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 1wp7_1_B DATA FIRST_RESID 143 DATA SEQUENCE NINKLKSSIE STNEAVVKLQ ETAEKTVYVL TALXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXDISSQISS MNQSLQQSKD YIKEAQRLLD TV 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 143 N HA 0.000 4.740 4.740 0.000 0.000 0.220 143 N C 0.000 175.510 175.510 -0.000 0.000 1.280 143 N CA 0.000 53.050 53.050 0.001 0.000 0.885 143 N CB 0.000 38.487 38.487 0.000 0.000 1.341 144 I N 2.539 123.108 120.570 -0.001 0.000 2.202 144 I HA -0.149 4.025 4.170 0.005 0.000 0.242 144 I C 1.716 177.832 176.117 -0.002 0.000 1.091 144 I CA 1.120 62.419 61.300 -0.001 0.000 1.368 144 I CB -0.209 37.790 38.000 -0.002 0.000 1.058 144 I HN 0.147 8.357 8.210 0.000 0.000 0.410 145 N N 1.210 119.909 118.700 -0.001 0.000 2.149 145 N HA -0.183 4.560 4.740 0.005 0.000 0.188 145 N C 1.703 177.213 175.510 -0.000 0.000 1.019 145 N CA 1.267 54.317 53.050 -0.001 0.000 0.857 145 N CB -0.214 38.273 38.487 -0.000 0.000 0.997 145 N HN 0.448 8.829 8.380 0.000 0.000 0.426 146 K N 1.143 121.543 120.400 0.001 0.000 1.973 146 K HA -0.005 4.318 4.320 0.005 0.000 0.212 146 K C 2.306 178.906 176.600 0.001 0.000 1.047 146 K CA 0.758 57.046 56.287 0.002 0.000 0.937 146 K CB -0.391 32.110 32.500 0.002 0.000 0.721 146 K HN 0.043 8.293 8.250 0.000 0.000 0.440 147 L N 1.556 122.779 121.223 -0.000 0.000 2.021 147 L HA -0.310 4.033 4.340 0.005 0.000 0.215 147 L C 2.716 179.584 176.870 -0.004 0.000 1.074 147 L CA 1.634 56.473 54.840 -0.002 0.000 0.760 147 L CB -0.557 41.501 42.059 -0.002 0.000 0.889 147 L HN 0.286 8.516 8.230 0.000 0.000 0.433 148 K N -0.310 120.087 120.400 -0.005 0.000 2.044 148 K HA -0.252 4.071 4.320 0.005 0.000 0.210 148 K C 2.363 178.957 176.600 -0.009 0.000 1.049 148 K CA 1.951 58.234 56.287 -0.008 0.000 0.927 148 K CB -0.187 32.309 32.500 -0.007 0.000 0.713 148 K HN 0.149 8.399 8.250 0.000 0.000 0.443 149 S N 0.149 115.846 115.700 -0.005 0.000 2.368 149 S HA -0.152 4.322 4.470 0.005 0.000 0.225 149 S C 1.994 176.592 174.600 -0.002 0.000 1.030 149 S CA 1.925 60.124 58.200 -0.002 0.000 0.999 149 S CB -0.443 62.758 63.200 0.003 0.000 0.844 149 S HN 0.623 8.933 8.310 0.000 0.000 0.459 150 S N 1.660 117.360 115.700 -0.000 0.000 2.355 150 S HA -0.008 4.465 4.470 0.005 0.000 0.222 150 S C 1.868 176.464 174.600 -0.007 0.000 1.031 150 S CA 1.313 59.514 58.200 0.002 0.000 0.993 150 S CB -0.962 62.240 63.200 0.004 0.000 0.859 150 S HN 0.618 8.928 8.310 0.000 0.000 0.453 151 I N 2.029 122.592 120.570 -0.012 0.000 2.361 151 I HA -0.165 4.009 4.170 0.005 0.000 0.251 151 I C 2.915 179.009 176.117 -0.037 0.000 1.133 151 I CA 1.696 62.984 61.300 -0.021 0.000 1.413 151 I CB -0.495 37.494 38.000 -0.018 0.000 1.073 151 I HN 0.425 8.635 8.210 0.000 0.000 0.424 152 E N 0.905 121.081 120.200 -0.039 0.000 2.085 152 E HA -0.204 4.149 4.350 0.005 0.000 0.194 152 E C 2.274 178.812 176.600 -0.103 0.000 0.994 152 E CA 1.575 57.938 56.400 -0.061 0.000 0.801 152 E CB 0.117 29.790 29.700 -0.044 0.000 0.743 152 E HN 0.341 8.701 8.360 0.000 0.000 0.453 153 S N -0.430 115.226 115.700 -0.074 0.000 2.402 153 S HA -0.109 4.365 4.470 0.005 0.000 0.229 153 S C 1.941 176.477 174.600 -0.106 0.000 1.021 153 S CA 1.316 59.462 58.200 -0.090 0.000 0.974 153 S CB -0.207 63.008 63.200 0.025 0.000 0.800 153 S HN 0.342 8.652 8.310 0.000 0.000 0.484 154 T N 3.028 117.547 114.554 -0.058 0.000 2.708 154 T HA -0.072 4.281 4.350 0.005 0.000 0.266 154 T C 1.721 176.375 174.700 -0.076 0.000 1.037 154 T CA 1.166 63.241 62.100 -0.042 0.000 1.146 154 T CB -0.405 68.449 68.868 -0.023 0.000 0.865 154 T HN 0.346 8.586 8.240 0.000 0.000 0.435 155 N N 1.174 119.815 118.700 -0.098 0.000 2.166 155 N HA -0.083 4.660 4.740 0.005 0.000 0.186 155 N C 1.900 177.308 175.510 -0.169 0.000 1.019 155 N CA 0.841 53.828 53.050 -0.105 0.000 0.856 155 N CB -0.286 38.147 38.487 -0.091 0.000 0.993 155 N HN 0.434 8.814 8.380 0.000 0.000 0.426 156 E N 1.221 121.233 120.200 -0.314 0.000 2.085 156 E HA -0.102 4.252 4.350 0.005 0.000 0.194 156 E C 1.937 178.311 176.600 -0.378 0.000 0.994 156 E CA 0.937 56.990 56.400 -0.578 0.000 0.801 156 E CB -0.315 28.546 29.700 -1.399 0.000 0.743 156 E HN 0.344 8.704 8.360 0.000 0.000 0.453 157 A N 1.051 123.747 122.820 -0.207 0.000 1.933 157 A HA -0.140 4.183 4.320 0.005 0.000 0.218 157 A C 2.612 180.208 177.584 0.021 0.000 1.175 157 A CA 1.452 53.513 52.037 0.041 0.000 0.628 157 A CB -0.604 18.442 19.000 0.077 0.000 0.814 157 A HN 0.137 8.287 8.150 0.000 0.000 0.444 158 V N -0.497 119.403 119.914 -0.024 0.000 2.427 158 V HA -0.197 3.926 4.120 0.005 0.000 0.248 158 V C 2.564 178.652 176.094 -0.010 0.000 1.051 158 V CA 1.748 64.040 62.300 -0.012 0.000 1.048 158 V CB -0.632 31.178 31.823 -0.022 0.000 0.666 158 V HN 0.375 8.565 8.190 0.000 0.000 0.456 159 V N -0.084 119.811 119.914 -0.031 0.000 2.255 159 V HA -0.262 3.861 4.120 0.005 0.000 0.247 159 V C 2.643 178.747 176.094 0.015 0.000 1.051 159 V CA 1.838 64.127 62.300 -0.018 0.000 1.018 159 V CB -0.730 31.068 31.823 -0.042 0.000 0.641 159 V HN 0.459 8.649 8.190 0.000 0.000 0.445 160 K N -0.140 120.287 120.400 0.045 0.000 2.103 160 K HA -0.089 4.235 4.320 0.005 0.000 0.207 160 K C 2.047 178.679 176.600 0.054 0.000 1.048 160 K CA 1.363 57.698 56.287 0.079 0.000 0.930 160 K CB -0.694 31.900 32.500 0.156 0.000 0.716 160 K HN 0.403 8.653 8.250 0.000 0.000 0.444 161 L N 0.917 122.166 121.223 0.043 0.000 2.109 161 L HA -0.167 4.176 4.340 0.005 0.000 0.207 161 L C 2.563 179.448 176.870 0.025 0.000 1.086 161 L CA 1.012 55.871 54.840 0.033 0.000 0.760 161 L CB -0.272 41.803 42.059 0.028 0.000 0.910 161 L HN 0.243 8.473 8.230 0.000 0.000 0.437 162 Q N -0.160 119.651 119.800 0.019 0.000 2.050 162 Q HA -0.248 4.095 4.340 0.005 0.000 0.202 162 Q C 2.055 178.065 176.000 0.018 0.000 0.980 162 Q CA 1.575 57.387 55.803 0.015 0.000 0.840 162 Q CB -0.116 28.626 28.738 0.007 0.000 0.898 162 Q HN 0.506 8.776 8.270 0.000 0.000 0.424 163 E N -0.129 120.083 120.200 0.020 0.000 2.118 163 E HA -0.163 4.190 4.350 0.005 0.000 0.195 163 E C 1.954 178.568 176.600 0.022 0.000 0.992 163 E CA 1.541 57.953 56.400 0.019 0.000 0.804 163 E CB 0.049 29.763 29.700 0.023 0.000 0.741 163 E HN 0.311 8.671 8.360 0.000 0.000 0.458 164 T N 0.450 115.020 114.554 0.027 0.000 2.821 164 T HA -0.093 4.260 4.350 0.005 0.000 0.267 164 T C 1.909 176.627 174.700 0.030 0.000 1.046 164 T CA 1.023 63.140 62.100 0.029 0.000 1.139 164 T CB -0.101 68.784 68.868 0.029 0.000 0.871 164 T HN 0.231 8.471 8.240 0.000 0.000 0.454 165 A N 1.686 124.523 122.820 0.028 0.000 1.930 165 A HA -0.086 4.237 4.320 0.005 0.000 0.217 165 A C 2.173 179.778 177.584 0.036 0.000 1.175 165 A CA 1.375 53.429 52.037 0.028 0.000 0.627 165 A CB -0.472 18.541 19.000 0.022 0.000 0.815 165 A HN 0.544 8.694 8.150 0.000 0.000 0.443 166 E N 0.106 120.326 120.200 0.033 0.000 2.070 166 E HA -0.219 4.134 4.350 0.005 0.000 0.197 166 E C 1.923 178.561 176.600 0.063 0.000 1.004 166 E CA 1.408 57.830 56.400 0.038 0.000 0.805 166 E CB -0.125 29.586 29.700 0.020 0.000 0.744 166 E HN 0.362 8.722 8.360 0.000 0.000 0.451 167 K N 0.258 120.692 120.400 0.057 0.000 2.057 167 K HA -0.076 4.247 4.320 0.005 0.000 0.207 167 K C 2.267 178.938 176.600 0.117 0.000 1.049 167 K CA 1.273 57.613 56.287 0.088 0.000 0.931 167 K CB -0.815 31.720 32.500 0.058 0.000 0.714 167 K HN 0.147 8.397 8.250 0.000 0.000 0.440 168 T N 1.757 116.355 114.554 0.075 0.000 2.720 168 T HA -0.100 4.254 4.350 0.005 0.000 0.268 168 T C 2.170 176.906 174.700 0.060 0.000 1.037 168 T CA 1.322 63.457 62.100 0.058 0.000 1.144 168 T CB -0.323 68.567 68.868 0.037 0.000 0.864 168 T HN -0.086 8.154 8.240 0.000 0.000 0.444 169 V N 0.453 120.409 119.914 0.072 0.000 2.287 169 V HA -0.199 3.924 4.120 0.005 0.000 0.248 169 V C 2.044 178.188 176.094 0.084 0.000 1.053 169 V CA 1.712 64.051 62.300 0.066 0.000 1.027 169 V CB -0.746 31.120 31.823 0.071 0.000 0.646 169 V HN 0.463 8.653 8.190 0.000 0.000 0.447 170 Y N 0.655 120.957 120.300 0.003 0.000 2.128 170 Y HA -0.247 4.305 4.550 0.003 0.000 0.284 170 Y C 2.423 178.324 175.900 0.003 0.000 1.154 170 Y CA 1.932 60.034 58.100 0.003 0.000 1.149 170 Y CB -0.443 38.019 38.460 0.003 0.000 0.976 170 Y HN 0.042 8.322 8.280 0.000 0.000 0.505 171 V N 0.274 120.187 119.914 -0.002 0.000 2.407 171 V HA -0.318 3.805 4.120 0.005 0.000 0.248 171 V C 2.462 178.498 176.094 -0.096 0.000 1.055 171 V CA 1.881 64.137 62.300 -0.072 0.000 1.049 171 V CB -0.724 31.108 31.823 0.014 0.000 0.662 171 V HN 0.432 8.622 8.190 0.000 0.000 0.455 172 L N -0.559 120.630 121.223 -0.057 0.000 2.017 172 L HA -0.178 4.166 4.340 0.005 0.000 0.208 172 L C 2.647 179.470 176.870 -0.078 0.000 1.073 172 L CA 1.980 56.790 54.840 -0.049 0.000 0.745 172 L CB -1.074 40.972 42.059 -0.022 0.000 0.894 172 L HN 0.339 8.569 8.230 0.000 0.000 0.432 173 T N 0.095 114.584 114.554 -0.107 0.000 2.652 173 T HA -0.252 4.101 4.350 0.005 0.000 0.267 173 T C 2.022 176.631 174.700 -0.151 0.000 1.039 173 T CA 1.573 63.600 62.100 -0.121 0.000 1.153 173 T CB -0.355 68.425 68.868 -0.146 0.000 0.863 173 T HN 0.467 8.707 8.240 0.000 0.000 0.428 174 A N 1.453 124.128 122.820 -0.242 0.000 1.884 174 A HA -0.022 4.301 4.320 0.005 0.000 0.219 174 A C 1.383 178.896 177.584 -0.118 0.000 1.197 174 A CA 1.198 53.107 52.037 -0.214 0.000 0.637 174 A CB -1.067 17.767 19.000 -0.278 0.000 0.827 174 A HN 0.476 8.626 8.150 0.000 0.000 0.450 456 I N 0.784 121.394 120.570 0.066 0.000 2.439 456 I HA -0.179 3.994 4.170 0.005 0.000 0.251 456 I C 2.645 178.795 176.117 0.055 0.000 1.139 456 I CA 1.290 62.626 61.300 0.060 0.000 1.438 456 I CB -0.344 37.667 38.000 0.018 0.000 1.085 456 I HN 0.395 8.605 8.210 0.000 0.000 0.427 457 S N 0.395 116.119 115.700 0.040 0.000 2.359 457 S HA -0.236 4.237 4.470 0.005 0.000 0.224 457 S C 2.375 176.996 174.600 0.035 0.000 1.035 457 S CA 2.202 60.421 58.200 0.031 0.000 1.018 457 S CB -0.534 62.680 63.200 0.023 0.000 0.876 457 S HN 0.609 8.919 8.310 0.000 0.000 0.448 458 S N 0.465 116.190 115.700 0.041 0.000 2.423 458 S HA -0.048 4.425 4.470 0.005 0.000 0.231 458 S C 1.874 176.498 174.600 0.039 0.000 1.014 458 S CA 0.690 58.910 58.200 0.034 0.000 0.965 458 S CB -0.492 62.727 63.200 0.031 0.000 0.785 458 S HN 0.520 8.830 8.310 0.000 0.000 0.495 459 Q N 0.942 120.782 119.800 0.068 0.000 2.137 459 Q HA 0.204 4.547 4.340 0.005 0.000 0.198 459 Q C 2.285 178.319 176.000 0.057 0.000 0.960 459 Q CA 0.645 56.495 55.803 0.080 0.000 0.847 459 Q CB -0.511 28.329 28.738 0.170 0.000 0.915 459 Q HN 0.491 8.761 8.270 0.000 0.000 0.448 460 I N 0.788 121.387 120.570 0.049 0.000 2.286 460 I HA -0.179 3.994 4.170 0.005 0.000 0.248 460 I C 1.983 178.115 176.117 0.025 0.000 1.115 460 I CA 1.047 62.367 61.300 0.034 0.000 1.392 460 I CB -0.998 37.018 38.000 0.026 0.000 1.065 460 I HN 0.060 8.270 8.210 0.000 0.000 0.418 461 S N 0.283 115.996 115.700 0.022 0.000 2.368 461 S HA -0.153 4.320 4.470 0.005 0.000 0.224 461 S C 2.227 176.834 174.600 0.012 0.000 1.029 461 S CA 1.567 59.775 58.200 0.014 0.000 0.988 461 S CB -0.232 62.975 63.200 0.011 0.000 0.838 461 S HN 0.439 8.748 8.310 0.000 0.000 0.462 462 S N 1.425 117.133 115.700 0.014 0.000 2.353 462 S HA -0.126 4.347 4.470 0.005 0.000 0.222 462 S C 1.962 176.571 174.600 0.015 0.000 1.035 462 S CA 1.429 59.635 58.200 0.010 0.000 1.025 462 S CB -0.425 62.779 63.200 0.007 0.000 0.902 462 S HN 0.417 8.727 8.310 0.000 0.000 0.440 463 M N 0.771 120.384 119.600 0.022 0.000 2.106 463 M HA -0.181 4.302 4.480 0.005 0.000 0.259 463 M C 2.107 178.418 176.300 0.019 0.000 1.068 463 M CA 1.974 57.289 55.300 0.024 0.000 1.100 463 M CB -0.570 32.048 32.600 0.029 0.000 1.351 463 M HN 0.353 8.643 8.290 0.000 0.000 0.404 464 N N -0.642 118.067 118.700 0.015 0.000 2.188 464 N HA -0.147 4.596 4.740 0.005 0.000 0.184 464 N C 1.739 177.252 175.510 0.005 0.000 1.018 464 N CA 0.958 54.014 53.050 0.010 0.000 0.858 464 N CB 0.042 38.533 38.487 0.007 0.000 0.989 464 N HN 0.214 8.594 8.380 0.000 0.000 0.426 465 Q N -0.118 119.685 119.800 0.004 0.000 2.083 465 Q HA 0.100 4.443 4.340 0.005 0.000 0.198 465 Q C 1.906 177.906 176.000 0.000 0.000 0.969 465 Q CA 0.836 56.637 55.803 -0.003 0.000 0.838 465 Q CB -0.224 28.511 28.738 -0.005 0.000 0.900 465 Q HN 0.299 8.569 8.270 0.000 0.000 0.436 466 S N 1.104 116.812 115.700 0.012 0.000 2.382 466 S HA -0.134 4.339 4.470 0.005 0.000 0.228 466 S C 1.759 176.379 174.600 0.033 0.000 1.027 466 S CA 0.777 58.993 58.200 0.027 0.000 0.991 466 S CB -0.174 63.044 63.200 0.030 0.000 0.823 466 S HN 0.242 8.552 8.310 0.000 0.000 0.469 467 L N 1.523 122.760 121.223 0.023 0.000 2.291 467 L HA 0.063 4.406 4.340 0.005 0.000 0.214 467 L C 2.140 179.018 176.870 0.014 0.000 1.120 467 L CA 1.431 56.286 54.840 0.024 0.000 0.799 467 L CB -0.622 41.448 42.059 0.019 0.000 0.925 467 L HN 0.100 8.330 8.230 0.000 0.000 0.446 468 Q N -0.314 119.485 119.800 -0.002 0.000 2.016 468 Q HA -0.196 4.147 4.340 0.005 0.000 0.200 468 Q C 2.158 178.127 176.000 -0.052 0.000 0.978 468 Q CA 1.932 57.721 55.803 -0.023 0.000 0.833 468 Q CB -0.371 28.349 28.738 -0.031 0.000 0.895 468 Q HN 0.650 8.920 8.270 0.000 0.000 0.427 469 Q N 0.023 119.781 119.800 -0.070 0.000 2.096 469 Q HA -0.138 4.205 4.340 0.005 0.000 0.204 469 Q C 2.203 178.149 176.000 -0.090 0.000 0.982 469 Q CA 1.600 57.294 55.803 -0.182 0.000 0.850 469 Q CB -0.309 28.347 28.738 -0.136 0.000 0.901 469 Q HN 0.225 8.495 8.270 0.000 0.000 0.422 470 S N 0.835 116.588 115.700 0.088 0.000 2.359 470 S HA -0.211 4.263 4.470 0.005 0.000 0.224 470 S C 1.777 176.451 174.600 0.123 0.000 1.035 470 S CA 1.483 59.793 58.200 0.182 0.000 1.018 470 S CB -0.021 63.246 63.200 0.112 0.000 0.876 470 S HN 0.265 8.575 8.310 0.000 0.000 0.448 471 K N 0.488 120.917 120.400 0.048 0.000 2.097 471 K HA -0.084 4.239 4.320 0.005 0.000 0.206 471 K C 1.812 178.423 176.600 0.017 0.000 1.049 471 K CA 1.530 57.835 56.287 0.030 0.000 0.933 471 K CB -0.256 32.249 32.500 0.009 0.000 0.717 471 K HN 0.476 8.726 8.250 0.000 0.000 0.442 472 D N 0.271 120.649 120.400 -0.036 0.000 2.117 472 D HA -0.141 4.503 4.640 0.005 0.000 0.198 472 D C 1.905 178.203 176.300 -0.003 0.000 0.982 472 D CA 1.200 55.158 54.000 -0.070 0.000 0.828 472 D CB -0.411 40.280 40.800 -0.181 0.000 0.967 472 D HN 0.299 8.669 8.370 0.000 0.000 0.464 473 Y N 0.485 120.785 120.300 0.000 0.000 2.165 473 Y HA -0.193 4.358 4.550 0.003 0.000 0.286 473 Y C 2.476 178.376 175.900 0.000 0.000 1.155 473 Y CA 0.236 58.336 58.100 0.000 0.000 1.164 473 Y CB -0.037 38.423 38.460 0.000 0.000 0.978 473 Y HN -0.081 8.199 8.280 0.000 0.000 0.513 474 I N 0.305 120.978 120.570 0.172 0.000 2.546 474 I HA -0.204 3.969 4.170 0.005 0.000 0.255 474 I C 1.897 178.053 176.117 0.065 0.000 1.163 474 I CA 1.434 62.789 61.300 0.092 0.000 1.457 474 I CB -0.224 37.815 38.000 0.065 0.000 1.092 474 I HN -0.002 8.208 8.210 0.000 0.000 0.434 475 K N -0.019 120.415 120.400 0.058 0.000 2.097 475 K HA -0.196 4.127 4.320 0.005 0.000 0.205 475 K C 1.993 178.617 176.600 0.039 0.000 1.050 475 K CA 1.368 57.676 56.287 0.036 0.000 0.938 475 K CB -0.076 32.436 32.500 0.020 0.000 0.718 475 K HN 0.206 8.456 8.250 0.000 0.000 0.442 476 E N 0.991 121.227 120.200 0.059 0.000 2.152 476 E HA -0.080 4.273 4.350 0.005 0.000 0.192 476 E C 1.674 178.305 176.600 0.053 0.000 0.983 476 E CA 1.142 57.577 56.400 0.059 0.000 0.818 476 E CB -0.037 29.718 29.700 0.090 0.000 0.758 476 E HN 0.271 8.631 8.360 0.000 0.000 0.467 477 A N 0.431 123.285 122.820 0.058 0.000 1.877 477 A HA -0.245 4.078 4.320 0.005 0.000 0.216 477 A C 2.127 179.726 177.584 0.025 0.000 1.186 477 A CA 1.770 53.830 52.037 0.037 0.000 0.620 477 A CB -0.596 18.423 19.000 0.032 0.000 0.822 477 A HN 0.354 8.504 8.150 0.000 0.000 0.443 478 Q N -1.061 118.755 119.800 0.026 0.000 2.050 478 Q HA -0.161 4.182 4.340 0.005 0.000 0.202 478 Q C 2.420 178.429 176.000 0.016 0.000 0.980 478 Q CA 1.252 57.066 55.803 0.018 0.000 0.840 478 Q CB -0.275 28.473 28.738 0.018 0.000 0.898 478 Q HN 0.488 8.758 8.270 0.000 0.000 0.424 479 R N 1.149 121.660 120.500 0.018 0.000 2.096 479 R HA -0.153 4.190 4.340 0.005 0.000 0.240 479 R C 2.115 178.423 176.300 0.014 0.000 1.139 479 R CA 1.468 57.577 56.100 0.015 0.000 0.952 479 R CB -0.624 29.686 30.300 0.017 0.000 0.854 479 R HN 0.318 8.588 8.270 0.000 0.000 0.436 480 L N 0.470 121.703 121.223 0.017 0.000 2.056 480 L HA -0.199 4.144 4.340 0.005 0.000 0.207 480 L C 2.542 179.418 176.870 0.010 0.000 1.078 480 L CA 0.588 55.436 54.840 0.014 0.000 0.749 480 L CB -0.416 41.653 42.059 0.016 0.000 0.901 480 L HN 0.170 8.400 8.230 0.000 0.000 0.433 481 L N -0.131 121.098 121.223 0.010 0.000 2.079 481 L HA -0.270 4.073 4.340 0.005 0.000 0.210 481 L C 2.001 178.875 176.870 0.007 0.000 1.081 481 L CA 1.848 56.693 54.840 0.008 0.000 0.752 481 L CB -0.706 41.357 42.059 0.008 0.000 0.896 481 L HN 0.271 8.501 8.230 0.000 0.000 0.433 482 D N -1.476 118.929 120.400 0.007 0.000 2.351 482 D HA -0.137 4.506 4.640 0.005 0.000 0.216 482 D C 1.712 178.015 176.300 0.006 0.000 0.968 482 D CA 1.353 55.357 54.000 0.006 0.000 0.899 482 D CB 0.171 40.975 40.800 0.007 0.000 0.907 482 D HN 0.411 8.781 8.370 0.000 0.000 0.514 483 T N 0.384 114.942 114.554 0.006 0.000 3.067 483 T HA 0.021 4.374 4.350 0.005 0.000 0.261 483 T C 1.249 175.952 174.700 0.004 0.000 1.110 483 T CA 0.047 62.151 62.100 0.005 0.000 1.113 483 T CB 0.569 69.441 68.868 0.006 0.000 0.917 483 T HN -0.099 8.141 8.240 0.000 0.000 0.499 484 V N 0.000 119.916 119.914 0.004 0.000 2.409 484 V HA 0.000 4.123 4.120 0.005 0.000 0.244 484 V CA 0.000 62.302 62.300 0.003 0.000 1.235 484 V CB 0.000 31.825 31.823 0.003 0.000 1.184 484 V HN 0.000 8.190 8.190 0.000 0.000 0.556