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 1y76_10_B DATA FIRST_RESID 80 DATA SEQUENCE AVKILEIEDL FSSLKHIQHT LVDSQSQEDI SLLLQLVQNK DFQNAFKIHN DATA SEQUENCE AITVHMNKAS 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 80 A HA 0.000 4.326 4.320 0.010 0.000 0.244 80 A C 0.000 177.595 177.584 0.019 0.000 1.274 80 A CA 0.000 52.046 52.037 0.015 0.000 0.836 80 A CB 0.000 19.011 19.000 0.018 0.000 0.831 81 V N -5.226 114.700 119.914 0.019 0.000 3.098 81 V HA 0.273 4.410 4.120 0.027 0.000 0.416 81 V C -1.241 174.871 176.094 0.031 0.000 1.449 81 V CA -0.461 61.848 62.300 0.015 0.000 1.486 81 V CB 0.740 32.553 31.823 -0.016 0.000 1.277 81 V HN -0.023 8.178 8.190 0.019 0.000 0.623 82 K N 2.316 122.747 120.400 0.052 0.000 2.350 82 K HA 0.135 4.487 4.320 0.054 0.000 0.279 82 K C -0.343 176.324 176.600 0.111 0.000 1.027 82 K CA 0.453 56.779 56.287 0.066 0.000 0.969 82 K CB 0.769 33.304 32.500 0.058 0.000 0.954 82 K HN -0.285 7.994 8.250 0.048 0.000 0.474 83 I N 1.547 122.188 120.570 0.120 0.000 3.783 83 I HA 0.060 4.376 4.170 0.242 0.000 0.272 83 I C -0.204 176.036 176.117 0.205 0.000 1.329 83 I CA -0.604 60.808 61.300 0.186 0.000 0.887 83 I CB 0.326 38.427 38.000 0.169 0.000 1.596 83 I HN 0.114 8.379 8.210 0.092 0.000 0.712 84 L N -0.921 120.485 121.223 0.304 0.000 2.567 84 L HA 0.073 4.527 4.340 0.191 0.000 0.228 84 L C -1.249 175.743 176.870 0.204 0.000 1.046 84 L CA 0.796 55.806 54.840 0.284 0.000 1.013 84 L CB 1.969 44.297 42.059 0.448 0.000 1.944 84 L HN 0.218 8.679 8.230 0.384 0.000 0.510 85 E N -1.608 118.748 120.200 0.261 0.000 6.822 85 E HA -0.292 4.139 4.350 0.136 0.000 0.220 85 E C 0.353 176.914 176.600 -0.066 0.000 1.203 85 E CA 0.513 56.973 56.400 0.100 0.000 1.484 85 E CB -0.766 28.988 29.700 0.090 0.000 0.945 85 E HN -0.061 8.612 8.360 0.522 0.000 0.289 86 I N 5.402 125.809 120.570 -0.272 0.000 2.381 86 I HA -0.482 3.460 4.170 -0.381 0.000 0.255 86 I C 1.519 177.628 176.117 -0.013 0.000 1.140 86 I CA 3.598 64.726 61.300 -0.287 0.000 1.404 86 I CB 0.047 37.849 38.000 -0.330 0.000 1.075 86 I HN 0.453 8.477 8.210 -0.311 0.000 0.433 87 E N -0.680 119.537 120.200 0.029 0.000 2.051 87 E HA -0.470 3.973 4.350 0.155 0.000 0.192 87 E C 1.783 178.421 176.600 0.063 0.000 0.991 87 E CA 3.523 59.972 56.400 0.082 0.000 0.799 87 E CB -0.331 29.401 29.700 0.052 0.000 0.748 87 E HN -0.647 7.870 8.360 0.003 -0.156 0.449 88 D N -0.477 119.947 120.400 0.039 0.000 2.162 88 D HA -0.111 4.538 4.640 0.015 0.000 0.203 88 D C 2.566 178.889 176.300 0.039 0.000 0.967 88 D CA 2.789 56.806 54.000 0.029 0.000 0.840 88 D CB 0.407 41.225 40.800 0.030 0.000 0.972 88 D HN -0.482 7.825 8.370 0.033 0.082 0.482 89 L N -0.437 120.810 121.223 0.039 0.000 2.217 89 L HA -0.132 4.236 4.340 0.047 0.000 0.211 89 L C 1.257 178.195 176.870 0.113 0.000 1.107 89 L CA 3.053 57.919 54.840 0.043 0.000 0.783 89 L CB -0.438 41.611 42.059 -0.017 0.000 0.919 89 L HN 0.026 8.201 8.230 0.017 0.065 0.442 90 F N 1.161 121.067 119.950 -0.074 0.000 2.128 90 F HA -0.315 4.169 4.527 -0.072 0.000 0.295 90 F C 1.246 177.026 175.800 -0.033 0.000 1.100 90 F CA 1.057 59.019 58.000 -0.064 0.000 1.260 90 F CB -0.384 38.573 39.000 -0.071 0.000 1.009 90 F HN 0.534 8.720 8.300 0.189 0.228 0.476 91 S N -0.050 115.651 115.700 0.001 0.000 2.399 91 S HA -0.411 3.903 4.470 -0.259 0.000 0.231 91 S C 2.324 176.922 174.600 -0.003 0.000 1.022 91 S CA 3.405 61.540 58.200 -0.110 0.000 0.983 91 S CB -0.359 62.788 63.200 -0.089 0.000 0.803 91 S HN -0.319 8.025 8.310 0.057 0.000 0.480 92 S N 3.053 118.777 115.700 0.040 0.000 2.348 92 S HA -0.359 4.120 4.470 0.016 0.000 0.221 92 S C 1.683 176.351 174.600 0.113 0.000 1.033 92 S CA 4.050 62.280 58.200 0.050 0.000 1.010 92 S CB -0.110 63.109 63.200 0.033 0.000 0.891 92 S HN -0.563 7.674 8.310 0.050 0.102 0.442 93 L N 0.026 121.324 121.223 0.125 0.000 2.079 93 L HA -0.425 3.984 4.340 0.115 0.000 0.210 93 L C 2.126 179.071 176.870 0.125 0.000 1.081 93 L CA 2.889 57.808 54.840 0.131 0.000 0.752 93 L CB -0.800 41.344 42.059 0.143 0.000 0.896 93 L HN -0.396 7.914 8.230 0.134 0.000 0.433 94 K N -1.491 118.968 120.400 0.099 0.000 2.032 94 K HA -0.373 3.967 4.320 0.034 0.000 0.209 94 K C 2.287 178.930 176.600 0.071 0.000 1.048 94 K CA 3.004 59.311 56.287 0.033 0.000 0.927 94 K CB -0.709 31.739 32.500 -0.088 0.000 0.712 94 K HN -0.318 7.889 8.250 0.096 0.101 0.441 95 H N 0.332 119.406 119.070 0.006 0.000 2.276 95 H HA -0.238 4.343 4.556 0.043 0.000 0.301 95 H C 2.182 177.544 175.328 0.056 0.000 1.073 95 H CA 3.638 59.705 56.048 0.032 0.000 1.311 95 H CB 0.181 29.954 29.762 0.018 0.000 1.379 95 H HN -0.614 7.690 8.280 0.190 0.089 0.494 96 I N -0.110 120.634 120.570 0.290 0.000 2.315 96 I HA -0.627 3.675 4.170 0.221 0.000 0.251 96 I C 2.277 178.431 176.117 0.061 0.000 1.125 96 I CA 4.233 65.646 61.300 0.188 0.000 1.392 96 I CB -0.489 37.614 38.000 0.172 0.000 1.065 96 I HN 0.606 8.925 8.210 0.357 0.106 0.424 97 Q N -0.131 119.710 119.800 0.068 0.000 2.046 97 Q HA -0.403 3.968 4.340 0.052 0.000 0.200 97 Q C 1.956 178.005 176.000 0.081 0.000 0.975 97 Q CA 3.434 59.275 55.803 0.063 0.000 0.836 97 Q CB -0.018 28.758 28.738 0.064 0.000 0.896 97 Q HN 0.329 8.430 8.270 0.090 0.223 0.428 98 H N -2.856 116.163 119.070 -0.084 0.000 2.502 98 H HA -0.081 4.432 4.556 -0.071 0.000 0.283 98 H C 2.186 177.425 175.328 -0.149 0.000 1.015 98 H CA 2.047 58.032 56.048 -0.106 0.000 1.298 98 H CB 0.262 29.957 29.762 -0.113 0.000 1.411 98 H HN -0.592 7.750 8.280 0.103 0.000 0.556 99 T N -0.560 113.899 114.554 -0.158 0.000 2.978 99 T HA -0.120 4.091 4.350 -0.232 0.000 0.262 99 T C 0.430 175.070 174.700 -0.099 0.000 1.063 99 T CA 3.643 65.613 62.100 -0.216 0.000 1.140 99 T CB 1.033 69.674 68.868 -0.378 0.000 0.886 99 T HN 0.123 8.050 8.240 -0.136 0.231 0.470 100 L N 2.923 124.117 121.223 -0.048 0.000 2.494 100 L HA 0.200 4.525 4.340 -0.025 0.000 0.251 100 L C -1.614 175.245 176.870 -0.019 0.000 1.119 100 L CA -0.801 54.027 54.840 -0.019 0.000 1.026 100 L CB -0.206 41.859 42.059 0.011 0.000 1.370 100 L HN 0.088 8.182 8.230 -0.035 0.115 0.426 101 V N -2.804 117.084 119.914 -0.043 0.000 3.140 101 V HA 0.103 4.213 4.120 -0.017 0.000 0.379 101 V C 0.122 176.200 176.094 -0.027 0.000 1.296 101 V CA -0.870 61.407 62.300 -0.039 0.000 1.351 101 V CB -0.502 31.273 31.823 -0.081 0.000 1.311 101 V HN -0.707 7.447 8.190 -0.060 0.000 0.508 102 D N 1.173 121.563 120.400 -0.017 0.000 2.325 102 D HA 0.023 4.653 4.640 -0.016 0.000 0.234 102 D C 0.195 176.492 176.300 -0.006 0.000 1.122 102 D CA 0.624 54.617 54.000 -0.012 0.000 0.850 102 D CB -0.676 40.120 40.800 -0.008 0.000 0.921 102 D HN -0.098 8.166 8.370 -0.013 0.099 0.513 103 S N -1.501 114.197 115.700 -0.004 0.000 2.260 103 S HA -0.575 3.896 4.470 0.002 0.000 0.243 103 S C 1.207 175.808 174.600 0.002 0.000 1.065 103 S CA 3.199 61.399 58.200 -0.000 0.000 2.199 103 S CB -1.476 61.723 63.200 -0.002 0.000 1.307 103 S HN 0.119 8.317 8.310 -0.005 0.109 0.497 104 Q N 0.135 119.935 119.800 0.001 0.000 2.170 104 Q HA -0.209 4.132 4.340 0.002 0.000 0.203 104 Q C 2.112 178.115 176.000 0.004 0.000 0.976 104 Q CA 2.886 58.690 55.803 0.002 0.000 0.858 104 Q CB 0.086 28.825 28.738 0.002 0.000 0.907 104 Q HN 0.067 8.283 8.270 -0.000 0.053 0.433 105 S N -1.590 114.113 115.700 0.005 0.000 2.357 105 S HA -0.236 4.241 4.470 0.011 0.000 0.221 105 S C 1.355 175.962 174.600 0.013 0.000 1.031 105 S CA 3.689 61.895 58.200 0.010 0.000 0.982 105 S CB -0.655 62.550 63.200 0.009 0.000 0.853 105 S HN 0.126 8.414 8.310 0.003 0.024 0.458 106 Q N -0.542 119.266 119.800 0.012 0.000 2.170 106 Q HA -0.306 4.049 4.340 0.025 0.000 0.203 106 Q C 2.369 178.377 176.000 0.013 0.000 0.976 106 Q CA 2.996 58.810 55.803 0.018 0.000 0.858 106 Q CB -0.686 28.065 28.738 0.021 0.000 0.907 106 Q HN 0.327 8.602 8.270 0.009 0.000 0.433 107 E N 0.108 120.312 120.200 0.007 0.000 2.072 107 E HA -0.237 4.113 4.350 0.001 0.000 0.190 107 E C 2.395 178.994 176.600 -0.002 0.000 0.982 107 E CA 2.832 59.233 56.400 0.002 0.000 0.803 107 E CB -0.340 29.361 29.700 0.000 0.000 0.755 107 E HN -0.274 7.976 8.360 0.007 0.115 0.453 108 D N 0.447 120.848 120.400 0.002 0.000 2.123 108 D HA -0.175 4.463 4.640 -0.004 0.000 0.200 108 D C 2.581 178.881 176.300 -0.000 0.000 0.976 108 D CA 3.169 57.169 54.000 0.001 0.000 0.831 108 D CB -0.064 40.739 40.800 0.007 0.000 0.974 108 D HN -0.579 7.707 8.370 0.005 0.087 0.469 109 I N 0.247 120.822 120.570 0.009 0.000 2.179 109 I HA -0.550 3.631 4.170 0.019 0.000 0.242 109 I C 1.703 177.822 176.117 0.002 0.000 1.088 109 I CA 4.384 65.694 61.300 0.017 0.000 1.357 109 I CB 0.084 38.105 38.000 0.034 0.000 1.051 109 I HN 0.410 8.517 8.210 0.013 0.110 0.409 110 S N 0.352 116.053 115.700 0.001 0.000 2.400 110 S HA -0.420 4.048 4.470 -0.003 0.000 0.232 110 S C 1.776 176.348 174.600 -0.047 0.000 1.025 110 S CA 3.580 61.772 58.200 -0.013 0.000 0.993 110 S CB -0.107 63.089 63.200 -0.007 0.000 0.808 110 S HN 0.027 8.225 8.310 0.006 0.116 0.478 111 L N 1.985 123.182 121.223 -0.044 0.000 1.989 111 L HA -0.346 3.953 4.340 -0.068 0.000 0.211 111 L C 1.139 177.942 176.870 -0.112 0.000 1.071 111 L CA 3.546 58.348 54.840 -0.065 0.000 0.749 111 L CB -0.077 41.958 42.059 -0.040 0.000 0.890 111 L HN -0.552 7.540 8.230 -0.026 0.122 0.431 112 L N -2.748 118.418 121.223 -0.095 0.000 2.046 112 L HA -0.455 3.782 4.340 -0.171 0.000 0.208 112 L C 2.160 178.894 176.870 -0.227 0.000 1.077 112 L CA 3.102 57.859 54.840 -0.139 0.000 0.747 112 L CB -0.810 41.212 42.059 -0.062 0.000 0.896 112 L HN -0.646 7.479 8.230 -0.055 0.073 0.432 113 L N -2.165 118.965 121.223 -0.155 0.000 2.042 113 L HA -0.543 3.643 4.340 -0.257 0.000 0.210 113 L C 2.431 179.115 176.870 -0.311 0.000 1.076 113 L CA 3.745 58.464 54.840 -0.201 0.000 0.749 113 L CB -0.701 41.333 42.059 -0.042 0.000 0.893 113 L HN 0.346 8.460 8.230 -0.087 0.063 0.432 114 Q N -1.756 117.902 119.800 -0.236 0.000 2.020 114 Q HA -0.420 3.797 4.340 -0.205 0.000 0.202 114 Q C 2.660 178.448 176.000 -0.353 0.000 0.982 114 Q CA 3.327 58.990 55.803 -0.234 0.000 0.838 114 Q CB 0.087 28.734 28.738 -0.153 0.000 0.899 114 Q HN 0.249 8.211 8.270 -0.177 0.201 0.423 115 L N -1.129 119.804 121.223 -0.484 0.000 1.994 115 L HA -0.289 3.678 4.340 -0.621 0.000 0.208 115 L C 3.081 179.124 176.870 -1.379 0.000 1.071 115 L CA 2.950 57.240 54.840 -0.917 0.000 0.745 115 L CB -0.735 40.704 42.059 -1.033 0.000 0.892 115 L HN -0.408 7.587 8.230 -0.391 0.000 0.431 116 V N -1.879 117.416 119.914 -1.031 0.000 2.392 116 V HA -0.505 3.286 4.120 -0.548 0.000 0.249 116 V C 1.278 177.065 176.094 -0.512 0.000 1.059 116 V CA 3.314 65.207 62.300 -0.677 0.000 1.051 116 V CB -0.362 31.151 31.823 -0.515 0.000 0.658 116 V HN 0.416 8.024 8.190 -0.788 0.110 0.455 117 Q N -5.497 113.967 119.800 -0.559 0.000 2.425 117 Q HA -0.032 4.018 4.340 -0.483 0.000 0.204 117 Q C -0.024 175.844 176.000 -0.219 0.000 0.933 117 Q CA -0.258 55.275 55.803 -0.449 0.000 0.939 117 Q CB 0.232 28.687 28.738 -0.472 0.000 1.044 117 Q HN -0.200 7.522 8.270 -0.564 0.209 0.513 118 N N 0.550 119.135 118.700 -0.191 0.000 2.416 118 N HA -0.095 4.606 4.740 -0.065 0.000 0.246 118 N C 0.209 175.739 175.510 0.032 0.000 1.260 118 N CA 0.615 53.630 53.050 -0.057 0.000 0.897 118 N CB 1.073 39.548 38.487 -0.020 0.000 1.110 118 N HN -0.690 7.304 8.380 -0.314 0.198 0.439 119 K N 2.903 123.324 120.400 0.035 0.000 1.991 119 K HA -0.213 4.129 4.320 0.037 0.000 0.207 119 K C 1.408 178.053 176.600 0.076 0.000 1.045 119 K CA 3.931 60.245 56.287 0.045 0.000 0.937 119 K CB 0.106 32.622 32.500 0.027 0.000 0.720 119 K HN 0.429 8.691 8.250 0.019 0.000 0.438 120 D N -2.012 118.436 120.400 0.080 0.000 2.097 120 D HA -0.223 4.448 4.640 0.052 0.000 0.195 120 D C 1.882 178.250 176.300 0.114 0.000 0.989 120 D CA 3.259 57.305 54.000 0.078 0.000 0.827 120 D CB -0.801 40.038 40.800 0.065 0.000 0.966 120 D HN 0.251 8.662 8.370 0.068 0.000 0.456 121 F N 0.057 120.013 119.950 0.009 0.000 2.069 121 F HA -0.401 4.151 4.527 0.041 0.000 0.298 121 F C 0.976 176.814 175.800 0.065 0.000 1.113 121 F CA 3.228 61.247 58.000 0.032 0.000 1.214 121 F CB -0.096 38.910 39.000 0.010 0.000 0.978 121 F HN -0.365 8.095 8.300 0.268 0.000 0.474 122 Q N -2.049 117.977 119.800 0.377 0.000 2.112 122 Q HA -0.529 4.002 4.340 0.319 0.000 0.206 122 Q C 2.633 178.708 176.000 0.124 0.000 0.987 122 Q CA 3.371 59.316 55.803 0.238 0.000 0.858 122 Q CB -0.384 28.430 28.738 0.127 0.000 0.905 122 Q HN -0.400 8.085 8.270 0.358 0.000 0.420 123 N N -0.410 118.337 118.700 0.078 0.000 2.069 123 N HA -0.315 4.454 4.740 0.049 0.000 0.191 123 N C 1.913 177.433 175.510 0.016 0.000 1.031 123 N CA 3.255 56.331 53.050 0.042 0.000 0.852 123 N CB -0.008 38.495 38.487 0.028 0.000 1.018 123 N HN -0.532 7.810 8.380 0.089 0.091 0.423 124 A N -0.120 122.677 122.820 -0.039 0.000 1.883 124 A HA -0.277 4.002 4.320 -0.068 0.000 0.217 124 A C 2.036 179.564 177.584 -0.094 0.000 1.186 124 A CA 3.080 55.057 52.037 -0.101 0.000 0.624 124 A CB -0.802 18.080 19.000 -0.197 0.000 0.822 124 A HN -0.317 7.808 8.150 -0.041 0.000 0.444 125 F N -1.173 118.627 119.950 -0.250 0.000 2.161 125 F HA -0.422 3.984 4.527 -0.201 0.000 0.300 125 F C 1.974 177.760 175.800 -0.024 0.000 1.089 125 F CA 3.711 61.608 58.000 -0.172 0.000 1.282 125 F CB 0.269 39.171 39.000 -0.163 0.000 1.010 125 F HN -0.179 8.086 8.300 -0.058 0.000 0.485 126 K N -1.358 119.174 120.400 0.220 0.000 2.097 126 K HA -0.351 4.090 4.320 0.203 0.000 0.205 126 K C 2.445 179.088 176.600 0.072 0.000 1.050 126 K CA 2.240 58.617 56.287 0.150 0.000 0.938 126 K CB -0.526 32.029 32.500 0.092 0.000 0.718 126 K HN -0.325 7.931 8.250 0.178 0.101 0.442 127 I N -0.095 120.495 120.570 0.033 0.000 2.179 127 I HA -0.552 3.604 4.170 -0.023 0.000 0.242 127 I C 1.651 177.760 176.117 -0.015 0.000 1.088 127 I CA 4.540 65.835 61.300 -0.007 0.000 1.357 127 I CB -0.323 37.665 38.000 -0.020 0.000 1.051 127 I HN -0.294 7.847 8.210 0.032 0.088 0.409 128 H N -0.679 118.319 119.070 -0.119 0.000 2.457 128 H HA -0.312 4.170 4.556 -0.123 0.000 0.294 128 H C 2.183 177.448 175.328 -0.105 0.000 1.064 128 H CA 3.827 59.783 56.048 -0.153 0.000 1.330 128 H CB 0.137 29.728 29.762 -0.285 0.000 1.395 128 H HN -0.351 7.957 8.280 0.045 0.000 0.541 129 N N 0.063 118.795 118.700 0.054 0.000 2.028 129 N HA -0.358 4.448 4.740 0.109 0.000 0.194 129 N C 1.746 177.242 175.510 -0.022 0.000 1.050 129 N CA 3.454 56.550 53.050 0.077 0.000 0.848 129 N CB 0.064 38.666 38.487 0.191 0.000 1.038 129 N HN -0.252 8.066 8.380 0.109 0.128 0.423 130 A N -0.311 122.491 122.820 -0.030 0.000 1.855 130 A HA -0.302 4.002 4.320 -0.027 0.000 0.215 130 A C 1.903 179.420 177.584 -0.112 0.000 1.191 130 A CA 3.225 55.218 52.037 -0.072 0.000 0.613 130 A CB -0.295 18.635 19.000 -0.117 0.000 0.829 130 A HN -0.444 7.702 8.150 -0.007 0.000 0.442 131 I N -2.371 118.118 120.570 -0.136 0.000 2.194 131 I HA -0.563 3.542 4.170 -0.108 0.000 0.246 131 I C 2.285 178.336 176.117 -0.111 0.000 1.093 131 I CA 4.073 65.301 61.300 -0.120 0.000 1.355 131 I CB -0.382 37.546 38.000 -0.119 0.000 1.046 131 I HN -0.173 7.962 8.210 -0.124 0.000 0.413 132 T N 1.160 115.582 114.554 -0.219 0.000 2.708 132 T HA -0.330 3.891 4.350 -0.215 0.000 0.266 132 T C 1.569 176.220 174.700 -0.082 0.000 1.037 132 T CA 4.772 66.732 62.100 -0.233 0.000 1.146 132 T CB -0.192 68.414 68.868 -0.436 0.000 0.865 132 T HN -0.538 7.525 8.240 -0.283 0.007 0.435 133 V N 1.956 121.851 119.914 -0.032 0.000 2.255 133 V HA -0.460 3.804 4.120 0.018 -0.133 0.247 133 V C 2.210 178.360 176.094 0.093 0.000 1.051 133 V CA 3.680 66.004 62.300 0.040 0.000 1.018 133 V CB -0.995 30.875 31.823 0.078 0.000 0.641 133 V HN -0.495 7.596 8.190 -0.059 0.064 0.445 134 H N -0.684 118.358 119.070 -0.046 0.000 2.421 134 H HA -0.312 4.228 4.556 -0.027 0.000 0.298 134 H C 2.824 178.127 175.328 -0.040 0.000 1.087 134 H CA 3.134 59.161 56.048 -0.036 0.000 1.330 134 H CB 0.156 29.898 29.762 -0.034 0.000 1.388 134 H HN 0.137 8.541 8.280 0.208 0.000 0.526 135 M N -0.313 119.324 119.600 0.061 0.000 2.065 135 M HA -0.485 4.002 4.480 0.011 0.000 0.259 135 M C 0.954 177.248 176.300 -0.011 0.000 1.069 135 M CA 4.460 59.763 55.300 0.005 0.000 1.110 135 M CB 0.321 32.902 32.600 -0.032 0.000 1.328 135 M HN 0.196 8.295 8.290 0.055 0.224 0.405 136 N N -3.144 115.547 118.700 -0.014 0.000 2.300 136 N HA -0.223 4.506 4.740 -0.018 0.000 0.179 136 N C 2.277 177.771 175.510 -0.027 0.000 1.016 136 N CA 2.187 55.226 53.050 -0.018 0.000 0.876 136 N CB -0.027 38.451 38.487 -0.014 0.000 0.979 136 N HN -0.464 7.908 8.380 -0.012 0.000 0.432 137 K N 0.462 120.840 120.400 -0.036 0.000 1.963 137 K HA -0.179 4.110 4.320 -0.052 0.000 0.216 137 K C 1.176 177.721 176.600 -0.091 0.000 1.045 137 K CA 2.012 58.257 56.287 -0.070 0.000 0.954 137 K CB 0.219 32.654 32.500 -0.109 0.000 0.732 137 K HN 0.165 8.299 8.250 -0.021 0.103 0.442 138 A N -0.264 122.478 122.820 -0.131 0.000 2.990 138 A HA 0.047 4.304 4.320 -0.106 0.000 0.282 138 A C -1.022 176.527 177.584 -0.057 0.000 1.688 138 A CA -0.388 51.582 52.037 -0.113 0.000 1.391 138 A CB -1.496 17.409 19.000 -0.158 0.000 1.112 138 A HN -0.369 7.588 8.150 -0.161 0.096 0.588 139 S N 0.000 115.673 115.700 -0.045 0.000 2.498 139 S HA 0.000 4.456 4.470 -0.024 0.000 0.327 139 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 139 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 139 S HN 0.000 8.243 8.310 -0.049 0.037 0.517