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 1ss2_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 4.352 4.350 0.003 0.000 0.291 92 E C 0.000 176.600 176.600 -0.001 0.000 1.382 92 E CA 0.000 56.405 56.400 0.008 0.000 0.976 92 E CB 0.000 29.709 29.700 0.015 0.000 0.812 93 A N 1.486 124.311 122.820 0.008 0.000 3.009 93 A HA 0.017 4.313 4.320 -0.041 0.000 0.198 93 A C -1.560 176.027 177.584 0.005 0.000 1.289 93 A CA -0.137 51.885 52.037 -0.024 0.000 1.343 93 A CB -0.052 18.917 19.000 -0.051 0.000 1.180 93 A HN -0.324 7.843 8.150 0.030 0.000 0.689 94 E N 0.299 120.536 120.200 0.062 0.000 2.414 94 E HA -0.098 4.415 4.350 0.271 0.000 0.263 94 E C -0.551 176.151 176.600 0.169 0.000 1.000 94 E CA -0.178 56.318 56.400 0.160 0.000 0.914 94 E CB 0.436 30.199 29.700 0.104 0.000 0.948 94 E HN -0.288 8.097 8.360 0.041 0.000 0.444 95 F N 1.931 121.876 119.950 -0.007 0.000 2.578 95 F HA -0.129 4.394 4.527 -0.008 0.000 0.376 95 F C 0.424 176.217 175.800 -0.012 0.000 1.085 95 F CA -0.571 57.424 58.000 -0.008 0.000 1.260 95 F CB 0.554 39.551 39.000 -0.005 0.000 1.095 95 F HN -0.090 8.721 8.300 0.851 0.000 0.573 96 V N -0.603 119.374 119.914 0.105 0.000 2.617 96 V HA -0.053 4.087 4.120 0.035 0.000 0.304 96 V C 0.504 176.635 176.094 0.062 0.000 1.040 96 V CA 0.182 62.512 62.300 0.051 0.000 1.149 96 V CB 0.516 32.342 31.823 0.005 0.000 0.914 96 V HN -0.215 7.999 8.190 0.039 0.000 0.487 97 R N 7.639 128.156 120.500 0.028 0.000 4.860 97 R HA -0.011 4.348 4.340 0.031 0.000 0.191 97 R C -0.690 175.598 176.300 -0.022 0.000 1.936 97 R CA -1.266 54.841 56.100 0.011 0.000 1.609 97 R CB -2.771 27.527 30.300 -0.003 0.000 1.392 97 R HN 0.480 8.759 8.270 0.015 0.000 0.844 98 I N -2.847 117.717 120.570 -0.009 0.000 2.880 98 I HA -0.235 3.886 4.170 -0.082 0.000 0.296 98 I C 0.212 176.294 176.117 -0.060 0.000 1.220 98 I CA -0.416 60.859 61.300 -0.041 0.000 1.435 98 I CB -0.482 37.518 38.000 0.001 0.000 1.339 98 I HN -0.421 7.720 8.210 0.022 0.082 0.583 99 c N 6.546 125.040 118.600 -0.178 0.000 2.741 99 c HA -0.121 4.325 4.570 -0.206 0.000 0.403 99 c C 0.030 174.204 174.090 0.141 0.000 1.282 99 c CA 0.438 56.622 56.329 -0.242 0.000 2.053 99 c CB -0.825 41.074 42.510 -1.018 0.000 2.731 99 c HN 0.258 8.339 8.230 -0.248 0.000 0.680 100 S N -0.042 115.855 115.700 0.328 0.000 2.626 100 S HA -0.225 4.349 4.470 0.173 0.000 0.303 100 S C 1.084 175.901 174.600 0.361 0.000 1.256 100 S CA 1.273 59.642 58.200 0.281 0.000 1.069 100 S CB 0.432 63.687 63.200 0.092 0.000 0.807 100 S HN 0.048 8.502 8.310 0.240 0.000 0.500 101 K N 6.297 126.833 120.400 0.227 0.000 2.305 101 K HA -0.217 4.268 4.320 0.276 0.000 0.199 101 K C 1.683 178.376 176.600 0.156 0.000 1.047 101 K CA 2.959 59.367 56.287 0.203 0.000 0.976 101 K CB -0.284 32.298 32.500 0.135 0.000 0.765 101 K HN 0.541 8.893 8.250 0.171 0.000 0.474 102 S N 0.553 116.350 115.700 0.162 0.000 2.374 102 S HA -0.283 4.241 4.470 0.091 0.000 0.227 102 S C 1.556 176.243 174.600 0.144 0.000 1.037 102 S CA 2.950 61.237 58.200 0.146 0.000 1.024 102 S CB -0.761 62.542 63.200 0.172 0.000 0.861 102 S HN 0.114 8.490 8.310 0.169 0.035 0.456 103 Y N 0.568 120.757 120.300 -0.186 0.000 2.241 103 Y HA -0.236 4.206 4.550 -0.180 0.000 0.286 103 Y C 1.764 177.507 175.900 -0.261 0.000 1.166 103 Y CA 1.427 59.336 58.100 -0.318 0.000 1.203 103 Y CB -0.707 37.202 38.460 -0.918 0.000 0.977 103 Y HN -0.438 8.061 8.280 0.382 0.010 0.529 104 L N -3.026 118.187 121.223 -0.017 0.000 2.043 104 L HA -0.344 3.949 4.340 -0.079 0.000 0.212 104 L C 0.447 177.255 176.870 -0.103 0.000 1.075 104 L CA 2.229 57.041 54.840 -0.048 0.000 0.752 104 L CB -0.272 41.803 42.059 0.027 0.000 0.891 104 L HN -0.560 7.561 8.230 0.055 0.142 0.432 105 T N -2.469 112.045 114.554 -0.067 0.000 2.875 105 T HA 0.086 4.380 4.350 -0.093 0.000 0.284 105 T C -1.853 172.790 174.700 -0.095 0.000 0.995 105 T CA -0.310 61.743 62.100 -0.078 0.000 1.060 105 T CB 1.340 70.182 68.868 -0.043 0.000 0.967 105 T HN -0.570 7.647 8.240 -0.026 0.007 0.476 106 L N 3.536 124.697 121.223 -0.103 0.000 2.505 106 L HA 0.305 4.602 4.340 -0.071 0.000 0.266 106 L C -1.618 175.204 176.870 -0.080 0.000 0.954 106 L CA -0.746 54.041 54.840 -0.087 0.000 0.852 106 L CB 3.486 45.482 42.059 -0.104 0.000 1.282 106 L HN 0.171 8.340 8.230 -0.101 0.000 0.403 107 E N 5.944 126.099 120.200 -0.075 0.000 2.373 107 E HA -0.006 4.290 4.350 -0.090 0.000 0.267 107 E C -0.371 176.146 176.600 -0.139 0.000 1.032 107 E CA 0.422 56.766 56.400 -0.094 0.000 0.889 107 E CB 0.390 30.041 29.700 -0.082 0.000 0.984 107 E HN 0.218 8.539 8.360 -0.065 0.000 0.425 108 N N -3.192 115.398 118.700 -0.183 0.000 2.725 108 N HA -0.324 4.244 4.740 -0.287 0.000 0.249 108 N C -1.125 174.253 175.510 -0.220 0.000 1.103 108 N CA 1.045 53.915 53.050 -0.300 0.000 0.707 108 N CB -0.496 37.659 38.487 -0.554 0.000 1.043 108 N HN 0.427 8.716 8.380 -0.151 0.000 0.553 109 G N -3.642 105.085 108.800 -0.122 0.000 2.427 109 G HA2 0.358 4.481 3.960 -0.047 0.000 0.306 109 G HA3 0.358 4.288 3.960 -0.050 0.000 0.306 109 G C -2.525 172.352 174.900 -0.039 0.000 1.280 109 G CA 0.401 45.463 45.100 -0.063 0.000 0.837 109 G HN -0.788 7.413 8.290 -0.114 0.021 0.482 110 K N -0.600 119.802 120.400 0.004 0.000 2.502 110 K HA 0.361 4.652 4.320 -0.048 0.000 0.257 110 K C -2.100 174.518 176.600 0.030 0.000 0.938 110 K CA -0.672 55.631 56.287 0.026 0.000 0.819 110 K CB 4.106 36.683 32.500 0.129 0.000 1.333 110 K HN 0.347 8.610 8.250 0.022 0.000 0.434 111 V N 0.952 120.808 119.914 -0.095 0.000 2.483 111 V HA 0.272 4.178 4.120 -0.357 0.000 0.295 111 V C -0.594 175.515 176.094 0.026 0.000 1.035 111 V CA -1.208 60.960 62.300 -0.221 0.000 0.896 111 V CB 0.924 32.463 31.823 -0.473 0.000 0.986 111 V HN 0.401 8.514 8.190 -0.128 0.000 0.447 112 F N 6.737 126.560 119.950 -0.211 0.000 2.426 112 F HA 0.233 4.720 4.527 -0.067 0.000 0.348 112 F C -1.380 174.410 175.800 -0.017 0.000 1.124 112 F CA -1.760 56.193 58.000 -0.078 0.000 1.008 112 F CB 1.574 40.553 39.000 -0.034 0.000 1.139 112 F HN 0.032 8.447 8.300 0.191 0.000 0.452 113 L N 3.396 124.681 121.223 0.104 0.000 2.334 113 L HA 0.520 4.970 4.340 0.184 0.000 0.275 113 L C 0.343 177.281 176.870 0.114 0.000 1.036 113 L CA -1.155 53.760 54.840 0.126 0.000 0.807 113 L CB 1.314 43.430 42.059 0.094 0.000 1.231 113 L HN 0.456 8.685 8.230 -0.001 0.000 0.438 114 T N 2.672 117.300 114.554 0.123 0.000 3.193 114 T HA 0.235 4.629 4.350 0.073 0.000 0.332 114 T C -1.025 173.721 174.700 0.076 0.000 1.208 114 T CA 0.046 62.202 62.100 0.093 0.000 1.080 114 T CB 2.320 71.251 68.868 0.105 0.000 1.180 114 T HN 0.091 8.420 8.240 0.147 0.000 0.469 115 G N 2.236 111.067 108.800 0.052 0.000 2.314 115 G HA2 -0.312 3.664 3.960 0.027 0.000 0.292 115 G HA3 -0.312 3.670 3.960 0.036 0.000 0.292 115 G C -1.357 173.560 174.900 0.028 0.000 1.059 115 G CA 0.166 45.287 45.100 0.036 0.000 0.982 115 G HN 0.413 8.730 8.290 0.046 0.000 0.505 116 G N -1.976 106.841 108.800 0.030 0.000 2.503 116 G HA2 0.045 4.006 3.960 0.003 0.000 0.305 116 G HA3 0.045 4.016 3.960 0.020 0.000 0.305 116 G C -3.131 171.785 174.900 0.027 0.000 1.575 116 G CA 0.418 45.530 45.100 0.019 0.000 0.890 116 G HN -0.587 7.723 8.290 0.034 0.000 0.612 117 D N 1.149 121.558 120.400 0.014 0.000 2.633 117 D HA -0.005 4.655 4.640 0.033 0.000 0.198 117 D C -0.557 175.749 176.300 0.009 0.000 1.273 117 D CA -0.225 53.787 54.000 0.019 0.000 0.830 117 D CB 2.841 43.651 40.800 0.016 0.000 1.771 117 D HN -0.139 8.095 8.370 0.002 0.136 0.547 118 L N 4.575 125.807 121.223 0.015 0.000 2.559 118 L HA 0.036 4.462 4.340 -0.001 -0.086 0.282 118 L C -1.126 175.745 176.870 0.001 0.000 1.232 118 L CA -0.099 54.746 54.840 0.009 0.000 0.885 118 L CB 0.547 42.620 42.059 0.023 0.000 1.131 118 L HN 0.038 8.284 8.230 0.028 0.000 0.498 119 P HA 0.261 4.675 4.420 -0.011 0.000 0.214 119 P C -2.365 174.922 177.300 -0.022 0.000 1.826 119 P CA -0.370 62.720 63.100 -0.018 0.000 0.977 119 P CB -0.161 31.520 31.700 -0.033 0.000 1.930 120 A N 0.010 122.819 122.820 -0.018 0.000 2.610 120 A HA 0.210 4.512 4.320 -0.030 0.000 0.291 120 A C -1.961 175.607 177.584 -0.028 0.000 1.086 120 A CA -0.447 51.576 52.037 -0.024 0.000 0.677 120 A CB 2.402 21.392 19.000 -0.018 0.000 1.278 120 A HN -0.679 7.377 8.150 -0.011 0.087 0.414 121 L N -6.140 115.061 121.223 -0.038 0.000 3.094 121 L HA 0.112 4.434 4.340 -0.031 0.000 0.338 121 L C -1.458 175.383 176.870 -0.048 0.000 1.018 121 L CA 1.619 56.429 54.840 -0.050 0.000 1.520 121 L CB 0.414 42.415 42.059 -0.096 0.000 2.533 121 L HN 0.427 8.635 8.230 -0.036 0.000 0.576 122 D N 0.620 120.991 120.400 -0.048 0.000 2.720 122 D HA -0.254 4.360 4.640 -0.042 0.000 0.229 122 D C 0.303 176.578 176.300 -0.042 0.000 1.198 122 D CA 0.922 54.899 54.000 -0.039 0.000 0.639 122 D CB -0.868 39.918 40.800 -0.023 0.000 1.003 122 D HN -0.273 8.068 8.370 -0.049 0.000 0.411 123 G N -3.044 105.715 108.800 -0.068 0.000 2.298 123 G HA2 -0.338 3.788 3.960 -0.107 0.000 0.287 123 G HA3 -0.338 3.594 3.960 -0.047 0.000 0.287 123 G C -1.015 173.856 174.900 -0.048 0.000 1.075 123 G CA -0.057 45.001 45.100 -0.070 0.000 0.960 123 G HN -0.001 8.237 8.290 -0.088 -0.001 0.502 124 A N -1.388 121.394 122.820 -0.064 0.000 2.565 124 A HA -0.150 4.326 4.320 0.020 -0.144 0.237 124 A C -0.524 177.093 177.584 0.054 0.000 1.053 124 A CA 0.787 52.821 52.037 -0.005 0.000 0.755 124 A CB 0.847 19.843 19.000 -0.006 0.000 0.980 124 A HN -0.175 7.855 8.150 -0.103 0.058 0.506 125 R N 0.225 120.795 120.500 0.116 0.000 2.668 125 R HA 0.468 4.929 4.340 0.203 0.000 0.279 125 R C -1.892 174.565 176.300 0.262 0.000 0.976 125 R CA -0.808 55.401 56.100 0.181 0.000 0.978 125 R CB 3.173 33.552 30.300 0.131 0.000 1.133 125 R HN -0.242 8.087 8.270 0.099 0.000 0.484 126 V N 1.068 121.190 119.914 0.347 0.000 2.733 126 V HA 0.728 5.195 4.120 0.290 -0.173 0.306 126 V C -2.424 173.905 176.094 0.392 0.000 1.084 126 V CA -2.489 60.035 62.300 0.374 0.000 0.905 126 V CB 4.428 36.542 31.823 0.485 0.000 1.010 126 V HN 0.315 8.716 8.190 0.351 0.000 0.424 127 E N 7.821 128.192 120.200 0.284 0.000 2.166 127 E HA 0.406 4.931 4.350 0.292 0.000 0.275 127 E C -1.131 175.591 176.600 0.204 0.000 0.941 127 E CA -1.846 54.692 56.400 0.229 0.000 0.784 127 E CB 1.607 31.329 29.700 0.036 0.000 1.115 127 E HN -0.137 8.371 8.360 0.248 0.000 0.399 128 F N 3.023 122.952 119.950 -0.034 0.000 2.422 128 F HA 0.366 4.895 4.527 0.003 0.000 0.333 128 F C -0.781 174.962 175.800 -0.096 0.000 1.095 128 F CA -0.880 57.094 58.000 -0.043 0.000 1.038 128 F CB 2.293 41.264 39.000 -0.048 0.000 1.156 128 F HN -0.279 8.303 8.300 0.471 0.000 0.483 129 R N -1.697 118.826 120.500 0.037 0.000 2.560 129 R HA 0.357 4.706 4.340 0.016 0.000 0.267 129 R C -2.409 173.899 176.300 0.014 0.000 1.150 129 R CA -0.596 55.495 56.100 -0.015 0.000 0.997 129 R CB 1.381 31.590 30.300 -0.150 0.000 1.250 129 R HN -0.223 8.057 8.270 0.017 0.000 0.433 130 c N 2.876 121.494 118.600 0.031 0.000 2.396 130 c HA 0.078 4.683 4.570 -0.008 -0.040 0.359 130 c C 0.018 174.129 174.090 0.035 0.000 1.307 130 c CA 0.684 57.024 56.329 0.019 0.000 2.392 130 c CB 1.584 44.112 42.510 0.031 0.000 2.245 130 c HN 0.627 8.882 8.230 0.042 0.000 0.615 131 D N 2.037 122.438 120.400 0.003 0.000 2.406 131 D HA -0.033 4.626 4.640 0.031 0.000 0.234 131 D C -0.937 175.421 176.300 0.097 0.000 1.196 131 D CA 0.551 54.570 54.000 0.030 0.000 0.881 131 D CB 0.103 40.894 40.800 -0.015 0.000 1.205 131 D HN -0.207 8.124 8.370 -0.065 0.000 0.453 132 P HA -0.099 4.371 4.420 0.084 0.000 0.238 132 P C -1.947 175.427 177.300 0.124 0.000 1.729 132 P CA 0.883 64.037 63.100 0.089 0.000 1.055 132 P CB -1.703 30.032 31.700 0.059 0.000 1.980 133 D N -3.496 117.023 120.400 0.200 0.000 1.638 133 D HA -0.014 4.700 4.640 0.122 0.000 0.722 133 D C -1.954 174.508 176.300 0.269 0.000 0.662 133 D CA 0.838 54.978 54.000 0.232 0.000 1.220 133 D CB 1.102 42.088 40.800 0.311 0.000 1.303 133 D HN 0.473 8.927 8.370 0.222 0.050 0.452 134 F N 0.822 120.812 119.950 0.067 0.000 2.436 134 F HA 0.763 5.600 4.527 0.141 -0.226 0.340 134 F C -0.068 175.788 175.800 0.093 0.000 1.113 134 F CA -1.464 56.583 58.000 0.078 0.000 1.022 134 F CB 2.199 41.203 39.000 0.006 0.000 1.128 134 F HN -0.569 8.042 8.300 0.518 0.000 0.466 135 H N 2.252 121.365 119.070 0.071 0.000 2.488 135 H HA 0.265 4.841 4.556 0.033 0.000 0.322 135 H C -1.468 173.854 175.328 -0.011 0.000 1.078 135 H CA -1.893 54.166 56.048 0.018 0.000 1.260 135 H CB 1.208 30.955 29.762 -0.025 0.000 1.425 135 H HN 0.752 9.208 8.280 0.293 0.000 0.471 136 L N 5.151 126.357 121.223 -0.029 0.000 2.410 136 L HA -0.051 4.177 4.340 -0.186 0.000 0.273 136 L C -0.810 175.962 176.870 -0.165 0.000 1.144 136 L CA 0.683 55.452 54.840 -0.118 0.000 0.863 136 L CB 0.407 42.444 42.059 -0.037 0.000 1.140 136 L HN 0.589 8.848 8.230 0.049 0.000 0.463 137 V N 7.354 127.072 119.914 -0.326 0.000 2.502 137 V HA 0.230 4.270 4.120 -0.134 0.000 0.261 137 V C -1.629 174.294 176.094 -0.286 0.000 0.996 137 V CA -1.064 61.071 62.300 -0.275 0.000 1.095 137 V CB 0.116 31.772 31.823 -0.279 0.000 1.325 137 V HN -0.144 7.763 8.190 -0.472 0.000 0.574 138 G N 1.811 110.511 108.800 -0.168 0.000 2.704 138 G HA2 0.071 4.036 3.960 0.008 0.000 0.118 138 G HA3 0.071 4.021 3.960 -0.016 0.000 0.118 138 G C -0.485 174.370 174.900 -0.075 0.000 1.197 138 G CA 0.050 45.115 45.100 -0.059 0.000 1.152 138 G HN -0.375 7.826 8.290 -0.147 0.000 0.571 139 S N 1.420 117.059 115.700 -0.102 0.000 3.870 139 S HA -0.128 4.278 4.470 -0.107 0.000 0.198 139 S C 0.184 174.605 174.600 -0.298 0.000 1.336 139 S CA 0.034 58.133 58.200 -0.169 0.000 1.049 139 S CB -2.005 61.081 63.200 -0.190 0.000 1.412 139 S HN 0.310 8.577 8.310 -0.071 0.000 0.448 140 S N 1.431 117.022 115.700 -0.181 0.000 2.370 140 S HA -0.313 4.071 4.470 -0.143 0.000 0.226 140 S C 0.019 174.559 174.600 -0.100 0.000 1.033 140 S CA 3.307 61.430 58.200 -0.128 0.000 1.011 140 S CB 0.354 63.534 63.200 -0.033 0.000 0.852 140 S HN 0.175 8.321 8.310 -0.117 0.093 0.457 141 R N -0.107 120.357 120.500 -0.061 0.000 2.312 141 R HA 0.167 4.569 4.340 0.105 0.000 0.311 141 R C -1.514 174.796 176.300 0.017 0.000 1.004 141 R CA -0.600 55.516 56.100 0.026 0.000 0.902 141 R CB 1.593 31.920 30.300 0.044 0.000 1.073 141 R HN -0.246 7.978 8.270 -0.065 0.007 0.457 142 S N 4.486 120.269 115.700 0.138 0.000 2.541 142 S HA 0.204 4.782 4.470 0.179 0.000 0.271 142 S C -2.698 172.138 174.600 0.394 0.000 1.133 142 S CA -0.717 57.628 58.200 0.242 0.000 0.876 142 S CB 3.120 66.457 63.200 0.230 0.000 1.105 142 S HN 0.055 8.499 8.310 0.224 0.000 0.470 143 V N 2.042 122.160 119.914 0.340 0.000 2.686 143 V HA 0.397 4.799 4.120 0.284 -0.112 0.306 143 V C -1.755 174.344 176.094 0.009 0.000 1.065 143 V CA -2.235 60.193 62.300 0.213 0.000 0.894 143 V CB 3.516 35.401 31.823 0.103 0.000 1.004 143 V HN 0.152 8.516 8.190 0.289 0.000 0.424 144 c N 9.241 127.646 118.600 -0.327 0.000 2.648 144 c HA -0.053 3.926 4.570 -0.985 0.000 0.419 144 c C -1.602 172.278 174.090 -0.350 0.000 1.352 144 c CA 0.135 56.034 56.329 -0.716 0.000 1.816 144 c CB -1.797 40.133 42.510 -0.967 0.000 2.598 144 c HN 0.304 8.385 8.230 -0.247 0.000 0.598 145 S N 6.725 122.238 115.700 -0.310 0.000 2.570 145 S HA 0.019 4.392 4.470 -0.161 0.000 0.286 145 S C -1.853 172.659 174.600 -0.146 0.000 1.143 145 S CA 0.213 58.310 58.200 -0.173 0.000 0.921 145 S CB 1.822 64.963 63.200 -0.098 0.000 1.108 145 S HN 0.144 8.112 8.310 -0.399 0.103 0.456 146 Q N 4.562 124.293 119.800 -0.115 0.000 2.451 146 Q HA -0.373 3.924 4.340 -0.071 0.000 0.305 146 Q C -0.147 175.795 176.000 -0.096 0.000 1.345 146 Q CA 0.355 56.107 55.803 -0.084 0.000 0.854 146 Q CB -1.300 27.405 28.738 -0.055 0.000 1.162 146 Q HN 0.699 8.903 8.270 -0.109 0.000 0.440 147 G N -3.737 104.981 108.800 -0.138 0.000 2.323 147 G HA2 -0.448 3.501 3.960 -0.173 0.000 0.292 147 G HA3 -0.448 3.488 3.960 -0.085 -0.027 0.292 147 G C -1.668 173.146 174.900 -0.143 0.000 1.040 147 G CA 0.351 45.369 45.100 -0.137 0.000 0.942 147 G HN 0.297 8.492 8.290 -0.158 0.000 0.506 148 Q N -3.101 116.563 119.800 -0.227 0.000 2.574 148 Q HA 0.160 4.438 4.340 -0.105 0.000 0.265 148 Q C -2.139 173.734 176.000 -0.212 0.000 0.975 148 Q CA -1.659 54.052 55.803 -0.153 0.000 0.923 148 Q CB 2.571 31.288 28.738 -0.035 0.000 1.518 148 Q HN -0.915 7.096 8.270 -0.299 0.079 0.401 149 W N 3.641 124.854 121.300 -0.146 0.000 2.261 149 W HA 0.293 5.100 4.660 -0.043 -0.173 0.323 149 W C 0.726 177.250 176.519 0.008 0.000 1.243 149 W CA 0.141 57.441 57.345 -0.074 0.000 1.210 149 W CB 0.468 29.851 29.460 -0.128 0.000 1.149 149 W HN 0.436 8.756 8.180 0.234 0.000 0.562 150 S N 1.463 117.299 115.700 0.226 0.000 2.359 150 S HA -0.248 4.281 4.470 0.098 0.000 0.222 150 S C 0.627 175.320 174.600 0.155 0.000 1.038 150 S CA 2.338 60.624 58.200 0.144 0.000 1.051 150 S CB -0.123 63.142 63.200 0.110 0.000 0.944 150 S HN 0.011 8.455 8.310 0.224 0.000 0.433 151 T N -2.037 112.625 114.554 0.180 0.000 2.807 151 T HA 0.297 4.704 4.350 0.095 0.000 0.279 151 T C -2.419 172.373 174.700 0.153 0.000 0.993 151 T CA -3.523 58.642 62.100 0.108 0.000 0.970 151 T CB 1.777 70.651 68.868 0.009 0.000 0.950 151 T HN -0.677 7.697 8.240 0.223 0.000 0.441 152 P HA -0.111 4.547 4.420 0.397 0.000 0.317 152 P C -0.692 176.404 177.300 -0.339 0.000 1.316 152 P CA -0.679 62.456 63.100 0.059 0.000 0.744 152 P CB 0.875 32.610 31.700 0.059 0.000 1.521 153 K N -0.065 120.058 120.400 -0.463 0.000 2.297 153 K HA 0.239 4.216 4.320 -0.571 0.000 0.286 153 K C -1.507 174.964 176.600 -0.215 0.000 1.053 153 K CA -1.802 54.224 56.287 -0.434 0.000 0.940 153 K CB -1.258 31.018 32.500 -0.373 0.000 1.019 153 K HN 0.071 8.096 8.250 -0.376 0.000 0.475 154 P HA 0.084 4.538 4.420 0.057 0.000 0.343 154 P C -1.778 175.592 177.300 0.117 0.000 1.358 154 P CA -0.435 62.653 63.100 -0.019 0.000 0.802 154 P CB 1.091 32.718 31.700 -0.121 0.000 1.886 155 H N -5.037 113.989 119.070 -0.074 0.000 3.042 155 H HA 0.190 4.726 4.556 -0.033 0.000 0.345 155 H C -1.791 173.514 175.328 -0.039 0.000 1.052 155 H CA -0.865 55.156 56.048 -0.045 0.000 1.311 155 H CB 0.395 30.131 29.762 -0.044 0.000 1.810 155 H HN 0.012 8.218 8.280 -0.124 0.000 0.505 156 c N 4.857 123.455 118.600 -0.004 0.000 2.330 156 c HA 0.333 4.946 4.570 -0.188 -0.155 0.344 156 c C -0.644 173.526 174.090 0.133 0.000 1.273 156 c CA -0.290 56.045 56.329 0.009 0.000 1.879 156 c CB 0.077 42.673 42.510 0.144 0.000 2.376 156 c HN 0.520 8.797 8.230 0.077 0.000 0.534 157 Q N 4.973 124.642 119.800 -0.219 0.000 2.245 157 Q HA 0.243 4.520 4.340 -0.105 0.000 0.256 157 Q C -1.695 174.013 176.000 -0.487 0.000 0.942 157 Q CA -1.442 54.193 55.803 -0.280 0.000 0.896 157 Q CB 3.092 31.630 28.738 -0.334 0.000 1.272 157 Q HN 0.045 7.997 8.270 -0.531 0.000 0.442 158 V N 5.892 125.277 119.914 -0.881 0.000 2.614 158 V HA -0.132 3.087 4.120 -1.720 -0.131 0.291 158 V C -0.311 175.564 176.094 -0.364 0.000 1.049 158 V CA -0.206 61.390 62.300 -1.174 0.000 1.038 158 V CB 1.211 32.369 31.823 -1.108 0.000 0.980 158 V HN 0.358 8.175 8.190 -0.621 0.000 0.481 159 N N 0.000 118.559 118.700 -0.235 0.000 0.000 159 N HA 0.000 4.670 4.740 -0.116 0.000 0.000 159 N CA 0.000 52.972 53.050 -0.130 0.000 0.000 159 N CB 0.000 38.422 38.487 -0.109 0.000 0.000 159 N HN 0.000 8.214 8.380 -0.276 0.000 0.000