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 1srz_1_A DATA FIRST_RESID 92 DATA SEQUENCE EAEFVRIcSK SYLTLENGKV FLTGGDLPAL DGARVEFRcD PDFHLVGSSR DATA SEQUENCE SVcSQGQWST PKPHcQVN 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 92 E HA 0.000 4.350 4.350 0.000 0.000 0.291 92 E C 0.000 176.599 176.600 -0.002 0.000 1.382 92 E CA 0.000 56.397 56.400 -0.004 0.000 0.976 92 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 93 A N 0.181 122.999 122.820 -0.003 0.000 5.585 93 A HA -0.261 4.059 4.320 -0.002 0.000 0.295 93 A C -1.180 176.417 177.584 0.023 0.000 1.985 93 A CA 1.234 53.271 52.037 0.001 0.000 0.716 93 A CB -0.734 18.256 19.000 -0.015 0.000 1.237 93 A HN 0.225 8.372 8.150 -0.006 0.000 0.371 94 E N -0.271 119.955 120.200 0.043 0.000 2.537 94 E HA -0.002 4.398 4.350 0.083 0.000 0.301 94 E C -1.116 175.594 176.600 0.183 0.000 0.990 94 E CA -0.465 55.990 56.400 0.091 0.000 0.828 94 E CB 1.242 30.989 29.700 0.079 0.000 1.243 94 E HN -0.003 8.375 8.360 0.029 0.000 0.414 95 F N 3.368 123.312 119.950 -0.010 0.000 2.192 95 F HA -0.344 4.179 4.527 -0.007 0.000 0.317 95 F C -1.522 174.270 175.800 -0.015 0.000 1.454 95 F CA 1.283 59.278 58.000 -0.008 0.000 0.932 95 F CB -0.501 38.497 39.000 -0.003 0.000 4.108 95 F HN -0.197 8.235 8.300 0.220 0.000 0.138 96 V N 2.759 122.343 119.914 -0.551 0.000 2.521 96 V HA -0.045 3.794 4.120 -0.469 0.000 0.286 96 V C 0.666 176.645 176.094 -0.191 0.000 1.034 96 V CA 0.457 62.473 62.300 -0.474 0.000 1.045 96 V CB 0.176 31.676 31.823 -0.539 0.000 0.974 96 V HN -0.002 7.740 8.190 -0.748 0.000 0.480 97 R N 6.970 127.372 120.500 -0.163 0.000 4.464 97 R HA -0.049 4.232 4.340 -0.097 0.000 0.229 97 R C -1.870 174.343 176.300 -0.145 0.000 1.916 97 R CA -0.165 55.862 56.100 -0.121 0.000 1.601 97 R CB -2.136 28.104 30.300 -0.101 0.000 1.315 97 R HN 0.431 8.592 8.270 -0.183 0.000 0.725 98 I N -0.850 119.624 120.570 -0.160 0.000 2.752 98 I HA 0.206 4.233 4.170 -0.238 0.000 0.295 98 I C -0.463 175.511 176.117 -0.239 0.000 1.219 98 I CA -2.804 58.374 61.300 -0.203 0.000 1.030 98 I CB 4.342 42.245 38.000 -0.162 0.000 1.259 98 I HN -0.420 7.596 8.210 -0.143 0.108 0.423 99 c N 3.685 122.008 118.600 -0.462 0.000 2.665 99 c HA 0.011 4.494 4.570 -0.462 -0.190 0.416 99 c C 0.885 174.871 174.090 -0.172 0.000 1.305 99 c CA -1.493 54.426 56.329 -0.682 0.000 1.903 99 c CB -0.658 40.705 42.510 -1.913 0.000 2.704 99 c HN 0.120 8.023 8.230 -0.544 0.000 0.629 100 S N 1.848 117.666 115.700 0.197 0.000 3.225 100 S HA -0.259 4.370 4.470 0.264 0.000 0.378 100 S C 1.681 176.623 174.600 0.570 0.000 1.190 100 S CA 1.173 59.628 58.200 0.424 0.000 1.104 100 S CB 0.374 63.858 63.200 0.473 0.000 0.795 100 S HN 0.307 8.664 8.310 0.079 0.000 0.517 101 K N 7.973 128.577 120.400 0.341 0.000 2.442 101 K HA -0.238 4.318 4.320 0.394 0.000 0.198 101 K C 1.336 178.097 176.600 0.269 0.000 1.042 101 K CA 2.106 58.574 56.287 0.301 0.000 0.958 101 K CB -0.640 31.959 32.500 0.164 0.000 0.766 101 K HN 0.607 9.001 8.250 0.240 0.000 0.474 102 S N 1.149 117.023 115.700 0.290 0.000 2.387 102 S HA -0.305 4.247 4.470 0.137 0.000 0.230 102 S C 2.112 176.819 174.600 0.177 0.000 1.035 102 S CA 3.166 61.493 58.200 0.213 0.000 1.014 102 S CB -0.201 63.128 63.200 0.215 0.000 0.836 102 S HN -0.537 7.904 8.310 0.324 0.063 0.466 103 Y N -0.988 119.256 120.300 -0.092 0.000 2.193 103 Y HA -0.276 4.178 4.550 -0.160 0.000 0.285 103 Y C 1.301 177.059 175.900 -0.237 0.000 1.166 103 Y CA 2.635 60.569 58.100 -0.277 0.000 1.181 103 Y CB -0.640 37.287 38.460 -0.889 0.000 0.976 103 Y HN -0.775 7.871 8.280 0.630 0.012 0.520 104 L N -5.120 116.116 121.223 0.022 0.000 2.013 104 L HA -0.284 3.994 4.340 -0.104 0.000 0.212 104 L C 0.629 177.464 176.870 -0.059 0.000 1.073 104 L CA 1.615 56.436 54.840 -0.032 0.000 0.753 104 L CB -0.084 41.999 42.059 0.040 0.000 0.890 104 L HN -0.660 7.533 8.230 0.135 0.118 0.432 105 T N -2.514 112.027 114.554 -0.022 0.000 2.806 105 T HA 0.026 4.346 4.350 -0.050 0.000 0.290 105 T C -1.885 172.789 174.700 -0.045 0.000 0.966 105 T CA -0.339 61.740 62.100 -0.034 0.000 1.060 105 T CB 0.883 69.742 68.868 -0.014 0.000 0.927 105 T HN -0.718 7.528 8.240 0.015 0.003 0.485 106 L N 6.296 127.487 121.223 -0.053 0.000 2.493 106 L HA 0.468 4.775 4.340 -0.056 0.000 0.265 106 L C -2.213 174.617 176.870 -0.068 0.000 0.954 106 L CA -0.835 53.974 54.840 -0.053 0.000 0.844 106 L CB 4.253 46.297 42.059 -0.025 0.000 1.302 106 L HN 0.358 8.554 8.230 -0.057 0.000 0.405 107 E N 5.805 125.956 120.200 -0.082 0.000 2.417 107 E HA -0.121 4.171 4.350 -0.096 0.000 0.261 107 E C -0.386 176.113 176.600 -0.167 0.000 1.000 107 E CA 0.891 57.224 56.400 -0.112 0.000 0.919 107 E CB 0.218 29.850 29.700 -0.112 0.000 0.955 107 E HN 0.288 8.603 8.360 -0.075 0.000 0.455 108 N N 0.128 118.723 118.700 -0.176 0.000 2.738 108 N HA -0.331 4.310 4.740 -0.165 0.000 0.249 108 N C -1.516 173.904 175.510 -0.150 0.000 1.047 108 N CA 1.090 54.004 53.050 -0.227 0.000 0.707 108 N CB -0.564 37.616 38.487 -0.511 0.000 0.937 108 N HN 0.394 8.692 8.380 -0.136 0.000 0.545 109 G N -4.854 103.897 108.800 -0.081 0.000 2.579 109 G HA2 0.323 4.444 3.960 0.004 0.000 0.292 109 G HA3 0.323 4.276 3.960 -0.013 0.000 0.292 109 G C -3.117 171.768 174.900 -0.026 0.000 1.484 109 G CA 0.516 45.601 45.100 -0.025 0.000 0.813 109 G HN -0.663 7.578 8.290 -0.082 0.000 0.515 110 K N -0.019 120.383 120.400 0.002 0.000 2.427 110 K HA 0.442 4.700 4.320 -0.103 0.000 0.252 110 K C -1.789 174.778 176.600 -0.055 0.000 0.931 110 K CA -1.149 55.094 56.287 -0.074 0.000 0.793 110 K CB 4.120 36.532 32.500 -0.146 0.000 1.211 110 K HN 0.111 8.399 8.250 0.064 0.000 0.426 111 V N 1.417 121.229 119.914 -0.170 0.000 2.435 111 V HA 0.167 4.355 4.120 -0.098 -0.127 0.290 111 V C -0.209 175.782 176.094 -0.172 0.000 1.030 111 V CA -0.861 61.324 62.300 -0.191 0.000 0.881 111 V CB 1.344 32.940 31.823 -0.379 0.000 0.983 111 V HN 0.371 8.446 8.190 -0.191 0.000 0.445 112 F N 6.614 126.465 119.950 -0.165 0.000 2.573 112 F HA 0.082 4.573 4.527 -0.060 0.000 0.349 112 F C -0.145 175.620 175.800 -0.058 0.000 1.213 112 F CA -1.686 56.266 58.000 -0.080 0.000 1.300 112 F CB -2.060 36.914 39.000 -0.044 0.000 1.661 112 F HN -0.030 8.509 8.300 0.397 0.000 0.616 113 L N -1.196 120.057 121.223 0.051 0.000 2.482 113 L HA 0.177 4.589 4.340 0.119 0.000 0.273 113 L C -0.310 176.613 176.870 0.089 0.000 1.228 113 L CA 0.283 55.173 54.840 0.085 0.000 0.827 113 L CB 0.178 42.285 42.059 0.081 0.000 1.099 113 L HN -0.662 7.510 8.230 -0.028 0.041 0.494 114 T N 0.919 115.527 114.554 0.090 0.000 3.751 114 T HA 0.036 4.416 4.350 0.051 0.000 0.240 114 T C -0.423 174.300 174.700 0.038 0.000 1.004 114 T CA 0.107 62.245 62.100 0.063 0.000 1.645 114 T CB 0.526 69.438 68.868 0.072 0.000 0.763 114 T HN -0.154 8.153 8.240 0.112 0.000 0.625 115 G N 0.702 109.513 108.800 0.018 0.000 3.355 115 G HA2 -0.020 3.932 3.960 -0.014 0.000 0.198 115 G HA3 -0.020 3.921 3.960 -0.032 0.000 0.198 115 G C -0.684 174.201 174.900 -0.025 0.000 1.540 115 G CA 0.285 45.377 45.100 -0.014 0.000 0.796 115 G HN -0.070 8.234 8.290 0.023 0.000 0.900 116 G N 1.541 110.330 108.800 -0.018 0.000 2.669 116 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.250 116 G HA3 -0.271 3.674 3.960 -0.025 0.000 0.250 116 G C -1.642 173.231 174.900 -0.044 0.000 1.247 116 G CA 0.182 45.267 45.100 -0.024 0.000 0.958 116 G HN -0.169 8.119 8.290 -0.003 0.000 0.559 117 D N 1.324 121.693 120.400 -0.052 0.000 2.997 117 D HA 0.131 4.719 4.640 -0.085 0.000 0.362 117 D C -1.139 175.118 176.300 -0.072 0.000 1.298 117 D CA -1.060 52.898 54.000 -0.070 0.000 0.756 117 D CB 0.207 40.969 40.800 -0.063 0.000 1.216 117 D HN -0.003 8.340 8.370 -0.045 0.000 0.496 118 L N 0.721 121.900 121.223 -0.073 0.000 2.421 118 L HA 0.172 4.477 4.340 -0.058 0.000 0.263 118 L C -1.948 174.875 176.870 -0.078 0.000 1.122 118 L CA -2.434 52.366 54.840 -0.066 0.000 0.804 118 L CB -0.006 42.019 42.059 -0.057 0.000 1.150 118 L HN -0.442 7.742 8.230 -0.077 0.000 0.457 119 P HA -0.239 4.139 4.420 -0.071 0.000 0.253 119 P C -0.197 177.056 177.300 -0.079 0.000 1.159 119 P CA 1.173 64.232 63.100 -0.068 0.000 0.779 119 P CB -0.578 31.091 31.700 -0.052 0.000 0.745 120 A N 4.382 127.145 122.820 -0.094 0.000 3.870 120 A HA -0.441 3.842 4.320 -0.117 -0.034 0.246 120 A C -0.529 176.967 177.584 -0.148 0.000 0.669 120 A CA 1.881 53.851 52.037 -0.111 0.000 1.221 120 A CB -1.017 17.931 19.000 -0.086 0.000 1.199 120 A HN 0.392 8.485 8.150 -0.096 0.000 0.685 121 L N -3.121 118.024 121.223 -0.129 0.000 3.608 121 L HA -0.319 3.954 4.340 -0.112 0.000 0.422 121 L C -1.238 175.543 176.870 -0.147 0.000 1.260 121 L CA 0.115 54.868 54.840 -0.146 0.000 0.889 121 L CB -1.037 40.899 42.059 -0.205 0.000 1.821 121 L HN -0.145 7.873 8.230 -0.103 0.151 0.884 122 D N 1.182 121.519 120.400 -0.106 0.000 2.885 122 D HA -0.009 4.680 4.640 -0.105 -0.112 0.234 122 D C 0.064 176.328 176.300 -0.060 0.000 1.129 122 D CA 0.145 54.093 54.000 -0.086 0.000 0.991 122 D CB -1.169 39.592 40.800 -0.064 0.000 1.137 122 D HN 0.040 8.355 8.370 -0.091 0.000 0.459 123 G N -0.466 108.296 108.800 -0.064 0.000 4.195 123 G HA2 -0.056 3.892 3.960 -0.020 0.000 0.150 123 G HA3 -0.056 3.886 3.960 -0.030 0.000 0.150 123 G C -1.129 173.759 174.900 -0.021 0.000 1.058 123 G CA 0.701 45.782 45.100 -0.033 0.000 0.859 123 G HN -0.267 7.889 8.290 -0.092 0.078 0.547 124 A N 2.234 125.027 122.820 -0.045 0.000 2.586 124 A HA -0.062 4.534 4.320 0.003 -0.274 0.231 124 A C -0.780 176.832 177.584 0.047 0.000 1.055 124 A CA 0.622 52.650 52.037 -0.016 0.000 0.756 124 A CB 0.743 19.701 19.000 -0.070 0.000 0.988 124 A HN -0.686 7.416 8.150 -0.080 0.000 0.509 125 R N 0.314 120.872 120.500 0.097 0.000 2.538 125 R HA 0.392 4.847 4.340 0.192 0.000 0.292 125 R C -1.565 174.842 176.300 0.177 0.000 1.008 125 R CA -0.933 55.257 56.100 0.149 0.000 0.896 125 R CB 3.125 33.488 30.300 0.105 0.000 1.187 125 R HN -0.284 7.935 8.270 0.083 0.101 0.440 126 V N -1.265 118.789 119.914 0.234 0.000 2.495 126 V HA 0.680 5.114 4.120 0.112 -0.246 0.298 126 V C -1.191 174.952 176.094 0.080 0.000 1.031 126 V CA -2.994 59.376 62.300 0.116 0.000 0.871 126 V CB 2.499 34.317 31.823 -0.009 0.000 0.988 126 V HN 0.201 8.580 8.190 0.315 0.000 0.432 127 E N 5.819 126.058 120.200 0.064 0.000 2.055 127 E HA 0.360 4.819 4.350 0.181 0.000 0.274 127 E C -0.333 176.320 176.600 0.088 0.000 0.949 127 E CA -1.502 54.945 56.400 0.078 0.000 0.775 127 E CB 1.212 30.861 29.700 -0.085 0.000 1.097 127 E HN -0.309 8.020 8.360 0.121 0.103 0.404 128 F N 5.732 125.725 119.950 0.072 0.000 2.418 128 F HA -0.069 4.533 4.527 0.125 0.000 0.341 128 F C 0.083 175.919 175.800 0.059 0.000 1.120 128 F CA 1.292 59.336 58.000 0.073 0.000 1.232 128 F CB 0.758 39.761 39.000 0.006 0.000 1.175 128 F HN 0.345 8.953 8.300 0.666 0.091 0.569 129 R N 1.702 122.360 120.500 0.263 0.000 2.560 129 R HA 0.196 4.618 4.340 0.136 0.000 0.267 129 R C -2.500 173.894 176.300 0.157 0.000 1.150 129 R CA -0.610 55.600 56.100 0.184 0.000 0.997 129 R CB 2.252 32.669 30.300 0.195 0.000 1.250 129 R HN -0.043 8.385 8.270 0.262 0.000 0.433 130 c N 5.299 123.967 118.600 0.114 0.000 2.466 130 c HA 0.100 4.707 4.570 0.061 0.000 0.379 130 c C -0.050 174.105 174.090 0.109 0.000 1.251 130 c CA -0.881 55.502 56.329 0.090 0.000 2.263 130 c CB 0.304 42.870 42.510 0.092 0.000 2.511 130 c HN 0.384 8.677 8.230 0.105 0.000 0.573 131 D N 3.346 123.796 120.400 0.085 0.000 2.370 131 D HA -0.061 4.631 4.640 0.087 0.000 0.235 131 D C -0.870 175.517 176.300 0.144 0.000 1.228 131 D CA 0.778 54.837 54.000 0.097 0.000 0.884 131 D CB 0.019 40.858 40.800 0.064 0.000 1.201 131 D HN -0.260 8.131 8.370 0.035 0.000 0.456 132 P HA -0.065 4.415 4.420 0.099 0.000 0.237 132 P C -1.966 175.409 177.300 0.125 0.000 1.701 132 P CA 1.132 64.296 63.100 0.106 0.000 0.955 132 P CB -1.510 30.234 31.700 0.074 0.000 1.937 133 D N -3.263 117.255 120.400 0.196 0.000 1.847 133 D HA 0.074 4.754 4.640 0.068 0.000 0.433 133 D C -1.353 175.025 176.300 0.130 0.000 1.046 133 D CA 1.282 55.392 54.000 0.182 0.000 1.009 133 D CB 2.744 43.739 40.800 0.325 0.000 1.834 133 D HN 0.476 8.904 8.370 0.236 0.084 0.542 134 F N -1.305 118.686 119.950 0.070 0.000 2.443 134 F HA 0.334 5.045 4.527 0.157 -0.089 0.335 134 F C -0.390 175.475 175.800 0.107 0.000 1.104 134 F CA -1.427 56.626 58.000 0.089 0.000 1.013 134 F CB 2.171 41.180 39.000 0.015 0.000 1.136 134 F HN -0.772 7.893 8.300 0.608 0.000 0.470 135 H N 1.039 120.170 119.070 0.101 0.000 2.488 135 H HA 0.296 4.883 4.556 0.053 0.000 0.322 135 H C -1.372 173.959 175.328 0.005 0.000 1.078 135 H CA -1.945 54.127 56.048 0.040 0.000 1.260 135 H CB 1.141 30.901 29.762 -0.004 0.000 1.425 135 H HN 0.744 9.313 8.280 0.481 0.000 0.471 136 L N 4.953 126.156 121.223 -0.033 0.000 2.455 136 L HA -0.149 4.071 4.340 -0.200 0.000 0.272 136 L C -0.823 175.937 176.870 -0.184 0.000 1.174 136 L CA 0.847 55.610 54.840 -0.128 0.000 0.869 136 L CB 0.382 42.423 42.059 -0.031 0.000 1.130 136 L HN 0.678 8.945 8.230 0.061 0.000 0.474 137 V N 7.155 126.876 119.914 -0.322 0.000 2.405 137 V HA 0.042 4.081 4.120 -0.135 0.000 0.253 137 V C -1.368 174.597 176.094 -0.215 0.000 0.963 137 V CA -0.399 61.747 62.300 -0.257 0.000 1.003 137 V CB -0.220 31.416 31.823 -0.311 0.000 1.251 137 V HN -0.230 7.695 8.190 -0.442 0.000 0.520 138 G N 3.362 112.074 108.800 -0.147 0.000 2.565 138 G HA2 0.071 4.002 3.960 -0.049 0.000 0.142 138 G HA3 0.071 3.980 3.960 -0.085 0.000 0.142 138 G C -0.821 174.003 174.900 -0.127 0.000 1.181 138 G CA 0.556 45.597 45.100 -0.099 0.000 1.066 138 G HN -0.539 7.670 8.290 -0.135 0.000 0.530 139 S N 2.392 117.977 115.700 -0.191 0.000 4.053 139 S HA -0.113 4.277 4.470 -0.133 0.000 0.184 139 S C 0.765 175.126 174.600 -0.397 0.000 1.324 139 S CA -0.187 57.867 58.200 -0.245 0.000 0.956 139 S CB -2.084 60.955 63.200 -0.269 0.000 1.503 139 S HN 0.327 8.526 8.310 -0.185 0.000 0.440 140 S N -1.013 114.574 115.700 -0.188 0.000 2.528 140 S HA -0.323 4.111 4.470 -0.061 0.000 0.244 140 S C -0.598 174.111 174.600 0.180 0.000 0.982 140 S CA 1.862 60.038 58.200 -0.040 0.000 0.953 140 S CB 0.312 63.522 63.200 0.016 0.000 0.754 140 S HN 0.149 8.312 8.310 -0.123 0.073 0.529 141 R N -0.034 120.530 120.500 0.107 0.000 2.564 141 R HA 0.514 5.283 4.340 0.454 -0.157 0.284 141 R C -1.622 174.832 176.300 0.257 0.000 1.031 141 R CA -0.871 55.388 56.100 0.264 0.000 0.904 141 R CB 3.337 33.727 30.300 0.150 0.000 1.199 141 R HN -0.759 7.386 8.270 -0.036 0.103 0.443 142 S N 6.074 122.045 115.700 0.451 0.000 2.720 142 S HA 0.198 4.848 4.470 0.300 0.000 0.278 142 S C -2.238 172.634 174.600 0.453 0.000 1.172 142 S CA -1.028 57.438 58.200 0.443 0.000 1.019 142 S CB 2.326 65.880 63.200 0.590 0.000 1.049 142 S HN 0.214 8.839 8.310 0.525 0.000 0.483 143 V N 8.003 128.101 119.914 0.307 0.000 2.383 143 V HA 0.148 4.506 4.120 0.234 -0.098 0.275 143 V C -1.178 175.006 176.094 0.150 0.000 1.036 143 V CA -1.569 60.860 62.300 0.215 0.000 0.889 143 V CB 1.076 32.972 31.823 0.121 0.000 0.985 143 V HN 0.180 8.519 8.190 0.248 0.000 0.459 144 c N 9.703 128.323 118.600 0.032 0.000 2.653 144 c HA -0.117 4.215 4.570 -0.397 0.000 0.421 144 c C -1.560 172.412 174.090 -0.196 0.000 1.334 144 c CA 0.256 56.406 56.329 -0.298 0.000 1.885 144 c CB -1.337 40.807 42.510 -0.611 0.000 2.645 144 c HN 0.243 8.433 8.230 0.088 0.093 0.601 145 S N 6.533 122.102 115.700 -0.218 0.000 2.563 145 S HA 0.214 4.605 4.470 -0.131 0.000 0.279 145 S C -0.971 173.547 174.600 -0.137 0.000 1.155 145 S CA 0.090 58.208 58.200 -0.135 0.000 0.928 145 S CB 2.900 66.061 63.200 -0.065 0.000 1.107 145 S HN 0.301 8.323 8.310 -0.298 0.109 0.462 146 Q N 3.438 123.168 119.800 -0.116 0.000 2.468 146 Q HA -0.393 3.896 4.340 -0.084 0.000 0.289 146 Q C 0.648 176.574 176.000 -0.123 0.000 1.299 146 Q CA 1.030 56.776 55.803 -0.096 0.000 0.838 146 Q CB -2.766 25.935 28.738 -0.062 0.000 1.195 146 Q HN 0.822 9.027 8.270 -0.108 0.000 0.456 147 G N -5.373 103.318 108.800 -0.182 0.000 2.187 147 G HA2 -0.456 3.467 3.960 -0.266 0.000 0.261 147 G HA3 -0.456 3.415 3.960 -0.148 0.000 0.261 147 G C -1.596 173.146 174.900 -0.263 0.000 1.000 147 G CA 0.519 45.489 45.100 -0.216 0.000 0.718 147 G HN 0.276 8.356 8.290 -0.195 0.093 0.519 148 Q N -1.585 118.036 119.800 -0.298 0.000 2.309 148 Q HA 0.333 4.481 4.340 -0.319 0.000 0.273 148 Q C -1.785 174.037 176.000 -0.298 0.000 1.040 148 Q CA -2.038 53.605 55.803 -0.267 0.000 0.834 148 Q CB 3.331 32.022 28.738 -0.079 0.000 1.345 148 Q HN -0.401 7.525 8.270 -0.273 0.180 0.414 149 W N 4.160 125.369 121.300 -0.153 0.000 2.216 149 W HA -0.005 4.601 4.660 -0.091 0.000 0.326 149 W C 0.300 176.808 176.519 -0.019 0.000 1.319 149 W CA 0.666 57.935 57.345 -0.126 0.000 1.213 149 W CB 0.174 29.457 29.460 -0.296 0.000 1.171 149 W HN 0.409 8.499 8.180 -0.150 0.000 0.557 150 S N 3.159 118.998 115.700 0.232 0.000 2.351 150 S HA -0.201 4.333 4.470 0.108 0.000 0.220 150 S C 0.762 175.464 174.600 0.171 0.000 1.035 150 S CA 2.731 61.025 58.200 0.157 0.000 1.031 150 S CB 0.487 63.766 63.200 0.131 0.000 0.928 150 S HN 0.111 8.574 8.310 0.254 0.000 0.433 151 T N 2.718 117.396 114.554 0.206 0.000 2.859 151 T HA 0.481 4.904 4.350 0.122 0.000 0.281 151 T C -2.467 172.359 174.700 0.209 0.000 1.005 151 T CA -3.002 59.190 62.100 0.152 0.000 1.025 151 T CB 0.796 69.710 68.868 0.078 0.000 0.977 151 T HN -0.640 7.752 8.240 0.253 0.000 0.458 152 P HA -0.017 4.615 4.420 0.353 0.000 0.269 152 P C -0.797 176.476 177.300 -0.045 0.000 1.209 152 P CA -0.681 62.513 63.100 0.157 0.000 0.776 152 P CB 0.736 32.476 31.700 0.067 0.000 0.876 153 K N 3.033 123.256 120.400 -0.294 0.000 2.524 153 K HA -0.188 3.704 4.320 -0.714 0.000 0.279 153 K C -0.782 175.586 176.600 -0.387 0.000 0.993 153 K CA -0.360 55.543 56.287 -0.640 0.000 1.030 153 K CB -0.007 31.868 32.500 -1.042 0.000 0.891 153 K HN -0.233 7.850 8.250 -0.278 0.000 0.488 154 P HA 0.176 4.560 4.420 -0.060 0.000 0.344 154 P C -2.250 175.046 177.300 -0.007 0.000 1.321 154 P CA -0.300 62.693 63.100 -0.179 0.000 0.773 154 P CB 1.007 32.524 31.700 -0.305 0.000 1.723 155 H N -5.154 113.817 119.070 -0.164 0.000 3.046 155 H HA 0.229 4.717 4.556 -0.113 0.000 0.361 155 H C -1.534 173.740 175.328 -0.089 0.000 1.235 155 H CA -0.748 55.232 56.048 -0.115 0.000 1.146 155 H CB 1.782 31.486 29.762 -0.096 0.000 1.859 155 H HN -0.012 8.217 8.280 -0.085 0.000 0.548 156 c N 1.539 120.078 118.600 -0.101 0.000 2.307 156 c HA 0.217 4.668 4.570 -0.198 0.000 0.340 156 c C -0.665 173.431 174.090 0.011 0.000 1.275 156 c CA -0.108 56.161 56.329 -0.100 0.000 1.811 156 c CB -0.938 41.546 42.510 -0.043 0.000 2.372 156 c HN 0.574 8.797 8.230 -0.011 0.000 0.531 157 Q N 4.566 124.283 119.800 -0.137 0.000 2.282 157 Q HA 0.265 4.668 4.340 0.104 0.000 0.260 157 Q C -1.408 174.593 176.000 0.003 0.000 0.964 157 Q CA -1.223 54.528 55.803 -0.086 0.000 0.880 157 Q CB 3.381 31.915 28.738 -0.341 0.000 1.286 157 Q HN 0.056 8.120 8.270 -0.345 0.000 0.445 158 V N 4.493 124.380 119.914 -0.045 0.000 2.740 158 V HA -0.235 3.157 4.120 -1.214 0.000 0.303 158 V C -1.076 174.944 176.094 -0.124 0.000 1.054 158 V CA 0.587 62.566 62.300 -0.535 0.000 1.106 158 V CB 0.694 32.165 31.823 -0.587 0.000 0.957 158 V HN 0.300 8.533 8.190 0.073 0.000 0.486 159 N N 0.000 118.595 118.700 -0.174 0.000 0.000 159 N HA 0.000 4.646 4.740 -0.156 0.000 0.000 159 N CA 0.000 52.972 53.050 -0.130 0.000 0.000 159 N CB 0.000 38.387 38.487 -0.167 0.000 0.000 159 N HN 0.000 8.162 8.380 -0.363 0.000 0.000