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 1w0u_1_B DATA FIRST_RESID 446 DATA SEQUENCE KKQKWTVEES EWVKAGVQKY GEGNWAAISK NYPFVNRTAV MIKDRWRTMK DATA SEQUENCE RLGMN 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 446 K HA 0.000 nan 4.320 nan 0.000 0.191 446 K C 0.000 176.600 176.600 0.000 0.000 0.988 446 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 446 K CB 0.000 32.500 32.500 0.000 0.000 1.064 447 K N 1.720 122.117 120.400 -0.004 0.000 2.687 447 K HA 0.290 4.610 4.320 -0.000 0.000 0.249 447 K C -1.289 175.300 176.600 -0.018 0.000 0.994 447 K CA -0.139 56.149 56.287 0.002 0.000 0.913 447 K CB 1.110 33.617 32.500 0.012 0.000 1.202 447 K HN -0.027 nan 8.250 nan 0.000 0.460 448 Q N 4.129 123.902 119.800 -0.046 0.000 2.509 448 Q HA 0.196 4.536 4.340 -0.000 0.000 0.230 448 Q C -0.632 175.294 176.000 -0.123 0.000 1.089 448 Q CA -0.831 54.904 55.803 -0.113 0.000 0.901 448 Q CB 1.126 29.740 28.738 -0.206 0.000 1.208 448 Q HN 0.170 nan 8.270 nan 0.000 0.529 449 K N 1.461 121.838 120.400 -0.038 0.000 2.448 449 K HA -0.008 4.312 4.320 -0.000 0.000 0.278 449 K C -0.452 176.157 176.600 0.015 0.000 1.009 449 K CA 0.228 56.543 56.287 0.047 0.000 0.995 449 K CB 0.362 32.890 32.500 0.047 0.000 0.917 449 K HN 0.405 nan 8.250 nan 0.000 0.481 450 W N 2.112 123.417 121.300 0.008 0.000 2.303 450 W HA 0.009 4.669 4.660 -0.000 0.000 0.318 450 W C 1.263 177.780 176.519 -0.003 0.000 1.362 450 W CA -0.003 57.352 57.345 0.017 0.000 1.234 450 W CB 0.060 29.535 29.460 0.025 0.000 1.248 450 W HN 0.512 nan 8.180 nan 0.000 0.546 451 T N -0.732 113.896 114.554 0.124 0.000 2.849 451 T HA 0.180 4.530 4.350 -0.000 0.000 0.284 451 T C 0.939 175.659 174.700 0.034 0.000 1.004 451 T CA -0.836 61.287 62.100 0.038 0.000 1.021 451 T CB 1.205 70.043 68.868 -0.050 0.000 1.013 451 T HN 0.229 nan 8.240 nan 0.000 0.527 452 V N 1.100 121.002 119.914 -0.020 0.000 2.332 452 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 452 V C 2.828 178.837 176.094 -0.142 0.000 1.055 452 V CA 2.384 64.657 62.300 -0.044 0.000 1.038 452 V CB -1.072 30.723 31.823 -0.048 0.000 0.651 452 V HN 1.081 nan 8.190 nan 0.000 0.450 453 E N 0.192 120.242 120.200 -0.251 0.000 2.038 453 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 453 E C 2.205 178.269 176.600 -0.894 0.000 1.000 453 E CA 1.789 57.860 56.400 -0.548 0.000 0.803 453 E CB -0.131 29.235 29.700 -0.556 0.000 0.750 453 E HN 0.709 nan 8.360 nan 0.000 0.448 454 E N 0.001 119.873 120.200 -0.546 0.000 2.085 454 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 454 E C 2.269 179.005 176.600 0.227 0.000 0.994 454 E CA 1.309 57.628 56.400 -0.135 0.000 0.801 454 E CB -0.018 29.851 29.700 0.282 0.000 0.743 454 E HN 0.168 nan 8.360 nan 0.000 0.453 455 S N 0.956 116.761 115.700 0.175 0.000 2.402 455 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 455 S C 1.740 176.405 174.600 0.107 0.000 1.021 455 S CA 0.922 59.239 58.200 0.194 0.000 0.974 455 S CB -0.144 63.133 63.200 0.129 0.000 0.800 455 S HN 0.284 nan 8.310 nan 0.000 0.484 456 E N 0.073 120.244 120.200 -0.048 0.000 2.106 456 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 456 E C 1.669 178.279 176.600 0.017 0.000 0.984 456 E CA 0.914 57.288 56.400 -0.043 0.000 0.806 456 E CB -0.087 29.533 29.700 -0.132 0.000 0.750 456 E HN 0.585 nan 8.360 nan 0.000 0.458 457 W N 0.473 121.737 121.300 -0.060 0.000 2.388 457 W HA -0.075 4.585 4.660 -0.000 0.000 0.294 457 W C 2.170 178.486 176.519 -0.338 0.000 1.212 457 W CA 0.292 57.418 57.345 -0.365 0.000 1.271 457 W CB -1.046 28.116 29.460 -0.496 0.000 1.126 457 W HN -0.054 nan 8.180 nan 0.000 0.535 458 V N 0.811 120.917 119.914 0.320 0.000 2.295 458 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 458 V C 2.409 178.501 176.094 -0.003 0.000 1.049 458 V CA 2.351 64.800 62.300 0.248 0.000 1.024 458 V CB -0.930 31.058 31.823 0.274 0.000 0.648 458 V HN 0.081 nan 8.190 nan 0.000 0.447 459 K N 0.275 120.723 120.400 0.081 0.000 2.057 459 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 459 K C 2.182 178.742 176.600 -0.066 0.000 1.049 459 K CA 1.526 57.839 56.287 0.043 0.000 0.931 459 K CB -0.363 32.284 32.500 0.245 0.000 0.714 459 K HN 0.414 nan 8.250 nan 0.000 0.440 460 A N 0.642 123.432 122.820 -0.049 0.000 1.933 460 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 460 A C 2.334 179.903 177.584 -0.025 0.000 1.175 460 A CA 1.864 53.892 52.037 -0.015 0.000 0.628 460 A CB -1.159 17.875 19.000 0.057 0.000 0.814 460 A HN 0.559 nan 8.150 nan 0.000 0.444 461 G N -0.716 107.972 108.800 -0.187 0.000 2.402 461 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.216 461 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.216 461 G C 1.473 176.393 174.900 0.033 0.000 1.162 461 G CA 1.181 46.345 45.100 0.107 0.000 0.777 461 G HN 0.317 nan 8.290 nan 0.000 0.539 462 V N 0.441 120.215 119.914 -0.234 0.000 2.427 462 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 462 V C 2.838 178.806 176.094 -0.211 0.000 1.051 462 V CA 1.977 64.039 62.300 -0.396 0.000 1.048 462 V CB -0.462 30.761 31.823 -0.999 0.000 0.666 462 V HN 0.416 nan 8.190 nan 0.000 0.456 463 Q N -0.283 119.433 119.800 -0.140 0.000 2.167 463 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 463 Q C 2.310 178.260 176.000 -0.084 0.000 0.970 463 Q CA 1.510 57.273 55.803 -0.066 0.000 0.855 463 Q CB -0.110 28.617 28.738 -0.017 0.000 0.911 463 Q HN 0.584 nan 8.270 nan 0.000 0.438 464 K N -0.412 119.923 120.400 -0.108 0.000 2.098 464 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 464 K C 0.929 177.289 176.600 -0.400 0.000 1.051 464 K CA 0.941 57.066 56.287 -0.270 0.000 0.957 464 K CB 0.264 32.546 32.500 -0.364 0.000 0.738 464 K HN 0.141 nan 8.250 nan 0.000 0.447 465 Y N -0.361 119.908 120.300 -0.051 0.000 2.462 465 Y HA 0.304 4.854 4.550 -0.000 0.000 0.253 465 Y C 0.670 176.475 175.900 -0.159 0.000 1.095 465 Y CA 0.300 58.343 58.100 -0.094 0.000 1.283 465 Y CB 1.258 39.663 38.460 -0.092 0.000 1.138 465 Y HN 0.260 nan 8.280 nan 0.000 0.522 466 G N 1.176 109.938 108.800 -0.064 0.000 2.699 466 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 466 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 466 G C -0.696 174.024 174.900 -0.301 0.000 1.301 466 G CA -0.953 44.065 45.100 -0.137 0.000 0.816 466 G HN 0.161 nan 8.290 nan 0.000 0.595 467 E N 0.042 120.072 120.200 -0.283 0.000 2.398 467 E HA 0.409 4.759 4.350 -0.000 0.000 0.263 467 E C 1.428 177.677 176.600 -0.585 0.000 1.046 467 E CA 0.999 57.137 56.400 -0.436 0.000 0.908 467 E CB 0.763 30.448 29.700 -0.025 0.000 0.963 467 E HN 2.147 nan 8.360 nan 0.000 0.431 468 G N 2.928 111.038 108.800 -1.150 0.000 2.268 468 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.240 468 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.240 468 G C 0.550 174.809 174.900 -1.068 0.000 1.010 468 G CA -0.143 44.409 45.100 -0.912 0.000 0.618 468 G HN 0.531 nan 8.290 nan 0.000 0.516 469 N N 0.949 119.078 118.700 -0.952 0.000 3.091 469 N HA 0.227 4.967 4.740 -0.000 0.000 0.301 469 N C 1.208 176.419 175.510 -0.499 0.000 1.325 469 N CA -0.029 52.691 53.050 -0.550 0.000 1.143 469 N CB -0.498 37.785 38.487 -0.341 0.000 1.450 469 N HN 0.690 nan 8.380 nan 0.000 0.542 470 W N 0.538 121.799 121.300 -0.065 0.000 2.363 470 W HA -0.110 4.550 4.660 -0.000 0.000 0.296 470 W C 2.234 178.710 176.519 -0.072 0.000 1.212 470 W CA 0.522 57.828 57.345 -0.064 0.000 1.260 470 W CB -0.181 29.250 29.460 -0.047 0.000 1.131 470 W HN 0.267 nan 8.180 nan 0.000 0.530 471 A N 0.927 123.796 122.820 0.083 0.000 1.902 471 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 471 A C 2.104 179.649 177.584 -0.065 0.000 1.181 471 A CA 2.300 54.349 52.037 0.020 0.000 0.623 471 A CB -1.224 17.772 19.000 -0.007 0.000 0.818 471 A HN 0.219 nan 8.150 nan 0.000 0.443 472 A N -0.100 122.594 122.820 -0.210 0.000 1.902 472 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 472 A C 2.116 179.474 177.584 -0.377 0.000 1.181 472 A CA 1.509 53.269 52.037 -0.461 0.000 0.623 472 A CB -0.573 17.888 19.000 -0.898 0.000 0.818 472 A HN 0.501 nan 8.150 nan 0.000 0.443 473 I N -0.761 119.732 120.570 -0.129 0.000 2.252 473 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 473 I C 2.833 179.235 176.117 0.476 0.000 1.102 473 I CA 1.450 62.929 61.300 0.299 0.000 1.385 473 I CB -0.260 37.944 38.000 0.341 0.000 1.064 473 I HN 0.423 nan 8.210 nan 0.000 0.414 474 S N 0.799 116.661 115.700 0.271 0.000 2.370 474 S HA -0.274 4.196 4.470 -0.000 0.000 0.226 474 S C 2.145 176.915 174.600 0.283 0.000 1.033 474 S CA 1.815 60.178 58.200 0.270 0.000 1.011 474 S CB -0.188 63.072 63.200 0.100 0.000 0.852 474 S HN 0.362 nan 8.310 nan 0.000 0.457 475 K N 0.733 121.209 120.400 0.126 0.000 2.103 475 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 475 K C 2.202 178.800 176.600 -0.003 0.000 1.052 475 K CA 1.189 57.503 56.287 0.044 0.000 0.945 475 K CB -0.304 32.182 32.500 -0.023 0.000 0.722 475 K HN 0.454 nan 8.250 nan 0.000 0.443 476 N N -0.633 118.058 118.700 -0.016 0.000 2.409 476 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 476 N C -0.549 174.623 175.510 -0.563 0.000 1.032 476 N CA 0.440 53.349 53.050 -0.234 0.000 0.898 476 N CB 0.329 38.708 38.487 -0.180 0.000 0.971 476 N HN 0.055 nan 8.380 nan 0.000 0.441 477 Y N 0.243 120.473 120.300 -0.117 0.000 2.487 477 Y HA 0.383 4.933 4.550 -0.000 0.000 0.337 477 Y C -1.791 173.686 175.900 -0.705 0.000 1.076 477 Y CA -2.352 55.401 58.100 -0.578 0.000 1.115 477 Y CB 1.353 39.347 38.460 -0.777 0.000 1.235 477 Y HN 0.012 nan 8.280 nan 0.000 0.468 478 P HA 0.047 nan 4.420 nan 0.000 0.228 478 P C -0.783 176.201 177.300 -0.527 0.000 1.748 478 P CA 0.190 62.889 63.100 -0.669 0.000 0.909 478 P CB -0.922 30.415 31.700 -0.605 0.000 1.882 479 F N 0.111 119.986 119.950 -0.126 0.000 2.553 479 F HA 0.072 4.598 4.527 -0.000 0.000 0.356 479 F C 1.291 177.136 175.800 0.075 0.000 1.142 479 F CA -0.034 58.043 58.000 0.128 0.000 1.322 479 F CB 0.537 39.644 39.000 0.178 0.000 1.126 479 F HN -0.134 nan 8.300 nan 0.000 0.599 480 V N 3.338 123.429 119.914 0.295 0.000 2.409 480 V HA 0.226 4.346 4.120 -0.000 0.000 0.291 480 V C -0.203 175.942 176.094 0.085 0.000 1.020 480 V CA -1.216 61.171 62.300 0.145 0.000 0.848 480 V CB 1.222 33.112 31.823 0.111 0.000 0.990 480 V HN 0.880 nan 8.190 nan 0.000 0.430 481 N N 3.543 122.276 118.700 0.056 0.000 2.735 481 N HA -0.174 4.565 4.740 -0.000 0.000 0.248 481 N C -0.024 175.478 175.510 -0.012 0.000 1.083 481 N CA 0.844 53.902 53.050 0.013 0.000 0.703 481 N CB -0.585 37.893 38.487 -0.015 0.000 1.005 481 N HN 0.705 nan 8.380 nan 0.000 0.550 482 R N -0.066 120.446 120.500 0.020 0.000 2.670 482 R HA 0.545 4.885 4.340 -0.000 0.000 0.289 482 R C 0.612 176.902 176.300 -0.017 0.000 0.965 482 R CA -0.526 55.556 56.100 -0.031 0.000 0.899 482 R CB 1.747 31.992 30.300 -0.091 0.000 1.173 482 R HN 0.210 nan 8.270 nan 0.000 0.456 483 T N -2.337 112.208 114.554 -0.015 0.000 2.948 483 T HA 0.449 4.798 4.350 -0.000 0.000 0.285 483 T C 1.265 175.949 174.700 -0.026 0.000 1.019 483 T CA -0.342 61.754 62.100 -0.007 0.000 1.013 483 T CB 1.861 70.731 68.868 0.004 0.000 1.117 483 T HN 0.527 nan 8.240 nan 0.000 0.533 484 A N 0.653 123.475 122.820 0.003 0.000 1.972 484 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 484 A C 2.265 179.814 177.584 -0.058 0.000 1.169 484 A CA 1.564 53.623 52.037 0.037 0.000 0.635 484 A CB -1.227 17.849 19.000 0.125 0.000 0.810 484 A HN 0.721 nan 8.150 nan 0.000 0.446 485 V N -0.140 119.739 119.914 -0.059 0.000 2.358 485 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 485 V C 2.611 178.609 176.094 -0.160 0.000 1.047 485 V CA 2.186 64.411 62.300 -0.124 0.000 1.035 485 V CB -0.707 31.084 31.823 -0.054 0.000 0.658 485 V HN 0.583 nan 8.190 nan 0.000 0.452 486 M N -0.799 118.771 119.600 -0.049 0.000 2.159 486 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 486 M C 2.163 178.460 176.300 -0.005 0.000 1.063 486 M CA 1.992 57.333 55.300 0.069 0.000 1.110 486 M CB -0.490 32.245 32.600 0.225 0.000 1.374 486 M HN 0.266 nan 8.290 nan 0.000 0.411 487 I N 0.009 120.513 120.570 -0.109 0.000 2.226 487 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 487 I C 2.714 178.455 176.117 -0.627 0.000 1.100 487 I CA 1.042 62.178 61.300 -0.274 0.000 1.374 487 I CB -0.535 37.352 38.000 -0.189 0.000 1.057 487 I HN 0.280 nan 8.210 nan 0.000 0.413 488 K N 1.099 120.913 120.400 -0.977 0.000 2.032 488 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 488 K C 1.539 177.691 176.600 -0.747 0.000 1.048 488 K CA 1.992 57.309 56.287 -1.617 0.000 0.927 488 K CB -0.381 31.211 32.500 -1.513 0.000 0.712 488 K HN 0.250 nan 8.250 nan 0.000 0.441 489 D N 0.358 120.472 120.400 -0.477 0.000 2.144 489 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 489 D C 2.117 178.193 176.300 -0.372 0.000 0.984 489 D CA 0.925 54.737 54.000 -0.313 0.000 0.834 489 D CB -0.081 40.609 40.800 -0.183 0.000 0.955 489 D HN 0.149 nan 8.370 nan 0.000 0.465 490 R N 0.302 120.461 120.500 -0.568 0.000 2.092 490 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 490 R C 2.147 178.207 176.300 -0.399 0.000 1.119 490 R CA 1.042 56.666 56.100 -0.793 0.000 0.970 490 R CB -0.976 28.286 30.300 -1.729 0.000 0.864 490 R HN 0.367 nan 8.270 nan 0.000 0.440 491 W N 1.253 122.267 121.300 -0.477 0.000 2.388 491 W HA -0.199 4.461 4.660 -0.000 0.000 0.294 491 W C 1.856 178.269 176.519 -0.176 0.000 1.212 491 W CA 1.490 58.691 57.345 -0.240 0.000 1.271 491 W CB -0.134 29.272 29.460 -0.091 0.000 1.126 491 W HN 0.205 nan 8.180 nan 0.000 0.535 492 R N 0.099 120.485 120.500 -0.190 0.000 2.091 492 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 492 R C 2.139 178.275 176.300 -0.272 0.000 1.136 492 R CA 2.478 58.444 56.100 -0.223 0.000 0.959 492 R CB -0.719 29.491 30.300 -0.150 0.000 0.856 492 R HN -0.057 nan 8.270 nan 0.000 0.437 493 T N 0.859 115.253 114.554 -0.267 0.000 2.777 493 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 493 T C 1.801 176.341 174.700 -0.267 0.000 1.040 493 T CA 1.675 63.632 62.100 -0.238 0.000 1.141 493 T CB -0.096 68.631 68.868 -0.234 0.000 0.868 493 T HN 0.246 nan 8.240 nan 0.000 0.444 494 M N 0.601 119.999 119.600 -0.336 0.000 2.117 494 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 494 M C 2.339 178.369 176.300 -0.450 0.000 1.065 494 M CA 1.613 56.701 55.300 -0.354 0.000 1.114 494 M CB -0.310 32.089 32.600 -0.336 0.000 1.361 494 M HN 0.127 nan 8.290 nan 0.000 0.408 495 K N -0.200 119.824 120.400 -0.627 0.000 2.057 495 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 495 K C 2.021 178.448 176.600 -0.289 0.000 1.050 495 K CA 1.126 57.103 56.287 -0.518 0.000 0.935 495 K CB -0.165 32.002 32.500 -0.555 0.000 0.715 495 K HN 0.346 nan 8.250 nan 0.000 0.439 496 R N 0.644 120.998 120.500 -0.244 0.000 2.120 496 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 496 R C 1.956 178.176 176.300 -0.134 0.000 1.123 496 R CA 0.927 56.931 56.100 -0.160 0.000 0.975 496 R CB -0.170 30.048 30.300 -0.136 0.000 0.866 496 R HN 0.184 nan 8.270 nan 0.000 0.446 497 L N -0.463 120.670 121.223 -0.151 0.000 2.592 497 L HA 0.184 4.524 4.340 -0.000 0.000 0.227 497 L C 1.043 177.850 176.870 -0.106 0.000 1.127 497 L CA 0.267 55.039 54.840 -0.113 0.000 0.884 497 L CB 0.239 42.235 42.059 -0.104 0.000 1.065 497 L HN 0.408 nan 8.230 nan 0.000 0.457 498 G N 0.175 108.896 108.800 -0.133 0.000 2.153 498 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.252 498 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.252 498 G C 0.732 175.572 174.900 -0.099 0.000 0.994 498 G CA 0.553 45.587 45.100 -0.110 0.000 0.698 498 G HN 0.370 nan 8.290 nan 0.000 0.521 499 M N 0.288 119.811 119.600 -0.128 0.000 2.556 499 M HA 0.119 4.599 4.480 -0.000 0.000 0.245 499 M C 1.503 177.764 176.300 -0.065 0.000 1.128 499 M CA 0.765 56.016 55.300 -0.082 0.000 1.069 499 M CB -0.222 32.335 32.600 -0.073 0.000 1.469 499 M HN 0.619 nan 8.290 nan 0.000 0.494 500 N N 0.000 118.601 118.700 -0.165 0.000 1.763 500 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 500 N CA 0.000 53.003 53.050 -0.078 0.000 0.885 500 N CB 0.000 38.235 38.487 -0.420 0.000 1.341 500 N HN 0.000 nan 8.380 nan 0.000 0.667