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 1tbn_1_A DATA FIRST_RESID 94 DATA SEQUENCE QTDDPRNKHK FRLHSYSSPT FCDHCGSLLY GLVHQGMKCS CCEMNVHRRC DATA SEQUENCE VRSVPSLCGV DHTERR 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 94 Q HA 0.000 4.338 4.340 -0.004 0.000 0.214 94 Q C 0.000 175.997 176.000 -0.005 0.000 1.003 94 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 94 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 95 T N -1.380 113.171 114.554 -0.005 0.000 2.674 95 T HA -0.194 4.152 4.350 -0.006 0.000 0.265 95 T C 0.079 174.775 174.700 -0.007 0.000 1.039 95 T CA 1.470 63.566 62.100 -0.006 0.000 1.150 95 T CB 0.283 69.147 68.868 -0.005 0.000 0.864 95 T HN -0.263 7.974 8.240 -0.004 0.000 0.427 96 D N 2.025 122.421 120.400 -0.006 0.000 2.554 96 D HA -0.142 4.494 4.640 -0.007 0.000 0.251 96 D C -1.410 174.885 176.300 -0.008 0.000 1.213 96 D CA 1.015 55.011 54.000 -0.007 0.000 0.900 96 D CB 0.232 41.029 40.800 -0.005 0.000 1.135 96 D HN -0.192 8.175 8.370 -0.005 0.000 0.522 97 D N 3.964 124.358 120.400 -0.011 0.000 3.285 97 D HA 0.107 4.740 4.640 -0.012 0.000 0.273 97 D C -2.063 174.226 176.300 -0.018 0.000 1.295 97 D CA -1.016 52.976 54.000 -0.014 0.000 0.762 97 D CB 0.831 41.623 40.800 -0.014 0.000 1.379 97 D HN 0.110 8.473 8.370 -0.011 0.000 0.612 98 P HA 0.188 4.593 4.420 -0.026 0.000 0.237 98 P C -0.823 176.459 177.300 -0.031 0.000 1.788 98 P CA -0.145 62.941 63.100 -0.024 0.000 1.061 98 P CB -1.657 30.032 31.700 -0.018 0.000 1.967 99 R N 2.541 123.019 120.500 -0.038 0.000 4.306 99 R HA 0.149 4.462 4.340 -0.045 0.000 0.266 99 R C -0.891 175.364 176.300 -0.075 0.000 1.624 99 R CA -0.881 55.189 56.100 -0.049 0.000 1.487 99 R CB -1.915 28.360 30.300 -0.043 0.000 1.441 99 R HN -0.339 7.871 8.270 -0.035 0.040 0.750 100 N N 1.842 120.493 118.700 -0.082 0.000 2.466 100 N HA 0.031 4.702 4.740 -0.116 0.000 0.251 100 N C -1.270 174.130 175.510 -0.184 0.000 1.164 100 N CA -0.006 52.975 53.050 -0.116 0.000 0.888 100 N CB 0.361 38.794 38.487 -0.091 0.000 1.177 100 N HN -0.312 7.962 8.380 -0.066 0.067 0.498 101 K N -1.726 118.556 120.400 -0.196 0.000 2.288 101 K HA 0.097 4.193 4.320 -0.374 0.000 0.234 101 K C -1.668 174.671 176.600 -0.433 0.000 1.037 101 K CA -1.649 54.461 56.287 -0.294 0.000 0.914 101 K CB 1.870 34.290 32.500 -0.134 0.000 1.197 101 K HN -0.464 7.598 8.250 -0.148 0.100 0.471 102 H N -1.442 117.406 119.070 -0.370 0.000 2.683 102 H HA -0.087 4.188 4.556 -0.469 0.000 0.339 102 H C 1.247 176.138 175.328 -0.728 0.000 1.081 102 H CA 0.851 56.465 56.048 -0.723 0.000 1.432 102 H CB 0.237 29.092 29.762 -1.511 0.000 1.462 102 H HN 0.103 8.102 8.280 -0.469 0.000 0.557 103 K N 5.452 125.631 120.400 -0.369 0.000 3.192 103 K HA 0.035 4.263 4.320 -0.152 0.000 0.269 103 K C -0.439 176.081 176.600 -0.133 0.000 1.270 103 K CA -1.623 54.545 56.287 -0.198 0.000 1.249 103 K CB -0.972 31.466 32.500 -0.103 0.000 1.528 103 K HN -0.058 8.024 8.250 -0.280 0.000 0.360 104 F N 0.872 120.863 119.950 0.068 0.000 2.623 104 F HA -0.315 4.335 4.527 0.037 -0.101 0.381 104 F C 0.276 176.077 175.800 0.002 0.000 1.081 104 F CA 2.261 60.282 58.000 0.035 0.000 1.293 104 F CB -0.017 39.001 39.000 0.030 0.000 1.006 104 F HN -0.522 7.221 8.300 -0.774 0.092 0.578 105 R N 4.816 125.422 120.500 0.176 0.000 2.569 105 R HA 0.284 4.646 4.340 0.036 0.000 0.293 105 R C -1.434 174.846 176.300 -0.034 0.000 1.186 105 R CA -1.369 54.745 56.100 0.024 0.000 0.956 105 R CB 2.647 32.906 30.300 -0.069 0.000 1.196 105 R HN 0.094 8.470 8.270 0.225 0.029 0.444 106 L N 3.083 124.294 121.223 -0.019 0.000 2.601 106 L HA -0.001 4.518 4.340 -0.015 -0.188 0.277 106 L C -0.734 176.053 176.870 -0.137 0.000 1.219 106 L CA 0.774 55.593 54.840 -0.036 0.000 0.915 106 L CB -0.273 41.794 42.059 0.015 0.000 1.160 106 L HN 0.365 8.600 8.230 0.008 0.000 0.494 107 H N 7.516 126.447 119.070 -0.231 0.000 2.669 107 H HA 0.174 4.563 4.556 -0.280 0.000 0.318 107 H C -1.226 173.710 175.328 -0.655 0.000 1.429 107 H CA -1.097 54.658 56.048 -0.489 0.000 1.460 107 H CB 2.950 32.167 29.762 -0.908 0.000 1.784 107 H HN -0.110 8.114 8.280 -0.094 0.000 0.750 108 S N -0.805 114.604 115.700 -0.485 0.000 2.569 108 S HA 0.206 4.326 4.470 -0.582 0.000 0.215 108 S C -0.304 174.100 174.600 -0.328 0.000 1.096 108 S CA -0.615 57.347 58.200 -0.397 0.000 1.183 108 S CB 0.741 63.910 63.200 -0.052 0.000 1.324 108 S HN 0.154 8.262 8.310 -0.338 0.000 0.421 109 Y N 0.678 120.936 120.300 -0.069 0.000 2.084 109 Y HA -0.254 4.253 4.550 -0.072 0.000 0.279 109 Y C 0.843 176.707 175.900 -0.060 0.000 1.119 109 Y CA 1.374 59.425 58.100 -0.081 0.000 1.101 109 Y CB 0.187 38.580 38.460 -0.112 0.000 0.989 109 Y HN -0.076 7.359 8.280 -1.408 0.000 0.484 110 S N -4.949 110.806 115.700 0.090 0.000 1.491 110 S HA -0.110 4.366 4.470 0.010 0.000 0.162 110 S C -1.099 173.507 174.600 0.010 0.000 0.631 110 S CA 0.219 58.439 58.200 0.033 0.000 1.580 110 S CB -0.394 62.837 63.200 0.051 0.000 0.891 110 S HN 0.052 8.437 8.310 0.125 0.000 0.324 111 S N 1.238 116.958 115.700 0.033 0.000 2.627 111 S HA 0.412 4.868 4.470 -0.023 0.000 0.283 111 S C -2.553 172.041 174.600 -0.010 0.000 1.127 111 S CA -1.737 56.460 58.200 -0.005 0.000 0.863 111 S CB 2.363 65.558 63.200 -0.009 0.000 1.121 111 S HN -0.186 8.185 8.310 0.102 0.000 0.479 112 P HA 0.201 4.576 4.420 -0.076 0.000 0.281 112 P C -1.478 175.715 177.300 -0.178 0.000 1.252 112 P CA -0.254 62.777 63.100 -0.115 0.000 0.778 112 P CB 0.421 32.030 31.700 -0.151 0.000 0.895 113 T N 3.563 118.046 114.554 -0.118 0.000 2.810 113 T HA 0.103 4.383 4.350 -0.117 0.000 0.277 113 T C -0.462 174.090 174.700 -0.245 0.000 0.973 113 T CA -1.268 60.766 62.100 -0.110 0.000 0.949 113 T CB 1.068 69.953 68.868 0.029 0.000 1.075 113 T HN -0.156 8.054 8.240 -0.050 0.000 0.537 114 F N -1.146 118.746 119.950 -0.096 0.000 2.403 114 F HA -0.099 4.353 4.527 -0.125 0.000 0.320 114 F C 0.091 175.811 175.800 -0.133 0.000 1.176 114 F CA 0.670 58.606 58.000 -0.108 0.000 1.206 114 F CB 0.778 39.736 39.000 -0.070 0.000 1.235 114 F HN -0.160 8.406 8.300 0.444 0.000 0.565 115 C N 1.740 121.070 119.300 0.050 0.000 2.365 115 C HA 0.165 4.686 4.460 -0.120 -0.134 0.351 115 C C -0.102 174.930 174.990 0.070 0.000 1.240 115 C CA -1.871 57.125 59.018 -0.036 0.000 2.062 115 C CB 2.046 29.750 27.740 -0.061 0.000 2.387 115 C HN 0.142 8.409 8.230 0.121 0.037 0.537 116 D N 6.356 126.788 120.400 0.053 0.000 2.346 116 D HA -0.046 4.622 4.640 0.047 0.000 0.206 116 D C 0.886 177.233 176.300 0.079 0.000 1.001 116 D CA 2.021 56.056 54.000 0.058 0.000 0.871 116 D CB 0.156 40.982 40.800 0.043 0.000 0.943 116 D HN 0.263 8.645 8.370 0.020 0.000 0.518 117 H N -0.824 118.259 119.070 0.021 0.000 2.497 117 H HA 0.130 4.705 4.556 0.031 0.000 0.282 117 H C 0.552 175.912 175.328 0.054 0.000 1.003 117 H CA 1.284 57.352 56.048 0.033 0.000 1.307 117 H CB 1.233 31.006 29.762 0.019 0.000 1.437 117 H HN -0.251 8.104 8.280 0.183 0.034 0.544 118 C N -5.696 113.701 119.300 0.162 0.000 3.642 118 C HA 0.481 4.945 4.460 0.005 0.000 0.305 118 C C 0.346 175.395 174.990 0.099 0.000 1.492 118 C CA -0.573 58.513 59.018 0.112 0.000 1.809 118 C CB 1.733 29.593 27.740 0.201 0.000 2.639 118 C HN -0.484 7.880 8.230 0.224 0.000 0.672 119 G N 2.847 111.712 108.800 0.108 0.000 2.350 119 G HA2 -0.397 3.812 3.960 0.115 0.000 0.298 119 G HA3 -0.397 3.603 3.960 0.067 0.000 0.298 119 G C -1.383 173.614 174.900 0.162 0.000 1.037 119 G CA 0.893 46.058 45.100 0.109 0.000 1.074 119 G HN -0.146 8.136 8.290 0.112 0.075 0.511 120 S N -1.049 114.772 115.700 0.202 0.000 2.540 120 S HA 0.249 4.809 4.470 0.151 0.000 0.275 120 S C -0.915 173.703 174.600 0.029 0.000 1.123 120 S CA -1.005 57.288 58.200 0.154 0.000 0.907 120 S CB 3.070 66.352 63.200 0.137 0.000 1.081 120 S HN -0.482 7.957 8.310 0.215 0.000 0.476 121 L N 4.029 125.100 121.223 -0.253 0.000 2.499 121 L HA -0.175 3.866 4.340 -0.725 -0.136 0.273 121 L C 0.291 176.878 176.870 -0.472 0.000 1.195 121 L CA 0.591 55.059 54.840 -0.621 0.000 0.882 121 L CB 0.481 42.034 42.059 -0.844 0.000 1.133 121 L HN 0.549 8.658 8.230 -0.202 0.000 0.483 122 L N 4.821 125.825 121.223 -0.364 0.000 2.536 122 L HA -0.109 4.412 4.340 0.301 0.000 0.282 122 L C -0.223 176.581 176.870 -0.110 0.000 1.174 122 L CA -0.100 54.652 54.840 -0.146 0.000 0.989 122 L CB -1.856 40.034 42.059 -0.281 0.000 1.311 122 L HN -0.246 7.726 8.230 -0.430 0.000 0.455 123 Y N 3.490 123.835 120.300 0.074 0.000 2.151 123 Y HA -0.282 4.259 4.550 -0.015 0.000 0.367 123 Y C 2.153 178.066 175.900 0.021 0.000 1.247 123 Y CA 1.413 59.524 58.100 0.017 0.000 1.655 123 Y CB 0.312 38.781 38.460 0.016 0.000 1.401 123 Y HN -0.526 7.673 8.280 -0.134 0.000 0.725 124 G N -2.725 106.210 108.800 0.226 0.000 2.527 124 G HA2 -0.237 3.789 3.960 0.110 0.000 0.219 124 G HA3 -0.237 3.789 3.960 0.110 0.000 0.219 124 G C -0.057 174.916 174.900 0.122 0.000 1.117 124 G CA 1.105 46.284 45.100 0.131 0.000 0.759 124 G HN 0.492 8.947 8.290 0.275 0.000 0.556 125 L N -2.337 118.973 121.223 0.145 0.000 2.211 125 L HA -0.235 4.150 4.340 0.074 0.000 0.216 125 L C 0.070 177.000 176.870 0.099 0.000 1.092 125 L CA 1.235 56.140 54.840 0.108 0.000 0.767 125 L CB 0.064 42.197 42.059 0.124 0.000 0.894 125 L HN -0.583 7.704 8.230 0.205 0.066 0.437 126 V N -8.223 111.758 119.914 0.111 0.000 2.569 126 V HA 0.179 4.351 4.120 0.087 0.000 0.301 126 V C -1.649 174.506 176.094 0.101 0.000 1.044 126 V CA -2.277 60.079 62.300 0.092 0.000 0.874 126 V CB 2.310 34.178 31.823 0.075 0.000 1.002 126 V HN -0.676 7.544 8.190 0.124 0.044 0.424 127 H N 9.817 128.884 119.070 -0.005 0.000 3.299 127 H HA -0.334 4.214 4.556 -0.014 0.000 0.225 127 H C -0.367 174.936 175.328 -0.040 0.000 0.834 127 H CA 1.576 57.610 56.048 -0.022 0.000 1.370 127 H CB -0.272 29.470 29.762 -0.033 0.000 1.526 127 H HN 0.276 8.669 8.280 0.189 0.000 0.504 128 Q N 1.010 120.692 119.800 -0.198 0.000 1.097 128 Q HA -0.321 3.929 4.340 -0.150 0.000 0.315 128 Q C -1.698 174.240 176.000 -0.103 0.000 1.024 128 Q CA 0.951 56.633 55.803 -0.201 0.000 0.655 128 Q CB -1.135 27.377 28.738 -0.378 0.000 4.546 128 Q HN -0.448 7.759 8.270 -0.106 0.000 0.464 129 G N -2.620 106.146 108.800 -0.056 0.000 2.537 129 G HA2 0.388 4.278 3.960 -0.116 0.000 0.308 129 G HA3 0.388 4.331 3.960 -0.028 0.000 0.308 129 G C -1.734 173.169 174.900 0.005 0.000 1.237 129 G CA -1.417 43.654 45.100 -0.048 0.000 0.968 129 G HN 0.007 8.281 8.290 -0.027 0.000 0.481 130 M N -0.092 119.491 119.600 -0.028 0.000 2.135 130 M HA 0.166 4.682 4.480 0.059 0.000 0.345 130 M C -1.052 175.351 176.300 0.171 0.000 1.340 130 M CA -0.408 54.918 55.300 0.043 0.000 1.162 130 M CB -0.659 31.908 32.600 -0.055 0.000 1.570 130 M HN -0.174 8.050 8.290 -0.110 0.000 0.454 131 K N 6.036 126.577 120.400 0.235 0.000 2.276 131 K HA 0.227 4.947 4.320 0.259 -0.245 0.285 131 K C -0.819 175.941 176.600 0.268 0.000 1.062 131 K CA -1.036 55.424 56.287 0.288 0.000 0.918 131 K CB 1.397 34.147 32.500 0.416 0.000 1.055 131 K HN -0.122 8.247 8.250 0.197 0.000 0.477 132 C N 7.956 127.414 119.300 0.263 0.000 2.651 132 C HA -0.065 4.504 4.460 -0.016 -0.118 0.410 132 C C 0.343 175.360 174.990 0.044 0.000 1.372 132 C CA -0.774 58.280 59.018 0.060 0.000 1.707 132 C CB -1.071 26.625 27.740 -0.073 0.000 2.501 132 C HN 0.400 8.752 8.230 0.280 0.046 0.598 133 S N 8.672 124.375 115.700 0.006 0.000 2.930 133 S HA 0.009 4.511 4.470 0.054 0.000 0.257 133 S C -0.733 173.864 174.600 -0.006 0.000 1.208 133 S CA 0.754 58.964 58.200 0.017 0.000 1.233 133 S CB -1.465 61.736 63.200 0.001 0.000 0.900 133 S HN 0.333 8.491 8.310 -0.028 0.135 0.472 134 C N -1.780 117.516 119.300 -0.005 0.000 4.061 134 C HA 0.209 4.660 4.460 -0.016 0.000 0.568 134 C C -0.124 174.871 174.990 0.008 0.000 1.261 134 C CA 0.279 59.288 59.018 -0.015 0.000 2.569 134 C CB 3.195 30.903 27.740 -0.053 0.000 3.702 134 C HN -0.281 7.848 8.230 0.009 0.107 0.477 135 C N -0.604 118.717 119.300 0.036 0.000 3.785 135 C HA 0.149 4.623 4.460 0.024 0.000 0.312 135 C C -0.695 174.323 174.990 0.047 0.000 1.566 135 C CA -1.696 57.348 59.018 0.044 0.000 1.837 135 C CB 1.903 29.690 27.740 0.078 0.000 2.826 135 C HN -0.485 7.771 8.230 0.043 0.000 0.667 136 E N -0.883 119.351 120.200 0.057 0.000 3.726 136 E HA -0.430 4.051 4.350 0.091 -0.076 0.165 136 E C -2.016 174.625 176.600 0.068 0.000 1.525 136 E CA 0.485 56.925 56.400 0.067 0.000 0.867 136 E CB -2.061 27.665 29.700 0.044 0.000 1.077 136 E HN -0.162 8.231 8.360 0.056 0.000 0.378 137 M N 1.411 121.071 119.600 0.100 0.000 2.124 137 M HA 0.179 4.698 4.480 0.064 0.000 0.280 137 M C -1.795 174.605 176.300 0.167 0.000 0.954 137 M CA -0.640 54.721 55.300 0.102 0.000 0.958 137 M CB 3.358 35.979 32.600 0.034 0.000 1.611 137 M HN -0.561 7.907 8.290 0.129 -0.101 0.449 138 N N 8.430 127.184 118.700 0.090 0.000 2.444 138 N HA 0.688 5.659 4.740 0.087 -0.179 0.271 138 N C -0.783 174.687 175.510 -0.067 0.000 1.069 138 N CA -0.557 52.519 53.050 0.044 0.000 0.965 138 N CB 1.274 39.782 38.487 0.035 0.000 1.092 138 N HN 0.427 8.864 8.380 0.064 -0.018 0.476 139 V N -3.016 116.782 119.914 -0.194 0.000 3.103 139 V HA 0.623 4.608 4.120 -0.226 0.000 0.311 139 V C -0.999 174.866 176.094 -0.382 0.000 1.322 139 V CA -3.445 58.669 62.300 -0.310 0.000 1.063 139 V CB 2.557 34.090 31.823 -0.483 0.000 1.090 139 V HN -0.245 7.842 8.190 -0.171 0.000 0.462 140 H N 0.414 119.364 119.070 -0.200 0.000 2.490 140 H HA 0.257 4.748 4.556 -0.109 0.000 0.354 140 H C 1.519 176.734 175.328 -0.189 0.000 1.365 140 H CA -0.143 55.817 56.048 -0.146 0.000 1.413 140 H CB 1.880 31.588 29.762 -0.089 0.000 1.631 140 H HN 0.242 8.460 8.280 -0.104 0.000 0.607 141 R N -1.963 118.566 120.500 0.047 0.000 2.240 141 R HA -0.088 4.209 4.340 -0.072 0.000 0.203 141 R C 0.818 177.097 176.300 -0.035 0.000 1.011 141 R CA 1.886 57.972 56.100 -0.022 0.000 1.007 141 R CB 0.522 30.830 30.300 0.013 0.000 0.911 141 R HN 0.311 8.667 8.270 0.144 0.000 0.468 142 R N -5.144 115.343 120.500 -0.020 0.000 2.472 142 R HA 0.180 4.493 4.340 -0.044 0.000 0.279 142 R C -0.213 176.033 176.300 -0.090 0.000 0.953 142 R CA 0.636 56.708 56.100 -0.047 0.000 1.088 142 R CB -0.606 29.672 30.300 -0.037 0.000 1.197 142 R HN 0.029 8.277 8.270 0.030 0.040 0.536 143 C N -0.826 118.400 119.300 -0.123 0.000 2.590 143 C HA 0.292 4.583 4.460 -0.281 0.000 0.272 143 C C 1.042 175.799 174.990 -0.389 0.000 1.338 143 C CA 0.713 59.569 59.018 -0.271 0.000 1.746 143 C CB -1.210 26.432 27.740 -0.162 0.000 2.020 143 C HN -0.028 7.976 8.230 -0.086 0.174 0.531 144 V N 0.804 120.539 119.914 -0.299 0.000 2.407 144 V HA -0.385 3.603 4.120 -0.221 0.000 0.248 144 V C 1.955 178.015 176.094 -0.058 0.000 1.055 144 V CA 3.454 65.632 62.300 -0.202 0.000 1.049 144 V CB -0.569 31.160 31.823 -0.157 0.000 0.662 144 V HN -0.174 7.858 8.190 -0.265 0.000 0.455 145 R N -4.600 115.860 120.500 -0.066 0.000 2.293 145 R HA -0.246 4.104 4.340 0.016 0.000 0.219 145 R C 0.553 176.831 176.300 -0.036 0.000 1.091 145 R CA 2.102 58.189 56.100 -0.022 0.000 1.004 145 R CB -0.448 29.840 30.300 -0.019 0.000 0.865 145 R HN 0.305 8.521 8.270 -0.090 0.000 0.469 146 S N -2.466 113.162 115.700 -0.120 0.000 2.470 146 S HA -0.031 4.436 4.470 -0.004 0.000 0.222 146 S C -0.271 174.320 174.600 -0.014 0.000 1.024 146 S CA 0.872 59.016 58.200 -0.093 0.000 0.931 146 S CB 1.083 64.147 63.200 -0.227 0.000 0.791 146 S HN -0.450 7.530 8.310 -0.206 0.207 0.513 147 V N 3.769 123.649 119.914 -0.057 0.000 2.649 147 V HA 0.161 4.401 4.120 0.199 0.000 0.292 147 V C -0.940 175.244 176.094 0.150 0.000 1.055 147 V CA -2.286 60.089 62.300 0.126 0.000 1.023 147 V CB -0.468 31.468 31.823 0.188 0.000 0.992 147 V HN -0.789 7.201 8.190 -0.157 0.106 0.480 148 P HA 0.081 4.555 4.420 0.090 0.000 0.235 148 P C -1.523 175.840 177.300 0.105 0.000 1.725 148 P CA -0.814 62.353 63.100 0.112 0.000 0.894 148 P CB -2.099 29.658 31.700 0.096 0.000 1.704 149 S N -3.695 112.096 115.700 0.152 0.000 3.310 149 S HA -0.500 4.043 4.470 0.121 0.000 0.381 149 S C -0.201 174.347 174.600 -0.088 0.000 0.908 149 S CA 0.482 58.706 58.200 0.039 0.000 1.333 149 S CB -0.965 62.219 63.200 -0.027 0.000 0.931 149 S HN -0.179 8.146 8.310 0.211 0.112 0.570 150 L N 1.717 122.968 121.223 0.046 0.000 2.923 150 L HA 0.175 4.499 4.340 -0.026 0.000 0.231 150 L C -1.028 175.710 176.870 -0.219 0.000 1.300 150 L CA -0.571 54.292 54.840 0.038 0.000 1.184 150 L CB 0.004 42.209 42.059 0.244 0.000 1.511 150 L HN -0.317 8.194 8.230 0.468 0.000 0.448 151 C N 0.809 119.684 119.300 -0.708 0.000 2.376 151 C HA 0.193 4.520 4.460 -0.221 0.000 0.335 151 C C 0.524 175.368 174.990 -0.244 0.000 1.229 151 C CA 0.250 58.925 59.018 -0.572 0.000 1.867 151 C CB 1.611 28.832 27.740 -0.865 0.000 2.319 151 C HN -0.642 7.135 8.230 -0.644 0.067 0.515 152 G N 7.140 115.860 108.800 -0.133 0.000 2.180 152 G HA2 -0.234 3.677 3.960 -0.081 0.000 0.263 152 G HA3 -0.234 3.663 3.960 -0.103 0.000 0.263 152 G C -0.364 174.481 174.900 -0.091 0.000 0.989 152 G CA 1.377 46.416 45.100 -0.100 0.000 0.692 152 G HN 0.399 8.636 8.290 -0.089 0.000 0.526 153 V N -0.740 119.120 119.914 -0.091 0.000 2.854 153 V HA 0.176 4.262 4.120 -0.056 0.000 0.366 153 V C -0.283 175.763 176.094 -0.081 0.000 1.322 153 V CA -1.204 61.057 62.300 -0.065 0.000 1.243 153 V CB 0.227 32.022 31.823 -0.046 0.000 1.337 153 V HN -0.568 7.497 8.190 -0.095 0.068 0.585 154 D N 1.686 121.983 120.400 -0.171 0.000 2.084 154 D HA -0.193 4.240 4.640 -0.346 0.000 0.231 154 D C -0.015 175.986 176.300 -0.498 0.000 1.023 154 D CA 2.157 55.888 54.000 -0.448 0.000 0.934 154 D CB 0.342 40.801 40.800 -0.568 0.000 1.205 154 D HN 0.242 8.461 8.370 -0.149 0.061 0.485 155 H N -5.227 113.851 119.070 0.012 0.000 2.829 155 H HA 0.001 4.561 4.556 0.007 0.000 0.252 155 H C -1.753 173.579 175.328 0.007 0.000 1.424 155 H CA -0.817 55.236 56.048 0.009 0.000 1.094 155 H CB 0.308 30.077 29.762 0.012 0.000 1.734 155 H HN -0.089 7.936 8.280 -0.425 0.000 0.474 156 T N -0.163 114.546 114.554 0.258 0.000 2.848 156 T HA 0.190 4.630 4.350 0.151 0.000 0.285 156 T C 0.141 174.905 174.700 0.106 0.000 0.995 156 T CA -0.313 61.877 62.100 0.150 0.000 0.970 156 T CB 1.935 70.848 68.868 0.075 0.000 0.976 156 T HN -0.120 8.255 8.240 0.226 0.000 0.441 157 E N 3.867 124.122 120.200 0.091 0.000 2.504 157 E HA -0.253 4.098 4.350 0.002 0.000 0.266 157 E C 0.150 176.754 176.600 0.005 0.000 1.239 157 E CA 0.670 57.088 56.400 0.030 0.000 1.064 157 E CB 0.570 30.289 29.700 0.032 0.000 0.996 157 E HN 0.443 8.867 8.360 0.107 0.000 0.479 158 R N 0.471 120.963 120.500 -0.012 0.000 3.760 158 R HA 0.158 4.493 4.340 -0.008 0.000 0.310 158 R C -0.759 175.537 176.300 -0.005 0.000 1.414 158 R CA -0.733 55.360 56.100 -0.013 0.000 1.410 158 R CB -1.758 28.527 30.300 -0.025 0.000 1.459 158 R HN 0.293 8.551 8.270 -0.019 0.000 0.663 159 R N 0.000 120.501 120.500 0.001 0.000 2.786 159 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 159 R CA 0.000 56.101 56.100 0.002 0.000 0.921 159 R CB 0.000 30.303 30.300 0.004 0.000 0.687 159 R HN 0.000 8.213 8.270 0.006 0.061 0.535