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 1zg1_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 0.000 176.343 176.300 0.072 0.000 0.893 151 R CA 0.000 56.053 56.100 -0.079 0.000 0.921 151 R CB 0.000 30.165 30.300 -0.225 0.000 0.687 152 D N 3.065 123.517 120.400 0.087 0.000 2.757 152 D HA 0.217 4.857 4.640 0.000 0.000 0.249 152 D C 0.799 177.208 176.300 0.181 0.000 1.168 152 D CA -0.675 53.413 54.000 0.148 0.000 0.870 152 D CB 2.387 43.233 40.800 0.076 0.000 1.411 152 D HN 0.125 nan 8.370 nan 0.000 0.525 153 V N 3.618 123.671 119.914 0.232 0.000 2.720 153 V HA -0.173 3.947 4.120 0.000 0.000 0.256 153 V C 1.742 177.915 176.094 0.132 0.000 1.082 153 V CA 1.662 64.088 62.300 0.210 0.000 1.101 153 V CB -0.972 30.874 31.823 0.039 0.000 0.693 153 V HN 0.638 nan 8.190 nan 0.000 0.479 154 N N 0.111 118.864 118.700 0.088 0.000 2.364 154 N HA -0.185 4.555 4.740 0.000 0.000 0.183 154 N C 1.783 177.332 175.510 0.064 0.000 1.022 154 N CA 0.789 53.880 53.050 0.067 0.000 0.883 154 N CB -0.151 38.363 38.487 0.045 0.000 0.965 154 N HN 0.608 nan 8.380 nan 0.000 0.438 155 Q N 0.284 120.123 119.800 0.066 0.000 2.436 155 Q HA 0.056 4.396 4.340 0.000 0.000 0.209 155 Q C 0.297 176.331 176.000 0.058 0.000 0.965 155 Q CA 0.388 56.221 55.803 0.050 0.000 0.910 155 Q CB 0.223 28.984 28.738 0.038 0.000 0.980 155 Q HN 0.421 nan 8.270 nan 0.000 0.491 156 L N 0.696 121.969 121.223 0.085 0.000 2.468 156 L HA 0.188 4.528 4.340 0.000 0.000 0.254 156 L C 0.912 177.827 176.870 0.075 0.000 1.171 156 L CA -0.589 54.306 54.840 0.093 0.000 0.809 156 L CB 0.654 42.795 42.059 0.135 0.000 1.155 156 L HN 0.057 nan 8.230 nan 0.000 0.473 157 T N -2.812 111.783 114.554 0.068 0.000 2.847 157 T HA 0.279 4.629 4.350 0.000 0.000 0.279 157 T C -2.019 172.698 174.700 0.028 0.000 0.984 157 T CA -1.704 60.423 62.100 0.046 0.000 0.988 157 T CB 1.480 70.378 68.868 0.050 0.000 1.040 157 T HN 0.295 nan 8.240 nan 0.000 0.528 158 P HA -0.052 nan 4.420 nan 0.000 0.215 158 P C 1.731 178.996 177.300 -0.058 0.000 1.157 158 P CA 0.719 63.813 63.100 -0.011 0.000 0.868 158 P CB 0.048 31.741 31.700 -0.012 0.000 0.788 159 R N 0.519 120.954 120.500 -0.109 0.000 2.105 159 R HA -0.139 4.201 4.340 0.000 0.000 0.239 159 R C 2.033 178.159 176.300 -0.289 0.000 1.135 159 R CA 1.682 57.629 56.100 -0.255 0.000 0.967 159 R CB -1.171 28.871 30.300 -0.430 0.000 0.861 159 R HN 0.266 nan 8.270 nan 0.000 0.442 160 E N -0.660 119.442 120.200 -0.162 0.000 2.150 160 E HA -0.151 4.199 4.350 0.000 0.000 0.193 160 E C 2.071 178.690 176.600 0.032 0.000 0.985 160 E CA 0.949 57.330 56.400 -0.032 0.000 0.814 160 E CB -0.059 29.691 29.700 0.082 0.000 0.752 160 E HN 0.291 nan 8.360 nan 0.000 0.466 161 R N 0.632 121.154 120.500 0.037 0.000 2.153 161 R HA -0.084 4.256 4.340 0.000 0.000 0.218 161 R C 1.634 177.891 176.300 -0.072 0.000 1.072 161 R CA 0.898 57.047 56.100 0.083 0.000 0.990 161 R CB 0.032 30.409 30.300 0.128 0.000 0.889 161 R HN 0.121 nan 8.270 nan 0.000 0.452 162 D N 0.808 121.147 120.400 -0.103 0.000 2.097 162 D HA -0.148 4.492 4.640 0.000 0.000 0.195 162 D C 1.876 178.115 176.300 -0.102 0.000 0.989 162 D CA 1.036 54.956 54.000 -0.134 0.000 0.827 162 D CB -0.019 40.707 40.800 -0.124 0.000 0.966 162 D HN 0.068 nan 8.370 nan 0.000 0.456 163 I N 0.879 121.411 120.570 -0.063 0.000 2.163 163 I HA -0.184 3.986 4.170 0.000 0.000 0.240 163 I C 2.626 178.762 176.117 0.032 0.000 1.081 163 I CA 0.628 61.924 61.300 -0.006 0.000 1.353 163 I CB -1.143 36.876 38.000 0.033 0.000 1.054 163 I HN 0.110 nan 8.210 nan 0.000 0.407 164 L N 0.861 122.130 121.223 0.078 0.000 2.043 164 L HA -0.287 4.053 4.340 0.000 0.000 0.212 164 L C 2.667 179.604 176.870 0.113 0.000 1.075 164 L CA 1.872 56.813 54.840 0.168 0.000 0.752 164 L CB -0.294 41.956 42.059 0.317 0.000 0.891 164 L HN 0.287 nan 8.230 nan 0.000 0.432 165 K N -0.306 120.049 120.400 -0.076 0.000 2.032 165 K HA -0.203 4.117 4.320 0.000 0.000 0.209 165 K C 2.011 178.570 176.600 -0.068 0.000 1.048 165 K CA 1.364 57.519 56.287 -0.221 0.000 0.927 165 K CB -0.231 31.978 32.500 -0.486 0.000 0.712 165 K HN 0.322 nan 8.250 nan 0.000 0.441 166 L N 0.667 121.860 121.223 -0.050 0.000 2.201 166 L HA -0.145 4.195 4.340 0.000 0.000 0.212 166 L C 2.322 179.211 176.870 0.032 0.000 1.105 166 L CA 0.860 55.693 54.840 -0.012 0.000 0.775 166 L CB -0.333 41.717 42.059 -0.015 0.000 0.913 166 L HN 0.204 nan 8.230 nan 0.000 0.440 167 I N -0.009 120.596 120.570 0.058 0.000 2.286 167 I HA -0.212 3.958 4.170 0.000 0.000 0.245 167 I C 2.630 178.815 176.117 0.113 0.000 1.104 167 I CA 0.997 62.348 61.300 0.084 0.000 1.397 167 I CB -0.212 37.851 38.000 0.104 0.000 1.072 167 I HN 0.174 nan 8.210 nan 0.000 0.417 168 A N -0.449 122.463 122.820 0.153 0.000 2.172 168 A HA -0.168 4.152 4.320 0.000 0.000 0.216 168 A C 1.987 179.722 177.584 0.252 0.000 1.154 168 A CA 1.047 53.231 52.037 0.246 0.000 0.701 168 A CB -0.390 18.766 19.000 0.260 0.000 0.789 168 A HN 0.489 nan 8.150 nan 0.000 0.465 169 Q N -1.396 118.483 119.800 0.131 0.000 2.246 169 Q HA 0.279 4.619 4.340 0.000 0.000 0.202 169 Q C 0.918 176.952 176.000 0.057 0.000 0.883 169 Q CA 0.244 56.102 55.803 0.093 0.000 0.952 169 Q CB 0.167 28.932 28.738 0.045 0.000 1.078 169 Q HN 0.792 nan 8.270 nan 0.000 0.493 170 G N 1.102 109.936 108.800 0.057 0.000 2.179 170 G HA2 -0.275 3.685 3.960 0.000 0.000 0.257 170 G HA3 -0.275 3.685 3.960 0.000 0.000 0.257 170 G C -0.059 174.857 174.900 0.026 0.000 1.010 170 G CA -0.003 45.116 45.100 0.032 0.000 0.736 170 G HN 0.283 nan 8.290 nan 0.000 0.513 171 L N 1.455 122.696 121.223 0.029 0.000 2.312 171 L HA 0.454 4.794 4.340 0.000 0.000 0.281 171 L C -1.023 175.861 176.870 0.023 0.000 1.070 171 L CA -2.051 52.802 54.840 0.021 0.000 0.805 171 L CB 1.039 43.108 42.059 0.017 0.000 1.174 171 L HN 0.025 nan 8.230 nan 0.000 0.434 172 P HA 0.167 nan 4.420 nan 0.000 0.276 172 P C -0.221 177.090 177.300 0.018 0.000 1.261 172 P CA -0.523 62.587 63.100 0.018 0.000 0.800 172 P CB 0.868 32.575 31.700 0.013 0.000 1.066 173 N N -0.277 118.434 118.700 0.018 0.000 2.094 173 N HA -0.142 4.598 4.740 0.000 0.000 0.191 173 N C 1.062 176.581 175.510 0.015 0.000 1.023 173 N CA 1.225 54.286 53.050 0.018 0.000 0.857 173 N CB -0.582 37.914 38.487 0.014 0.000 1.013 173 N HN 0.499 nan 8.380 nan 0.000 0.426 177 A N 1.699 124.530 122.820 0.018 0.000 1.877 177 A HA -0.161 4.159 4.320 0.000 0.000 0.216 177 A C 2.164 179.756 177.584 0.013 0.000 1.186 177 A CA 2.124 54.173 52.037 0.019 0.000 0.620 177 A CB -0.545 18.465 19.000 0.016 0.000 0.822 177 A HN 0.372 nan 8.150 nan 0.000 0.443 178 R N -1.333 119.172 120.500 0.008 0.000 2.096 178 R HA -0.106 4.234 4.340 0.000 0.000 0.235 178 R C 2.434 178.735 176.300 0.002 0.000 1.127 178 R CA 1.546 57.649 56.100 0.005 0.000 0.968 178 R CB -0.256 30.046 30.300 0.003 0.000 0.861 178 R HN 0.417 nan 8.270 nan 0.000 0.440 179 R N 0.482 120.982 120.500 0.000 0.000 2.096 179 R HA -0.067 4.273 4.340 0.000 0.000 0.235 179 R C 1.308 177.604 176.300 -0.007 0.000 1.127 179 R CA 1.265 57.362 56.100 -0.005 0.000 0.968 179 R CB -0.197 30.098 30.300 -0.009 0.000 0.861 179 R HN 0.081 nan 8.270 nan 0.000 0.440 180 L N 0.330 121.552 121.223 -0.001 0.000 2.592 180 L HA 0.150 4.490 4.340 0.000 0.000 0.227 180 L C -0.113 176.761 176.870 0.007 0.000 1.127 180 L CA 0.695 55.535 54.840 -0.000 0.000 0.884 180 L CB -0.398 41.664 42.059 0.005 0.000 1.065 180 L HN 0.264 nan 8.230 nan 0.000 0.457 181 D N 0.305 120.709 120.400 0.007 0.000 2.699 181 D HA -0.213 4.427 4.640 0.000 0.000 0.239 181 D C -0.137 176.173 176.300 0.016 0.000 1.136 181 D CA 1.006 55.012 54.000 0.009 0.000 0.668 181 D CB -0.734 40.069 40.800 0.006 0.000 1.060 181 D HN 0.473 nan 8.370 nan 0.000 0.429 182 I N -4.473 116.109 120.570 0.021 0.000 3.174 182 I HA 0.654 4.824 4.170 0.000 0.000 0.313 182 I C 0.604 176.734 176.117 0.021 0.000 1.155 182 I CA -0.778 60.539 61.300 0.028 0.000 0.977 182 I CB 1.898 39.930 38.000 0.053 0.000 1.248 182 I HN -0.007 nan 8.210 nan 0.000 0.453 183 T N -2.017 112.546 114.554 0.015 0.000 2.849 183 T HA 0.212 4.562 4.350 0.000 0.000 0.284 183 T C 0.760 175.463 174.700 0.005 0.000 1.004 183 T CA -0.060 62.043 62.100 0.006 0.000 1.021 183 T CB 1.722 70.588 68.868 -0.003 0.000 1.013 183 T HN 0.901 nan 8.240 nan 0.000 0.527 184 E N 0.603 120.803 120.200 0.001 0.000 2.110 184 E HA -0.143 4.207 4.350 0.000 0.000 0.193 184 E C 2.174 178.765 176.600 -0.014 0.000 0.988 184 E CA 1.226 57.626 56.400 -0.000 0.000 0.804 184 E CB -0.258 29.441 29.700 -0.002 0.000 0.745 184 E HN 0.728 nan 8.360 nan 0.000 0.458 185 S N 0.007 115.693 115.700 -0.023 0.000 2.365 185 S HA -0.183 4.287 4.470 0.000 0.000 0.225 185 S C 2.013 176.570 174.600 -0.073 0.000 1.039 185 S CA 1.798 59.972 58.200 -0.042 0.000 1.033 185 S CB -0.487 62.691 63.200 -0.037 0.000 0.887 185 S HN 0.379 nan 8.310 nan 0.000 0.447 186 T N 1.864 116.378 114.554 -0.066 0.000 2.821 186 T HA -0.012 4.338 4.350 0.000 0.000 0.267 186 T C 1.936 176.566 174.700 -0.117 0.000 1.046 186 T CA 0.981 63.006 62.100 -0.124 0.000 1.139 186 T CB -0.365 68.469 68.868 -0.057 0.000 0.871 186 T HN 0.199 nan 8.240 nan 0.000 0.454 187 V N 1.598 121.514 119.914 0.003 0.000 2.295 187 V HA -0.205 3.915 4.120 0.000 0.000 0.246 187 V C 2.456 178.557 176.094 0.012 0.000 1.049 187 V CA 1.610 63.952 62.300 0.070 0.000 1.024 187 V CB -0.502 31.352 31.823 0.053 0.000 0.648 187 V HN 0.462 nan 8.190 nan 0.000 0.447 188 K N -0.273 120.104 120.400 -0.039 0.000 2.103 188 K HA -0.151 4.169 4.320 0.000 0.000 0.207 188 K C 2.041 178.561 176.600 -0.133 0.000 1.048 188 K CA 1.453 57.704 56.287 -0.060 0.000 0.930 188 K CB -0.406 32.060 32.500 -0.056 0.000 0.716 188 K HN 0.361 nan 8.250 nan 0.000 0.444 189 V N 1.162 120.935 119.914 -0.234 0.000 2.261 189 V HA -0.277 3.843 4.120 0.000 0.000 0.246 189 V C 2.185 177.977 176.094 -0.504 0.000 1.047 189 V CA 1.797 63.835 62.300 -0.437 0.000 1.015 189 V CB -0.671 30.868 31.823 -0.474 0.000 0.642 189 V HN 0.359 nan 8.190 nan 0.000 0.446 190 H N -0.313 118.645 119.070 -0.186 0.000 2.352 190 H HA -0.114 4.442 4.556 0.000 0.000 0.299 190 H C 2.432 177.746 175.328 -0.023 0.000 1.097 190 H CA 1.859 57.871 56.048 -0.060 0.000 1.311 190 H CB -0.604 29.161 29.762 0.005 0.000 1.377 190 H HN 0.298 nan 8.280 nan 0.000 0.504 191 V N 1.322 121.291 119.914 0.092 0.000 2.287 191 V HA -0.264 3.856 4.120 0.000 0.000 0.248 191 V C 2.659 178.780 176.094 0.045 0.000 1.053 191 V CA 2.130 64.472 62.300 0.071 0.000 1.027 191 V CB -0.468 31.383 31.823 0.045 0.000 0.646 191 V HN 0.368 nan 8.190 nan 0.000 0.447 192 K N -0.563 119.823 120.400 -0.023 0.000 2.032 192 K HA -0.173 4.147 4.320 0.000 0.000 0.209 192 K C 1.152 177.799 176.600 0.079 0.000 1.048 192 K CA 1.235 57.513 56.287 -0.015 0.000 0.927 192 K CB -0.296 32.150 32.500 -0.089 0.000 0.712 192 K HN 0.638 nan 8.250 nan 0.000 0.441 196 K N 1.926 122.346 120.400 0.033 0.000 2.057 196 K HA -0.059 4.261 4.320 0.000 0.000 0.206 196 K C 0.815 177.412 176.600 -0.006 0.000 1.050 196 K CA 1.116 57.413 56.287 0.017 0.000 0.935 196 K CB 0.220 32.747 32.500 0.044 0.000 0.715 196 K HN 0.105 nan 8.250 nan 0.000 0.439 200 L N 1.313 122.453 121.223 -0.139 0.000 2.334 200 L HA 0.380 4.720 4.340 0.000 0.000 0.275 200 L C 1.252 178.093 176.870 -0.048 0.000 1.036 200 L CA -0.092 54.683 54.840 -0.109 0.000 0.807 200 L CB 1.242 43.240 42.059 -0.102 0.000 1.231 200 L HN 0.055 nan 8.230 nan 0.000 0.438 201 K N 0.449 120.831 120.400 -0.031 0.000 2.365 201 K HA 0.110 4.430 4.320 0.000 0.000 0.197 201 K C 0.170 176.771 176.600 0.002 0.000 1.042 201 K CA 0.475 56.755 56.287 -0.013 0.000 0.987 201 K CB 0.295 32.788 32.500 -0.011 0.000 0.779 201 K HN 0.732 nan 8.250 nan 0.000 0.484 202 S N -0.902 114.805 115.700 0.012 0.000 2.615 202 S HA 0.178 4.648 4.470 0.000 0.000 0.268 202 S C 0.398 175.025 174.600 0.045 0.000 1.146 202 S CA -1.117 57.098 58.200 0.025 0.000 0.818 202 S CB 1.325 64.538 63.200 0.023 0.000 1.111 202 S HN 0.223 nan 8.310 nan 0.000 0.465 203 R N 0.308 120.838 120.500 0.051 0.000 2.152 203 R HA 0.007 4.347 4.340 0.000 0.000 0.232 203 R C 1.282 177.632 176.300 0.083 0.000 1.117 203 R CA 1.591 57.734 56.100 0.073 0.000 0.981 203 R CB -1.132 29.205 30.300 0.062 0.000 0.870 203 R HN 0.415 nan 8.270 nan 0.000 0.451 204 V N 1.998 121.950 119.914 0.063 0.000 2.323 204 V HA -0.177 3.943 4.120 0.000 0.000 0.244 204 V C 2.289 178.435 176.094 0.087 0.000 1.041 204 V CA 1.943 64.280 62.300 0.062 0.000 1.025 204 V CB -0.548 31.298 31.823 0.039 0.000 0.656 204 V HN 0.342 nan 8.190 nan 0.000 0.451 205 E N 0.738 120.984 120.200 0.078 0.000 2.097 205 E HA -0.264 4.086 4.350 0.000 0.000 0.196 205 E C 2.344 179.047 176.600 0.172 0.000 1.000 205 E CA 1.490 57.946 56.400 0.094 0.000 0.804 205 E CB -0.369 29.358 29.700 0.045 0.000 0.740 205 E HN 0.598 nan 8.360 nan 0.000 0.454 206 A N 1.541 124.465 122.820 0.173 0.000 1.940 206 A HA -0.132 4.188 4.320 0.000 0.000 0.219 206 A C 2.396 180.183 177.584 0.338 0.000 1.176 206 A CA 1.824 54.034 52.037 0.288 0.000 0.631 206 A CB -0.533 18.601 19.000 0.223 0.000 0.814 206 A HN 0.301 nan 8.150 nan 0.000 0.446 207 A N -0.751 122.208 122.820 0.232 0.000 1.897 207 A HA 0.071 4.391 4.320 0.000 0.000 0.215 207 A C 2.199 179.940 177.584 0.263 0.000 1.181 207 A CA 1.613 53.789 52.037 0.230 0.000 0.620 207 A CB -0.810 18.269 19.000 0.132 0.000 0.821 207 A HN 0.376 nan 8.150 nan 0.000 0.443 208 V N -1.735 118.295 119.914 0.193 0.000 2.427 208 V HA -0.227 3.893 4.120 0.000 0.000 0.248 208 V C 2.163 178.400 176.094 0.239 0.000 1.051 208 V CA 1.744 64.146 62.300 0.170 0.000 1.048 208 V CB -0.940 30.954 31.823 0.117 0.000 0.666 208 V HN 0.868 nan 8.190 nan 0.000 0.456 209 W N 0.976 122.320 121.300 0.073 0.000 2.329 209 W HA -0.217 4.443 4.660 0.000 0.000 0.324 209 W C 2.310 178.847 176.519 0.031 0.000 1.222 209 W CA 2.116 59.485 57.345 0.040 0.000 1.270 209 W CB -0.988 28.485 29.460 0.022 0.000 1.167 209 W HN 0.045 nan 8.180 nan 0.000 0.467 210 V N 1.027 120.831 119.914 -0.183 0.000 2.370 210 V HA -0.397 3.723 4.120 0.000 0.000 0.252 210 V C 2.269 178.148 176.094 -0.358 0.000 1.068 210 V CA 2.623 64.635 62.300 -0.480 0.000 1.061 210 V CB -1.246 30.486 31.823 -0.151 0.000 0.656 210 V HN 0.274 nan 8.190 nan 0.000 0.455 211 H N -0.655 118.344 119.070 -0.118 0.000 2.343 211 H HA -0.044 4.512 4.556 -0.000 0.000 0.303 211 H C 2.437 177.719 175.328 -0.077 0.000 1.068 211 H CA 1.534 57.539 56.048 -0.072 0.000 1.359 211 H CB -0.113 29.640 29.762 -0.015 0.000 1.402 211 H HN 0.470 nan 8.280 nan 0.000 0.515 212 Q N 0.103 119.940 119.800 0.062 0.000 2.079 212 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 212 Q C 1.374 177.351 176.000 -0.038 0.000 0.974 212 Q CA 1.208 57.031 55.803 0.032 0.000 0.840 212 Q CB 0.135 28.918 28.738 0.075 0.000 0.898 212 Q HN 0.308 nan 8.270 nan 0.000 0.430 213 E N 0.255 120.379 120.200 -0.127 0.000 2.494 213 E HA 0.024 4.374 4.350 0.000 0.000 0.193 213 E C -0.499 175.943 176.600 -0.263 0.000 1.074 213 E CA -0.061 56.227 56.400 -0.187 0.000 0.867 213 E CB 0.064 29.598 29.700 -0.277 0.000 0.924 213 E HN 0.111 nan 8.360 nan 0.000 0.502 214 R N 0.070 120.420 120.500 -0.250 0.000 3.405 214 R HA -0.219 4.121 4.340 0.000 0.000 0.258 214 R C 0.516 176.606 176.300 -0.351 0.000 1.030 214 R CA 0.398 56.349 56.100 -0.248 0.000 0.691 214 R CB -2.022 28.187 30.300 -0.151 0.000 1.093 214 R HN 0.251 nan 8.270 nan 0.000 0.448 215 I N -0.722 119.507 120.570 -0.568 0.000 2.264 215 I HA -0.166 4.004 4.170 0.000 0.000 0.248 215 I C 1.302 176.904 176.117 -0.858 0.000 1.111 215 I CA 1.728 62.523 61.300 -0.841 0.000 1.382 215 I CB -0.490 36.709 38.000 -1.334 0.000 1.060 215 I HN 0.018 nan 8.210 nan 0.000 0.418 216 F N 0.000 119.791 119.950 -0.266 0.000 2.286 216 F HA 0.000 4.527 4.527 0.000 0.000 0.279 216 F CA 0.000 57.886 58.000 -0.191 0.000 1.383 216 F CB 0.000 38.893 39.000 -0.178 0.000 1.145 216 F HN 0.000 nan 8.300 nan 0.000 0.574