446 192 K N -0.494 119.904 120.400 -0.004 0.000 2.147 192 K HA -0.143 4.177 4.320 0.000 0.000 0.205 192 K C 1.086 177.758 176.600 0.119 0.000 1.049 192 K CA 1.025 57.327 56.287 0.025 0.000 0.936 192 K CB -0.468 32.026 32.500 -0.011 0.000 0.722 192 K HN 0.589 nan 8.250 nan 0.000 0.446 196 K N 1.030 121.448 120.400 0.030 0.000 2.062 196 K HA -0.035 4.285 4.320 0.000 0.000 0.205 196 K C 0.695 177.286 176.600 -0.015 0.000 1.051 196 K CA 0.895 57.188 56.287 0.010 0.000 0.941 196 K CB 0.191 32.712 32.500 0.034 0.000 0.719 196 K HN 0.144 nan 8.250 nan 0.000 0.440 200 L N 1.342 122.485 121.223 -0.134 0.000 2.343 200 L HA 0.376 4.717 4.340 0.000 0.000 0.275 200 L C 1.270 178.114 176.870 -0.044 0.000 1.056 200 L CA -0.004 54.774 54.840 -0.103 0.000 0.804 200 L CB 1.250 43.254 42.059 -0.093 0.000 1.203 200 L HN 0.083 nan 8.230 nan 0.000 0.440 201 K N 0.407 120.791 120.400 -0.026 0.000 2.314 201 K HA 0.088 4.408 4.320 0.000 0.000 0.198 201 K C 0.286 176.891 176.600 0.007 0.000 1.045 201 K CA 0.441 56.723 56.287 -0.009 0.000 0.988 201 K CB 0.351 32.847 32.500 -0.007 0.000 0.783 201 K HN 0.733 nan 8.250 nan 0.000 0.484 202 S N -0.830 114.881 115.700 0.018 0.000 2.643 202 S HA 0.224 4.694 4.470 0.000 0.000 0.270 202 S C 0.470 175.101 174.600 0.052 0.000 1.166 202 S CA -1.107 57.112 58.200 0.031 0.000 0.815 202 S CB 1.561 64.779 63.200 0.030 0.000 1.139 202 S HN 0.210 nan 8.310 nan 0.000 0.472 203 R N 0.197 120.731 120.500 0.058 0.000 2.148 203 R HA 0.039 4.379 4.340 0.000 0.000 0.227 203 R C 1.303 177.660 176.300 0.094 0.000 1.103 203 R CA 1.469 57.617 56.100 0.079 0.000 0.983 203 R CB -1.118 29.223 30.300 0.068 0.000 0.874 203 R HN 0.406 nan 8.270 nan 0.000 0.451 204 V N 2.106 122.066 119.914 0.077 0.000 2.358 204 V HA -0.186 3.934 4.120 0.000 0.000 0.246 204 V C 2.260 178.418 176.094 0.107 0.000 1.047 204 V CA 2.009 64.359 62.300 0.083 0.000 1.035 204 V CB -0.472 31.387 31.823 0.059 0.000 0.658 204 V HN 0.384 nan 8.190 nan 0.000 0.452 205 E N 0.409 120.666 120.200 0.095 0.000 2.077 205 E HA -0.213 4.137 4.350 0.000 0.000 0.193 205 E C 2.362 179.075 176.600 0.188 0.000 0.989 205 E CA 1.341 57.806 56.400 0.110 0.000 0.800 205 E CB -0.315 29.420 29.700 0.058 0.000 0.746 205 E HN 0.603 nan 8.360 nan 0.000 0.452 206 A N 1.657 124.590 122.820 0.189 0.000 1.902 206 A HA -0.140 4.180 4.320 0.000 0.000 0.217 206 A C 2.412 180.187 177.584 0.319 0.000 1.181 206 A CA 1.783 54.006 52.037 0.309 0.000 0.623 206 A CB -0.607 18.538 19.000 0.242 0.000 0.818 206 A HN 0.295 nan 8.150 nan 0.000 0.443 207 A N -0.583 122.373 122.820 0.228 0.000 1.877 207 A HA -0.022 4.298 4.320 0.000 0.000 0.216 207 A C 2.233 179.987 177.584 0.283 0.000 1.186 207 A CA 1.860 54.036 52.037 0.232 0.000 0.620 207 A CB -1.031 18.087 19.000 0.196 0.000 0.822 207 A HN 0.423 nan 8.150 nan 0.000 0.443 208 V N -1.832 118.222 119.914 0.233 0.000 2.407 208 V HA -0.251 3.869 4.120 0.000 0.000 0.248 208 V C 2.200 178.430 176.094 0.227 0.000 1.055 208 V CA 1.928 64.353 62.300 0.208 0.000 1.049 208 V CB -0.961 30.952 31.823 0.149 0.000 0.662 208 V HN 0.880 nan 8.190 nan 0.000 0.455 209 W N 0.700 122.033 121.300 0.055 0.000 2.355 209 W HA -0.170 4.490 4.660 0.000 0.000 0.309 209 W C 2.267 178.776 176.519 -0.017 0.000 1.206 209 W CA 1.829 59.182 57.345 0.014 0.000 1.284 209 W CB -0.765 28.695 29.460 -0.001 0.000 1.145 209 W HN 0.046 nan 8.180 nan 0.000 0.502 210 V N 0.896 120.625 119.914 -0.307 0.000 2.392 210 V HA -0.357 3.763 4.120 0.000 0.000 0.249 210 V C 2.571 178.379 176.094 -0.477 0.000 1.059 210 V CA 2.342 64.271 62.300 -0.618 0.000 1.051 210 V CB -1.075 30.539 31.823 -0.347 0.000 0.658 210 V HN 0.285 nan 8.190 nan 0.000 0.455 211 H N -0.560 118.426 119.070 -0.140 0.000 2.403 211 H HA -0.041 4.515 4.556 0.000 0.000 0.298 211 H C 2.416 177.688 175.328 -0.094 0.000 1.059 211 H CA 1.509 57.505 56.048 -0.086 0.000 1.363 211 H CB 0.093 29.840 29.762 -0.025 0.000 1.410 211 H HN 0.546 nan 8.280 nan 0.000 0.528 212 Q N 0.695 120.512 119.800 0.028 0.000 1.967 212 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 212 Q C 1.900 177.861 176.000 -0.065 0.000 0.985 212 Q CA 1.306 57.114 55.803 0.009 0.000 0.839 212 Q CB 0.042 28.814 28.738 0.057 0.000 0.906 212 Q HN 0.225 nan 8.270 nan 0.000 0.423 213 E N 0.307 120.413 120.200 -0.158 0.000 2.516 213 E HA -0.008 4.343 4.350 0.000 0.000 0.199 213 E C -0.440 176.003 176.600 -0.261 0.000 1.069 213 E CA 0.108 56.390 56.400 -0.197 0.000 0.876 213 E CB -0.063 29.485 29.700 -0.255 0.000 0.843 213 E HN 0.152 nan 8.360 nan 0.000 0.530 214 R N -0.295 120.041 120.500 -0.274 0.000 3.333 214 R HA -0.233 4.107 4.340 0.000 0.000 0.256 214 R C 0.390 176.470 176.300 -0.367 0.000 1.010 214 R CA 0.139 56.085 56.100 -0.257 0.000 0.680 214 R CB -2.031 28.186 30.300 -0.138 0.000 1.102 214 R HN 0.182 nan 8.270 nan 0.000 0.440 215 I N -0.351 119.841 120.570 -0.631 0.000 2.248 215 I HA -0.212 3.958 4.170 0.000 0.000 0.248 215 I C 1.122 176.722 176.117 -0.862 0.000 1.107 215 I CA 1.906 62.672 61.300 -0.890 0.000 1.373 215 I CB -0.119 37.012 38.000 -1.448 0.000 1.055 215 I HN 0.129 nan 8.210 nan 0.000 0.418 216 F N 0.000 119.793 119.950 -0.262 0.000 2.286 216 F HA 0.000 4.527 4.527 0.000 0.000 0.279 216 F CA 0.000 57.889 58.000 -0.186 0.000 1.383 216 F CB 0.000 38.890 39.000 -0.183 0.000 1.145 216 F HN 0.000 nan 8.300 nan 0.000 0.574