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 1rfh_1_A DATA FIRST_RESID 108 DATA SEQUENCE PRVLAERGEG HRFVELALRG GPGWCDLCGR EVLRQALRCA NCKFTCHSEC DATA SEQUENCE RSLIQLDCR 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 108 P HA 0.000 4.426 4.420 0.009 0.000 0.216 108 P C 0.000 177.307 177.300 0.012 0.000 1.155 108 P CA 0.000 63.106 63.100 0.011 0.000 0.800 108 P CB 0.000 31.706 31.700 0.010 0.000 0.726 109 R N 2.647 123.155 120.500 0.014 0.000 2.474 109 R HA -0.028 4.321 4.340 0.015 0.000 0.339 109 R C 0.655 176.965 176.300 0.016 0.000 1.033 109 R CA 0.014 56.123 56.100 0.016 0.000 0.997 109 R CB -0.643 29.669 30.300 0.019 0.000 0.963 109 R HN 0.332 8.611 8.270 0.014 0.000 0.438 110 V N 0.519 120.441 119.914 0.014 0.000 2.685 110 V HA -0.003 4.125 4.120 0.014 0.000 0.244 110 V C -0.192 175.911 176.094 0.015 0.000 1.054 110 V CA 0.839 63.147 62.300 0.014 0.000 1.076 110 V CB 0.606 32.435 31.823 0.011 0.000 0.725 110 V HN 0.220 8.417 8.190 0.013 0.000 0.467 111 L N 1.097 122.329 121.223 0.016 0.000 2.312 111 L HA 0.123 4.472 4.340 0.016 0.000 0.281 111 L C -0.591 176.292 176.870 0.023 0.000 1.070 111 L CA -0.515 54.335 54.840 0.017 0.000 0.805 111 L CB 0.467 42.535 42.059 0.015 0.000 1.174 111 L HN -0.655 7.584 8.230 0.015 0.000 0.434 112 A N 2.853 125.689 122.820 0.026 0.000 2.350 112 A HA 0.216 4.558 4.320 0.038 0.000 0.324 112 A C -0.777 176.830 177.584 0.039 0.000 1.118 112 A CA -1.080 50.979 52.037 0.036 0.000 0.783 112 A CB 1.768 20.793 19.000 0.042 0.000 1.236 112 A HN 0.060 8.223 8.150 0.022 0.000 0.457 113 E N 3.217 123.446 120.200 0.048 0.000 2.037 113 E HA -0.236 4.137 4.350 0.039 0.000 0.253 113 E C 0.809 177.444 176.600 0.059 0.000 1.265 113 E CA 0.549 56.979 56.400 0.050 0.000 0.972 113 E CB -0.612 29.123 29.700 0.057 0.000 1.054 113 E HN 0.436 8.827 8.360 0.052 0.000 0.432 114 R N 4.354 124.878 120.500 0.040 0.000 2.064 114 R HA -0.312 4.049 4.340 0.036 0.000 0.228 114 R C 0.618 176.940 176.300 0.037 0.000 1.144 114 R CA 1.544 57.663 56.100 0.033 0.000 0.932 114 R CB 0.261 30.571 30.300 0.016 0.000 0.833 114 R HN -0.065 8.224 8.270 0.031 0.000 0.429 115 G N -2.424 106.392 108.800 0.027 0.000 2.860 115 G HA2 -0.334 3.637 3.960 0.019 0.000 0.553 115 G HA3 -0.334 3.648 3.960 0.037 0.000 0.553 115 G C -0.489 174.413 174.900 0.003 0.000 1.439 115 G CA -0.661 44.453 45.100 0.023 0.000 0.879 115 G HN -0.405 7.899 8.290 0.023 0.000 0.545 116 E N 2.093 122.290 120.200 -0.005 0.000 2.467 116 E HA -0.000 4.335 4.350 -0.025 0.000 0.321 116 E C -0.292 176.275 176.600 -0.054 0.000 1.388 116 E CA -0.554 55.831 56.400 -0.025 0.000 1.508 116 E CB -0.935 28.753 29.700 -0.020 0.000 1.250 116 E HN 0.259 8.621 8.360 0.003 0.000 0.500 117 G N 0.503 109.261 108.800 -0.070 0.000 2.564 117 G HA2 0.054 3.895 3.960 -0.199 0.000 0.139 117 G HA3 0.054 3.893 3.960 -0.203 0.000 0.139 117 G C -1.397 173.421 174.900 -0.136 0.000 1.147 117 G CA -0.473 44.527 45.100 -0.166 0.000 1.031 117 G HN -0.145 8.045 8.290 -0.042 0.074 0.482 118 H N 1.484 120.504 119.070 -0.083 0.000 2.790 118 H HA 0.024 4.402 4.556 -0.297 0.000 0.358 118 H C 0.564 175.793 175.328 -0.164 0.000 1.103 118 H CA 0.522 56.406 56.048 -0.273 0.000 1.426 118 H CB 0.385 29.767 29.762 -0.633 0.000 1.424 118 H HN 0.185 8.218 8.280 -0.412 0.000 0.599 119 R N 0.393 120.842 120.500 -0.084 0.000 2.090 119 R HA -0.007 4.529 4.340 0.070 -0.155 0.219 119 R C -0.736 175.642 176.300 0.131 0.000 1.100 119 R CA 0.488 56.598 56.100 0.018 0.000 0.991 119 R CB 1.243 31.538 30.300 -0.009 0.000 0.893 119 R HN -0.296 7.869 8.270 -0.175 0.000 0.443 120 F N -3.792 116.191 119.950 0.055 0.000 2.086 120 F HA -0.308 4.338 4.527 0.025 -0.104 0.338 120 F C -1.309 174.512 175.800 0.036 0.000 1.105 120 F CA 0.671 58.695 58.000 0.040 0.000 1.151 120 F CB -1.137 37.896 39.000 0.055 0.000 1.729 120 F HN -0.576 7.514 8.300 -0.349 0.000 0.750 121 V N 3.320 123.348 119.914 0.189 0.000 2.368 121 V HA 0.015 4.202 4.120 0.112 0.000 0.266 121 V C 0.184 176.350 176.094 0.119 0.000 1.045 121 V CA -0.263 62.110 62.300 0.122 0.000 0.899 121 V CB 0.544 32.411 31.823 0.074 0.000 1.006 121 V HN 0.840 8.987 8.190 0.163 0.140 0.470 122 E N 8.472 128.731 120.200 0.099 0.000 2.498 122 E HA -0.220 4.325 4.350 0.078 -0.148 0.252 122 E C -0.359 176.278 176.600 0.061 0.000 1.025 122 E CA 1.092 57.537 56.400 0.074 0.000 0.938 122 E CB 0.259 29.992 29.700 0.055 0.000 0.947 122 E HN 0.450 8.868 8.360 0.096 0.000 0.478 123 L N 6.449 127.708 121.223 0.060 0.000 2.312 123 L HA 0.091 4.461 4.340 0.049 0.000 0.287 123 L C -1.306 175.589 176.870 0.041 0.000 1.091 123 L CA -1.009 53.861 54.840 0.051 0.000 0.846 123 L CB 0.471 42.563 42.059 0.055 0.000 1.219 123 L HN -0.132 8.137 8.230 0.065 0.000 0.439 124 A N 7.568 130.409 122.820 0.036 0.000 2.594 124 A HA -0.104 4.234 4.320 0.029 0.000 0.291 124 A C 0.078 177.680 177.584 0.030 0.000 1.374 124 A CA 0.363 52.418 52.037 0.030 0.000 1.025 124 A CB -0.511 18.505 19.000 0.026 0.000 1.072 124 A HN 0.448 8.620 8.150 0.036 0.000 0.555 125 L N 5.481 126.723 121.223 0.031 0.000 2.511 125 L HA -0.047 4.440 4.340 0.037 -0.125 0.239 125 L C 0.419 177.306 176.870 0.027 0.000 1.400 125 L CA 0.243 55.103 54.840 0.033 0.000 1.226 125 L CB -1.326 40.754 42.059 0.036 0.000 1.475 125 L HN 0.132 8.381 8.230 0.031 0.000 0.428 126 R N 1.109 121.624 120.500 0.025 0.000 2.893 126 R HA 0.107 4.459 4.340 0.019 0.000 0.317 126 R C 0.297 176.609 176.300 0.020 0.000 1.239 126 R CA -0.144 55.969 56.100 0.020 0.000 1.128 126 R CB 0.504 30.815 30.300 0.018 0.000 1.377 126 R HN 0.118 8.333 8.270 0.025 0.071 0.583 127 G N -1.199 107.615 108.800 0.024 0.000 3.302 127 G HA2 -0.168 3.806 3.960 0.024 0.000 0.216 127 G HA3 -0.168 3.804 3.960 0.021 0.000 0.216 127 G C -1.081 173.837 174.900 0.031 0.000 1.008 127 G CA -0.231 44.884 45.100 0.024 0.000 0.852 127 G HN -0.124 8.090 8.290 0.028 0.092 0.485 128 G N 2.709 111.529 108.800 0.035 0.000 2.368 128 G HA2 0.474 4.460 3.960 0.043 0.000 0.320 128 G HA3 0.474 4.456 3.960 0.036 0.000 0.320 128 G C -2.352 172.586 174.900 0.064 0.000 1.158 128 G CA -2.084 43.042 45.100 0.043 0.000 0.912 128 G HN -0.067 8.243 8.290 0.032 0.000 0.456 129 P HA -0.062 4.420 4.420 0.105 0.000 0.274 129 P C -0.899 176.508 177.300 0.178 0.000 1.260 129 P CA -0.613 62.573 63.100 0.143 0.000 0.793 129 P CB 0.961 32.796 31.700 0.225 0.000 1.048 130 G N -1.722 107.200 108.800 0.203 0.000 2.662 130 G HA2 0.384 4.470 3.960 0.210 0.000 0.302 130 G HA3 0.384 4.401 3.960 0.094 0.000 0.302 130 G C -2.561 172.479 174.900 0.234 0.000 1.389 130 G CA 0.006 45.224 45.100 0.196 0.000 0.998 130 G HN -0.189 8.192 8.290 0.152 0.000 0.502 131 W N 1.959 123.182 121.300 -0.127 0.000 2.361 131 W HA 0.629 5.357 4.660 -0.161 -0.164 0.314 131 W C -0.218 176.132 176.519 -0.281 0.000 1.041 131 W CA -3.210 54.031 57.345 -0.173 0.000 1.241 131 W CB 0.871 30.254 29.460 -0.128 0.000 1.279 131 W HN -0.113 8.257 8.180 0.317 0.000 0.436 132 C N 8.756 127.865 119.300 -0.319 0.000 2.887 132 C HA 0.013 4.451 4.460 -0.395 -0.216 0.392 132 C C 1.150 175.955 174.990 -0.309 0.000 1.191 132 C CA -0.583 58.168 59.018 -0.445 0.000 1.252 132 C CB -1.817 25.415 27.740 -0.847 0.000 1.926 132 C HN 0.565 8.527 8.230 -0.447 0.000 0.589 133 D N 7.817 127.947 120.400 -0.450 0.000 2.220 133 D HA -0.387 3.995 4.640 -0.430 0.000 0.198 133 D C 0.894 176.715 176.300 -0.799 0.000 1.001 133 D CA 3.198 56.724 54.000 -0.790 0.000 0.875 133 D CB -0.520 39.354 40.800 -1.543 0.000 0.921 133 D HN 0.379 8.504 8.370 -0.380 0.016 0.454 134 L N -1.773 119.114 121.223 -0.560 0.000 1.970 134 L HA -0.226 4.224 4.340 0.182 0.000 0.212 134 L C 1.082 177.952 176.870 0.000 0.000 1.071 134 L CA 3.155 57.980 54.840 -0.025 0.000 0.751 134 L CB 0.278 42.456 42.059 0.200 0.000 0.889 134 L HN -0.200 7.699 8.230 -0.495 0.034 0.432 135 C N -4.160 115.137 119.300 -0.005 0.000 2.564 135 C HA 0.233 4.718 4.460 0.042 0.000 0.281 135 C C 1.177 176.167 174.990 0.000 0.000 1.314 135 C CA -0.290 58.745 59.018 0.028 0.000 1.706 135 C CB 1.667 29.455 27.740 0.080 0.000 2.109 135 C HN -0.475 7.739 8.230 -0.026 0.000 0.502 136 G N -1.522 107.262 108.800 -0.026 0.000 2.151 136 G HA2 -0.187 3.802 3.960 0.049 0.000 0.140 136 G HA3 -0.187 3.795 3.960 0.037 0.000 0.140 136 G C -0.886 173.995 174.900 -0.032 0.000 1.020 136 G CA -0.313 44.797 45.100 0.018 0.000 0.688 136 G HN 0.372 8.546 8.290 -0.059 0.080 0.500 137 R N -0.998 119.436 120.500 -0.110 0.000 2.893 137 R HA 0.289 4.410 4.340 -0.365 0.000 0.223 137 R C -1.423 174.569 176.300 -0.514 0.000 1.433 137 R CA -2.314 53.632 56.100 -0.257 0.000 1.063 137 R CB 1.621 31.887 30.300 -0.056 0.000 1.758 137 R HN -0.272 7.966 8.270 -0.053 0.000 0.524 138 E N -0.761 119.137 120.200 -0.503 0.000 2.216 138 E HA 0.281 4.215 4.350 -0.887 -0.116 0.279 138 E C 0.198 176.760 176.600 -0.065 0.000 0.997 138 E CA -0.337 55.739 56.400 -0.541 0.000 0.817 138 E CB 1.434 30.832 29.700 -0.502 0.000 1.096 138 E HN 0.145 8.290 8.360 -0.358 0.000 0.393 139 V N 3.396 123.261 119.914 -0.082 0.000 2.435 139 V HA 0.550 4.907 4.120 0.395 0.000 0.290 139 V C -1.244 174.884 176.094 0.056 0.000 1.030 139 V CA -2.213 60.139 62.300 0.086 0.000 0.881 139 V CB 1.017 32.779 31.823 -0.102 0.000 0.983 139 V HN 1.070 9.038 8.190 -0.180 0.113 0.445 140 L N 5.223 126.490 121.223 0.074 0.000 2.356 140 L HA 0.044 4.399 4.340 0.025 0.000 0.193 140 L C 0.561 177.453 176.870 0.036 0.000 1.087 140 L CA 0.867 55.727 54.840 0.033 0.000 0.817 140 L CB 0.226 42.291 42.059 0.009 0.000 1.035 140 L HN 0.219 8.517 8.230 0.115 0.000 0.482 141 R N -1.233 119.292 120.500 0.041 0.000 2.863 141 R HA -0.130 4.223 4.340 0.021 0.000 0.273 141 R C -0.319 176.003 176.300 0.037 0.000 1.057 141 R CA -0.258 55.860 56.100 0.031 0.000 1.191 141 R CB 0.578 30.891 30.300 0.022 0.000 1.104 141 R HN -0.393 7.906 8.270 0.047 0.000 0.519 142 Q N 0.405 120.221 119.800 0.027 0.000 2.426 142 Q HA -0.240 4.120 4.340 0.033 0.000 0.253 142 Q C -0.602 175.416 176.000 0.030 0.000 1.313 142 Q CA 0.724 56.544 55.803 0.029 0.000 0.902 142 Q CB -1.068 27.684 28.738 0.023 0.000 1.563 142 Q HN 0.363 8.645 8.270 0.020 0.000 0.517 143 A N 3.619 126.462 122.820 0.037 0.000 2.531 143 A HA -0.127 4.261 4.320 0.030 -0.050 0.236 143 A C -1.149 176.464 177.584 0.050 0.000 1.062 143 A CA 0.606 52.663 52.037 0.033 0.000 0.760 143 A CB 0.916 19.924 19.000 0.013 0.000 0.995 143 A HN 0.022 8.187 8.150 0.039 0.008 0.501 144 L N 2.955 124.200 121.223 0.038 0.000 2.261 144 L HA 0.165 4.584 4.340 0.133 0.000 0.289 144 L C -0.948 176.124 176.870 0.336 0.000 1.059 144 L CA -0.649 54.256 54.840 0.108 0.000 0.816 144 L CB 0.306 42.234 42.059 -0.219 0.000 1.191 144 L HN -0.046 8.183 8.230 -0.001 0.000 0.431 145 R N 6.119 126.802 120.500 0.305 0.000 2.233 145 R HA 0.338 5.067 4.340 0.297 -0.211 0.334 145 R C -1.115 175.288 176.300 0.171 0.000 1.037 145 R CA -1.941 54.310 56.100 0.253 0.000 0.920 145 R CB 0.202 30.590 30.300 0.147 0.000 1.137 145 R HN 0.091 8.399 8.270 0.232 0.102 0.492 146 C N 8.024 127.341 119.300 0.029 0.000 2.518 146 C HA 0.248 4.597 4.460 -0.308 -0.073 0.456 146 C C 0.276 175.126 174.990 -0.234 0.000 1.016 146 C CA -2.297 56.490 59.018 -0.386 0.000 1.210 146 C CB -1.928 25.097 27.740 -1.191 0.000 1.542 146 C HN 0.330 8.657 8.230 0.161 0.000 0.545 147 A N 7.669 130.429 122.820 -0.100 0.000 2.178 147 A HA -0.189 4.102 4.320 -0.048 0.000 0.218 147 A C 0.400 177.928 177.584 -0.094 0.000 1.157 147 A CA 2.421 54.419 52.037 -0.065 0.000 0.689 147 A CB -0.204 18.784 19.000 -0.021 0.000 0.787 147 A HN -0.196 7.885 8.150 -0.055 0.035 0.465 148 N N -3.420 115.202 118.700 -0.130 0.000 2.381 148 N HA -0.136 4.563 4.740 -0.069 0.000 0.182 148 N C 0.241 175.683 175.510 -0.114 0.000 1.025 148 N CA 1.648 54.637 53.050 -0.102 0.000 0.888 148 N CB 0.111 38.546 38.487 -0.087 0.000 0.965 148 N HN -0.056 8.147 8.380 -0.168 0.076 0.438 149 C N -8.713 110.473 119.300 -0.190 0.000 4.722 149 C HA 0.190 4.565 4.460 -0.141 0.000 0.452 149 C C -0.364 174.430 174.990 -0.327 0.000 0.910 149 C CA 0.232 59.130 59.018 -0.199 0.000 2.392 149 C CB 1.576 29.233 27.740 -0.139 0.000 2.926 149 C HN -0.074 7.864 8.230 -0.249 0.143 0.368 150 K N 2.034 122.134 120.400 -0.500 0.000 2.959 150 K HA 0.120 3.913 4.320 -0.879 0.000 0.336 150 K C -0.738 175.553 176.600 -0.515 0.000 0.984 150 K CA 0.861 56.714 56.287 -0.724 0.000 1.325 150 K CB 0.839 32.892 32.500 -0.745 0.000 1.390 150 K HN -0.354 7.561 8.250 -0.559 0.000 0.615 151 F N -6.162 113.748 119.950 -0.067 0.000 3.129 151 F HA 0.445 4.955 4.527 -0.029 0.000 0.326 151 F C -0.962 174.867 175.800 0.049 0.000 1.202 151 F CA -3.261 54.731 58.000 -0.013 0.000 0.929 151 F CB 0.667 39.664 39.000 -0.005 0.000 1.473 151 F HN -0.300 7.846 8.300 -0.257 0.000 0.512 152 T N 3.496 118.249 114.554 0.333 0.000 2.840 152 T HA 0.080 4.776 4.350 0.211 -0.220 0.276 152 T C -0.440 174.324 174.700 0.107 0.000 0.912 152 T CA 0.947 63.153 62.100 0.177 0.000 1.116 152 T CB -1.916 66.997 68.868 0.075 0.000 0.895 152 T HN -0.072 8.450 8.240 0.277 -0.115 0.570 153 C N 5.242 124.656 119.300 0.190 0.000 2.349 153 C HA 0.350 4.814 4.460 0.007 0.000 0.361 153 C C -0.510 174.479 174.990 -0.001 0.000 1.189 153 C CA -3.353 55.727 59.018 0.103 0.000 2.155 153 C CB 2.351 30.236 27.740 0.243 0.000 2.336 153 C HN 0.914 9.203 8.230 0.277 0.107 0.540 154 H N 1.141 120.220 119.070 0.015 0.000 2.790 154 H HA -0.041 4.503 4.556 -0.020 0.000 0.358 154 H C 1.441 176.739 175.328 -0.051 0.000 1.103 154 H CA 0.872 56.907 56.048 -0.022 0.000 1.426 154 H CB 1.387 31.131 29.762 -0.030 0.000 1.424 154 H HN -0.210 8.097 8.280 0.045 0.000 0.599 155 S N 1.848 117.612 115.700 0.107 0.000 2.359 155 S HA -0.450 3.991 4.470 -0.047 0.000 0.222 155 S C 2.385 176.972 174.600 -0.022 0.000 1.038 155 S CA 4.148 62.350 58.200 0.003 0.000 1.051 155 S CB 0.078 63.282 63.200 0.006 0.000 0.944 155 S HN 0.661 9.070 8.310 0.165 0.000 0.433 156 E N -0.332 119.862 120.200 -0.009 0.000 2.338 156 E HA -0.236 4.093 4.350 -0.035 0.000 0.197 156 E C 0.919 177.510 176.600 -0.016 0.000 1.007 156 E CA 2.460 58.842 56.400 -0.030 0.000 0.849 156 E CB -0.171 29.498 29.700 -0.053 0.000 0.774 156 E HN 0.256 8.616 8.360 0.000 0.000 0.506 157 C N -2.803 116.511 119.300 0.023 0.000 2.495 157 C HA 0.115 4.594 4.460 0.032 0.000 0.275 157 C C 1.621 176.619 174.990 0.012 0.000 1.392 157 C CA 1.615 60.661 59.018 0.046 0.000 1.766 157 C CB -1.321 26.497 27.740 0.129 0.000 1.933 157 C HN 0.004 8.096 8.230 0.061 0.175 0.519 158 R N 0.530 120.990 120.500 -0.067 0.000 2.105 158 R HA -0.281 3.955 4.340 -0.174 0.000 0.239 158 R C 2.172 178.425 176.300 -0.078 0.000 1.135 158 R CA 2.630 58.619 56.100 -0.185 0.000 0.967 158 R CB -1.401 28.645 30.300 -0.422 0.000 0.861 158 R HN -0.295 7.792 8.270 -0.068 0.143 0.442 159 S N -1.405 114.266 115.700 -0.047 0.000 2.423 159 S HA -0.192 4.272 4.470 -0.010 0.000 0.231 159 S C 0.809 175.420 174.600 0.018 0.000 1.014 159 S CA 2.325 60.517 58.200 -0.012 0.000 0.965 159 S CB -0.246 62.945 63.200 -0.015 0.000 0.785 159 S HN -0.208 8.055 8.310 -0.055 0.014 0.495 160 L N -1.364 119.875 121.223 0.026 0.000 2.341 160 L HA -0.114 4.247 4.340 0.035 0.000 0.214 160 L C -0.780 176.133 176.870 0.072 0.000 1.115 160 L CA 1.169 56.035 54.840 0.043 0.000 0.820 160 L CB 0.833 42.917 42.059 0.043 0.000 0.944 160 L HN -0.658 7.421 8.230 0.017 0.162 0.452 161 I N -0.911 119.717 120.570 0.097 0.000 2.278 161 I HA -0.160 4.092 4.170 0.137 0.000 0.296 161 I C -0.499 175.723 176.117 0.174 0.000 1.121 161 I CA 0.306 61.700 61.300 0.155 0.000 1.267 161 I CB -1.028 37.111 38.000 0.231 0.000 1.447 161 I HN -0.935 7.164 8.210 0.076 0.157 0.509 162 Q N 5.254 125.130 119.800 0.127 0.000 2.237 162 Q HA 0.040 4.443 4.340 0.105 0.000 0.252 162 Q C -0.442 175.612 176.000 0.089 0.000 0.877 162 Q CA -0.697 55.164 55.803 0.098 0.000 1.011 162 Q CB 0.093 28.866 28.738 0.058 0.000 1.118 162 Q HN 0.059 8.393 8.270 0.107 0.000 0.458 163 L N 0.141 121.461 121.223 0.160 0.000 2.375 163 L HA 0.013 4.398 4.340 0.075 0.000 0.271 163 L C -0.448 176.424 176.870 0.003 0.000 1.107 163 L CA -0.078 54.851 54.840 0.149 0.000 0.806 163 L CB 0.857 43.054 42.059 0.230 0.000 1.146 163 L HN -0.433 7.849 8.230 0.237 0.091 0.447 164 D N 0.223 120.572 120.400 -0.086 0.000 2.283 164 D HA -0.001 4.383 4.640 -0.425 0.000 0.248 164 D C -0.559 175.589 176.300 -0.252 0.000 1.072 164 D CA -0.570 53.273 54.000 -0.261 0.000 0.929 164 D CB 1.508 42.234 40.800 -0.123 0.000 1.182 164 D HN -0.057 8.305 8.370 -0.014 0.000 0.433 165 C N 1.698 120.775 119.300 -0.372 0.000 2.677 165 C HA -0.140 4.455 4.460 0.225 0.000 0.398 165 C C 0.674 175.662 174.990 -0.003 0.000 1.378 165 C CA 0.455 59.433 59.018 -0.066 0.000 1.543 165 C CB -1.587 26.110 27.740 -0.073 0.000 2.356 165 C HN 0.330 8.302 8.230 -0.431 0.000 0.609 166 R N 0.000 120.527 120.500 0.045 0.000 0.000 166 R HA 0.000 4.336 4.340 -0.006 0.000 0.000 166 R CA 0.000 56.100 56.100 -0.000 0.000 0.000 166 R CB 0.000 30.292 30.300 -0.013 0.000 0.000 166 R HN 0.000 8.342 8.270 0.120 0.000 0.000