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 2kkf_1_A DATA FIRST_RESID 1147 DATA SEQUENCE KKGRRSRRCG QCPGCQVPED CGVCTNCLDK PKFGGRNIKK QCCKMRKCQN DATA SEQUENCE LQWMPSK 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 1147 K HA 0.000 4.316 4.320 -0.006 0.000 0.191 1147 K C 0.000 176.599 176.600 -0.002 0.000 0.988 1147 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 1147 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 1148 K N 0.239 120.634 120.400 -0.008 0.000 2.483 1148 K HA 0.147 4.468 4.320 0.001 0.000 0.206 1148 K C -1.067 175.532 176.600 -0.002 0.000 1.086 1148 K CA -0.048 56.237 56.287 -0.004 0.000 1.052 1148 K CB 1.439 33.934 32.500 -0.008 0.000 0.904 1148 K HN 0.158 8.399 8.250 -0.016 0.000 0.557 1149 G N -0.071 108.728 108.800 -0.002 0.000 2.575 1149 G HA2 0.255 4.225 3.960 0.016 0.000 0.279 1149 G HA3 0.255 4.208 3.960 -0.010 0.000 0.279 1149 G C -0.854 174.064 174.900 0.030 0.000 1.460 1149 G CA 0.286 45.389 45.100 0.006 0.000 1.214 1149 G HN -0.305 7.982 8.290 -0.005 0.000 0.582 1150 R N 4.377 124.914 120.500 0.062 0.000 2.036 1150 R HA 0.015 4.428 4.340 0.121 0.000 0.216 1150 R C -0.583 175.829 176.300 0.186 0.000 1.241 1150 R CA 0.100 56.267 56.100 0.110 0.000 0.964 1150 R CB 0.386 30.736 30.300 0.083 0.000 0.828 1150 R HN 0.255 8.556 8.270 0.051 0.000 0.468 1151 R N -0.815 119.769 120.500 0.140 0.000 2.375 1151 R HA -0.326 4.074 4.340 0.100 0.000 0.294 1151 R C -1.838 174.601 176.300 0.230 0.000 1.050 1151 R CA 0.723 56.915 56.100 0.152 0.000 0.957 1151 R CB -2.677 27.705 30.300 0.136 0.000 2.594 1151 R HN 0.101 8.429 8.270 0.097 0.000 0.518 1152 S N 0.719 116.477 115.700 0.098 0.000 2.537 1152 S HA 0.596 5.173 4.470 -0.102 -0.168 0.270 1152 S C -0.979 173.571 174.600 -0.083 0.000 1.142 1152 S CA -0.921 57.249 58.200 -0.050 0.000 0.870 1152 S CB 3.381 66.515 63.200 -0.110 0.000 1.112 1152 S HN 0.023 8.373 8.310 0.067 0.000 0.466 1153 R N 2.344 122.756 120.500 -0.148 0.000 2.686 1153 R HA 0.378 4.675 4.340 -0.071 0.000 0.286 1153 R C -1.718 174.501 176.300 -0.135 0.000 0.969 1153 R CA -1.977 54.060 56.100 -0.105 0.000 0.898 1153 R CB 3.421 33.678 30.300 -0.072 0.000 1.183 1153 R HN 1.171 9.179 8.270 -0.235 0.121 0.456 1154 R N 3.671 124.115 120.500 -0.094 0.000 2.489 1154 R HA -0.076 4.198 4.340 -0.110 0.000 0.287 1154 R C 0.525 176.774 176.300 -0.086 0.000 1.053 1154 R CA -0.808 55.238 56.100 -0.090 0.000 1.036 1154 R CB -1.089 29.176 30.300 -0.059 0.000 0.966 1154 R HN 0.371 8.599 8.270 -0.070 0.000 0.432 1155 C N -1.350 117.893 119.300 -0.094 0.000 2.432 1155 C HA -0.096 4.535 4.460 -0.084 -0.221 0.277 1155 C C 1.386 176.344 174.990 -0.053 0.000 1.249 1155 C CA 0.156 59.126 59.018 -0.079 0.000 1.725 1155 C CB -0.144 27.547 27.740 -0.081 0.000 2.028 1155 C HN 0.178 8.345 8.230 -0.105 0.000 0.477 1156 G N 0.772 109.544 108.800 -0.046 0.000 2.194 1156 G HA2 -0.255 3.687 3.960 -0.030 0.000 0.236 1156 G HA3 -0.255 3.687 3.960 -0.030 0.000 0.236 1156 G C -0.534 174.349 174.900 -0.028 0.000 0.987 1156 G CA 0.539 45.619 45.100 -0.033 0.000 0.635 1156 G HN -0.211 8.049 8.290 -0.051 0.000 0.520 1157 Q N -1.896 117.885 119.800 -0.031 0.000 2.280 1157 Q HA 0.272 4.600 4.340 -0.021 0.000 0.244 1157 Q C 0.419 176.404 176.000 -0.025 0.000 0.847 1157 Q CA -0.444 55.344 55.803 -0.025 0.000 0.945 1157 Q CB 2.147 30.871 28.738 -0.023 0.000 1.115 1157 Q HN -0.484 7.701 8.270 -0.038 0.063 0.513 1158 C N 0.891 120.173 119.300 -0.031 0.000 2.657 1158 C HA 0.178 4.623 4.460 -0.026 0.000 0.404 1158 C C -1.038 173.937 174.990 -0.025 0.000 1.291 1158 C CA -2.323 56.677 59.018 -0.030 0.000 2.218 1158 C CB -0.724 26.992 27.740 -0.039 0.000 2.687 1158 C HN -0.689 7.519 8.230 -0.038 0.000 0.634 1159 P HA -0.226 4.185 4.420 -0.015 0.000 0.218 1159 P C 1.203 178.492 177.300 -0.018 0.000 1.148 1159 P CA 2.081 65.170 63.100 -0.017 0.000 0.822 1159 P CB 0.167 31.858 31.700 -0.015 0.000 0.784 1160 G N -3.146 105.640 108.800 -0.022 0.000 2.403 1160 G HA2 -0.199 3.934 3.960 -0.021 0.000 0.216 1160 G HA3 -0.199 3.939 3.960 -0.027 -0.194 0.216 1160 G C 1.276 176.162 174.900 -0.023 0.000 1.154 1160 G CA 1.358 46.444 45.100 -0.023 0.000 0.784 1160 G HN 0.129 8.376 8.290 -0.025 0.028 0.538 1161 C N 0.244 119.528 119.300 -0.026 0.000 2.448 1161 C HA -0.027 4.418 4.460 -0.025 0.000 0.280 1161 C C 1.019 175.998 174.990 -0.018 0.000 1.398 1161 C CA 1.468 60.471 59.018 -0.025 0.000 1.774 1161 C CB -1.895 25.826 27.740 -0.031 0.000 1.888 1161 C HN -0.598 7.517 8.230 -0.029 0.098 0.519 1162 Q N -2.845 116.945 119.800 -0.016 0.000 2.378 1162 Q HA -0.042 4.291 4.340 -0.011 0.000 0.205 1162 Q C 0.409 176.405 176.000 -0.008 0.000 0.954 1162 Q CA -0.398 55.398 55.803 -0.011 0.000 0.901 1162 Q CB -0.037 28.695 28.738 -0.011 0.000 0.981 1162 Q HN -0.414 7.686 8.270 -0.018 0.159 0.483 1163 V N 2.576 122.485 119.914 -0.008 0.000 2.415 1163 V HA -0.037 4.082 4.120 -0.003 0.000 0.267 1163 V C -0.969 175.126 176.094 0.000 0.000 1.042 1163 V CA -1.273 61.024 62.300 -0.004 0.000 1.000 1163 V CB 0.257 32.075 31.823 -0.007 0.000 1.015 1163 V HN -0.760 7.273 8.190 -0.012 0.150 0.478 1164 P HA 0.036 4.459 4.420 0.006 0.000 0.240 1164 P C -1.079 176.233 177.300 0.019 0.000 1.190 1164 P CA 0.688 63.793 63.100 0.009 0.000 0.781 1164 P CB 0.642 32.346 31.700 0.007 0.000 0.931 1165 E N -2.575 117.639 120.200 0.025 0.000 2.366 1165 E HA 0.103 4.484 4.350 0.051 0.000 0.278 1165 E C -1.923 174.708 176.600 0.052 0.000 0.923 1165 E CA -1.645 54.782 56.400 0.046 0.000 0.761 1165 E CB 1.976 31.706 29.700 0.051 0.000 1.231 1165 E HN -0.573 7.757 8.360 0.018 0.041 0.443 1166 D N 0.997 121.451 120.400 0.090 0.000 2.493 1166 D HA -0.067 4.574 4.640 0.002 0.000 0.240 1166 D C 1.184 177.508 176.300 0.040 0.000 1.142 1166 D CA 1.347 55.384 54.000 0.063 0.000 0.872 1166 D CB 0.581 41.477 40.800 0.160 0.000 1.173 1166 D HN -0.003 8.440 8.370 0.122 0.000 0.467 1167 C N 0.004 119.277 119.300 -0.046 0.000 2.413 1167 C HA -0.199 4.260 4.460 -0.001 0.000 0.277 1167 C C 1.748 176.709 174.990 -0.049 0.000 1.265 1167 C CA 0.069 59.062 59.018 -0.041 0.000 1.752 1167 C CB -0.155 27.547 27.740 -0.063 0.000 1.998 1167 C HN 0.144 8.330 8.230 -0.073 0.000 0.489 1168 G N 0.661 109.319 108.800 -0.237 0.000 2.176 1168 G HA2 -0.304 2.925 3.960 -1.218 0.000 0.253 1168 G HA3 -0.304 3.737 3.960 0.135 0.000 0.253 1168 G C -0.510 174.252 174.900 -0.230 0.000 0.979 1168 G CA 0.988 45.898 45.100 -0.316 0.000 0.641 1168 G HN -0.057 7.999 8.290 -0.364 0.015 0.530 1169 V N -5.601 114.207 119.914 -0.178 0.000 3.612 1169 V HA 0.357 4.429 4.120 -0.080 0.000 0.268 1169 V C 0.048 176.070 176.094 -0.121 0.000 1.365 1169 V CA -0.782 61.454 62.300 -0.106 0.000 1.044 1169 V CB 1.097 32.889 31.823 -0.051 0.000 0.820 1169 V HN -0.806 7.211 8.190 -0.173 0.068 0.444 1170 C N 0.044 119.249 119.300 -0.157 0.000 2.657 1170 C HA 0.193 4.600 4.460 -0.088 0.000 0.404 1170 C C 1.674 176.582 174.990 -0.136 0.000 1.291 1170 C CA -1.292 57.651 59.018 -0.125 0.000 2.218 1170 C CB 0.672 28.342 27.740 -0.116 0.000 2.687 1170 C HN -0.540 7.574 8.230 -0.193 0.000 0.634 1171 T N 2.302 116.804 114.554 -0.087 0.000 2.849 1171 T HA -0.372 3.941 4.350 -0.063 0.000 0.270 1171 T C 1.455 176.110 174.700 -0.076 0.000 1.066 1171 T CA 3.841 65.901 62.100 -0.068 0.000 1.130 1171 T CB -0.040 68.803 68.868 -0.041 0.000 0.864 1171 T HN 0.415 8.613 8.240 -0.070 0.000 0.481 1172 N N -0.036 118.609 118.700 -0.091 0.000 2.171 1172 N HA -0.127 4.584 4.740 -0.049 0.000 0.184 1172 N C 1.747 177.183 175.510 -0.124 0.000 1.021 1172 N CA 2.780 55.782 53.050 -0.080 0.000 0.854 1172 N CB -0.487 37.959 38.487 -0.067 0.000 0.994 1172 N HN -0.250 8.042 8.380 -0.095 0.031 0.426 1173 C N -0.034 119.109 119.300 -0.261 0.000 2.453 1173 C HA -0.244 3.976 4.460 -0.399 0.000 0.277 1173 C C 2.747 177.462 174.990 -0.459 0.000 1.262 1173 C CA 3.584 62.261 59.018 -0.569 0.000 1.718 1173 C CB -1.129 25.997 27.740 -1.023 0.000 2.031 1173 C HN -0.596 7.484 8.230 -0.251 0.000 0.480 1174 L N -0.712 120.341 121.223 -0.283 0.000 2.131 1174 L HA -0.411 3.960 4.340 0.051 0.000 0.210 1174 L C 1.804 178.698 176.870 0.040 0.000 1.092 1174 L CA 2.872 57.682 54.840 -0.050 0.000 0.759 1174 L CB -0.777 41.255 42.059 -0.044 0.000 0.903 1174 L HN 0.285 8.346 8.230 -0.282 0.000 0.435 1175 D N -1.826 118.576 120.400 0.004 0.000 2.219 1175 D HA -0.245 4.414 4.640 0.032 0.000 0.205 1175 D C 0.073 176.415 176.300 0.070 0.000 0.970 1175 D CA 2.090 56.108 54.000 0.030 0.000 0.851 1175 D CB 0.076 40.881 40.800 0.008 0.000 0.943 1175 D HN -0.299 7.927 8.370 -0.045 0.117 0.488 1176 K N -0.377 120.092 120.400 0.116 0.000 2.355 1176 K HA 0.231 4.830 4.320 0.106 -0.216 0.270 1176 K C -0.087 176.616 176.600 0.172 0.000 1.003 1176 K CA -1.573 54.813 56.287 0.166 0.000 0.957 1176 K CB -0.318 32.343 32.500 0.269 0.000 0.939 1176 K HN -0.651 7.519 8.250 0.093 0.136 0.482 1177 P HA -0.078 4.602 4.420 0.052 -0.228 0.216 1177 P C 1.661 178.973 177.300 0.019 0.000 1.150 1177 P CA 2.111 65.242 63.100 0.053 0.000 0.837 1177 P CB 0.256 31.971 31.700 0.025 0.000 0.786 1178 K N -2.266 118.121 120.400 -0.022 0.000 2.281 1178 K HA -0.200 4.009 4.320 -0.185 0.000 0.203 1178 K C 0.865 177.215 176.600 -0.418 0.000 1.046 1178 K CA 2.541 58.690 56.287 -0.230 0.000 0.938 1178 K CB -0.794 31.505 32.500 -0.334 0.000 0.737 1178 K HN 0.293 8.547 8.250 0.031 0.014 0.458 1179 F N -3.287 116.663 119.950 -0.000 0.000 2.654 1179 F HA 0.153 4.679 4.527 -0.000 0.000 0.303 1179 F C 0.306 176.107 175.800 0.000 0.000 1.099 1179 F CA -0.625 57.375 58.000 -0.000 0.000 1.270 1179 F CB 0.395 39.395 39.000 -0.000 0.000 1.024 1179 F HN -0.618 7.644 8.300 0.214 0.167 0.548 1180 G N -1.409 107.453 108.800 0.104 0.000 2.175 1180 G HA2 -0.309 3.673 3.960 0.037 0.000 0.244 1180 G HA3 -0.309 3.693 3.960 0.071 0.000 0.244 1180 G C 0.173 175.114 174.900 0.069 0.000 0.982 1180 G CA -0.256 44.886 45.100 0.069 0.000 0.641 1180 G HN -0.109 8.030 8.290 0.059 0.186 0.527 1181 G N -0.561 108.295 108.800 0.094 0.000 2.621 1181 G HA2 -0.045 3.947 3.960 0.054 0.000 0.271 1181 G HA3 -0.045 4.138 3.960 0.076 -0.178 0.271 1181 G C -1.129 173.800 174.900 0.049 0.000 1.236 1181 G CA -1.250 43.891 45.100 0.068 0.000 0.958 1181 G HN -0.404 7.909 8.290 0.140 0.060 0.512 1182 R N -0.687 119.835 120.500 0.037 0.000 2.308 1182 R HA 0.036 4.392 4.340 0.026 0.000 0.202 1182 R C -0.158 176.159 176.300 0.028 0.000 0.898 1182 R CA -0.044 56.072 56.100 0.028 0.000 1.046 1182 R CB 0.809 31.122 30.300 0.021 0.000 1.026 1182 R HN 0.129 8.419 8.270 0.035 0.000 0.512 1183 N N -2.924 115.796 118.700 0.033 0.000 2.929 1183 N HA -0.329 4.722 4.740 0.036 -0.289 0.249 1183 N C -1.167 174.356 175.510 0.022 0.000 1.095 1183 N CA 0.633 53.701 53.050 0.031 0.000 0.670 1183 N CB -1.252 37.254 38.487 0.031 0.000 0.968 1183 N HN 0.018 8.421 8.380 0.037 0.000 0.564 1184 I N -1.958 118.623 120.570 0.019 0.000 3.339 1184 I HA -0.078 4.101 4.170 0.014 0.000 0.285 1184 I C -0.425 175.699 176.117 0.012 0.000 1.201 1184 I CA 1.104 62.413 61.300 0.014 0.000 1.434 1184 I CB 0.718 38.725 38.000 0.012 0.000 1.152 1184 I HN -0.070 8.251 8.210 0.021 -0.098 0.443 1185 K N -1.738 118.669 120.400 0.011 0.000 2.067 1185 K HA -0.176 4.149 4.320 0.007 0.000 0.203 1185 K C -0.213 176.393 176.600 0.011 0.000 1.048 1185 K CA 0.939 57.231 56.287 0.008 0.000 0.954 1185 K CB 0.591 33.092 32.500 0.001 0.000 0.737 1185 K HN -0.365 8.181 8.250 0.013 -0.288 0.444 1186 K N -4.259 116.150 120.400 0.015 0.000 3.393 1186 K HA -0.412 3.922 4.320 0.024 0.000 0.272 1186 K C -1.304 175.305 176.600 0.015 0.000 1.004 1186 K CA 0.773 57.071 56.287 0.019 0.000 0.764 1186 K CB -2.492 30.019 32.500 0.019 0.000 1.373 1186 K HN -0.258 8.417 8.250 0.017 -0.415 0.458 1187 Q N -2.098 117.708 119.800 0.010 0.000 2.544 1187 Q HA 0.252 4.597 4.340 0.009 0.000 0.291 1187 Q C -1.578 174.422 176.000 0.000 0.000 1.068 1187 Q CA -1.794 54.012 55.803 0.005 0.000 0.785 1187 Q CB 4.183 32.921 28.738 -0.000 0.000 1.481 1187 Q HN -0.364 7.911 8.270 0.009 0.000 0.430 1188 C N 0.412 119.709 119.300 -0.004 0.000 2.604 1188 C HA -0.003 4.458 4.460 0.000 0.000 0.396 1188 C C -0.176 174.799 174.990 -0.026 0.000 1.282 1188 C CA 0.103 59.115 59.018 -0.009 0.000 2.292 1188 C CB 1.944 29.679 27.740 -0.009 0.000 2.633 1188 C HN 0.161 8.389 8.230 -0.003 0.000 0.620 1189 C N 4.333 123.613 119.300 -0.033 0.000 2.502 1189 C HA -0.235 4.169 4.460 -0.093 0.000 0.404 1189 C C 1.752 176.712 174.990 -0.051 0.000 1.409 1189 C CA 1.247 60.228 59.018 -0.062 0.000 1.648 1189 C CB 0.172 27.877 27.740 -0.058 0.000 2.571 1189 C HN 0.570 8.789 8.230 -0.018 0.000 0.601 1190 K N 8.347 128.711 120.400 -0.061 0.000 2.152 1190 K HA -0.226 4.072 4.320 -0.037 0.000 0.206 1190 K C 1.438 178.015 176.600 -0.038 0.000 1.048 1190 K CA 2.582 58.842 56.287 -0.046 0.000 0.933 1190 K CB -0.065 32.406 32.500 -0.049 0.000 0.721 1190 K HN 0.287 8.488 8.250 -0.081 0.000 0.447 1191 M N -3.916 115.660 119.600 -0.041 0.000 2.506 1191 M HA -0.093 4.370 4.480 -0.028 0.000 0.260 1191 M C 0.207 176.492 176.300 -0.025 0.000 1.104 1191 M CA 2.056 57.337 55.300 -0.031 0.000 1.112 1191 M CB 0.647 33.229 32.600 -0.031 0.000 1.401 1191 M HN -0.717 7.514 8.290 -0.053 0.027 0.473 1192 R N -3.349 117.135 120.500 -0.026 0.000 2.397 1192 R HA 0.311 4.885 4.340 -0.019 -0.246 0.241 1192 R C 0.080 176.365 176.300 -0.025 0.000 0.914 1192 R CA -0.742 55.346 56.100 -0.021 0.000 1.071 1192 R CB 0.732 31.023 30.300 -0.014 0.000 1.116 1192 R HN -0.530 7.532 8.270 -0.032 0.189 0.524 1193 K N 1.465 121.848 120.400 -0.027 0.000 2.436 1193 K HA -0.141 4.162 4.320 -0.028 0.000 0.282 1193 K C -0.067 176.512 176.600 -0.034 0.000 1.044 1193 K CA -0.359 55.911 56.287 -0.028 0.000 1.028 1193 K CB 0.086 32.571 32.500 -0.024 0.000 0.919 1193 K HN -0.532 7.702 8.250 -0.027 0.000 0.474 1194 C N 8.088 127.361 119.300 -0.045 0.000 2.633 1194 C HA -0.006 4.423 4.460 -0.052 0.000 0.415 1194 C C 1.194 176.147 174.990 -0.061 0.000 1.393 1194 C CA -0.158 58.825 59.018 -0.060 0.000 1.700 1194 C CB -0.739 26.951 27.740 -0.084 0.000 2.541 1194 C HN 0.579 8.781 8.230 -0.046 0.000 0.603 1195 Q N 7.993 127.761 119.800 -0.054 0.000 2.392 1195 Q HA -0.028 4.289 4.340 -0.038 0.000 0.203 1195 Q C -0.070 175.895 176.000 -0.059 0.000 0.917 1195 Q CA 0.839 56.615 55.803 -0.045 0.000 0.939 1195 Q CB 0.658 29.378 28.738 -0.031 0.000 1.063 1195 Q HN 0.219 8.459 8.270 -0.050 0.000 0.516 1196 N N -0.146 118.501 118.700 -0.089 0.000 2.664 1196 N HA 0.123 4.799 4.740 -0.107 0.000 0.287 1196 N C -1.524 173.869 175.510 -0.195 0.000 1.869 1196 N CA -0.194 52.787 53.050 -0.115 0.000 0.832 1196 N CB 1.604 40.044 38.487 -0.079 0.000 1.293 1196 N HN -0.732 7.536 8.380 -0.092 0.057 0.498 1197 L N 0.451 121.508 121.223 -0.277 0.000 2.483 1197 L HA -0.147 4.129 4.340 -0.306 -0.120 0.276 1197 L C 0.179 176.637 176.870 -0.688 0.000 1.213 1197 L CA 0.453 55.039 54.840 -0.422 0.000 0.843 1197 L CB 0.748 42.539 42.059 -0.446 0.000 1.107 1197 L HN 0.010 8.102 8.230 -0.231 0.000 0.487 1198 Q N 0.457 119.906 119.800 -0.585 0.000 2.337 1198 Q HA 0.281 4.235 4.340 -0.644 0.000 0.266 1198 Q C -1.402 174.308 176.000 -0.483 0.000 1.023 1198 Q CA -2.052 53.439 55.803 -0.521 0.000 0.829 1198 Q CB 2.383 30.997 28.738 -0.205 0.000 1.306 1198 Q HN 0.348 8.364 8.270 -0.423 0.000 0.449 1199 W N 3.615 124.916 121.300 0.001 0.000 2.367 1199 W HA 0.186 4.988 4.660 0.001 -0.141 0.329 1199 W C -0.405 176.115 176.519 0.001 0.000 1.066 1199 W CA -0.673 56.672 57.345 0.001 0.000 1.435 1199 W CB -0.477 28.983 29.460 0.001 0.000 1.296 1199 W HN 0.282 8.515 8.180 0.089 0.000 0.401 1200 M N 0.671 120.350 119.600 0.132 0.000 3.655 1200 M HA -0.238 4.275 4.480 0.054 0.000 0.163 1200 M C -1.800 174.537 176.300 0.062 0.000 1.450 1200 M CA -0.506 54.845 55.300 0.085 0.000 0.973 1200 M CB -2.650 30.009 32.600 0.098 0.000 1.310 1200 M HN 0.274 8.614 8.290 0.085 0.000 0.488 1201 P HA 0.042 4.478 4.420 0.028 0.000 0.211 1201 P C 1.050 178.360 177.300 0.016 0.000 1.183 1201 P CA 1.531 64.641 63.100 0.017 0.000 0.901 1201 P CB 0.477 32.171 31.700 -0.010 0.000 0.762 1202 S N -1.919 113.786 115.700 0.009 0.000 2.356 1202 S HA -0.201 4.274 4.470 0.009 0.000 0.219 1202 S C 0.451 175.059 174.600 0.013 0.000 1.036 1202 S CA 1.247 59.452 58.200 0.009 0.000 0.965 1202 S CB 0.083 63.284 63.200 0.003 0.000 0.864 1202 S HN -0.079 8.233 8.310 0.003 0.000 0.471 1203 K N 0.000 120.409 120.400 0.014 0.000 2.780 1203 K HA 0.000 4.329 4.320 0.015 0.000 0.191 1203 K CA 0.000 56.297 56.287 0.018 0.000 0.838 1203 K CB 0.000 32.509 32.500 0.015 0.000 1.064 1203 K HN 0.000 8.257 8.250 0.011 0.000 0.543