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_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 0.000 176.367 176.300 0.111 0.000 0.893 151 R CA 0.000 56.060 56.100 -0.066 0.000 0.921 151 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 152 D N 0.597 121.037 120.400 0.066 0.000 2.347 152 D HA 0.057 4.697 4.640 0.000 0.000 0.235 152 D C 0.740 177.126 176.300 0.143 0.000 1.149 152 D CA 0.054 54.114 54.000 0.101 0.000 0.850 152 D CB 1.814 42.645 40.800 0.052 0.000 1.061 152 D HN 0.116 nan 8.370 nan 0.000 0.487 153 V N 5.053 125.087 119.914 0.200 0.000 2.970 153 V HA -0.135 3.986 4.120 0.000 0.000 0.260 153 V C 1.463 177.640 176.094 0.138 0.000 1.100 153 V CA 1.164 63.591 62.300 0.212 0.000 1.122 153 V CB -0.308 31.567 31.823 0.087 0.000 0.721 153 V HN 0.497 nan 8.190 nan 0.000 0.483 154 N N -0.160 118.598 118.700 0.097 0.000 2.457 154 N HA -0.099 4.642 4.740 0.000 0.000 0.180 154 N C 1.610 177.158 175.510 0.064 0.000 1.050 154 N CA 0.753 53.848 53.050 0.075 0.000 0.906 154 N CB -0.081 38.438 38.487 0.054 0.000 0.968 154 N HN 0.615 nan 8.380 nan 0.000 0.445 155 Q N 0.239 120.077 119.800 0.064 0.000 2.488 155 Q HA 0.124 4.464 4.340 0.000 0.000 0.211 155 Q C 0.317 176.347 176.000 0.051 0.000 0.967 155 Q CA 0.326 56.156 55.803 0.045 0.000 0.926 155 Q CB 0.245 29.002 28.738 0.031 0.000 0.992 155 Q HN 0.335 nan 8.270 nan 0.000 0.506 156 L N 0.308 121.577 121.223 0.077 0.000 2.439 156 L HA 0.229 4.569 4.340 0.000 0.000 0.259 156 L C 0.794 177.704 176.870 0.067 0.000 1.129 156 L CA -0.721 54.169 54.840 0.084 0.000 0.803 156 L CB 0.838 42.973 42.059 0.126 0.000 1.161 156 L HN 0.042 nan 8.230 nan 0.000 0.462 157 T N -2.707 111.883 114.554 0.060 0.000 2.874 157 T HA 0.267 4.617 4.350 0.000 0.000 0.281 157 T C -2.016 172.696 174.700 0.021 0.000 0.994 157 T CA -1.716 60.408 62.100 0.040 0.000 1.015 157 T CB 1.366 70.261 68.868 0.046 0.000 1.028 157 T HN 0.311 nan 8.240 nan 0.000 0.523 158 P HA -0.092 nan 4.420 nan 0.000 0.215 158 P C 1.704 178.966 177.300 -0.063 0.000 1.157 158 P CA 0.780 63.870 63.100 -0.018 0.000 0.874 158 P CB 0.066 31.756 31.700 -0.018 0.000 0.790 159 R N 0.290 120.721 120.500 -0.115 0.000 2.115 159 R HA -0.110 4.230 4.340 0.000 0.000 0.230 159 R C 2.061 178.176 176.300 -0.307 0.000 1.111 159 R CA 1.600 57.537 56.100 -0.272 0.000 0.976 159 R CB -1.118 28.906 30.300 -0.460 0.000 0.870 159 R HN 0.205 nan 8.270 nan 0.000 0.445 160 E N -0.678 119.426 120.200 -0.161 0.000 2.110 160 E HA -0.129 4.221 4.350 0.000 0.000 0.193 160 E C 2.048 178.673 176.600 0.042 0.000 0.988 160 E CA 1.050 57.435 56.400 -0.024 0.000 0.804 160 E CB 0.014 29.764 29.700 0.083 0.000 0.745 160 E HN 0.236 nan 8.360 nan 0.000 0.458 161 R N 0.502 121.031 120.500 0.048 0.000 2.090 161 R HA -0.107 4.233 4.340 0.000 0.000 0.228 161 R C 1.676 177.957 176.300 -0.031 0.000 1.110 161 R CA 1.186 57.351 56.100 0.108 0.000 0.973 161 R CB -0.019 30.349 30.300 0.112 0.000 0.869 161 R HN 0.145 nan 8.270 nan 0.000 0.440 162 D N 0.748 121.095 120.400 -0.087 0.000 2.104 162 D HA -0.174 4.466 4.640 0.000 0.000 0.194 162 D C 1.868 178.122 176.300 -0.076 0.000 0.994 162 D CA 1.094 55.023 54.000 -0.118 0.000 0.830 162 D CB -0.100 40.630 40.800 -0.118 0.000 0.959 162 D HN 0.089 nan 8.370 nan 0.000 0.452 163 I N 0.467 121.012 120.570 -0.042 0.000 2.142 163 I HA -0.191 3.979 4.170 0.000 0.000 0.240 163 I C 2.513 178.671 176.117 0.068 0.000 1.078 163 I CA 0.616 61.927 61.300 0.018 0.000 1.343 163 I CB -1.171 36.858 38.000 0.049 0.000 1.046 163 I HN 0.064 nan 8.210 nan 0.000 0.405 164 L N 1.198 122.495 121.223 0.124 0.000 2.042 164 L HA -0.213 4.127 4.340 0.000 0.000 0.210 164 L C 2.507 179.506 176.870 0.216 0.000 1.076 164 L CA 1.921 56.894 54.840 0.221 0.000 0.749 164 L CB -0.677 41.592 42.059 0.351 0.000 0.893 164 L HN 0.135 nan 8.230 nan 0.000 0.432 165 K N -0.798 119.645 120.400 0.071 0.000 2.032 165 K HA -0.168 4.152 4.320 0.000 0.000 0.209 165 K C 2.052 178.647 176.600 -0.010 0.000 1.048 165 K CA 1.857 58.085 56.287 -0.100 0.000 0.927 165 K CB -0.385 31.869 32.500 -0.410 0.000 0.712 165 K HN 0.348 nan 8.250 nan 0.000 0.441 166 L N 0.735 121.952 121.223 -0.010 0.000 2.083 166 L HA -0.167 4.173 4.340 0.000 0.000 0.209 166 L C 2.392 179.295 176.870 0.054 0.000 1.083 166 L CA 1.013 55.861 54.840 0.013 0.000 0.752 166 L CB -0.445 41.616 42.059 0.005 0.000 0.899 166 L HN 0.208 nan 8.230 nan 0.000 0.433 167 I N 0.246 120.864 120.570 0.080 0.000 2.226 167 I HA -0.272 3.898 4.170 0.000 0.000 0.245 167 I C 2.731 178.923 176.117 0.125 0.000 1.100 167 I CA 1.164 62.524 61.300 0.099 0.000 1.374 167 I CB -0.347 37.724 38.000 0.118 0.000 1.057 167 I HN 0.202 nan 8.210 nan 0.000 0.413 168 A N -0.253 122.659 122.820 0.153 0.000 2.125 168 A HA -0.215 4.105 4.320 0.000 0.000 0.219 168 A C 2.021 179.748 177.584 0.238 0.000 1.156 168 A CA 1.307 53.468 52.037 0.208 0.000 0.671 168 A CB -0.444 18.651 19.000 0.159 0.000 0.794 168 A HN 0.516 nan 8.150 nan 0.000 0.459 169 Q N -1.556 118.326 119.800 0.138 0.000 2.246 169 Q HA 0.315 4.655 4.340 0.000 0.000 0.202 169 Q C 0.926 176.971 176.000 0.076 0.000 0.883 169 Q CA 0.307 56.174 55.803 0.107 0.000 0.952 169 Q CB 0.221 28.994 28.738 0.057 0.000 1.078 169 Q HN 0.804 nan 8.270 nan 0.000 0.493 170 G N 0.903 109.751 108.800 0.079 0.000 2.147 170 G HA2 -0.275 3.686 3.960 0.000 0.000 0.244 170 G HA3 -0.275 3.686 3.960 0.000 0.000 0.244 170 G C -0.109 174.815 174.900 0.040 0.000 1.005 170 G CA -0.142 44.989 45.100 0.052 0.000 0.713 170 G HN 0.282 nan 8.290 nan 0.000 0.515 171 L N 1.824 123.072 121.223 0.042 0.000 2.326 171 L HA 0.438 4.779 4.340 0.000 0.000 0.278 171 L C -1.028 175.862 176.870 0.033 0.000 1.092 171 L CA -2.009 52.850 54.840 0.032 0.000 0.810 171 L CB 1.030 43.105 42.059 0.028 0.000 1.153 171 L HN 0.029 nan 8.230 nan 0.000 0.439 172 P HA 0.149 nan 4.420 nan 0.000 0.276 172 P C -0.242 177.073 177.300 0.025 0.000 1.252 172 P CA -0.536 62.579 63.100 0.025 0.000 0.802 172 P CB 0.849 32.560 31.700 0.019 0.000 1.035 173 N N -0.083 118.632 118.700 0.025 0.000 2.137 173 N HA -0.150 4.590 4.740 0.000 0.000 0.190 173 N C 1.056 176.578 175.510 0.020 0.000 1.017 173 N CA 1.231 54.296 53.050 0.025 0.000 0.859 173 N CB -0.468 38.031 38.487 0.020 0.000 1.002 173 N HN 0.513 nan 8.380 nan 0.000 0.428 177 A N 1.566 124.400 122.820 0.024 0.000 1.902 177 A HA -0.151 4.169 4.320 0.000 0.000 0.217 177 A C 2.146 179.740 177.584 0.017 0.000 1.181 177 A CA 2.031 54.082 52.037 0.024 0.000 0.623 177 A CB -0.494 18.517 19.000 0.019 0.000 0.818 177 A HN 0.383 nan 8.150 nan 0.000 0.443 178 R N -1.408 119.099 120.500 0.012 0.000 2.115 178 R HA -0.050 4.290 4.340 0.000 0.000 0.226 178 R C 2.405 178.708 176.300 0.006 0.000 1.100 178 R CA 1.327 57.432 56.100 0.008 0.000 0.980 178 R CB -0.211 30.093 30.300 0.007 0.000 0.875 178 R HN 0.421 nan 8.270 nan 0.000 0.445 179 R N 0.666 121.169 120.500 0.006 0.000 2.075 179 R HA -0.052 4.288 4.340 0.000 0.000 0.232 179 R C 1.371 177.670 176.300 -0.001 0.000 1.126 179 R CA 1.374 57.474 56.100 0.000 0.000 0.963 179 R CB -0.308 29.991 30.300 -0.002 0.000 0.858 179 R HN 0.075 nan 8.270 nan 0.000 0.435 180 L N 0.707 121.933 121.223 0.004 0.000 2.591 180 L HA 0.139 4.479 4.340 0.000 0.000 0.228 180 L C -0.032 176.845 176.870 0.011 0.000 1.133 180 L CA 0.884 55.727 54.840 0.005 0.000 0.880 180 L CB -0.627 41.438 42.059 0.011 0.000 1.033 180 L HN 0.346 nan 8.230 nan 0.000 0.450 181 D N 0.252 120.659 120.400 0.012 0.000 2.699 181 D HA -0.220 4.420 4.640 0.000 0.000 0.239 181 D C -0.105 176.206 176.300 0.018 0.000 1.136 181 D CA 0.931 54.938 54.000 0.012 0.000 0.668 181 D CB -0.807 39.998 40.800 0.008 0.000 1.060 181 D HN 0.474 nan 8.370 nan 0.000 0.429 182 I N -4.123 116.462 120.570 0.025 0.000 3.145 182 I HA 0.647 4.817 4.170 0.000 0.000 0.313 182 I C 0.813 176.943 176.117 0.023 0.000 1.122 182 I CA -0.712 60.606 61.300 0.031 0.000 0.987 182 I CB 1.790 39.823 38.000 0.056 0.000 1.236 182 I HN 0.017 nan 8.210 nan 0.000 0.453 183 T N -1.862 112.700 114.554 0.015 0.000 2.813 183 T HA 0.131 4.481 4.350 0.000 0.000 0.297 183 T C 0.752 175.455 174.700 0.006 0.000 1.036 183 T CA 0.018 62.122 62.100 0.006 0.000 1.044 183 T CB 1.390 70.256 68.868 -0.004 0.000 0.993 183 T HN 0.899 nan 8.240 nan 0.000 0.535 184 E N 0.288 120.489 120.200 0.001 0.000 2.204 184 E HA -0.109 4.241 4.350 0.000 0.000 0.194 184 E C 2.151 178.743 176.600 -0.014 0.000 0.989 184 E CA 0.870 57.271 56.400 0.001 0.000 0.824 184 E CB -0.183 29.517 29.700 0.000 0.000 0.756 184 E HN 0.717 nan 8.360 nan 0.000 0.477 185 S N -0.025 115.661 115.700 -0.024 0.000 2.359 185 S HA -0.168 4.302 4.470 0.000 0.000 0.224 185 S C 2.011 176.565 174.600 -0.076 0.000 1.035 185 S CA 1.723 59.897 58.200 -0.044 0.000 1.018 185 S CB -0.461 62.715 63.200 -0.040 0.000 0.876 185 S HN 0.359 nan 8.310 nan 0.000 0.448 186 T N 2.117 116.626 114.554 -0.075 0.000 2.708 186 T HA -0.053 4.297 4.350 0.000 0.000 0.266 186 T C 1.965 176.581 174.700 -0.140 0.000 1.037 186 T CA 1.202 63.217 62.100 -0.143 0.000 1.146 186 T CB -0.487 68.338 68.868 -0.072 0.000 0.865 186 T HN 0.171 nan 8.240 nan 0.000 0.435 187 V N 1.573 121.488 119.914 0.002 0.000 2.282 187 V HA -0.244 3.876 4.120 0.000 0.000 0.249 187 V C 2.466 178.571 176.094 0.018 0.000 1.057 187 V CA 1.732 64.079 62.300 0.077 0.000 1.032 187 V CB -0.522 31.337 31.823 0.060 0.000 0.645 187 V HN 0.475 nan 8.190 nan 0.000 0.447 188 K N -0.506 119.875 120.400 -0.032 0.000 2.103 188 K HA -0.155 4.165 4.320 0.000 0.000 0.207 188 K C 2.008 178.537 176.600 -0.119 0.000 1.048 188 K CA 1.417 57.672 56.287 -0.052 0.000 0.930 188 K CB -0.354 32.115 32.500 -0.051 0.000 0.716 188 K HN 0.357 nan 8.250 nan 0.000 0.444 189 V N 0.847 120.634 119.914 -0.213 0.000 2.307 189 V HA -0.228 3.892 4.120 0.000 0.000 0.245 189 V C 2.111 177.942 176.094 -0.438 0.000 1.045 189 V CA 1.628 63.692 62.300 -0.393 0.000 1.024 189 V CB -0.535 31.032 31.823 -0.427 0.000 0.651 189 V HN 0.352 nan 8.190 nan 0.000 0.449 190 H N -0.385 118.601 119.070 -0.140 0.000 2.353 190 H HA -0.083 4.473 4.556 0.000 0.000 0.300 190 H C 2.391 177.717 175.328 -0.004 0.000 1.090 190 H CA 1.733 57.764 56.048 -0.028 0.000 1.327 190 H CB -0.441 29.334 29.762 0.023 0.000 1.383 190 H HN 0.290 nan 8.280 nan 0.000 0.508 191 V N 1.954 121.927 119.914 0.098 0.000 2.295 191 V HA -0.274 3.846 4.120 0.000 0.000 0.246 191 V C 2.541 178.665 176.094 0.050 0.000 1.049 191 V CA 2.335 64.680 62.300 0.076 0.000 1.024 191 V CB -0.429 31.424 31.823 0.050 0.000 0.648 191 V HN 0.538 nan 8.190 nan 0.000 0.447 192 K N -0.543 119.847 120.400 -0.016 0.000 2.148 192 K HA -0.128 4.192 4.320 0.000 0.000 0.204 192 K C 1.057 177.706 176.600 0.082 0.000 1.050 192 K CA 0.915 57.201 56.287 -0.003 0.000 0.942 192 K CB -0.406 32.062 32.500 -0.052 0.000 0.724 192 K HN 0.575 nan 8.250 nan 0.000 0.446 196 K N 1.112 121.531 120.400 0.031 0.000 2.001 196 K HA -0.049 4.271 4.320 0.000 0.000 0.208 196 K C 0.728 177.322 176.600 -0.010 0.000 1.048 196 K CA 0.998 57.294 56.287 0.015 0.000 0.932 196 K CB 0.184 32.711 32.500 0.045 0.000 0.715 196 K HN 0.125 nan 8.250 nan 0.000 0.437 200 L N 1.257 122.400 121.223 -0.133 0.000 2.325 200 L HA 0.415 4.755 4.340 0.000 0.000 0.278 200 L C 1.205 178.047 176.870 -0.046 0.000 1.023 200 L CA -0.281 54.497 54.840 -0.105 0.000 0.811 200 L CB 1.433 43.437 42.059 -0.092 0.000 1.249 200 L HN 0.110 nan 8.230 nan 0.000 0.431 201 K N 0.562 120.945 120.400 -0.029 0.000 2.305 201 K HA 0.090 4.410 4.320 0.000 0.000 0.199 201 K C 0.255 176.857 176.600 0.004 0.000 1.047 201 K CA 0.544 56.824 56.287 -0.012 0.000 0.976 201 K CB 0.292 32.786 32.500 -0.009 0.000 0.765 201 K HN 0.730 nan 8.250 nan 0.000 0.474 202 S N -0.911 114.798 115.700 0.015 0.000 2.611 202 S HA 0.198 4.668 4.470 0.000 0.000 0.268 202 S C 0.402 175.032 174.600 0.049 0.000 1.156 202 S CA -1.126 57.092 58.200 0.029 0.000 0.817 202 S CB 1.420 64.636 63.200 0.027 0.000 1.122 202 S HN 0.224 nan 8.310 nan 0.000 0.466 203 R N 0.239 120.773 120.500 0.056 0.000 2.193 203 R HA 0.016 4.356 4.340 0.000 0.000 0.229 203 R C 1.163 177.517 176.300 0.090 0.000 1.110 203 R CA 1.528 57.675 56.100 0.078 0.000 0.988 203 R CB -1.074 29.267 30.300 0.068 0.000 0.871 203 R HN 0.418 nan 8.270 nan 0.000 0.458 204 V N 1.808 121.764 119.914 0.071 0.000 2.453 204 V HA -0.143 3.977 4.120 0.000 0.000 0.247 204 V C 2.222 178.373 176.094 0.095 0.000 1.048 204 V CA 1.772 64.116 62.300 0.073 0.000 1.049 204 V CB -0.408 31.444 31.823 0.048 0.000 0.672 204 V HN 0.343 nan 8.190 nan 0.000 0.457 205 E N 0.725 120.978 120.200 0.088 0.000 2.077 205 E HA -0.189 4.161 4.350 0.000 0.000 0.193 205 E C 2.394 179.108 176.600 0.189 0.000 0.989 205 E CA 1.310 57.773 56.400 0.106 0.000 0.800 205 E CB -0.318 29.414 29.700 0.054 0.000 0.746 205 E HN 0.582 nan 8.360 nan 0.000 0.452 206 A N 1.789 124.720 122.820 0.186 0.000 1.908 206 A HA -0.191 4.129 4.320 0.000 0.000 0.218 206 A C 2.425 180.199 177.584 0.315 0.000 1.181 206 A CA 2.004 54.221 52.037 0.299 0.000 0.627 206 A CB -0.652 18.485 19.000 0.228 0.000 0.818 206 A HN 0.301 nan 8.150 nan 0.000 0.445 207 A N -0.807 122.148 122.820 0.225 0.000 1.873 207 A HA 0.041 4.361 4.320 0.000 0.000 0.215 207 A C 2.256 180.009 177.584 0.281 0.000 1.186 207 A CA 1.730 53.907 52.037 0.234 0.000 0.616 207 A CB -0.938 18.167 19.000 0.175 0.000 0.823 207 A HN 0.388 nan 8.150 nan 0.000 0.442 208 V N -1.735 118.305 119.914 0.210 0.000 2.295 208 V HA -0.255 3.865 4.120 0.000 0.000 0.246 208 V C 2.223 178.443 176.094 0.210 0.000 1.049 208 V CA 1.963 64.371 62.300 0.181 0.000 1.024 208 V CB -1.003 30.897 31.823 0.128 0.000 0.648 208 V HN 0.888 nan 8.190 nan 0.000 0.447 209 W N 0.811 122.139 121.300 0.046 0.000 2.318 209 W HA -0.229 4.431 4.660 0.000 0.000 0.313 209 W C 2.251 178.751 176.519 -0.030 0.000 1.221 209 W CA 2.128 59.475 57.345 0.003 0.000 1.266 209 W CB -0.814 28.637 29.460 -0.015 0.000 1.150 209 W HN 0.070 nan 8.180 nan 0.000 0.496 210 V N 0.607 120.321 119.914 -0.334 0.000 2.392 210 V HA -0.352 3.768 4.120 0.000 0.000 0.249 210 V C 2.534 178.333 176.094 -0.492 0.000 1.059 210 V CA 2.343 64.249 62.300 -0.657 0.000 1.051 210 V CB -1.089 30.497 31.823 -0.394 0.000 0.658 210 V HN 0.297 nan 8.190 nan 0.000 0.455 211 H N -0.623 118.342 119.070 -0.175 0.000 2.436 211 H HA -0.032 4.524 4.556 0.000 0.000 0.294 211 H C 2.394 177.658 175.328 -0.107 0.000 1.048 211 H CA 1.405 57.390 56.048 -0.106 0.000 1.353 211 H CB 0.265 30.003 29.762 -0.040 0.000 1.414 211 H HN 0.555 nan 8.280 nan 0.000 0.536 212 Q N 0.593 120.391 119.800 -0.002 0.000 1.994 212 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 212 Q C 1.753 177.702 176.000 -0.084 0.000 0.976 212 Q CA 0.957 56.754 55.803 -0.011 0.000 0.828 212 Q CB 0.160 28.925 28.738 0.044 0.000 0.894 212 Q HN 0.187 nan 8.270 nan 0.000 0.432 213 E N 0.441 120.529 120.200 -0.185 0.000 2.511 213 E HA 0.011 4.361 4.350 0.000 0.000 0.196 213 E C -0.446 175.983 176.600 -0.286 0.000 1.066 213 E CA 0.064 56.336 56.400 -0.214 0.000 0.871 213 E CB -0.053 29.485 29.700 -0.271 0.000 0.863 213 E HN 0.146 nan 8.360 nan 0.000 0.520 214 R N -0.313 120.004 120.500 -0.306 0.000 3.405 214 R HA -0.237 4.103 4.340 0.000 0.000 0.258 214 R C 0.496 176.566 176.300 -0.384 0.000 1.030 214 R CA 0.236 56.162 56.100 -0.290 0.000 0.691 214 R CB -2.128 28.077 30.300 -0.158 0.000 1.093 214 R HN 0.182 nan 8.270 nan 0.000 0.448 215 I N -0.423 119.746 120.570 -0.668 0.000 2.300 215 I HA -0.256 3.915 4.170 0.000 0.000 0.252 215 I C 1.107 176.772 176.117 -0.753 0.000 1.119 215 I CA 1.920 62.690 61.300 -0.884 0.000 1.384 215 I CB -0.180 36.906 38.000 -1.522 0.000 1.062 215 I HN 0.123 nan 8.210 nan 0.000 0.426 216 F N 0.000 119.787 119.950 -0.271 0.000 2.286 216 F HA 0.000 4.527 4.527 0.000 0.000 0.279 216 F CA 0.000 57.883 58.000 -0.195 0.000 1.383 216 F CB 0.000 38.886 39.000 -0.190 0.000 1.145 216 F HN 0.000 nan 8.300 nan 0.000 0.574