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 1je8_1_B 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 0.000 176.356 176.300 0.094 0.000 0.893 151 R CA 0.000 56.065 56.100 -0.059 0.000 0.921 151 R CB 0.000 30.184 30.300 -0.193 0.000 0.687 152 D N 1.680 122.127 120.400 0.079 0.000 2.274 152 D HA 0.166 4.806 4.640 0.000 0.000 0.239 152 D C 1.179 177.573 176.300 0.156 0.000 1.104 152 D CA -0.532 53.539 54.000 0.119 0.000 0.840 152 D CB 1.902 42.741 40.800 0.065 0.000 1.100 152 D HN 0.119 nan 8.370 nan 0.000 0.477 153 V N 3.835 123.871 119.914 0.203 0.000 2.594 153 V HA -0.213 3.907 4.120 0.000 0.000 0.253 153 V C 1.690 177.863 176.094 0.133 0.000 1.069 153 V CA 1.680 64.099 62.300 0.199 0.000 1.082 153 V CB -0.958 30.889 31.823 0.039 0.000 0.680 153 V HN 0.657 nan 8.190 nan 0.000 0.469 154 N N 0.123 118.878 118.700 0.091 0.000 2.453 154 N HA -0.197 4.543 4.740 0.000 0.000 0.183 154 N C 1.882 177.431 175.510 0.065 0.000 1.041 154 N CA 0.605 53.698 53.050 0.072 0.000 0.900 154 N CB -0.132 38.385 38.487 0.050 0.000 0.961 154 N HN 0.602 nan 8.380 nan 0.000 0.443 155 Q N 0.874 120.714 119.800 0.067 0.000 2.436 155 Q HA -0.019 4.321 4.340 0.000 0.000 0.209 155 Q C 0.077 176.110 176.000 0.056 0.000 0.965 155 Q CA 0.339 56.171 55.803 0.049 0.000 0.910 155 Q CB 0.219 28.979 28.738 0.037 0.000 0.980 155 Q HN 0.371 nan 8.270 nan 0.000 0.491 156 L N 1.239 122.511 121.223 0.082 0.000 2.439 156 L HA 0.255 4.595 4.340 0.000 0.000 0.259 156 L C 0.752 177.666 176.870 0.074 0.000 1.129 156 L CA -0.606 54.288 54.840 0.090 0.000 0.803 156 L CB 1.082 43.220 42.059 0.132 0.000 1.161 156 L HN 0.088 nan 8.230 nan 0.000 0.462 157 T N -2.316 112.279 114.554 0.068 0.000 2.849 157 T HA 0.250 4.600 4.350 0.000 0.000 0.284 157 T C -1.982 172.735 174.700 0.028 0.000 1.004 157 T CA -1.647 60.482 62.100 0.048 0.000 1.021 157 T CB 1.349 70.251 68.868 0.056 0.000 1.013 157 T HN 0.312 nan 8.240 nan 0.000 0.527 158 P HA -0.109 nan 4.420 nan 0.000 0.214 158 P C 1.755 179.018 177.300 -0.061 0.000 1.163 158 P CA 0.852 63.944 63.100 -0.013 0.000 0.889 158 P CB 0.044 31.735 31.700 -0.015 0.000 0.790 159 R N 0.280 120.709 120.500 -0.118 0.000 2.096 159 R HA -0.140 4.200 4.340 0.000 0.000 0.235 159 R C 2.073 178.188 176.300 -0.309 0.000 1.127 159 R CA 1.672 57.603 56.100 -0.280 0.000 0.968 159 R CB -1.182 28.821 30.300 -0.496 0.000 0.861 159 R HN 0.212 nan 8.270 nan 0.000 0.440 160 E N -0.729 119.375 120.200 -0.161 0.000 2.153 160 E HA -0.123 4.227 4.350 0.000 0.000 0.194 160 E C 2.008 178.634 176.600 0.043 0.000 0.988 160 E CA 1.024 57.414 56.400 -0.017 0.000 0.811 160 E CB 0.032 29.788 29.700 0.093 0.000 0.746 160 E HN 0.242 nan 8.360 nan 0.000 0.466 161 R N 0.379 120.905 120.500 0.043 0.000 2.119 161 R HA -0.085 4.255 4.340 0.000 0.000 0.222 161 R C 1.516 177.781 176.300 -0.059 0.000 1.088 161 R CA 1.010 57.167 56.100 0.095 0.000 0.984 161 R CB 0.070 30.443 30.300 0.121 0.000 0.884 161 R HN 0.140 nan 8.270 nan 0.000 0.447 162 D N 0.789 121.130 120.400 -0.099 0.000 2.097 162 D HA -0.146 4.494 4.640 0.000 0.000 0.195 162 D C 1.868 178.111 176.300 -0.094 0.000 0.989 162 D CA 1.030 54.950 54.000 -0.133 0.000 0.827 162 D CB -0.046 40.679 40.800 -0.125 0.000 0.966 162 D HN 0.083 nan 8.370 nan 0.000 0.456 163 I N 0.802 121.340 120.570 -0.055 0.000 2.179 163 I HA -0.178 3.992 4.170 0.000 0.000 0.242 163 I C 2.611 178.757 176.117 0.048 0.000 1.088 163 I CA 0.623 61.926 61.300 0.005 0.000 1.357 163 I CB -1.042 36.984 38.000 0.044 0.000 1.051 163 I HN 0.102 nan 8.210 nan 0.000 0.409 164 L N 0.869 122.149 121.223 0.095 0.000 2.012 164 L HA -0.266 4.074 4.340 0.000 0.000 0.210 164 L C 2.707 179.672 176.870 0.159 0.000 1.073 164 L CA 1.765 56.724 54.840 0.198 0.000 0.748 164 L CB -0.256 42.016 42.059 0.355 0.000 0.891 164 L HN 0.250 nan 8.230 nan 0.000 0.431 165 K N -0.308 120.069 120.400 -0.038 0.000 2.032 165 K HA -0.207 4.113 4.320 0.000 0.000 0.209 165 K C 2.012 178.578 176.600 -0.057 0.000 1.048 165 K CA 1.377 57.539 56.287 -0.208 0.000 0.927 165 K CB -0.219 31.973 32.500 -0.514 0.000 0.712 165 K HN 0.331 nan 8.250 nan 0.000 0.441 166 L N 0.670 121.869 121.223 -0.040 0.000 2.093 166 L HA -0.149 4.191 4.340 0.000 0.000 0.208 166 L C 2.379 179.274 176.870 0.041 0.000 1.085 166 L CA 0.951 55.788 54.840 -0.005 0.000 0.755 166 L CB -0.398 41.655 42.059 -0.010 0.000 0.904 166 L HN 0.198 nan 8.230 nan 0.000 0.435 167 I N 0.247 120.858 120.570 0.068 0.000 2.252 167 I HA -0.247 3.923 4.170 0.000 0.000 0.245 167 I C 2.646 178.836 176.117 0.122 0.000 1.102 167 I CA 1.115 62.470 61.300 0.092 0.000 1.385 167 I CB -0.306 37.761 38.000 0.112 0.000 1.064 167 I HN 0.189 nan 8.210 nan 0.000 0.414 168 A N -0.321 122.595 122.820 0.160 0.000 2.172 168 A HA -0.174 4.146 4.320 0.000 0.000 0.216 168 A C 1.909 179.647 177.584 0.257 0.000 1.154 168 A CA 1.106 53.288 52.037 0.242 0.000 0.701 168 A CB -0.421 18.720 19.000 0.234 0.000 0.789 168 A HN 0.524 nan 8.150 nan 0.000 0.465 169 Q N -1.412 118.470 119.800 0.137 0.000 2.204 169 Q HA 0.316 4.656 4.340 0.000 0.000 0.209 169 Q C 0.882 176.924 176.000 0.070 0.000 0.861 169 Q CA 0.208 56.073 55.803 0.103 0.000 0.971 169 Q CB 0.293 29.062 28.738 0.050 0.000 1.095 169 Q HN 0.757 nan 8.270 nan 0.000 0.486 170 G N 1.196 110.038 108.800 0.071 0.000 2.198 170 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 170 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 170 G C -0.069 174.851 174.900 0.033 0.000 1.025 170 G CA 0.060 45.185 45.100 0.043 0.000 0.769 170 G HN 0.298 nan 8.290 nan 0.000 0.507 171 L N 1.464 122.708 121.223 0.036 0.000 2.312 171 L HA 0.459 4.799 4.340 0.000 0.000 0.281 171 L C -1.032 175.855 176.870 0.027 0.000 1.070 171 L CA -2.086 52.770 54.840 0.026 0.000 0.805 171 L CB 1.083 43.155 42.059 0.021 0.000 1.174 171 L HN 0.022 nan 8.230 nan 0.000 0.434 172 P HA 0.157 nan 4.420 nan 0.000 0.276 172 P C -0.220 177.092 177.300 0.020 0.000 1.261 172 P CA -0.538 62.574 63.100 0.020 0.000 0.800 172 P CB 0.855 32.564 31.700 0.015 0.000 1.066 173 N N -0.170 118.542 118.700 0.020 0.000 2.094 173 N HA -0.153 4.587 4.740 0.000 0.000 0.191 173 N C 1.070 176.589 175.510 0.016 0.000 1.023 173 N CA 1.260 54.322 53.050 0.020 0.000 0.857 173 N CB -0.508 37.988 38.487 0.015 0.000 1.013 173 N HN 0.511 nan 8.380 nan 0.000 0.426 177 A N 1.511 124.342 122.820 0.018 0.000 1.902 177 A HA -0.127 4.193 4.320 0.000 0.000 0.217 177 A C 2.158 179.750 177.584 0.012 0.000 1.181 177 A CA 1.919 53.967 52.037 0.018 0.000 0.623 177 A CB -0.453 18.556 19.000 0.015 0.000 0.818 177 A HN 0.374 nan 8.150 nan 0.000 0.443 178 R N -1.420 119.084 120.500 0.008 0.000 2.090 178 R HA -0.030 4.310 4.340 0.000 0.000 0.228 178 R C 2.405 178.706 176.300 0.002 0.000 1.110 178 R CA 1.317 57.420 56.100 0.005 0.000 0.973 178 R CB -0.214 30.088 30.300 0.004 0.000 0.869 178 R HN 0.399 nan 8.270 nan 0.000 0.440 179 R N 0.537 121.037 120.500 0.001 0.000 2.096 179 R HA -0.055 4.285 4.340 0.000 0.000 0.235 179 R C 1.284 177.579 176.300 -0.007 0.000 1.127 179 R CA 1.252 57.349 56.100 -0.005 0.000 0.968 179 R CB -0.181 30.114 30.300 -0.008 0.000 0.861 179 R HN 0.076 nan 8.270 nan 0.000 0.440 180 L N 0.353 121.575 121.223 -0.002 0.000 2.592 180 L HA 0.151 4.491 4.340 0.000 0.000 0.227 180 L C -0.031 176.842 176.870 0.005 0.000 1.127 180 L CA 0.807 55.646 54.840 -0.002 0.000 0.884 180 L CB -0.293 41.768 42.059 0.003 0.000 1.065 180 L HN 0.297 nan 8.230 nan 0.000 0.457 181 D N 0.166 120.569 120.400 0.006 0.000 2.772 181 D HA -0.223 4.417 4.640 0.000 0.000 0.233 181 D C -0.032 176.277 176.300 0.014 0.000 1.143 181 D CA 1.083 55.087 54.000 0.008 0.000 0.700 181 D CB -0.831 39.972 40.800 0.004 0.000 1.076 181 D HN 0.479 nan 8.370 nan 0.000 0.430 182 I N -4.286 116.296 120.570 0.020 0.000 3.108 182 I HA 0.661 4.831 4.170 0.000 0.000 0.312 182 I C 0.686 176.815 176.117 0.020 0.000 1.095 182 I CA -0.626 60.690 61.300 0.027 0.000 1.000 182 I CB 1.855 39.885 38.000 0.049 0.000 1.229 182 I HN 0.011 nan 8.210 nan 0.000 0.454 183 T N -1.765 112.797 114.554 0.014 0.000 2.860 183 T HA 0.164 4.514 4.350 0.000 0.000 0.299 183 T C 0.763 175.466 174.700 0.005 0.000 1.045 183 T CA -0.075 62.028 62.100 0.006 0.000 1.071 183 T CB 1.511 70.377 68.868 -0.003 0.000 0.985 183 T HN 0.892 nan 8.240 nan 0.000 0.537 184 E N 0.726 120.927 120.200 0.001 0.000 2.153 184 E HA -0.139 4.211 4.350 0.000 0.000 0.194 184 E C 2.133 178.725 176.600 -0.013 0.000 0.988 184 E CA 1.082 57.482 56.400 -0.000 0.000 0.811 184 E CB -0.192 29.507 29.700 -0.001 0.000 0.746 184 E HN 0.738 nan 8.360 nan 0.000 0.466 185 S N -0.079 115.608 115.700 -0.022 0.000 2.359 185 S HA -0.179 4.291 4.470 0.000 0.000 0.223 185 S C 2.023 176.580 174.600 -0.070 0.000 1.039 185 S CA 1.784 59.960 58.200 -0.041 0.000 1.042 185 S CB -0.513 62.665 63.200 -0.037 0.000 0.915 185 S HN 0.370 nan 8.310 nan 0.000 0.439 186 T N 1.994 116.508 114.554 -0.066 0.000 2.788 186 T HA -0.049 4.301 4.350 0.000 0.000 0.268 186 T C 1.913 176.547 174.700 -0.110 0.000 1.044 186 T CA 1.084 63.111 62.100 -0.121 0.000 1.139 186 T CB -0.419 68.418 68.868 -0.052 0.000 0.867 186 T HN 0.169 nan 8.240 nan 0.000 0.454 187 V N 1.418 121.334 119.914 0.004 0.000 2.287 187 V HA -0.206 3.914 4.120 0.000 0.000 0.248 187 V C 2.455 178.557 176.094 0.012 0.000 1.053 187 V CA 1.657 63.996 62.300 0.065 0.000 1.027 187 V CB -0.464 31.388 31.823 0.049 0.000 0.646 187 V HN 0.468 nan 8.190 nan 0.000 0.447 188 K N -0.444 119.934 120.400 -0.037 0.000 2.097 188 K HA -0.132 4.188 4.320 0.000 0.000 0.206 188 K C 2.029 178.554 176.600 -0.124 0.000 1.049 188 K CA 1.303 57.557 56.287 -0.055 0.000 0.933 188 K CB -0.346 32.123 32.500 -0.051 0.000 0.717 188 K HN 0.335 nan 8.250 nan 0.000 0.442 189 V N 1.059 120.839 119.914 -0.224 0.000 2.295 189 V HA -0.251 3.869 4.120 0.000 0.000 0.246 189 V C 2.146 177.934 176.094 -0.510 0.000 1.049 189 V CA 1.695 63.740 62.300 -0.425 0.000 1.024 189 V CB -0.569 30.974 31.823 -0.467 0.000 0.648 189 V HN 0.360 nan 8.190 nan 0.000 0.447 190 H N -0.426 118.535 119.070 -0.182 0.000 2.353 190 H HA -0.080 4.476 4.556 0.000 0.000 0.300 190 H C 2.410 177.727 175.328 -0.019 0.000 1.090 190 H CA 1.762 57.770 56.048 -0.065 0.000 1.327 190 H CB -0.471 29.292 29.762 0.001 0.000 1.383 190 H HN 0.297 nan 8.280 nan 0.000 0.508 191 V N 1.275 121.246 119.914 0.094 0.000 2.287 191 V HA -0.265 3.855 4.120 0.000 0.000 0.248 191 V C 2.634 178.760 176.094 0.053 0.000 1.053 191 V CA 2.098 64.443 62.300 0.075 0.000 1.027 191 V CB -0.461 31.390 31.823 0.047 0.000 0.646 191 V HN 0.330 nan 8.190 nan 0.000 0.447 192 K N -0.767 119.627 120.400 -0.011 0.000 2.032 192 K HA -0.167 4.153 4.320 0.000 0.000 0.209 192 K C 1.160 177.815 176.600 0.092 0.000 1.048 192 K CA 1.209 57.493 56.287 -0.004 0.000 0.927 192 K CB -0.225 32.227 32.500 -0.080 0.000 0.712 192 K HN 0.646 nan 8.250 nan 0.000 0.441 196 K N 1.946 122.364 120.400 0.031 0.000 2.026 196 K HA -0.068 4.252 4.320 0.000 0.000 0.208 196 K C 0.802 177.396 176.600 -0.010 0.000 1.048 196 K CA 1.208 57.504 56.287 0.013 0.000 0.929 196 K CB 0.176 32.699 32.500 0.038 0.000 0.713 196 K HN 0.108 nan 8.250 nan 0.000 0.439 200 L N 1.177 122.321 121.223 -0.131 0.000 2.325 200 L HA 0.404 4.744 4.340 0.000 0.000 0.278 200 L C 1.181 178.023 176.870 -0.046 0.000 1.023 200 L CA -0.221 54.556 54.840 -0.105 0.000 0.811 200 L CB 1.386 43.387 42.059 -0.096 0.000 1.249 200 L HN 0.079 nan 8.230 nan 0.000 0.431 201 K N 0.410 120.793 120.400 -0.029 0.000 2.361 201 K HA 0.145 4.465 4.320 0.000 0.000 0.196 201 K C 0.149 176.751 176.600 0.003 0.000 1.039 201 K CA 0.412 56.692 56.287 -0.012 0.000 1.001 201 K CB 0.326 32.819 32.500 -0.011 0.000 0.795 201 K HN 0.713 nan 8.250 nan 0.000 0.495 202 S N -0.768 114.940 115.700 0.013 0.000 2.611 202 S HA 0.196 4.666 4.470 0.000 0.000 0.268 202 S C 0.383 175.011 174.600 0.045 0.000 1.156 202 S CA -1.141 57.075 58.200 0.026 0.000 0.817 202 S CB 1.390 64.604 63.200 0.024 0.000 1.122 202 S HN 0.222 nan 8.310 nan 0.000 0.466 203 R N 0.295 120.826 120.500 0.051 0.000 2.193 203 R HA 0.009 4.349 4.340 0.000 0.000 0.229 203 R C 1.194 177.544 176.300 0.083 0.000 1.110 203 R CA 1.534 57.678 56.100 0.073 0.000 0.988 203 R CB -1.108 29.229 30.300 0.063 0.000 0.871 203 R HN 0.422 nan 8.270 nan 0.000 0.458 204 V N 1.818 121.770 119.914 0.063 0.000 2.379 204 V HA -0.152 3.968 4.120 0.000 0.000 0.245 204 V C 2.255 178.400 176.094 0.085 0.000 1.044 204 V CA 1.798 64.135 62.300 0.062 0.000 1.036 204 V CB -0.458 31.389 31.823 0.039 0.000 0.664 204 V HN 0.333 nan 8.190 nan 0.000 0.453 205 E N 0.757 121.004 120.200 0.080 0.000 2.077 205 E HA -0.214 4.136 4.350 0.000 0.000 0.193 205 E C 2.388 179.096 176.600 0.179 0.000 0.989 205 E CA 1.383 57.841 56.400 0.097 0.000 0.800 205 E CB -0.335 29.393 29.700 0.047 0.000 0.746 205 E HN 0.585 nan 8.360 nan 0.000 0.452 206 A N 1.674 124.600 122.820 0.178 0.000 1.908 206 A HA -0.173 4.147 4.320 0.000 0.000 0.218 206 A C 2.405 180.189 177.584 0.334 0.000 1.181 206 A CA 1.949 54.162 52.037 0.295 0.000 0.627 206 A CB -0.585 18.550 19.000 0.226 0.000 0.818 206 A HN 0.301 nan 8.150 nan 0.000 0.445 207 A N -0.786 122.173 122.820 0.232 0.000 1.898 207 A HA 0.067 4.387 4.320 0.000 0.000 0.216 207 A C 2.236 179.976 177.584 0.260 0.000 1.181 207 A CA 1.645 53.822 52.037 0.233 0.000 0.620 207 A CB -0.880 18.207 19.000 0.145 0.000 0.819 207 A HN 0.377 nan 8.150 nan 0.000 0.442 208 V N -1.729 118.296 119.914 0.186 0.000 2.295 208 V HA -0.252 3.868 4.120 0.000 0.000 0.246 208 V C 2.211 178.438 176.094 0.221 0.000 1.049 208 V CA 1.903 64.297 62.300 0.157 0.000 1.024 208 V CB -1.015 30.875 31.823 0.111 0.000 0.648 208 V HN 0.876 nan 8.190 nan 0.000 0.447 209 W N 0.875 122.213 121.300 0.062 0.000 2.317 209 W HA -0.237 4.423 4.660 0.000 0.000 0.318 209 W C 2.294 178.823 176.519 0.016 0.000 1.227 209 W CA 2.197 59.559 57.345 0.029 0.000 1.269 209 W CB -0.864 28.602 29.460 0.010 0.000 1.155 209 W HN 0.062 nan 8.180 nan 0.000 0.484 210 V N 0.688 120.479 119.914 -0.205 0.000 2.380 210 V HA -0.365 3.755 4.120 0.000 0.000 0.251 210 V C 2.209 178.093 176.094 -0.350 0.000 1.063 210 V CA 2.573 64.580 62.300 -0.488 0.000 1.055 210 V CB -1.165 30.551 31.823 -0.179 0.000 0.657 210 V HN 0.235 nan 8.190 nan 0.000 0.455 211 H N -0.683 118.305 119.070 -0.137 0.000 2.403 211 H HA -0.036 4.520 4.556 -0.000 0.000 0.298 211 H C 2.430 177.702 175.328 -0.093 0.000 1.059 211 H CA 1.393 57.390 56.048 -0.085 0.000 1.363 211 H CB -0.043 29.704 29.762 -0.025 0.000 1.410 211 H HN 0.466 nan 8.280 nan 0.000 0.528 212 Q N 0.187 120.010 119.800 0.039 0.000 2.016 212 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 212 Q C 1.238 177.200 176.000 -0.064 0.000 0.978 212 Q CA 1.272 57.083 55.803 0.012 0.000 0.833 212 Q CB 0.131 28.906 28.738 0.061 0.000 0.895 212 Q HN 0.341 nan 8.270 nan 0.000 0.427 213 E N 0.232 120.327 120.200 -0.175 0.000 2.476 213 E HA 0.065 4.415 4.350 0.000 0.000 0.191 213 E C -0.553 175.875 176.600 -0.285 0.000 1.064 213 E CA -0.071 56.198 56.400 -0.218 0.000 0.866 213 E CB -0.011 29.520 29.700 -0.282 0.000 0.952 213 E HN 0.148 nan 8.360 nan 0.000 0.492 214 R N -0.114 120.219 120.500 -0.277 0.000 3.301 214 R HA -0.235 4.105 4.340 0.000 0.000 0.249 214 R C 0.554 176.635 176.300 -0.364 0.000 0.964 214 R CA 0.071 56.011 56.100 -0.267 0.000 0.653 214 R CB -1.987 28.219 30.300 -0.158 0.000 1.043 214 R HN 0.158 nan 8.270 nan 0.000 0.454 215 I N -0.312 119.891 120.570 -0.611 0.000 2.194 215 I HA -0.244 3.926 4.170 0.000 0.000 0.246 215 I C 1.187 176.844 176.117 -0.768 0.000 1.093 215 I CA 1.868 62.658 61.300 -0.850 0.000 1.355 215 I CB -0.135 37.013 38.000 -1.420 0.000 1.046 215 I HN 0.134 nan 8.210 nan 0.000 0.413 216 F N 0.000 119.804 119.950 -0.244 0.000 2.286 216 F HA 0.000 4.527 4.527 0.000 0.000 0.279 216 F CA 0.000 57.896 58.000 -0.173 0.000 1.383 216 F CB 0.000 38.902 39.000 -0.163 0.000 1.145 216 F HN 0.000 nan 8.300 nan 0.000 0.574