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_A 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 0.000 176.602 176.600 0.003 0.000 0.988 446 K CA 0.000 56.288 56.287 0.001 0.000 0.838 446 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 447 K N 2.368 122.773 120.400 0.008 0.000 2.205 447 K HA 0.246 4.566 4.320 -0.000 0.000 0.279 447 K C -0.320 176.279 176.600 -0.002 0.000 1.027 447 K CA -0.604 55.693 56.287 0.017 0.000 0.932 447 K CB 1.048 33.568 32.500 0.033 0.000 1.032 447 K HN 0.421 nan 8.250 nan 0.000 0.466 448 Q N 2.160 121.945 119.800 -0.025 0.000 2.400 448 Q HA 0.162 4.502 4.340 -0.000 0.000 0.255 448 Q C -0.431 175.518 176.000 -0.086 0.000 1.008 448 Q CA -0.814 54.938 55.803 -0.084 0.000 0.841 448 Q CB 1.663 30.302 28.738 -0.165 0.000 1.220 448 Q HN 0.277 nan 8.270 nan 0.000 0.474 449 K N 1.917 122.304 120.400 -0.021 0.000 2.489 449 K HA -0.009 4.311 4.320 -0.000 0.000 0.278 449 K C -0.924 175.692 176.600 0.027 0.000 1.000 449 K CA 0.179 56.501 56.287 0.058 0.000 1.012 449 K CB 0.353 32.884 32.500 0.051 0.000 0.903 449 K HN 0.302 nan 8.250 nan 0.000 0.485 450 W N 3.344 124.649 121.300 0.007 0.000 2.266 450 W HA 0.108 4.768 4.660 -0.000 0.000 0.317 450 W C 0.682 177.201 176.519 -0.001 0.000 1.310 450 W CA -0.215 57.141 57.345 0.018 0.000 1.207 450 W CB 0.306 29.782 29.460 0.026 0.000 1.199 450 W HN 0.647 nan 8.180 nan 0.000 0.544 451 T N -0.995 113.637 114.554 0.130 0.000 2.847 451 T HA 0.206 4.556 4.350 -0.000 0.000 0.279 451 T C 0.900 175.624 174.700 0.039 0.000 0.984 451 T CA -0.841 61.282 62.100 0.039 0.000 0.988 451 T CB 1.124 69.958 68.868 -0.057 0.000 1.040 451 T HN 0.224 nan 8.240 nan 0.000 0.528 452 V N 0.932 120.832 119.914 -0.023 0.000 2.295 452 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 452 V C 2.850 178.856 176.094 -0.147 0.000 1.049 452 V CA 2.395 64.667 62.300 -0.047 0.000 1.024 452 V CB -1.027 30.766 31.823 -0.050 0.000 0.648 452 V HN 1.088 nan 8.190 nan 0.000 0.447 453 E N 0.189 120.225 120.200 -0.274 0.000 2.058 453 E HA -0.288 4.061 4.350 -0.000 0.000 0.194 453 E C 2.156 178.192 176.600 -0.942 0.000 0.997 453 E CA 1.906 57.936 56.400 -0.616 0.000 0.801 453 E CB -0.157 29.157 29.700 -0.644 0.000 0.746 453 E HN 0.710 nan 8.360 nan 0.000 0.450 454 E N -0.047 119.843 120.200 -0.517 0.000 2.077 454 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 454 E C 2.266 179.048 176.600 0.303 0.000 0.989 454 E CA 1.320 57.711 56.400 -0.015 0.000 0.800 454 E CB 0.009 29.932 29.700 0.370 0.000 0.746 454 E HN 0.172 nan 8.360 nan 0.000 0.452 455 S N 0.808 116.631 115.700 0.205 0.000 2.383 455 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 455 S C 1.682 176.368 174.600 0.143 0.000 1.026 455 S CA 0.783 59.109 58.200 0.211 0.000 0.981 455 S CB -0.086 63.199 63.200 0.141 0.000 0.818 455 S HN 0.209 nan 8.310 nan 0.000 0.472 456 E N 0.333 120.533 120.200 0.001 0.000 2.150 456 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 456 E C 1.656 178.309 176.600 0.088 0.000 0.985 456 E CA 0.685 57.094 56.400 0.015 0.000 0.814 456 E CB -0.189 29.471 29.700 -0.067 0.000 0.752 456 E HN 0.626 nan 8.360 nan 0.000 0.466 457 W N 0.686 121.961 121.300 -0.042 0.000 2.388 457 W HA -0.052 4.608 4.660 -0.000 0.000 0.294 457 W C 2.241 178.581 176.519 -0.298 0.000 1.212 457 W CA 0.244 57.389 57.345 -0.334 0.000 1.271 457 W CB -1.218 27.958 29.460 -0.474 0.000 1.126 457 W HN -0.093 nan 8.180 nan 0.000 0.535 458 V N 0.924 121.044 119.914 0.345 0.000 2.295 458 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 458 V C 2.484 178.561 176.094 -0.027 0.000 1.049 458 V CA 2.317 64.763 62.300 0.245 0.000 1.024 458 V CB -0.936 31.056 31.823 0.282 0.000 0.648 458 V HN 0.102 nan 8.190 nan 0.000 0.447 459 K N 0.303 120.745 120.400 0.071 0.000 2.032 459 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 459 K C 2.194 178.750 176.600 -0.073 0.000 1.048 459 K CA 1.761 58.065 56.287 0.029 0.000 0.927 459 K CB -0.357 32.280 32.500 0.228 0.000 0.712 459 K HN 0.419 nan 8.250 nan 0.000 0.441 460 A N 0.678 123.476 122.820 -0.037 0.000 1.933 460 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 460 A C 2.353 179.919 177.584 -0.030 0.000 1.175 460 A CA 1.855 53.888 52.037 -0.008 0.000 0.628 460 A CB -1.100 17.951 19.000 0.085 0.000 0.814 460 A HN 0.573 nan 8.150 nan 0.000 0.444 461 G N -0.638 108.049 108.800 -0.188 0.000 2.418 461 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 461 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 461 G C 1.493 176.408 174.900 0.026 0.000 1.158 461 G CA 1.186 46.336 45.100 0.084 0.000 0.771 461 G HN 0.308 nan 8.290 nan 0.000 0.545 462 V N 0.399 120.173 119.914 -0.233 0.000 2.427 462 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 462 V C 2.750 178.710 176.094 -0.223 0.000 1.051 462 V CA 2.248 64.311 62.300 -0.395 0.000 1.048 462 V CB -0.324 30.941 31.823 -0.931 0.000 0.666 462 V HN 0.500 nan 8.190 nan 0.000 0.456 463 Q N 0.051 119.761 119.800 -0.151 0.000 2.046 463 Q HA -0.258 4.082 4.340 -0.000 0.000 0.200 463 Q C 2.385 178.322 176.000 -0.105 0.000 0.975 463 Q CA 2.072 57.826 55.803 -0.082 0.000 0.836 463 Q CB -0.069 28.650 28.738 -0.032 0.000 0.896 463 Q HN 0.621 nan 8.270 nan 0.000 0.428 464 K N -0.931 119.389 120.400 -0.133 0.000 2.031 464 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 464 K C 1.388 177.731 176.600 -0.429 0.000 1.049 464 K CA 1.316 57.420 56.287 -0.305 0.000 0.939 464 K CB 0.008 32.260 32.500 -0.413 0.000 0.717 464 K HN 0.233 nan 8.250 nan 0.000 0.438 465 Y N -0.334 119.940 120.300 -0.043 0.000 2.497 465 Y HA 0.286 4.836 4.550 -0.000 0.000 0.265 465 Y C 0.686 176.491 175.900 -0.159 0.000 1.111 465 Y CA 0.385 58.434 58.100 -0.084 0.000 1.288 465 Y CB 0.992 39.413 38.460 -0.065 0.000 1.082 465 Y HN 0.292 nan 8.280 nan 0.000 0.536 466 G N 1.335 110.082 108.800 -0.088 0.000 2.788 466 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 466 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 466 G C -0.750 173.941 174.900 -0.349 0.000 1.147 466 G CA -0.724 44.275 45.100 -0.169 0.000 0.755 466 G HN 0.212 nan 8.290 nan 0.000 0.634 467 E N 0.473 120.474 120.200 -0.331 0.000 2.415 467 E HA 0.428 4.778 4.350 -0.000 0.000 0.263 467 E C 1.557 177.807 176.600 -0.583 0.000 0.995 467 E CA 1.323 57.437 56.400 -0.476 0.000 0.915 467 E CB 0.083 29.744 29.700 -0.064 0.000 0.951 467 E HN 2.305 nan 8.360 nan 0.000 0.449 468 G N 4.082 112.143 108.800 -1.232 0.000 2.232 468 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.226 468 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.226 468 G C 0.147 174.431 174.900 -1.026 0.000 0.996 468 G CA 0.177 44.725 45.100 -0.920 0.000 0.626 468 G HN 0.669 nan 8.290 nan 0.000 0.509 469 N N 0.734 118.876 118.700 -0.930 0.000 3.324 469 N HA 0.387 5.127 4.740 -0.000 0.000 0.302 469 N C 1.066 176.311 175.510 -0.441 0.000 1.360 469 N CA -0.499 52.256 53.050 -0.492 0.000 1.190 469 N CB -0.069 38.263 38.487 -0.258 0.000 1.462 469 N HN 0.626 nan 8.380 nan 0.000 0.532 470 W N 0.532 121.810 121.300 -0.036 0.000 2.402 470 W HA -0.084 4.576 4.660 0.000 0.000 0.286 470 W C 2.288 178.774 176.519 -0.056 0.000 1.221 470 W CA 0.197 57.514 57.345 -0.047 0.000 1.257 470 W CB -0.041 29.395 29.460 -0.039 0.000 1.120 470 W HN 0.344 nan 8.180 nan 0.000 0.551 471 A N 1.019 123.902 122.820 0.105 0.000 1.902 471 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 471 A C 2.124 179.679 177.584 -0.048 0.000 1.181 471 A CA 2.363 54.422 52.037 0.037 0.000 0.623 471 A CB -1.251 17.755 19.000 0.011 0.000 0.818 471 A HN 0.207 nan 8.150 nan 0.000 0.443 472 A N -0.035 122.690 122.820 -0.159 0.000 1.877 472 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 472 A C 2.124 179.441 177.584 -0.445 0.000 1.186 472 A CA 1.568 53.365 52.037 -0.400 0.000 0.620 472 A CB -0.631 18.011 19.000 -0.597 0.000 0.822 472 A HN 0.501 nan 8.150 nan 0.000 0.443 473 I N -0.771 119.685 120.570 -0.190 0.000 2.226 473 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 473 I C 2.774 179.123 176.117 0.386 0.000 1.100 473 I CA 1.482 62.895 61.300 0.187 0.000 1.374 473 I CB -0.248 37.925 38.000 0.290 0.000 1.057 473 I HN 0.386 nan 8.210 nan 0.000 0.413 474 S N 1.141 116.974 115.700 0.221 0.000 2.399 474 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 474 S C 1.856 176.605 174.600 0.249 0.000 1.022 474 S CA 1.564 59.903 58.200 0.232 0.000 0.983 474 S CB -0.154 63.101 63.200 0.092 0.000 0.803 474 S HN 0.548 nan 8.310 nan 0.000 0.480 475 K N -0.638 119.819 120.400 0.094 0.000 2.374 475 K HA 0.259 4.579 4.320 -0.000 0.000 0.196 475 K C 0.679 177.245 176.600 -0.056 0.000 1.023 475 K CA 0.136 56.432 56.287 0.016 0.000 1.103 475 K CB 0.079 32.555 32.500 -0.040 0.000 0.848 475 K HN 0.153 nan 8.250 nan 0.000 0.528 476 N N 0.042 118.701 118.700 -0.069 0.000 2.177 476 N HA 0.125 4.865 4.740 -0.000 0.000 0.218 476 N C -1.176 173.947 175.510 -0.644 0.000 1.182 476 N CA 0.026 52.908 53.050 -0.280 0.000 0.882 476 N CB 0.529 38.856 38.487 -0.265 0.000 1.052 476 N HN 0.109 nan 8.380 nan 0.000 0.519 477 Y N -0.220 119.946 120.300 -0.224 0.000 2.545 477 Y HA 0.379 4.929 4.550 -0.000 0.000 0.348 477 Y C -1.966 173.438 175.900 -0.826 0.000 1.002 477 Y CA -2.103 55.572 58.100 -0.709 0.000 1.039 477 Y CB 1.465 39.368 38.460 -0.929 0.000 1.271 477 Y HN -0.165 nan 8.280 nan 0.000 0.467 478 P HA 0.017 nan 4.420 nan 0.000 0.286 478 P C -0.806 176.277 177.300 -0.362 0.000 1.577 478 P CA 0.407 63.085 63.100 -0.703 0.000 0.805 478 P CB -0.788 30.534 31.700 -0.631 0.000 1.706 479 F N -0.308 119.623 119.950 -0.032 0.000 2.506 479 F HA 0.134 4.661 4.527 -0.000 0.000 0.351 479 F C 1.084 176.941 175.800 0.095 0.000 1.136 479 F CA -0.030 58.088 58.000 0.196 0.000 1.298 479 F CB 0.477 39.599 39.000 0.203 0.000 1.145 479 F HN -0.251 nan 8.300 nan 0.000 0.593 480 V N 2.176 122.262 119.914 0.287 0.000 2.577 480 V HA 0.263 4.383 4.120 -0.000 0.000 0.303 480 V C -0.224 175.919 176.094 0.081 0.000 1.042 480 V CA -1.455 60.931 62.300 0.143 0.000 0.872 480 V CB 1.501 33.384 31.823 0.099 0.000 0.998 480 V HN 0.903 nan 8.190 nan 0.000 0.423 481 N N 2.407 121.138 118.700 0.051 0.000 2.747 481 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 481 N C -0.382 175.113 175.510 -0.024 0.000 1.107 481 N CA 0.331 53.385 53.050 0.007 0.000 0.707 481 N CB -0.348 38.129 38.487 -0.016 0.000 1.054 481 N HN 0.507 nan 8.380 nan 0.000 0.555 482 R N 0.627 121.128 120.500 0.001 0.000 2.476 482 R HA 0.363 4.703 4.340 -0.000 0.000 0.305 482 R C 0.344 176.635 176.300 -0.016 0.000 0.965 482 R CA -0.420 55.655 56.100 -0.042 0.000 0.867 482 R CB 1.189 31.418 30.300 -0.119 0.000 1.176 482 R HN 0.213 nan 8.270 nan 0.000 0.447 483 T N -1.644 112.910 114.554 -0.001 0.000 2.847 483 T HA 0.402 4.752 4.350 -0.000 0.000 0.279 483 T C 1.461 176.150 174.700 -0.018 0.000 0.984 483 T CA -0.114 61.987 62.100 0.001 0.000 0.988 483 T CB 1.458 70.331 68.868 0.008 0.000 1.040 483 T HN 0.463 nan 8.240 nan 0.000 0.528 484 A N 0.493 123.317 122.820 0.006 0.000 1.933 484 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 484 A C 2.341 179.882 177.584 -0.071 0.000 1.175 484 A CA 1.535 53.592 52.037 0.034 0.000 0.628 484 A CB -1.237 17.837 19.000 0.123 0.000 0.814 484 A HN 0.714 nan 8.150 nan 0.000 0.444 485 V N -0.244 119.627 119.914 -0.072 0.000 2.358 485 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 485 V C 2.594 178.578 176.094 -0.184 0.000 1.047 485 V CA 2.193 64.405 62.300 -0.147 0.000 1.035 485 V CB -0.700 31.083 31.823 -0.068 0.000 0.658 485 V HN 0.585 nan 8.190 nan 0.000 0.452 486 M N -0.770 118.791 119.600 -0.065 0.000 2.159 486 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 486 M C 2.108 178.372 176.300 -0.061 0.000 1.063 486 M CA 1.970 57.297 55.300 0.045 0.000 1.110 486 M CB -0.456 32.283 32.600 0.231 0.000 1.374 486 M HN 0.257 nan 8.290 nan 0.000 0.411 487 I N -0.141 120.343 120.570 -0.143 0.000 2.252 487 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 487 I C 2.683 178.418 176.117 -0.637 0.000 1.102 487 I CA 1.000 62.112 61.300 -0.313 0.000 1.385 487 I CB -0.586 37.284 38.000 -0.217 0.000 1.064 487 I HN 0.283 nan 8.210 nan 0.000 0.414 488 K N 1.158 120.961 120.400 -0.995 0.000 2.063 488 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 488 K C 1.510 177.667 176.600 -0.737 0.000 1.048 488 K CA 1.975 57.284 56.287 -1.630 0.000 0.928 488 K CB -0.349 31.187 32.500 -1.606 0.000 0.713 488 K HN 0.260 nan 8.250 nan 0.000 0.442 489 D N 0.225 120.329 120.400 -0.494 0.000 2.178 489 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 489 D C 2.094 178.161 176.300 -0.389 0.000 0.974 489 D CA 0.808 54.609 54.000 -0.332 0.000 0.841 489 D CB -0.026 40.645 40.800 -0.214 0.000 0.953 489 D HN 0.158 nan 8.370 nan 0.000 0.478 490 R N 0.194 120.336 120.500 -0.596 0.000 2.090 490 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 490 R C 2.145 178.232 176.300 -0.355 0.000 1.110 490 R CA 0.968 56.605 56.100 -0.772 0.000 0.973 490 R CB -0.945 28.385 30.300 -1.617 0.000 0.869 490 R HN 0.335 nan 8.270 nan 0.000 0.440 491 W N 1.315 122.348 121.300 -0.446 0.000 2.358 491 W HA -0.216 4.444 4.660 -0.000 0.000 0.303 491 W C 1.882 178.303 176.519 -0.163 0.000 1.208 491 W CA 1.545 58.761 57.345 -0.215 0.000 1.274 491 W CB -0.127 29.292 29.460 -0.069 0.000 1.138 491 W HN 0.202 nan 8.180 nan 0.000 0.515 492 R N 0.074 120.480 120.500 -0.157 0.000 2.083 492 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 492 R C 2.213 178.357 176.300 -0.260 0.000 1.137 492 R CA 2.626 58.599 56.100 -0.210 0.000 0.951 492 R CB -0.814 29.400 30.300 -0.143 0.000 0.851 492 R HN -0.056 nan 8.270 nan 0.000 0.434 493 T N 1.022 115.428 114.554 -0.246 0.000 2.746 493 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 493 T C 1.819 176.373 174.700 -0.244 0.000 1.039 493 T CA 1.865 63.833 62.100 -0.219 0.000 1.142 493 T CB -0.127 68.611 68.868 -0.217 0.000 0.866 493 T HN 0.264 nan 8.240 nan 0.000 0.444 494 M N 0.577 119.996 119.600 -0.302 0.000 2.108 494 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 494 M C 2.339 178.388 176.300 -0.419 0.000 1.066 494 M CA 1.669 56.775 55.300 -0.324 0.000 1.107 494 M CB -0.373 32.039 32.600 -0.313 0.000 1.356 494 M HN 0.134 nan 8.290 nan 0.000 0.406 495 K N -0.358 119.691 120.400 -0.586 0.000 2.097 495 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 495 K C 2.038 178.473 176.600 -0.275 0.000 1.049 495 K CA 0.899 56.890 56.287 -0.493 0.000 0.933 495 K CB -0.081 32.103 32.500 -0.526 0.000 0.717 495 K HN 0.205 nan 8.250 nan 0.000 0.442 496 R N 0.747 121.109 120.500 -0.230 0.000 2.115 496 R HA -0.016 4.324 4.340 -0.000 0.000 0.230 496 R C 1.929 178.153 176.300 -0.126 0.000 1.111 496 R CA 0.995 57.004 56.100 -0.151 0.000 0.976 496 R CB -0.632 29.591 30.300 -0.128 0.000 0.870 496 R HN 0.242 nan 8.270 nan 0.000 0.445 497 L N 0.012 121.152 121.223 -0.139 0.000 2.611 497 L HA 0.239 4.579 4.340 -0.000 0.000 0.229 497 L C 0.646 177.457 176.870 -0.099 0.000 1.137 497 L CA 0.317 55.094 54.840 -0.104 0.000 0.901 497 L CB -0.106 41.896 42.059 -0.094 0.000 1.098 497 L HN 0.348 nan 8.230 nan 0.000 0.456 498 G N 0.596 109.323 108.800 -0.122 0.000 2.198 498 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 498 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 498 G C 0.505 175.350 174.900 -0.093 0.000 1.042 498 G CA 0.428 45.468 45.100 -0.101 0.000 0.791 498 G HN 0.414 nan 8.290 nan 0.000 0.502 499 M N -0.183 119.339 119.600 -0.130 0.000 2.356 499 M HA 0.176 4.656 4.480 -0.000 0.000 0.262 499 M C 1.168 177.410 176.300 -0.096 0.000 1.097 499 M CA 0.268 55.514 55.300 -0.090 0.000 0.991 499 M CB 0.057 32.609 32.600 -0.079 0.000 1.450 499 M HN 0.552 nan 8.290 nan 0.000 0.495 500 N N 0.000 118.582 118.700 -0.197 0.000 1.763 500 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 500 N CA 0.000 52.932 53.050 -0.197 0.000 0.885 500 N CB 0.000 38.114 38.487 -0.623 0.000 1.341 500 N HN 0.000 nan 8.380 nan 0.000 0.667