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 1a0n_1_B DATA FIRST_RESID 84 DATA SEQUENCE VTLFVAXXXX XXXXXXLYDY EARTEDDLSF HKGEKFQILN SSEGDWWEAR DATA SEQUENCE SLTTGETGYI PSNYVAPV 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 84 V HA 0.000 4.125 4.120 0.008 0.000 0.244 84 V C 0.000 176.110 176.094 0.027 0.000 1.182 84 V CA 0.000 62.307 62.300 0.011 0.000 1.235 84 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 85 T N 6.268 120.864 114.554 0.069 0.000 4.205 85 T HA 0.111 4.501 4.350 0.066 0.000 0.219 85 T C -1.898 172.981 174.700 0.299 0.000 0.975 85 T CA 0.070 62.279 62.100 0.180 0.000 1.484 85 T CB -0.038 68.993 68.868 0.272 0.000 0.805 85 T HN 0.239 8.520 8.240 0.069 0.000 0.616 86 L N 1.342 122.596 121.223 0.051 0.000 2.399 86 L HA 0.178 4.824 4.340 0.319 -0.114 0.266 86 L C -1.266 175.582 176.870 -0.036 0.000 1.114 86 L CA -0.540 54.382 54.840 0.137 0.000 0.804 86 L CB 1.488 43.556 42.059 0.014 0.000 1.146 86 L HN -0.289 7.902 8.230 -0.065 0.000 0.451 87 F N 0.126 120.111 119.950 0.060 0.000 2.578 87 F HA 0.707 5.404 4.527 0.044 -0.144 0.311 87 F C -1.032 174.780 175.800 0.020 0.000 1.094 87 F CA -1.398 56.642 58.000 0.066 0.000 0.923 87 F CB 3.791 42.875 39.000 0.140 0.000 1.230 87 F HN 0.201 8.769 8.300 0.446 0.000 0.450 88 V N 0.022 119.998 119.914 0.104 0.000 2.834 88 V HA 0.580 4.796 4.120 -0.117 -0.166 0.313 88 V C -0.395 175.717 176.094 0.029 0.000 1.060 88 V CA -2.852 59.434 62.300 -0.022 0.000 0.989 88 V CB 1.640 33.416 31.823 -0.077 0.000 1.041 88 V HN 0.298 8.529 8.190 0.068 0.000 0.459 101 Y N -2.998 117.227 120.300 -0.125 0.000 2.571 101 Y HA 0.072 4.570 4.550 -0.088 0.000 0.341 101 Y C -1.679 174.250 175.900 0.047 0.000 1.076 101 Y CA -1.460 56.543 58.100 -0.162 0.000 1.029 101 Y CB 3.407 41.530 38.460 -0.561 0.000 1.308 101 Y HN -0.670 7.467 8.280 -0.140 0.060 0.461 102 D N 0.644 121.081 120.400 0.063 0.000 2.377 102 D HA -0.218 4.396 4.640 -0.159 -0.069 0.245 102 D C -2.248 173.997 176.300 -0.092 0.000 1.196 102 D CA 0.333 54.172 54.000 -0.267 0.000 0.962 102 D CB 0.922 41.003 40.800 -1.199 0.000 1.127 102 D HN 0.031 8.434 8.370 0.055 0.000 0.471 103 Y N -2.430 117.526 120.300 -0.574 0.000 2.521 103 Y HA 0.092 4.513 4.550 -0.215 0.000 0.332 103 Y C -2.533 173.132 175.900 -0.392 0.000 1.121 103 Y CA -0.726 57.106 58.100 -0.446 0.000 1.037 103 Y CB 3.860 41.978 38.460 -0.570 0.000 1.330 103 Y HN -0.191 7.727 8.280 -0.603 0.000 0.452 104 E N 4.390 123.988 120.200 -1.005 0.000 2.256 104 E HA 0.251 4.261 4.350 -0.567 0.000 0.243 104 E C -1.644 174.354 176.600 -1.004 0.000 0.925 104 E CA -2.051 53.895 56.400 -0.755 0.000 0.748 104 E CB -0.061 29.432 29.700 -0.345 0.000 1.206 104 E HN 0.525 8.386 8.360 -0.832 0.000 0.428 105 A N 5.378 127.639 122.820 -0.932 0.000 2.572 105 A HA -0.266 3.795 4.320 -0.433 0.000 0.256 105 A C 0.098 177.545 177.584 -0.229 0.000 1.041 105 A CA 1.046 52.816 52.037 -0.446 0.000 0.790 105 A CB 0.065 19.014 19.000 -0.085 0.000 0.947 105 A HN 0.161 7.856 8.150 -0.759 0.000 0.518 106 R N 3.437 123.866 120.500 -0.119 0.000 2.307 106 R HA -0.134 4.152 4.340 -0.089 0.000 0.199 106 R C -0.455 175.818 176.300 -0.046 0.000 1.000 106 R CA 1.595 57.654 56.100 -0.068 0.000 1.023 106 R CB 0.479 30.764 30.300 -0.025 0.000 0.908 106 R HN 0.417 8.668 8.270 -0.033 0.000 0.473 107 T N -3.039 111.495 114.554 -0.033 0.000 2.807 107 T HA 0.193 4.526 4.350 -0.028 0.000 0.277 107 T C -0.639 174.059 174.700 -0.004 0.000 1.006 107 T CA -2.015 60.070 62.100 -0.025 0.000 1.006 107 T CB 1.879 70.724 68.868 -0.038 0.000 1.274 107 T HN -0.804 7.360 8.240 -0.023 0.062 0.569 108 E N -1.094 119.109 120.200 0.005 0.000 2.478 108 E HA -0.016 4.349 4.350 0.025 0.000 0.194 108 E C 0.042 176.675 176.600 0.055 0.000 1.045 108 E CA 0.964 57.379 56.400 0.025 0.000 0.868 108 E CB 0.294 30.005 29.700 0.019 0.000 0.885 108 E HN 0.222 8.579 8.360 -0.005 0.000 0.505 109 D N -2.097 118.337 120.400 0.058 0.000 2.146 109 D HA -0.084 4.637 4.640 0.135 0.000 0.209 109 D C 0.447 176.869 176.300 0.205 0.000 0.973 109 D CA 1.317 55.387 54.000 0.117 0.000 0.860 109 D CB 0.216 41.045 40.800 0.049 0.000 1.015 109 D HN -0.135 8.198 8.370 0.026 0.052 0.465 110 D N -1.172 119.338 120.400 0.184 0.000 2.335 110 D HA -0.119 4.936 4.640 0.436 -0.154 0.236 110 D C -0.106 176.349 176.300 0.257 0.000 1.297 110 D CA 1.796 55.986 54.000 0.316 0.000 0.906 110 D CB 0.685 41.707 40.800 0.370 0.000 1.164 110 D HN -0.300 8.129 8.370 0.099 0.000 0.469 111 L N -3.225 118.191 121.223 0.322 0.000 2.286 111 L HA 0.248 4.701 4.340 0.188 0.000 0.265 111 L C -0.558 176.464 176.870 0.254 0.000 1.012 111 L CA -0.962 54.036 54.840 0.263 0.000 0.818 111 L CB 2.698 44.902 42.059 0.241 0.000 1.337 111 L HN -0.424 8.080 8.230 0.457 0.000 0.438 112 S N -0.894 114.947 115.700 0.235 0.000 2.532 112 S HA 0.574 5.015 4.470 -0.267 -0.131 0.299 112 S C -1.133 173.637 174.600 0.282 0.000 1.105 112 S CA -0.535 57.680 58.200 0.024 0.000 1.018 112 S CB 2.225 65.391 63.200 -0.057 0.000 1.021 112 S HN 0.271 8.743 8.310 0.269 0.000 0.483 113 F N -1.035 119.049 119.950 0.223 0.000 3.215 113 F HA 0.381 5.100 4.527 0.242 -0.047 0.326 113 F C -2.738 173.203 175.800 0.235 0.000 1.189 113 F CA -1.543 56.628 58.000 0.284 0.000 0.905 113 F CB 1.139 40.430 39.000 0.485 0.000 1.485 113 F HN 0.016 7.873 8.300 -0.739 0.000 0.508 114 H N -1.198 118.140 119.070 0.446 0.000 2.928 114 H HA 0.237 4.902 4.556 0.181 0.000 0.371 114 H C -1.772 173.736 175.328 0.300 0.000 1.186 114 H CA -1.108 55.097 56.048 0.260 0.000 1.134 114 H CB 4.275 34.120 29.762 0.139 0.000 1.824 114 H HN -0.083 8.772 8.280 0.665 -0.175 0.554 115 K N 0.831 121.436 120.400 0.342 0.000 2.477 115 K HA -0.552 4.065 4.320 0.148 -0.208 0.275 115 K C 1.064 177.743 176.600 0.132 0.000 1.054 115 K CA 2.137 58.538 56.287 0.189 0.000 1.135 115 K CB -0.410 32.161 32.500 0.117 0.000 0.854 115 K HN 0.260 8.686 8.250 0.294 0.000 0.484 116 G N 5.450 114.275 108.800 0.041 0.000 2.192 116 G HA2 -0.376 3.550 3.960 -0.055 0.000 0.193 116 G HA3 -0.376 3.584 3.960 0.001 0.000 0.193 116 G C -1.304 173.543 174.900 -0.088 0.000 0.999 116 G CA -0.438 44.648 45.100 -0.023 0.000 0.659 116 G HN 0.425 8.728 8.290 0.022 0.000 0.503 117 E N 1.758 121.880 120.200 -0.131 0.000 2.289 117 E HA 0.070 4.249 4.350 -0.286 0.000 0.278 117 E C -0.575 175.557 176.600 -0.780 0.000 1.032 117 E CA -0.972 55.178 56.400 -0.417 0.000 0.854 117 E CB 0.973 30.410 29.700 -0.438 0.000 1.046 117 E HN -0.489 7.815 8.360 -0.010 0.050 0.409 118 K N 2.959 122.962 120.400 -0.663 0.000 2.126 118 K HA 0.142 4.239 4.320 -0.373 0.000 0.257 118 K C -0.605 175.530 176.600 -0.775 0.000 1.007 118 K CA -0.544 55.433 56.287 -0.515 0.000 0.928 118 K CB 1.052 33.410 32.500 -0.236 0.000 1.013 118 K HN 0.295 8.257 8.250 -0.480 0.000 0.473 119 F N -1.737 118.197 119.950 -0.026 0.000 2.628 119 F HA 0.195 4.820 4.527 -0.053 -0.130 0.309 119 F C -1.595 174.238 175.800 0.056 0.000 1.108 119 F CA -1.542 56.439 58.000 -0.031 0.000 0.971 119 F CB 4.435 43.372 39.000 -0.105 0.000 1.279 119 F HN -0.114 8.185 8.300 -0.002 0.000 0.441 120 Q N 2.633 122.591 119.800 0.264 0.000 2.431 120 Q HA 0.365 4.834 4.340 0.216 0.000 0.249 120 Q C -1.304 174.763 176.000 0.112 0.000 1.025 120 Q CA -1.340 54.568 55.803 0.175 0.000 0.835 120 Q CB 1.815 30.619 28.738 0.111 0.000 1.207 120 Q HN 0.042 8.539 8.270 0.276 -0.062 0.490 121 I N 4.568 125.200 120.570 0.104 0.000 2.533 121 I HA -0.171 4.177 4.170 -0.013 -0.186 0.284 121 I C -0.035 176.064 176.117 -0.030 0.000 1.109 121 I CA -0.675 60.617 61.300 -0.012 0.000 1.412 121 I CB -0.834 37.072 38.000 -0.156 0.000 1.396 121 I HN 0.460 8.789 8.210 0.197 0.000 0.543 122 L N 4.965 126.160 121.223 -0.047 0.000 2.470 122 L HA 0.194 4.515 4.340 -0.031 0.000 0.219 122 L C 0.673 177.499 176.870 -0.073 0.000 1.071 122 L CA 0.508 55.320 54.840 -0.045 0.000 0.850 122 L CB 1.030 43.068 42.059 -0.036 0.000 1.040 122 L HN 0.311 8.511 8.230 -0.050 0.000 0.475 123 N N -2.169 116.478 118.700 -0.088 0.000 2.406 123 N HA 0.237 4.888 4.740 -0.149 0.000 0.283 123 N C -1.794 173.606 175.510 -0.183 0.000 1.074 123 N CA 0.485 53.468 53.050 -0.113 0.000 0.916 123 N CB 3.497 41.968 38.487 -0.027 0.000 1.639 123 N HN -0.801 7.537 8.380 -0.070 0.000 0.485 124 S N 1.968 117.415 115.700 -0.422 0.000 2.960 124 S HA 0.264 4.424 4.470 -0.516 0.000 0.256 124 S C -0.711 173.566 174.600 -0.539 0.000 1.017 124 S CA -0.126 57.511 58.200 -0.939 0.000 1.144 124 S CB 1.192 62.927 63.200 -2.441 0.000 1.109 124 S HN 0.338 8.419 8.310 -0.382 0.000 0.638 125 S N 0.387 115.941 115.700 -0.244 0.000 2.537 125 S HA 0.015 4.430 4.470 -0.091 0.000 0.246 125 S C -0.598 174.002 174.600 -0.000 0.000 1.036 125 S CA 0.572 58.709 58.200 -0.105 0.000 1.041 125 S CB -0.043 63.094 63.200 -0.104 0.000 0.799 125 S HN -0.632 7.704 8.310 -0.210 -0.151 0.456 126 E N 0.041 120.279 120.200 0.062 0.000 3.575 126 E HA 0.192 4.579 4.350 0.061 0.000 0.201 126 E C -0.850 175.836 176.600 0.144 0.000 0.999 126 E CA -0.945 55.510 56.400 0.091 0.000 1.315 126 E CB 0.111 29.867 29.700 0.093 0.000 1.146 126 E HN 0.019 8.343 8.360 0.083 0.086 0.453 127 G N 0.218 109.125 108.800 0.178 0.000 2.357 127 G HA2 -0.183 3.867 3.960 0.150 0.000 0.643 127 G HA3 -0.183 3.890 3.960 0.188 0.000 0.643 127 G C -1.828 173.266 174.900 0.324 0.000 1.358 127 G CA -0.622 44.601 45.100 0.205 0.000 0.986 127 G HN -0.608 7.780 8.290 0.163 0.000 0.620 128 D N -2.172 118.396 120.400 0.281 0.000 2.309 128 D HA -0.136 4.658 4.640 0.258 0.000 0.212 128 D C -0.945 175.421 176.300 0.111 0.000 0.968 128 D CA 1.792 55.932 54.000 0.233 0.000 0.882 128 D CB 0.374 41.278 40.800 0.173 0.000 0.918 128 D HN 0.173 8.678 8.370 0.225 0.000 0.503 129 W N -3.533 117.773 121.300 0.010 0.000 2.417 129 W HA 0.020 4.499 4.660 -0.301 0.000 0.317 129 W C -0.100 176.589 176.519 0.284 0.000 1.121 129 W CA 0.022 57.336 57.345 -0.051 0.000 1.208 129 W CB 1.522 30.980 29.460 -0.004 0.000 1.253 129 W HN -0.841 7.590 8.180 0.508 0.054 0.533 130 W N 1.334 122.708 121.300 0.123 0.000 2.647 130 W HA 0.441 5.238 4.660 0.111 -0.071 0.353 130 W C -1.064 175.488 176.519 0.056 0.000 1.080 130 W CA -3.601 53.779 57.345 0.058 0.000 1.208 130 W CB 2.072 31.461 29.460 -0.117 0.000 1.396 130 W HN 0.207 8.295 8.180 -0.152 0.000 0.573 131 E N -0.695 119.616 120.200 0.185 0.000 2.089 131 E HA 0.666 4.956 4.350 -0.420 -0.193 0.284 131 E C -1.167 175.341 176.600 -0.153 0.000 1.023 131 E CA -1.178 55.092 56.400 -0.217 0.000 0.819 131 E CB 0.230 29.703 29.700 -0.378 0.000 1.076 131 E HN 0.148 8.628 8.360 0.201 0.000 0.396 132 A N 4.749 127.446 122.820 -0.205 0.000 2.354 132 A HA 0.603 5.069 4.320 -0.069 -0.188 0.321 132 A C -2.112 175.389 177.584 -0.138 0.000 1.125 132 A CA -2.185 49.755 52.037 -0.161 0.000 0.799 132 A CB 3.922 22.741 19.000 -0.302 0.000 1.293 132 A HN 0.241 8.235 8.150 -0.259 0.000 0.452 133 R N 0.835 121.340 120.500 0.008 0.000 2.439 133 R HA 0.622 5.105 4.340 0.020 -0.130 0.310 133 R C -0.401 176.029 176.300 0.218 0.000 0.955 133 R CA -1.785 54.353 56.100 0.064 0.000 0.853 133 R CB 3.104 33.427 30.300 0.039 0.000 1.171 133 R HN -0.088 8.191 8.270 0.065 0.031 0.449 134 S N 7.046 122.913 115.700 0.278 0.000 2.515 134 S HA 0.046 4.930 4.470 0.435 -0.154 0.285 134 S C 0.837 175.518 174.600 0.136 0.000 1.265 134 S CA -0.035 58.356 58.200 0.319 0.000 1.079 134 S CB 0.284 63.677 63.200 0.321 0.000 0.877 134 S HN 0.324 8.756 8.310 0.203 0.000 0.493 135 L N 4.739 126.004 121.223 0.071 0.000 2.599 135 L HA -0.042 4.326 4.340 0.047 0.000 0.230 135 L C 0.483 177.364 176.870 0.018 0.000 1.141 135 L CA 2.594 57.455 54.840 0.035 0.000 0.877 135 L CB -0.326 41.740 42.059 0.012 0.000 1.009 135 L HN 0.605 8.858 8.230 0.039 0.000 0.447 136 T N -2.554 112.012 114.554 0.019 0.000 3.056 136 T HA -0.036 4.319 4.350 0.008 0.000 0.241 136 T C 0.880 175.604 174.700 0.040 0.000 1.006 136 T CA 2.552 64.662 62.100 0.016 0.000 1.115 136 T CB -0.171 68.696 68.868 -0.001 0.000 0.939 136 T HN 0.022 8.192 8.240 0.029 0.087 0.462 137 T N -1.843 112.751 114.554 0.066 0.000 3.010 137 T HA 0.087 4.473 4.350 0.059 0.000 0.252 137 T C 1.145 175.884 174.700 0.065 0.000 1.047 137 T CA 0.010 62.153 62.100 0.073 0.000 1.140 137 T CB 0.367 69.297 68.868 0.104 0.000 0.885 137 T HN -0.652 7.637 8.240 0.082 0.000 0.464 138 G N 1.661 110.504 108.800 0.071 0.000 2.176 138 G HA2 -0.414 3.630 3.960 0.054 0.000 0.232 138 G HA3 -0.414 3.574 3.960 0.046 0.000 0.232 138 G C -1.253 173.683 174.900 0.059 0.000 0.986 138 G CA -0.032 45.102 45.100 0.057 0.000 0.643 138 G HN -0.247 8.095 8.290 0.087 0.000 0.522 139 E N -0.100 120.146 120.200 0.076 0.000 2.319 139 E HA 0.136 4.518 4.350 0.052 0.000 0.268 139 E C -1.272 175.362 176.600 0.057 0.000 1.050 139 E CA -1.128 55.313 56.400 0.068 0.000 0.878 139 E CB 1.130 30.880 29.700 0.084 0.000 1.066 139 E HN -0.624 7.726 8.360 0.094 0.067 0.406 140 T N 2.081 116.648 114.554 0.022 0.000 2.887 140 T HA 0.561 5.023 4.350 -0.035 -0.133 0.288 140 T C -0.508 174.148 174.700 -0.073 0.000 1.021 140 T CA -1.428 60.651 62.100 -0.036 0.000 1.000 140 T CB 3.082 71.916 68.868 -0.057 0.000 1.034 140 T HN 0.095 8.351 8.240 0.025 0.000 0.467 141 G N 0.997 109.694 108.800 -0.172 0.000 2.588 141 G HA2 0.471 4.328 3.960 -0.172 0.000 0.281 141 G HA3 0.471 4.454 3.960 0.038 0.000 0.281 141 G C -3.162 171.483 174.900 -0.426 0.000 1.223 141 G CA 0.596 45.595 45.100 -0.169 0.000 0.871 141 G HN 0.421 8.587 8.290 -0.207 0.000 0.492 142 Y N -1.972 118.415 120.300 0.144 0.000 2.425 142 Y HA 0.787 5.622 4.550 0.165 -0.186 0.344 142 Y C -0.826 175.299 175.900 0.376 0.000 0.969 142 Y CA -1.066 57.180 58.100 0.243 0.000 1.052 142 Y CB 3.433 42.073 38.460 0.300 0.000 1.215 142 Y HN -0.641 7.899 8.280 0.433 0.000 0.451 143 I N -5.709 115.014 120.570 0.254 0.000 3.074 143 I HA 0.628 4.853 4.170 0.092 0.000 0.310 143 I C -2.558 172.928 176.117 -1.051 0.000 1.153 143 I CA -3.968 57.226 61.300 -0.177 0.000 0.993 143 I CB 2.985 40.876 38.000 -0.183 0.000 1.237 143 I HN 0.631 8.927 8.210 0.144 0.000 0.443 144 P HA 0.095 2.854 4.420 -2.770 0.000 0.262 144 P C 0.501 177.136 177.300 -1.108 0.000 1.199 144 P CA 0.107 62.067 63.100 -1.899 0.000 0.763 144 P CB -0.251 30.501 31.700 -1.580 0.000 0.790 145 S N 6.068 120.999 115.700 -1.282 0.000 2.423 145 S HA -0.351 3.236 4.470 -1.472 0.000 0.231 145 S C 1.014 175.117 174.600 -0.828 0.000 1.014 145 S CA 3.622 60.889 58.200 -1.555 0.000 0.965 145 S CB -0.550 60.952 63.200 -2.830 0.000 0.785 145 S HN 0.022 7.496 8.310 -1.394 0.000 0.495 146 N N -1.189 117.199 118.700 -0.520 0.000 2.521 146 N HA -0.146 4.515 4.740 -0.131 0.000 0.188 146 N C -0.456 175.155 175.510 0.168 0.000 1.146 146 N CA 1.214 54.183 53.050 -0.135 0.000 0.893 146 N CB -1.433 37.013 38.487 -0.068 0.000 0.975 146 N HN 0.203 8.173 8.380 -0.639 0.027 0.451 147 Y N -1.844 118.324 120.300 -0.220 0.000 2.507 147 Y HA 0.146 4.804 4.550 0.181 0.000 0.254 147 Y C -1.784 174.134 175.900 0.030 0.000 1.171 147 Y CA -1.258 56.848 58.100 0.010 0.000 1.238 147 Y CB 0.581 39.051 38.460 0.016 0.000 1.148 147 Y HN -0.456 7.546 8.280 -0.115 0.209 0.525 148 V N -4.881 115.085 119.914 0.088 0.000 2.962 148 V HA 1.162 5.661 4.120 0.172 -0.276 0.313 148 V C -1.572 174.692 176.094 0.284 0.000 1.099 148 V CA -4.380 58.020 62.300 0.167 0.000 0.971 148 V CB 3.950 35.865 31.823 0.154 0.000 1.028 148 V HN -0.772 7.343 8.190 -0.020 0.063 0.430 149 A N 0.339 123.390 122.820 0.384 0.000 2.572 149 A HA 0.556 5.225 4.320 0.583 0.000 0.295 149 A C -3.147 174.451 177.584 0.024 0.000 1.072 149 A CA -2.516 49.743 52.037 0.369 0.000 0.691 149 A CB 2.338 21.409 19.000 0.118 0.000 1.291 149 A HN 0.029 8.363 8.150 0.307 0.000 0.404 150 P HA 0.085 3.524 4.420 -2.004 -0.221 0.259 150 P C -0.813 176.223 177.300 -0.440 0.000 1.211 150 P CA -0.693 61.812 63.100 -0.991 0.000 0.810 150 P CB -0.572 30.765 31.700 -0.605 0.000 0.815 151 V N 0.000 119.682 119.914 -0.387 0.000 0.000 151 V HA 0.000 4.026 4.120 -0.156 0.000 0.000 151 V CA 0.000 62.179 62.300 -0.202 0.000 0.000 151 V CB 0.000 31.730 31.823 -0.155 0.000 0.000 151 V HN 0.000 7.891 8.190 -0.499 0.000 0.000