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 2wjv_1_E DATA FIRST_RESID 1102 DATA SEQUENCE AMGVPCVEDE DFIQALDKMM LENLQQRSXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXDTMPF VMLTRKGNKQ QFKILNVPMS SQLAANH 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 1102 A HA 0.000 nan 4.320 nan 0.000 0.244 1102 A C 0.000 177.590 177.584 0.010 0.000 1.274 1102 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1102 A CB 0.000 19.005 19.000 0.007 0.000 0.831 1103 M N 0.931 120.537 119.600 0.010 0.000 2.346 1103 M HA 0.339 4.819 4.480 -0.000 0.000 0.280 1103 M C 1.305 177.611 176.300 0.010 0.000 1.075 1103 M CA 1.013 56.321 55.300 0.013 0.000 0.989 1103 M CB 0.734 33.342 32.600 0.014 0.000 1.447 1103 M HN 1.466 nan 8.290 nan 0.000 0.511 1104 G N 0.923 109.727 108.800 0.006 0.000 2.527 1104 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.268 1104 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.268 1104 G C -0.334 174.566 174.900 0.000 0.000 1.175 1104 G CA -0.346 44.755 45.100 0.001 0.000 0.962 1104 G HN 0.165 nan 8.290 nan 0.000 0.560 1105 V N 4.010 123.922 119.914 -0.003 0.000 2.240 1105 V HA 0.432 4.552 4.120 -0.000 0.000 0.265 1105 V C -0.913 175.181 176.094 -0.001 0.000 1.073 1105 V CA -0.408 61.891 62.300 -0.002 0.000 0.857 1105 V CB 0.355 32.174 31.823 -0.006 0.000 1.114 1105 V HN 0.745 nan 8.190 nan 0.000 0.469 1106 P HA 0.394 nan 4.420 nan 0.000 0.273 1106 P C -0.443 176.863 177.300 0.010 0.000 1.250 1106 P CA -0.155 62.951 63.100 0.011 0.000 0.793 1106 P CB 1.207 32.916 31.700 0.015 0.000 1.011 1107 C N -1.312 117.998 119.300 0.016 0.000 3.323 1107 C HA 0.201 4.661 4.460 -0.000 0.000 0.324 1107 C C 1.913 176.918 174.990 0.024 0.000 1.428 1107 C CA -0.532 58.496 59.018 0.015 0.000 1.368 1107 C CB 1.546 29.292 27.740 0.010 0.000 1.731 1107 C HN 0.433 nan 8.230 nan 0.000 0.455 1108 V N 1.605 121.532 119.914 0.022 0.000 3.041 1108 V HA -0.079 4.041 4.120 -0.000 0.000 0.260 1108 V C 1.914 178.030 176.094 0.037 0.000 1.105 1108 V CA 1.733 64.048 62.300 0.026 0.000 1.125 1108 V CB -0.736 31.098 31.823 0.018 0.000 0.730 1108 V HN 0.918 nan 8.190 nan 0.000 0.479 1109 E N -0.467 119.757 120.200 0.040 0.000 2.479 1109 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 1109 E C 0.884 177.544 176.600 0.101 0.000 1.049 1109 E CA 0.277 56.711 56.400 0.057 0.000 0.870 1109 E CB -0.089 29.633 29.700 0.036 0.000 0.944 1109 E HN 0.563 nan 8.360 nan 0.000 0.492 1110 D N 1.656 122.114 120.400 0.097 0.000 2.162 1110 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 1110 D C 1.629 178.027 176.300 0.163 0.000 0.967 1110 D CA 0.504 54.606 54.000 0.169 0.000 0.840 1110 D CB 0.282 41.152 40.800 0.117 0.000 0.972 1110 D HN 0.154 nan 8.370 nan 0.000 0.482 1111 E N 1.389 121.642 120.200 0.089 0.000 2.058 1111 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 1111 E C 1.637 178.266 176.600 0.049 0.000 0.997 1111 E CA 0.937 57.369 56.400 0.053 0.000 0.801 1111 E CB -0.189 29.530 29.700 0.033 0.000 0.746 1111 E HN 0.354 nan 8.360 nan 0.000 0.450 1112 D N 0.183 120.624 120.400 0.069 0.000 2.097 1112 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 1112 D C 1.850 178.199 176.300 0.081 0.000 0.989 1112 D CA 0.696 54.733 54.000 0.062 0.000 0.827 1112 D CB -0.542 40.299 40.800 0.069 0.000 0.966 1112 D HN 0.139 nan 8.370 nan 0.000 0.456 1113 F N 1.687 121.636 119.950 -0.002 0.000 2.095 1113 F HA -0.159 4.368 4.527 0.000 0.000 0.298 1113 F C 2.193 177.991 175.800 -0.002 0.000 1.104 1113 F CA 1.107 59.106 58.000 -0.002 0.000 1.232 1113 F CB -0.493 38.506 39.000 -0.002 0.000 0.987 1113 F HN -0.159 nan 8.300 nan 0.000 0.475 1114 I N 0.314 120.696 120.570 -0.313 0.000 2.208 1114 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 1114 I C 2.593 178.537 176.117 -0.289 0.000 1.097 1114 I CA 1.956 63.027 61.300 -0.381 0.000 1.363 1114 I CB -0.662 37.269 38.000 -0.114 0.000 1.051 1114 I HN 0.298 nan 8.210 nan 0.000 0.413 1115 Q N 0.489 120.192 119.800 -0.161 0.000 2.123 1115 Q HA -0.140 4.200 4.340 -0.000 0.000 0.199 1115 Q C 2.317 178.246 176.000 -0.118 0.000 0.966 1115 Q CA 1.515 57.252 55.803 -0.110 0.000 0.845 1115 Q CB -0.087 28.617 28.738 -0.056 0.000 0.907 1115 Q HN 0.541 nan 8.270 nan 0.000 0.439 1116 A N 0.539 123.284 122.820 -0.124 0.000 1.902 1116 A HA -0.188 4.131 4.320 -0.000 0.000 0.217 1116 A C 1.957 179.458 177.584 -0.138 0.000 1.181 1116 A CA 1.394 53.376 52.037 -0.092 0.000 0.623 1116 A CB -0.785 18.197 19.000 -0.030 0.000 0.818 1116 A HN 0.487 nan 8.150 nan 0.000 0.443 1117 L N 0.297 121.351 121.223 -0.282 0.000 2.046 1117 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 1117 L C 1.891 178.659 176.870 -0.170 0.000 1.077 1117 L CA 2.844 57.519 54.840 -0.275 0.000 0.747 1117 L CB -0.769 40.977 42.059 -0.521 0.000 0.896 1117 L HN 0.493 nan 8.230 nan 0.000 0.432 1118 D N -0.858 119.442 120.400 -0.167 0.000 2.117 1118 D HA -0.235 4.405 4.640 -0.000 0.000 0.197 1118 D C 2.242 178.497 176.300 -0.075 0.000 0.987 1118 D CA 1.305 55.240 54.000 -0.108 0.000 0.829 1118 D CB -0.050 40.693 40.800 -0.096 0.000 0.961 1118 D HN 0.280 nan 8.370 nan 0.000 0.460 1119 K N -0.343 120.015 120.400 -0.070 0.000 2.057 1119 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 1119 K C 2.191 178.768 176.600 -0.039 0.000 1.049 1119 K CA 0.961 57.220 56.287 -0.046 0.000 0.931 1119 K CB -0.201 32.276 32.500 -0.038 0.000 0.714 1119 K HN 0.232 nan 8.250 nan 0.000 0.440 1120 M N 0.454 120.027 119.600 -0.044 0.000 2.086 1120 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 1120 M C 2.088 178.371 176.300 -0.029 0.000 1.067 1120 M CA 1.615 56.896 55.300 -0.031 0.000 1.116 1120 M CB -0.009 32.574 32.600 -0.029 0.000 1.348 1120 M HN 0.150 nan 8.290 nan 0.000 0.407 1121 M N -0.456 119.120 119.600 -0.039 0.000 2.108 1121 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 1121 M C 2.223 178.507 176.300 -0.026 0.000 1.066 1121 M CA 1.723 57.004 55.300 -0.032 0.000 1.107 1121 M CB -0.867 31.709 32.600 -0.040 0.000 1.356 1121 M HN 0.405 nan 8.290 nan 0.000 0.406 1122 L N -0.348 120.858 121.223 -0.029 0.000 2.109 1122 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 1122 L C 2.436 179.295 176.870 -0.018 0.000 1.086 1122 L CA 1.191 56.017 54.840 -0.023 0.000 0.760 1122 L CB -0.169 41.874 42.059 -0.026 0.000 0.910 1122 L HN 0.309 nan 8.230 nan 0.000 0.437 1123 E N -0.622 119.568 120.200 -0.018 0.000 2.170 1123 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 1123 E C 1.864 178.458 176.600 -0.011 0.000 0.981 1123 E CA 0.543 56.935 56.400 -0.014 0.000 0.830 1123 E CB 0.199 29.891 29.700 -0.014 0.000 0.775 1123 E HN 0.467 nan 8.360 nan 0.000 0.470 1124 N N 0.428 119.121 118.700 -0.011 0.000 2.142 1124 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 1124 N C 2.012 177.517 175.510 -0.008 0.000 1.023 1124 N CA 0.796 53.841 53.050 -0.008 0.000 0.852 1124 N CB -0.036 38.447 38.487 -0.008 0.000 0.998 1124 N HN 0.177 nan 8.380 nan 0.000 0.424 1125 L N 1.751 122.968 121.223 -0.010 0.000 1.994 1125 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 1125 L C 2.779 179.644 176.870 -0.008 0.000 1.071 1125 L CA 1.402 56.236 54.840 -0.010 0.000 0.745 1125 L CB -0.341 41.711 42.059 -0.012 0.000 0.892 1125 L HN 0.276 nan 8.230 nan 0.000 0.431 1126 Q N -0.905 118.890 119.800 -0.009 0.000 2.297 1126 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 1126 Q C 1.964 177.961 176.000 -0.006 0.000 0.962 1126 Q CA 1.376 57.174 55.803 -0.008 0.000 0.879 1126 Q CB -0.327 28.406 28.738 -0.009 0.000 0.947 1126 Q HN 0.559 nan 8.270 nan 0.000 0.462 1127 Q N 0.304 120.101 119.800 -0.006 0.000 2.378 1127 Q HA -0.076 4.264 4.340 -0.000 0.000 0.205 1127 Q C 1.901 177.898 176.000 -0.004 0.000 0.954 1127 Q CA 0.414 56.214 55.803 -0.005 0.000 0.901 1127 Q CB 0.238 28.973 28.738 -0.005 0.000 0.981 1127 Q HN 0.219 nan 8.270 nan 0.000 0.483 1128 R N 0.573 121.070 120.500 -0.004 0.000 2.062 1128 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 1128 R C 0.707 177.005 176.300 -0.003 0.000 1.136 1128 R CA 1.444 57.542 56.100 -0.004 0.000 0.948 1128 R CB -0.399 29.898 30.300 -0.004 0.000 0.845 1128 R HN 0.256 nan 8.270 nan 0.000 0.430 1168 T N 1.216 115.795 114.554 0.042 0.000 2.788 1168 T HA 0.632 4.982 4.350 -0.000 0.000 0.280 1168 T C -0.047 174.693 174.700 0.068 0.000 0.984 1168 T CA -0.085 62.049 62.100 0.057 0.000 0.972 1168 T CB 0.823 69.720 68.868 0.049 0.000 1.039 1168 T HN 0.144 nan 8.240 nan 0.000 0.530 1169 M N 2.780 122.439 119.600 0.098 0.000 2.322 1169 M HA 0.437 4.917 4.480 -0.000 0.000 0.285 1169 M C -2.887 173.488 176.300 0.125 0.000 1.119 1169 M CA -1.889 53.468 55.300 0.094 0.000 0.953 1169 M CB 2.588 35.276 32.600 0.147 0.000 1.701 1169 M HN 0.274 nan 8.290 nan 0.000 0.479 1170 P HA 0.483 nan 4.420 nan 0.000 0.279 1170 P C -1.604 175.671 177.300 -0.042 0.000 1.252 1170 P CA -0.044 63.078 63.100 0.036 0.000 0.811 1170 P CB 0.843 32.529 31.700 -0.024 0.000 1.035 1171 F N -0.313 119.644 119.950 0.012 0.000 2.588 1171 F HA 0.172 4.699 4.527 -0.000 0.000 0.318 1171 F C -0.212 175.603 175.800 0.025 0.000 1.155 1171 F CA -0.853 57.155 58.000 0.014 0.000 0.967 1171 F CB 1.947 40.961 39.000 0.024 0.000 1.236 1171 F HN -0.043 nan 8.300 nan 0.000 0.455 1172 V N 5.200 125.220 119.914 0.175 0.000 2.572 1172 V HA 0.175 4.295 4.120 -0.000 0.000 0.291 1172 V C 0.198 176.410 176.094 0.197 0.000 1.039 1172 V CA 0.014 62.407 62.300 0.154 0.000 1.055 1172 V CB 1.148 33.026 31.823 0.092 0.000 0.969 1172 V HN 0.721 nan 8.190 nan 0.000 0.482 1173 M N 6.006 125.709 119.600 0.172 0.000 2.243 1173 M HA 0.492 4.972 4.480 -0.000 0.000 0.324 1173 M C -0.963 175.429 176.300 0.152 0.000 1.031 1173 M CA -0.697 54.687 55.300 0.140 0.000 0.949 1173 M CB 1.358 34.013 32.600 0.091 0.000 1.615 1173 M HN 0.498 nan 8.290 nan 0.000 0.430 1174 L N 4.771 126.085 121.223 0.152 0.000 2.453 1174 L HA 0.349 4.689 4.340 -0.000 0.000 0.272 1174 L C 0.010 176.885 176.870 0.008 0.000 1.182 1174 L CA 0.324 55.240 54.840 0.127 0.000 0.858 1174 L CB 0.875 43.018 42.059 0.139 0.000 1.120 1174 L HN 0.830 nan 8.230 nan 0.000 0.474 1175 T N 1.991 116.485 114.554 -0.100 0.000 2.647 1175 T HA 0.658 5.008 4.350 -0.000 0.000 0.295 1175 T C -0.760 173.843 174.700 -0.162 0.000 1.126 1175 T CA -1.110 60.927 62.100 -0.104 0.000 1.040 1175 T CB 1.836 70.652 68.868 -0.087 0.000 1.472 1175 T HN 0.444 nan 8.240 nan 0.000 0.500 1176 R N -0.299 120.129 120.500 -0.121 0.000 2.739 1176 R HA 0.624 4.964 4.340 -0.000 0.000 0.271 1176 R C -1.484 174.762 176.300 -0.089 0.000 1.010 1176 R CA -0.970 55.059 56.100 -0.119 0.000 0.897 1176 R CB 2.200 32.453 30.300 -0.079 0.000 1.236 1176 R HN 0.532 nan 8.270 nan 0.000 0.466 1177 K N 1.276 121.626 120.400 -0.083 0.000 2.579 1177 K HA 0.333 4.653 4.320 -0.000 0.000 0.225 1177 K C 0.207 176.782 176.600 -0.043 0.000 0.992 1177 K CA 0.414 56.667 56.287 -0.058 0.000 1.018 1177 K CB 0.991 33.456 32.500 -0.059 0.000 1.249 1177 K HN 0.782 nan 8.250 nan 0.000 0.489 1178 G N 3.688 112.468 108.800 -0.034 0.000 2.595 1178 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.297 1178 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.297 1178 G C -0.091 174.792 174.900 -0.029 0.000 1.181 1178 G CA 0.310 45.395 45.100 -0.026 0.000 0.963 1178 G HN 0.591 nan 8.290 nan 0.000 0.541 1179 N N 1.324 120.008 118.700 -0.027 0.000 2.672 1179 N HA 0.382 5.122 4.740 -0.000 0.000 0.295 1179 N C -1.111 174.381 175.510 -0.030 0.000 1.924 1179 N CA -0.100 52.933 53.050 -0.028 0.000 0.851 1179 N CB 0.680 39.157 38.487 -0.017 0.000 1.281 1179 N HN 0.462 nan 8.380 nan 0.000 0.494 1180 K N 1.021 121.395 120.400 -0.044 0.000 2.463 1180 K HA 0.340 4.660 4.320 -0.000 0.000 0.255 1180 K C -0.318 176.221 176.600 -0.101 0.000 0.942 1180 K CA -0.561 55.696 56.287 -0.051 0.000 0.814 1180 K CB 2.385 34.865 32.500 -0.033 0.000 1.122 1180 K HN 0.237 nan 8.250 nan 0.000 0.425 1181 Q N 1.253 120.963 119.800 -0.149 0.000 2.471 1181 Q HA 0.188 4.528 4.340 -0.000 0.000 0.223 1181 Q C -0.460 175.263 176.000 -0.462 0.000 1.045 1181 Q CA 0.157 55.770 55.803 -0.317 0.000 0.956 1181 Q CB 0.715 29.206 28.738 -0.411 0.000 1.249 1181 Q HN 0.345 nan 8.270 nan 0.000 0.549 1182 Q N 0.269 119.670 119.800 -0.664 0.000 2.320 1182 Q HA 0.363 4.703 4.340 -0.000 0.000 0.272 1182 Q C -1.693 173.904 176.000 -0.671 0.000 1.023 1182 Q CA -0.368 55.076 55.803 -0.599 0.000 0.855 1182 Q CB 1.532 30.128 28.738 -0.236 0.000 1.367 1182 Q HN 0.483 nan 8.270 nan 0.000 0.406 1183 F N 1.850 121.808 119.950 0.013 0.000 2.311 1183 F HA 0.456 4.983 4.527 -0.000 0.000 0.371 1183 F C 0.120 175.931 175.800 0.019 0.000 1.083 1183 F CA -0.782 57.229 58.000 0.017 0.000 1.113 1183 F CB 0.814 39.823 39.000 0.015 0.000 1.349 1183 F HN -0.017 nan 8.300 nan 0.000 0.470 1184 K N 3.755 124.233 120.400 0.130 0.000 2.138 1184 K HA 0.570 4.890 4.320 -0.000 0.000 0.263 1184 K C -0.374 176.285 176.600 0.100 0.000 0.965 1184 K CA -0.774 55.567 56.287 0.091 0.000 0.868 1184 K CB 2.655 35.182 32.500 0.045 0.000 1.083 1184 K HN 0.550 nan 8.250 nan 0.000 0.443 1185 I N 3.866 124.487 120.570 0.085 0.000 2.474 1185 I HA 0.170 4.340 4.170 -0.000 0.000 0.287 1185 I C -0.180 175.989 176.117 0.086 0.000 1.048 1185 I CA -0.384 60.968 61.300 0.087 0.000 1.383 1185 I CB 0.546 38.583 38.000 0.062 0.000 1.412 1185 I HN 0.289 nan 8.210 nan 0.000 0.531 1186 L N 6.526 127.820 121.223 0.119 0.000 2.362 1186 L HA 0.436 4.776 4.340 -0.000 0.000 0.271 1186 L C -0.535 176.421 176.870 0.143 0.000 1.002 1186 L CA -0.889 54.019 54.840 0.112 0.000 0.818 1186 L CB 1.690 43.811 42.059 0.103 0.000 1.298 1186 L HN 0.522 nan 8.230 nan 0.000 0.420 1187 N N 2.605 121.367 118.700 0.103 0.000 2.558 1187 N HA 0.221 4.960 4.740 -0.000 0.000 0.233 1187 N C -0.543 175.031 175.510 0.107 0.000 1.038 1187 N CA -0.209 52.905 53.050 0.106 0.000 0.934 1187 N CB 1.620 40.148 38.487 0.068 0.000 1.175 1187 N HN 0.182 nan 8.380 nan 0.000 0.512 1188 V N 4.009 124.023 119.914 0.168 0.000 2.583 1188 V HA 0.238 4.357 4.120 -0.000 0.000 0.287 1188 V C -1.778 174.384 176.094 0.112 0.000 1.051 1188 V CA -1.322 61.052 62.300 0.123 0.000 1.010 1188 V CB 1.044 32.959 31.823 0.154 0.000 0.988 1188 V HN 0.441 nan 8.190 nan 0.000 0.478 1189 P HA 0.205 nan 4.420 nan 0.000 0.278 1189 P C 0.537 177.879 177.300 0.071 0.000 1.238 1189 P CA -0.451 62.686 63.100 0.060 0.000 0.794 1189 P CB 0.699 32.421 31.700 0.037 0.000 0.955 1190 M N 1.024 120.666 119.600 0.069 0.000 2.549 1190 M HA -0.070 4.410 4.480 -0.000 0.000 0.260 1190 M C 1.529 177.856 176.300 0.045 0.000 1.076 1190 M CA 1.238 56.580 55.300 0.071 0.000 1.090 1190 M CB -1.466 31.171 32.600 0.062 0.000 1.418 1190 M HN 0.304 nan 8.290 nan 0.000 0.486 1191 S N 0.061 115.781 115.700 0.033 0.000 2.368 1191 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 1191 S C 1.223 175.831 174.600 0.013 0.000 1.029 1191 S CA 0.442 58.654 58.200 0.019 0.000 0.988 1191 S CB -0.201 63.009 63.200 0.016 0.000 0.838 1191 S HN 0.560 nan 8.310 nan 0.000 0.462 1192 S N 0.794 116.504 115.700 0.016 0.000 2.560 1192 S HA -0.001 4.469 4.470 -0.000 0.000 0.276 1192 S C 1.247 175.845 174.600 -0.004 0.000 1.350 1192 S CA -0.200 58.001 58.200 0.001 0.000 1.024 1192 S CB 0.414 63.610 63.200 -0.006 0.000 0.864 1192 S HN 0.425 nan 8.310 nan 0.000 0.536 1193 Q N 0.921 120.711 119.800 -0.018 0.000 2.167 1193 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 1193 Q C 1.924 177.910 176.000 -0.024 0.000 0.970 1193 Q CA 1.246 57.035 55.803 -0.024 0.000 0.855 1193 Q CB -0.204 28.518 28.738 -0.027 0.000 0.911 1193 Q HN 0.725 nan 8.270 nan 0.000 0.438 1194 L N 0.286 121.489 121.223 -0.034 0.000 2.056 1194 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 1194 L C 2.151 179.091 176.870 0.116 0.000 1.078 1194 L CA 1.770 56.590 54.840 -0.034 0.000 0.749 1194 L CB -0.494 41.433 42.059 -0.221 0.000 0.901 1194 L HN 0.101 nan 8.230 nan 0.000 0.433 1195 A N -0.690 122.208 122.820 0.130 0.000 1.930 1195 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 1195 A C 2.146 179.788 177.584 0.097 0.000 1.175 1195 A CA 1.238 53.425 52.037 0.250 0.000 0.627 1195 A CB -0.922 18.191 19.000 0.188 0.000 0.815 1195 A HN 0.462 nan 8.150 nan 0.000 0.443 1196 A N -1.614 121.201 122.820 -0.008 0.000 2.291 1196 A HA 0.291 4.611 4.320 -0.000 0.000 0.220 1196 A C 1.068 178.535 177.584 -0.195 0.000 1.262 1196 A CA 0.980 52.968 52.037 -0.081 0.000 0.867 1196 A CB -0.611 18.366 19.000 -0.037 0.000 0.888 1196 A HN 0.687 nan 8.150 nan 0.000 0.487 1197 N N -2.649 115.852 118.700 -0.332 0.000 2.228 1197 N HA 0.084 4.824 4.740 -0.000 0.000 0.299 1197 N C -0.688 174.596 175.510 -0.375 0.000 0.829 1197 N CA 0.009 52.872 53.050 -0.311 0.000 0.772 1197 N CB 0.481 38.904 38.487 -0.107 0.000 2.041 1197 N HN 0.348 nan 8.380 nan 0.000 1.019 1198 H N 0.000 119.146 119.070 0.127 0.000 2.539 1198 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1198 H CA 0.000 56.165 56.048 0.196 0.000 1.023 1198 H CB 0.000 29.846 29.762 0.139 0.000 1.292 1198 H HN 0.000 nan 8.280 nan 0.000 0.496