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 1ocz_1_J DATA FIRST_RESID 1 DATA SEQUENCE FENRVAEKQK LFQEDNGLPV HLKGGATDNI LYRVTMTLCL GGTLYSLYCL DATA SEQUENCE GWASFP 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 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.804 175.800 0.007 0.000 0.967 1 F CA 0.000 58.004 58.000 0.006 0.000 1.383 1 F CB 0.000 39.004 39.000 0.007 0.000 1.145 2 E N 1.369 121.567 120.200 -0.002 0.000 1.987 2 E HA 0.029 4.379 4.350 -0.000 0.000 0.198 2 E C 0.123 176.756 176.600 0.054 0.000 0.968 2 E CA 1.076 57.459 56.400 -0.029 0.000 0.867 2 E CB -0.253 29.419 29.700 -0.047 0.000 0.819 2 E HN 0.601 nan 8.360 nan 0.000 0.516 3 N N -0.273 118.482 118.700 0.092 0.000 3.006 3 N HA -0.153 4.587 4.740 -0.000 0.000 0.246 3 N C -0.812 174.726 175.510 0.047 0.000 1.128 3 N CA 0.557 53.650 53.050 0.072 0.000 0.697 3 N CB -0.685 37.839 38.487 0.062 0.000 1.057 3 N HN 0.454 nan 8.380 nan 0.000 0.557 4 R N -0.643 119.884 120.500 0.046 0.000 3.179 4 R HA 0.235 4.575 4.340 -0.000 0.000 0.317 4 R C 1.334 177.664 176.300 0.050 0.000 1.331 4 R CA -0.032 56.089 56.100 0.035 0.000 1.184 4 R CB 0.435 30.747 30.300 0.020 0.000 1.408 4 R HN 0.178 nan 8.270 nan 0.000 0.598 5 V N 0.700 120.647 119.914 0.056 0.000 2.343 5 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 5 V C 2.254 178.386 176.094 0.063 0.000 1.051 5 V CA 2.269 64.607 62.300 0.064 0.000 1.036 5 V CB -0.247 31.608 31.823 0.054 0.000 0.654 5 V HN 0.578 nan 8.190 nan 0.000 0.451 6 A N -0.269 122.579 122.820 0.047 0.000 1.917 6 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 6 A C 2.028 179.635 177.584 0.039 0.000 1.182 6 A CA 2.239 54.300 52.037 0.040 0.000 0.633 6 A CB -0.689 18.327 19.000 0.028 0.000 0.819 6 A HN 0.750 nan 8.150 nan 0.000 0.448 7 E N -0.270 119.951 120.200 0.035 0.000 2.051 7 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 7 E C 1.969 178.589 176.600 0.034 0.000 0.991 7 E CA 1.229 57.643 56.400 0.023 0.000 0.799 7 E CB -0.132 29.577 29.700 0.015 0.000 0.748 7 E HN 0.401 nan 8.360 nan 0.000 0.449 8 K N 1.109 121.558 120.400 0.082 0.000 2.097 8 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 8 K C 2.082 178.823 176.600 0.236 0.000 1.049 8 K CA 1.159 57.550 56.287 0.173 0.000 0.933 8 K CB -0.383 32.261 32.500 0.239 0.000 0.717 8 K HN 0.278 nan 8.250 nan 0.000 0.442 9 Q N 0.863 120.759 119.800 0.159 0.000 1.975 9 Q HA -0.121 4.219 4.340 -0.000 0.000 0.205 9 Q C 2.213 178.273 176.000 0.101 0.000 0.990 9 Q CA 1.196 57.085 55.803 0.145 0.000 0.845 9 Q CB -0.135 28.654 28.738 0.084 0.000 0.913 9 Q HN 0.113 nan 8.270 nan 0.000 0.420 10 K N 0.977 121.404 120.400 0.046 0.000 2.059 10 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 10 K C 2.076 178.657 176.600 -0.032 0.000 1.050 10 K CA 1.135 57.426 56.287 0.008 0.000 0.927 10 K CB -0.606 31.891 32.500 -0.005 0.000 0.714 10 K HN 0.258 nan 8.250 nan 0.000 0.447 11 L N -0.255 120.917 121.223 -0.084 0.000 1.989 11 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 11 L C 2.172 178.845 176.870 -0.329 0.000 1.071 11 L CA 1.599 56.290 54.840 -0.248 0.000 0.749 11 L CB -0.278 41.544 42.059 -0.395 0.000 0.890 11 L HN 0.053 nan 8.230 nan 0.000 0.431 12 F N -0.251 119.697 119.950 -0.004 0.000 2.502 12 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 12 F C 2.474 178.271 175.800 -0.006 0.000 1.111 12 F CA 0.785 58.781 58.000 -0.006 0.000 1.445 12 F CB -0.239 38.760 39.000 -0.001 0.000 1.081 12 F HN 0.211 nan 8.300 nan 0.000 0.558 13 Q N -0.047 119.816 119.800 0.105 0.000 2.408 13 Q HA -0.045 4.295 4.340 -0.000 0.000 0.205 13 Q C 0.647 176.660 176.000 0.022 0.000 0.919 13 Q CA -0.071 55.772 55.803 0.066 0.000 0.932 13 Q CB 0.085 28.856 28.738 0.055 0.000 1.058 13 Q HN 0.338 nan 8.270 nan 0.000 0.517 14 E N 2.058 122.251 120.200 -0.012 0.000 2.498 14 E HA -0.136 4.214 4.350 -0.000 0.000 0.252 14 E C -0.812 175.776 176.600 -0.019 0.000 1.025 14 E CA -0.098 56.284 56.400 -0.030 0.000 0.938 14 E CB 0.353 30.014 29.700 -0.067 0.000 0.947 14 E HN 0.026 nan 8.360 nan 0.000 0.478 15 D N 3.910 124.303 120.400 -0.011 0.000 2.662 15 D HA -0.048 4.592 4.640 -0.000 0.000 0.228 15 D C 0.361 176.652 176.300 -0.015 0.000 1.090 15 D CA -0.026 53.969 54.000 -0.007 0.000 1.118 15 D CB -0.321 40.477 40.800 -0.004 0.000 1.129 15 D HN 0.445 nan 8.370 nan 0.000 0.472 16 N N 0.998 119.685 118.700 -0.022 0.000 2.314 16 N HA 0.093 4.833 4.740 -0.000 0.000 0.200 16 N C 1.534 177.029 175.510 -0.025 0.000 1.135 16 N CA 0.262 53.295 53.050 -0.029 0.000 0.835 16 N CB 0.302 38.764 38.487 -0.043 0.000 0.989 16 N HN 0.248 nan 8.380 nan 0.000 0.478 17 G N -0.311 108.479 108.800 -0.017 0.000 2.196 17 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.268 17 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.268 17 G C -0.101 174.784 174.900 -0.025 0.000 0.975 17 G CA 0.538 45.629 45.100 -0.016 0.000 0.648 17 G HN 0.388 nan 8.290 nan 0.000 0.538 18 L N 2.028 123.230 121.223 -0.035 0.000 2.436 18 L HA 0.392 4.732 4.340 -0.000 0.000 0.265 18 L C -1.135 175.704 176.870 -0.053 0.000 1.168 18 L CA -1.647 53.156 54.840 -0.062 0.000 0.815 18 L CB 0.720 42.734 42.059 -0.075 0.000 1.109 18 L HN 0.053 nan 8.230 nan 0.000 0.462 19 P HA 0.035 nan 4.420 nan 0.000 0.284 19 P C 0.693 177.967 177.300 -0.043 0.000 1.258 19 P CA -0.395 62.677 63.100 -0.047 0.000 0.824 19 P CB 1.856 33.535 31.700 -0.036 0.000 1.038 20 V N 2.588 122.538 119.914 0.061 0.000 2.363 20 V HA -0.272 3.848 4.120 -0.000 0.000 0.254 20 V C 2.249 178.400 176.094 0.096 0.000 1.074 20 V CA 2.553 64.906 62.300 0.088 0.000 1.069 20 V CB -1.525 30.333 31.823 0.059 0.000 0.659 20 V HN 0.739 nan 8.190 nan 0.000 0.455 21 H N -1.501 117.561 119.070 -0.013 0.000 2.556 21 H HA 0.083 4.639 4.556 -0.000 0.000 0.268 21 H C 1.449 176.763 175.328 -0.023 0.000 0.996 21 H CA 1.086 57.119 56.048 -0.026 0.000 1.157 21 H CB -0.112 29.608 29.762 -0.069 0.000 1.355 21 H HN 0.519 nan 8.280 nan 0.000 0.597 22 L N -0.576 120.474 121.223 -0.288 0.000 3.017 22 L HA 0.124 4.464 4.340 -0.000 0.000 0.265 22 L C 2.116 178.944 176.870 -0.071 0.000 1.128 22 L CA -0.182 54.514 54.840 -0.240 0.000 0.984 22 L CB 0.215 42.021 42.059 -0.422 0.000 1.464 22 L HN -0.109 nan 8.230 nan 0.000 0.556 23 K N 1.181 121.583 120.400 0.004 0.000 2.228 23 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 23 K C 1.803 178.411 176.600 0.013 0.000 1.045 23 K CA 1.516 57.838 56.287 0.058 0.000 0.931 23 K CB -0.256 32.389 32.500 0.242 0.000 0.727 23 K HN 0.407 nan 8.250 nan 0.000 0.458 24 G N -0.048 108.875 108.800 0.204 0.000 2.650 24 G HA2 0.149 4.109 3.960 -0.000 0.000 0.214 24 G HA3 0.149 4.109 3.960 -0.000 0.000 0.214 24 G C 0.613 175.517 174.900 0.008 0.000 1.136 24 G CA 0.751 45.943 45.100 0.153 0.000 0.789 24 G HN 0.551 nan 8.290 nan 0.000 0.536 25 G N -1.754 107.043 108.800 -0.006 0.000 2.320 25 G HA2 0.425 4.385 3.960 -0.000 0.000 0.274 25 G HA3 0.425 4.385 3.960 -0.000 0.000 0.274 25 G C 0.677 175.579 174.900 0.003 0.000 1.324 25 G CA 0.219 45.310 45.100 -0.015 0.000 0.957 25 G HN 0.796 nan 8.290 nan 0.000 0.481 26 A N -1.089 121.736 122.820 0.007 0.000 1.930 26 A HA 0.252 4.572 4.320 -0.000 0.000 0.215 26 A C 2.522 180.127 177.584 0.036 0.000 1.176 26 A CA 2.986 55.033 52.037 0.017 0.000 0.632 26 A CB -1.107 17.900 19.000 0.011 0.000 0.819 26 A HN 1.744 nan 8.150 nan 0.000 0.445 27 T N -0.838 113.740 114.554 0.040 0.000 2.881 27 T HA -0.135 4.215 4.350 -0.000 0.000 0.270 27 T C 1.249 175.993 174.700 0.074 0.000 1.068 27 T CA 1.442 63.573 62.100 0.052 0.000 1.131 27 T CB -0.455 68.443 68.868 0.050 0.000 0.871 27 T HN 0.343 nan 8.240 nan 0.000 0.479 28 D N 1.339 121.785 120.400 0.077 0.000 2.149 28 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 28 D C 2.118 178.497 176.300 0.131 0.000 0.990 28 D CA 0.922 54.981 54.000 0.098 0.000 0.839 28 D CB -0.487 40.357 40.800 0.073 0.000 0.948 28 D HN 0.406 nan 8.370 nan 0.000 0.460 29 N N -0.222 118.542 118.700 0.107 0.000 2.207 29 N HA -0.073 4.667 4.740 -0.000 0.000 0.182 29 N C 1.839 177.453 175.510 0.173 0.000 1.020 29 N CA 0.931 54.076 53.050 0.158 0.000 0.858 29 N CB -0.010 38.534 38.487 0.096 0.000 0.991 29 N HN 0.271 nan 8.380 nan 0.000 0.427 30 I N -1.105 119.528 120.570 0.105 0.000 2.179 30 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 30 I C 1.939 178.104 176.117 0.080 0.000 1.088 30 I CA 1.346 62.690 61.300 0.074 0.000 1.357 30 I CB -0.591 37.438 38.000 0.048 0.000 1.051 30 I HN 0.090 nan 8.210 nan 0.000 0.409 31 L N -0.515 120.768 121.223 0.100 0.000 2.012 31 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 31 L C 2.824 179.772 176.870 0.131 0.000 1.073 31 L CA 2.107 57.007 54.840 0.100 0.000 0.748 31 L CB -0.776 41.349 42.059 0.110 0.000 0.891 31 L HN 0.432 nan 8.230 nan 0.000 0.431 32 Y N 1.183 121.520 120.300 0.061 0.000 2.097 32 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 32 Y C 2.758 178.690 175.900 0.053 0.000 1.152 32 Y CA 1.592 59.738 58.100 0.075 0.000 1.136 32 Y CB -0.383 38.147 38.460 0.117 0.000 0.975 32 Y HN 0.026 nan 8.280 nan 0.000 0.498 33 R N -0.541 119.872 120.500 -0.145 0.000 2.120 33 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 33 R C 2.177 178.377 176.300 -0.167 0.000 1.123 33 R CA 1.495 57.445 56.100 -0.250 0.000 0.975 33 R CB -0.750 29.511 30.300 -0.065 0.000 0.866 33 R HN 0.319 nan 8.270 nan 0.000 0.446 34 V N 0.560 120.428 119.914 -0.076 0.000 2.270 34 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 34 V C 2.247 178.305 176.094 -0.059 0.000 1.043 34 V CA 2.159 64.430 62.300 -0.048 0.000 1.014 34 V CB -0.628 31.189 31.823 -0.010 0.000 0.645 34 V HN 0.329 nan 8.190 nan 0.000 0.447 35 T N -0.080 114.445 114.554 -0.049 0.000 2.684 35 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 35 T C 1.971 176.624 174.700 -0.079 0.000 1.036 35 T CA 1.665 63.743 62.100 -0.037 0.000 1.148 35 T CB -0.319 68.554 68.868 0.008 0.000 0.863 35 T HN 0.140 nan 8.240 nan 0.000 0.436 36 M N 1.009 120.502 119.600 -0.179 0.000 2.213 36 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 36 M C 2.383 178.608 176.300 -0.126 0.000 1.062 36 M CA 1.393 56.575 55.300 -0.197 0.000 1.105 36 M CB -1.439 30.911 32.600 -0.417 0.000 1.385 36 M HN 0.270 nan 8.290 nan 0.000 0.417 37 T N 1.096 115.580 114.554 -0.116 0.000 2.698 37 T HA -0.036 4.314 4.350 -0.000 0.000 0.260 37 T C 1.963 176.639 174.700 -0.040 0.000 1.044 37 T CA 0.987 63.044 62.100 -0.071 0.000 1.149 37 T CB -0.275 68.554 68.868 -0.066 0.000 0.864 37 T HN 0.282 nan 8.240 nan 0.000 0.419 38 L N 0.668 121.872 121.223 -0.033 0.000 2.043 38 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 38 L C 2.942 179.813 176.870 0.002 0.000 1.075 38 L CA 1.061 55.894 54.840 -0.012 0.000 0.752 38 L CB -0.869 41.186 42.059 -0.007 0.000 0.891 38 L HN 0.391 nan 8.230 nan 0.000 0.432 39 C N -0.266 119.030 119.300 -0.007 0.000 2.413 39 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 39 C C 2.755 177.753 174.990 0.013 0.000 1.228 39 C CA 0.688 59.709 59.018 0.005 0.000 1.731 39 C CB -0.853 26.885 27.740 -0.003 0.000 2.042 39 C HN 0.433 nan 8.230 nan 0.000 0.468 40 L N 0.728 121.951 121.223 0.000 0.000 2.017 40 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 40 L C 2.858 179.744 176.870 0.027 0.000 1.073 40 L CA 1.915 56.761 54.840 0.010 0.000 0.745 40 L CB -1.502 40.554 42.059 -0.004 0.000 0.894 40 L HN 0.514 nan 8.230 nan 0.000 0.432 41 G N 0.025 108.836 108.800 0.019 0.000 2.459 41 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 41 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 41 G C 1.608 176.556 174.900 0.080 0.000 1.183 41 G CA 0.825 45.943 45.100 0.031 0.000 0.776 41 G HN 0.479 nan 8.290 nan 0.000 0.552 42 G N 0.266 109.114 108.800 0.080 0.000 2.513 42 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 42 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 42 G C 1.870 176.844 174.900 0.123 0.000 1.160 42 G CA 1.938 47.113 45.100 0.125 0.000 0.767 42 G HN 0.412 nan 8.290 nan 0.000 0.571 43 T N 1.342 115.944 114.554 0.081 0.000 2.746 43 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 43 T C 2.429 177.186 174.700 0.095 0.000 1.039 43 T CA 1.099 63.241 62.100 0.069 0.000 1.142 43 T CB -0.218 68.678 68.868 0.047 0.000 0.866 43 T HN 0.185 nan 8.240 nan 0.000 0.444 44 L N -0.387 120.902 121.223 0.111 0.000 2.046 44 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 44 L C 2.466 179.476 176.870 0.233 0.000 1.077 44 L CA 1.404 56.328 54.840 0.139 0.000 0.747 44 L CB -0.646 41.478 42.059 0.108 0.000 0.896 44 L HN 0.222 nan 8.230 nan 0.000 0.432 45 Y N 1.382 121.725 120.300 0.071 0.000 2.128 45 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 45 Y C 3.022 179.017 175.900 0.158 0.000 1.154 45 Y CA 1.329 59.488 58.100 0.100 0.000 1.149 45 Y CB -0.743 37.745 38.460 0.045 0.000 0.976 45 Y HN 0.309 nan 8.280 nan 0.000 0.505 46 S N -0.546 115.160 115.700 0.010 0.000 2.399 46 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 46 S C 2.017 176.620 174.600 0.006 0.000 1.022 46 S CA 1.299 59.448 58.200 -0.085 0.000 0.983 46 S CB -0.886 62.291 63.200 -0.037 0.000 0.803 46 S HN 0.288 nan 8.310 nan 0.000 0.480 47 L N 0.634 121.904 121.223 0.079 0.000 2.056 47 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 47 L C 2.391 179.334 176.870 0.121 0.000 1.078 47 L CA 1.581 56.474 54.840 0.089 0.000 0.749 47 L CB -1.543 40.577 42.059 0.102 0.000 0.901 47 L HN 0.528 nan 8.230 nan 0.000 0.433 48 Y N -0.966 119.393 120.300 0.099 0.000 2.181 48 Y HA -0.284 4.266 4.550 -0.000 0.000 0.288 48 Y C 2.599 178.599 175.900 0.167 0.000 1.146 48 Y CA 1.711 59.899 58.100 0.147 0.000 1.164 48 Y CB -0.522 38.059 38.460 0.201 0.000 0.982 48 Y HN 0.190 nan 8.280 nan 0.000 0.515 49 C N 0.574 119.870 119.300 -0.007 0.000 2.473 49 C HA -0.157 4.303 4.460 -0.000 0.000 0.279 49 C C 2.665 177.706 174.990 0.084 0.000 1.250 49 C CA 1.199 60.210 59.018 -0.011 0.000 1.713 49 C CB -1.477 26.184 27.740 -0.132 0.000 2.066 49 C HN 0.596 nan 8.230 nan 0.000 0.474 50 L N 0.900 122.136 121.223 0.022 0.000 2.551 50 L HA -0.051 4.289 4.340 -0.000 0.000 0.230 50 L C 2.351 179.216 176.870 -0.010 0.000 1.163 50 L CA 1.208 56.053 54.840 0.008 0.000 0.826 50 L CB -0.902 41.152 42.059 -0.009 0.000 0.943 50 L HN 0.621 nan 8.230 nan 0.000 0.452 51 G N -1.011 107.794 108.800 0.008 0.000 2.641 51 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.207 51 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.207 51 G C 1.176 176.148 174.900 0.119 0.000 1.137 51 G CA 0.059 45.194 45.100 0.058 0.000 0.824 51 G HN 0.497 nan 8.290 nan 0.000 0.547 52 W N 2.173 123.356 121.300 -0.194 0.000 2.374 52 W HA 0.196 4.856 4.660 -0.000 0.000 0.288 52 W C 2.006 178.533 176.519 0.013 0.000 1.218 52 W CA 1.586 58.835 57.345 -0.159 0.000 1.245 52 W CB 0.188 29.391 29.460 -0.428 0.000 1.126 52 W HN 0.183 nan 8.180 nan 0.000 0.545 53 A N -0.309 122.293 122.820 -0.363 0.000 2.278 53 A HA 0.134 4.454 4.320 -0.000 0.000 0.212 53 A C 1.763 179.129 177.584 -0.362 0.000 1.213 53 A CA 0.949 52.625 52.037 -0.602 0.000 0.840 53 A CB -0.756 18.111 19.000 -0.222 0.000 0.866 53 A HN 0.243 nan 8.150 nan 0.000 0.489 54 S N -1.039 114.492 115.700 -0.283 0.000 2.524 54 S HA 0.324 4.794 4.470 -0.000 0.000 0.216 54 S C -0.029 174.138 174.600 -0.722 0.000 0.987 54 S CA -0.035 57.892 58.200 -0.455 0.000 0.909 54 S CB -0.234 62.660 63.200 -0.509 0.000 0.781 54 S HN 0.342 nan 8.310 nan 0.000 0.521 55 F N 1.781 121.569 119.950 -0.269 0.000 2.507 55 F HA 0.586 5.113 4.527 -0.000 0.000 0.327 55 F C -1.544 174.102 175.800 -0.257 0.000 1.068 55 F CA -2.445 55.424 58.000 -0.219 0.000 0.965 55 F CB -0.433 38.455 39.000 -0.187 0.000 1.192 55 F HN -0.028 nan 8.300 nan 0.000 0.476 56 P HA 0.000 nan 4.420 nan 0.000 0.000 56 P CA 0.000 63.062 63.100 -0.063 0.000 0.000 56 P CB 0.000 31.686 31.700 -0.023 0.000 0.000