data_nef_c25719_2n5k save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25718 BMRB 25720 PDB 2N5K stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 8 CYS SG 1 20 CYS SG 1 24 HIS NE2 2 1 ZN ZN 1 20 CYS SG 2 1 ZN ZN 1 14 CYS SG 2 1 ZN ZN 1 8 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 299 SER start . . 2 A 300 GLU middle . . 3 A 301 HIS middle . . 4 A 302 ARG middle . . 5 A 303 LYS middle . . 6 A 304 GLN middle . . 7 A 305 PRO middle . false 8 A 306 CYS middle -HG . 9 A 307 PRO middle . false 10 A 308 TYR middle . . 11 A 309 GLY middle . false 12 A 310 LYS middle . . 13 A 311 LYS middle . . 14 A 312 CYS middle -HG . 15 A 313 THR middle . . 16 A 314 TYR middle . . 17 A 315 GLY middle . false 18 A 316 ILE middle . . 19 A 317 LYS middle . . 20 A 318 CYS middle -HG . 21 A 319 ARG middle . . 22 A 320 PHE middle . . 23 A 321 PHE middle . . 24 A 322 HIS middle -HE2 . 25 A 323 PRO middle . false 26 A 324 GLU middle . . 27 A 325 ARG middle . . 28 A 326 PRO middle . false 29 A 327 SER end . . 30 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 299 SER H1 H 1 8.503 0.001 A 299 SER HA H 1 4.389 0.001 A 299 SER HBx H 1 3.902 0.001 A 299 SER HBy H 1 3.902 0.001 A 299 SER CA C 13 58.588 0.01 A 299 SER CB C 13 63.851 0.01 A 299 SER N N 15 117.382 0.03 A 300 GLU H H 1 8.518 0.001 A 300 GLU HA H 1 4.218 0.001 A 300 GLU HBy H 1 1.972 0.001 A 300 GLU HBx H 1 1.886 0.001 A 300 GLU HGy H 1 2.199 0.001 A 300 GLU HGx H 1 2.157 0.001 A 300 GLU CA C 13 56.679 0.01 A 300 GLU CB C 13 30.147 0.01 A 300 GLU CG C 13 36.201 0.01 A 300 GLU N N 15 122.933 0.03 A 301 HIS H H 1 8.291 0.001 A 301 HIS HA H 1 4.573 0.001 A 301 HIS HBy H 1 3.084 0.001 A 301 HIS HBx H 1 2.989 0.001 A 301 HIS HD2 H 1 7.120 0.001 A 301 HIS HE1 H 1 7.960 0.001 A 301 HIS CA C 13 56.343 0.01 A 301 HIS CB C 13 30.299 0.01 A 301 HIS CD2 C 13 119.960 0.01 A 301 HIS CE1 C 13 138.070 0.01 A 301 HIS N N 15 120.364 0.03 A 302 ARG H H 1 8.187 0.001 A 302 ARG HA H 1 4.229 0.001 A 302 ARG HBy H 1 1.799 0.001 A 302 ARG HBx H 1 1.713 0.001 A 302 ARG HDx H 1 3.092 0.001 A 302 ARG HDy H 1 3.092 0.001 A 302 ARG HGx H 1 1.516 0.001 A 302 ARG HGy H 1 1.516 0.001 A 302 ARG CA C 13 56.291 0.01 A 302 ARG CB C 13 30.558 0.01 A 302 ARG CD C 13 43.303 0.01 A 302 ARG CG C 13 27.079 0.01 A 302 ARG N N 15 121.120 0.03 A 303 LYS H H 1 8.288 0.001 A 303 LYS HA H 1 4.299 0.001 A 303 LYS HBy H 1 1.733 0.001 A 303 LYS HBx H 1 1.633 0.001 A 303 LYS HDx H 1 1.464 0.001 A 303 LYS HDy H 1 1.464 0.001 A 303 LYS HEx H 1 2.812 0.001 A 303 LYS HEy H 1 2.812 0.001 A 303 LYS HGy H 1 1.366 0.001 A 303 LYS HGx H 1 1.286 0.001 A 303 LYS CA C 13 55.926 0.01 A 303 LYS CB C 13 33.441 0.01 A 303 LYS CD C 13 29.076 0.01 A 303 LYS CE C 13 42.039 0.01 A 303 LYS CG C 13 25.092 0.01 A 303 LYS N N 15 121.485 0.03 A 304 GLN H H 1 8.469 0.001 A 304 GLN HA H 1 4.658 0.001 A 304 GLN HBy H 1 2.237 0.001 A 304 GLN HBx H 1 2.164 0.001 A 304 GLN HE2x H 1 6.889 0.001 A 304 GLN HE2y H 1 7.463 0.001 A 304 GLN HGx H 1 2.478 0.001 A 304 GLN HGy H 1 2.478 0.001 A 304 GLN CA C 13 53.526 0.01 A 304 GLN CB C 13 29.366 0.01 A 304 GLN CG C 13 33.466 0.01 A 304 GLN N N 15 122.683 0.03 A 304 GLN NE2 N 15 112.015 0.03 A 305 PRO HA H 1 4.627 0.001 A 305 PRO HBx H 1 1.806 0.001 A 305 PRO HBy H 1 2.232 0.001 A 305 PRO HDy H 1 3.917 0.001 A 305 PRO HDx H 1 3.682 0.001 A 305 PRO HGy H 1 2.050 0.001 A 305 PRO HGx H 1 1.993 0.001 A 305 PRO CA C 13 62.432 0.01 A 305 PRO CB C 13 32.132 0.01 A 305 PRO CD C 13 50.815 0.01 A 305 PRO CG C 13 27.713 0.01 A 306 CYS H H 1 8.035 0.001 A 306 CYS HA H 1 3.865 0.001 A 306 CYS HBy H 1 2.322 0.001 A 306 CYS HBx H 1 2.071 0.001 A 306 CYS CA C 13 57.591 0.01 A 306 CYS CB C 13 30.810 0.01 A 306 CYS N N 15 125.542 0.03 A 307 PRO HA H 1 4.167 0.001 A 307 PRO HBx H 1 1.272 0.001 A 307 PRO HBy H 1 1.916 0.001 A 307 PRO HDy H 1 3.301 0.001 A 307 PRO HDx H 1 2.582 0.001 A 307 PRO HGy H 1 1.376 0.001 A 307 PRO HGx H 1 0.899 0.001 A 307 PRO CA C 13 63.853 0.01 A 307 PRO CB C 13 31.835 0.01 A 307 PRO CD C 13 50.897 0.01 A 307 PRO CG C 13 25.852 0.01 A 308 TYR H H 1 8.455 0.001 A 308 TYR HA H 1 4.533 0.001 A 308 TYR HBy H 1 3.071 0.001 A 308 TYR HBx H 1 2.937 0.001 A 308 TYR HDx H 1 7.348 0.001 A 308 TYR HDy H 1 7.348 0.001 A 308 TYR HEx H 1 6.967 0.001 A 308 TYR HEy H 1 6.967 0.001 A 308 TYR CA C 13 58.044 0.01 A 308 TYR CB C 13 37.992 0.01 A 308 TYR CDx C 13 133.472 0.01 A 308 TYR CDy C 13 133.472 0.01 A 308 TYR CEx C 13 118.490 0.01 A 308 TYR CEy C 13 118.490 0.01 A 308 TYR N N 15 119.626 0.03 A 309 GLY H H 1 7.605 0.001 A 309 GLY HAy H 1 4.001 0.001 A 309 GLY HAx H 1 3.904 0.001 A 309 GLY CA C 13 46.994 0.01 A 309 GLY N N 15 108.997 0.03 A 310 LYS H H 1 9.043 0.001 A 310 LYS HA H 1 4.263 0.001 A 310 LYS HBy H 1 1.964 0.001 A 310 LYS HBx H 1 1.879 0.001 A 310 LYS HDx H 1 1.743 0.001 A 310 LYS HDy H 1 1.743 0.001 A 310 LYS HEx H 1 3.018 0.001 A 310 LYS HEy H 1 3.018 0.001 A 310 LYS HGx H 1 1.563 0.001 A 310 LYS HGy H 1 1.563 0.001 A 310 LYS CA C 13 58.047 0.01 A 310 LYS CB C 13 32.149 0.01 A 310 LYS CD C 13 29.231 0.01 A 310 LYS CE C 13 42.067 0.01 A 310 LYS CG C 13 25.178 0.01 A 310 LYS N N 15 125.235 0.03 A 311 LYS H H 1 7.940 0.001 A 311 LYS HA H 1 4.368 0.001 A 311 LYS HBy H 1 2.083 0.001 A 311 LYS HBx H 1 1.890 0.001 A 311 LYS HDx H 1 1.709 0.001 A 311 LYS HDy H 1 1.709 0.001 A 311 LYS HEx H 1 3.018 0.001 A 311 LYS HEy H 1 3.018 0.001 A 311 LYS HGy H 1 1.566 0.001 A 311 LYS HGx H 1 1.454 0.001 A 311 LYS CA C 13 55.435 0.01 A 311 LYS CB C 13 31.838 0.01 A 311 LYS CD C 13 28.854 0.01 A 311 LYS CE C 13 42.067 0.01 A 311 LYS CG C 13 25.495 0.01 A 311 LYS N N 15 116.882 0.03 A 312 CYS H H 1 7.433 0.001 A 312 CYS HA H 1 3.888 0.001 A 312 CYS HBy H 1 3.622 0.001 A 312 CYS HBx H 1 2.991 0.001 A 312 CYS CA C 13 61.911 0.01 A 312 CYS CB C 13 30.803 0.01 A 312 CYS N N 15 123.045 0.03 A 313 THR H H 1 8.316 0.001 A 313 THR HA H 1 4.405 0.001 A 313 THR HB H 1 4.315 0.001 A 313 THR HG2% H 1 1.093 0.001 A 313 THR CA C 13 61.848 0.01 A 313 THR CB C 13 69.207 0.01 A 313 THR CG2 C 13 21.273 0.01 A 313 THR N N 15 120.194 0.03 A 314 TYR H H 1 8.728 0.001 A 314 TYR HA H 1 4.400 0.001 A 314 TYR HBy H 1 2.961 0.001 A 314 TYR HBx H 1 2.848 0.001 A 314 TYR HDx H 1 7.395 0.001 A 314 TYR HDy H 1 7.395 0.001 A 314 TYR HEx H 1 6.767 0.001 A 314 TYR HEy H 1 6.767 0.001 A 314 TYR CA C 13 59.549 0.01 A 314 TYR CB C 13 38.638 0.01 A 314 TYR CDx C 13 133.286 0.01 A 314 TYR CDy C 13 133.286 0.01 A 314 TYR CEx C 13 118.378 0.01 A 314 TYR CEy C 13 118.378 0.01 A 314 TYR N N 15 122.995 0.03 A 315 GLY H H 1 8.264 0.001 A 315 GLY HAy H 1 3.978 0.001 A 315 GLY HAx H 1 3.678 0.001 A 315 GLY CA C 13 46.248 0.01 A 315 GLY N N 15 110.767 0.03 A 316 ILE H H 1 8.709 0.001 A 316 ILE HA H 1 4.150 0.001 A 316 ILE HB H 1 2.047 0.001 A 316 ILE HD1% H 1 0.921 0.001 A 316 ILE HG1x H 1 1.389 0.001 A 316 ILE HG1y H 1 1.389 0.001 A 316 ILE HG2% H 1 1.002 0.001 A 316 ILE CA C 13 62.797 0.01 A 316 ILE CB C 13 38.240 0.01 A 316 ILE CD1 C 13 14.090 0.01 A 316 ILE CG1 C 13 27.398 0.01 A 316 ILE CG2 C 13 17.947 0.01 A 316 ILE N N 15 123.119 0.03 A 317 LYS H H 1 7.749 0.001 A 317 LYS HA H 1 4.310 0.001 A 317 LYS HBx H 1 2.040 0.001 A 317 LYS HBy H 1 2.040 0.001 A 317 LYS HDx H 1 1.747 0.001 A 317 LYS HDy H 1 1.747 0.001 A 317 LYS HEx H 1 3.018 0.001 A 317 LYS HEy H 1 3.018 0.001 A 317 LYS HGy H 1 1.543 0.001 A 317 LYS HGx H 1 1.434 0.001 A 317 LYS CA C 13 55.778 0.01 A 317 LYS CB C 13 32.050 0.01 A 317 LYS CD C 13 28.854 0.01 A 317 LYS CE C 13 42.067 0.01 A 317 LYS CG C 13 25.283 0.01 A 317 LYS N N 15 118.582 0.03 A 318 CYS H H 1 7.561 0.001 A 318 CYS HA H 1 3.939 0.001 A 318 CYS HBy H 1 3.123 0.001 A 318 CYS HBx H 1 2.980 0.001 A 318 CYS CA C 13 61.962 0.01 A 318 CYS CB C 13 30.054 0.01 A 318 CYS N N 15 123.461 0.03 A 319 ARG H H 1 8.625 0.001 A 319 ARG HA H 1 4.298 0.001 A 319 ARG HBy H 1 1.649 0.001 A 319 ARG HBx H 1 1.446 0.001 A 319 ARG HDx H 1 2.988 0.001 A 319 ARG HDy H 1 2.988 0.001 A 319 ARG HGy H 1 1.410 0.001 A 319 ARG HGx H 1 1.121 0.001 A 319 ARG CA C 13 56.586 0.01 A 319 ARG CB C 13 30.015 0.01 A 319 ARG CD C 13 43.237 0.01 A 319 ARG CG C 13 26.518 0.01 A 319 ARG N N 15 127.758 0.03 A 320 PHE H H 1 9.146 0.001 A 320 PHE HA H 1 4.882 0.001 A 320 PHE HBy H 1 3.345 0.001 A 320 PHE HBx H 1 3.056 0.001 A 320 PHE HDx H 1 7.556 0.001 A 320 PHE HDy H 1 7.556 0.001 A 320 PHE HEx H 1 7.326 0.001 A 320 PHE HEy H 1 7.326 0.001 A 320 PHE HZ H 1 7.267 0.001 A 320 PHE CA C 13 57.685 0.01 A 320 PHE CB C 13 40.019 0.01 A 320 PHE CDx C 13 132.865 0.01 A 320 PHE CDy C 13 132.865 0.01 A 320 PHE CEx C 13 130.950 0.01 A 320 PHE CEy C 13 130.950 0.01 A 320 PHE CZ C 13 129.763 0.01 A 320 PHE N N 15 122.663 0.03 A 321 PHE H H 1 8.634 0.001 A 321 PHE HA H 1 4.712 0.001 A 321 PHE HBy H 1 3.040 0.001 A 321 PHE HBx H 1 2.581 0.001 A 321 PHE HDx H 1 7.132 0.001 A 321 PHE HDy H 1 7.132 0.001 A 321 PHE HEx H 1 7.364 0.001 A 321 PHE HEy H 1 7.364 0.001 A 321 PHE HZ H 1 7.360 0.001 A 321 PHE CA C 13 57.782 0.01 A 321 PHE CB C 13 40.304 0.01 A 321 PHE CDx C 13 131.530 0.01 A 321 PHE CDy C 13 131.530 0.01 A 321 PHE CEx C 13 131.593 0.01 A 321 PHE CEy C 13 131.593 0.01 A 321 PHE CZ C 13 130.134 0.01 A 321 PHE N N 15 118.897 0.03 A 322 HIS H H 1 8.353 0.001 A 322 HIS HA H 1 4.676 0.001 A 322 HIS HBy H 1 2.917 0.001 A 322 HIS HBx H 1 2.817 0.001 A 322 HIS HD2 H 1 7.000 0.001 A 322 HIS HE1 H 1 8.145 0.001 A 322 HIS CA C 13 53.685 0.01 A 322 HIS CB C 13 30.210 0.01 A 322 HIS CD2 C 13 126.476 0.01 A 322 HIS CE1 C 13 140.073 0.01 A 322 HIS N N 15 128.020 0.03 A 323 PRO HA H 1 4.053 0.001 A 323 PRO HBx H 1 1.932 0.001 A 323 PRO HBy H 1 2.311 0.001 A 323 PRO HDy H 1 3.730 0.001 A 323 PRO HDx H 1 3.112 0.001 A 323 PRO HGy H 1 1.998 0.001 A 323 PRO HGx H 1 1.922 0.001 A 323 PRO CA C 13 63.365 0.01 A 323 PRO CB C 13 31.931 0.01 A 323 PRO CD C 13 50.740 0.01 A 323 PRO CG C 13 26.852 0.01 A 324 GLU H H 1 9.277 0.001 A 324 GLU HA H 1 4.262 0.001 A 324 GLU HBx H 1 2.028 0.001 A 324 GLU HBy H 1 2.028 0.001 A 324 GLU HGy H 1 2.375 0.001 A 324 GLU HGx H 1 2.202 0.001 A 324 GLU CA C 13 56.571 0.01 A 324 GLU CB C 13 29.255 0.01 A 324 GLU CG C 13 35.997 0.01 A 324 GLU N N 15 119.489 0.03 A 325 ARG H H 1 7.958 0.001 A 325 ARG HA H 1 4.675 0.001 A 325 ARG HBy H 1 1.857 0.001 A 325 ARG HBx H 1 1.749 0.001 A 325 ARG HDx H 1 3.220 0.001 A 325 ARG HDy H 1 3.220 0.001 A 325 ARG HGy H 1 1.695 0.001 A 325 ARG HGx H 1 1.641 0.001 A 325 ARG CA C 13 53.943 0.01 A 325 ARG CB C 13 30.458 0.01 A 325 ARG CD C 13 43.524 0.01 A 325 ARG CG C 13 26.726 0.01 A 325 ARG N N 15 123.290 0.03 A 326 PRO HA H 1 4.493 0.001 A 326 PRO HBx H 1 1.917 0.001 A 326 PRO HBy H 1 2.330 0.001 A 326 PRO HDy H 1 3.812 0.001 A 326 PRO HDx H 1 3.642 0.001 A 326 PRO HGx H 1 2.017 0.001 A 326 PRO HGy H 1 2.017 0.001 A 326 PRO CA C 13 63.231 0.01 A 326 PRO CB C 13 32.195 0.01 A 326 PRO CD C 13 50.666 0.01 A 326 PRO CG C 13 27.438 0.01 A 327 SER H H 1 8.560 0.001 A 327 SER HA H 1 4.454 0.001 A 327 SER HBx H 1 3.921 0.001 A 327 SER HBy H 1 3.921 0.001 A 327 SER CA C 13 58.346 0.01 A 327 SER CB C 13 64.056 0.01 A 327 SER N N 15 117.096 0.03 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 302 ARG H A 304 GLN H 1.0 . 4.37 2 2 A 304 GLN H A 300 GLU HA 1.0 . 4.66 3 3 A 304 GLN H A 302 ARG HA 1.0 . 5.31 4 4 A 304 GLN H A 301 HIS HA 1.0 . 5.50 5 5 A 304 GLN H A 300 GLU HBx 1.0 . 4.82 6 6 A 304 GLN H A 300 GLU HBy 1.0 . 4.82 7 7 A 302 ARG H A 303 LYS HA 1.0 . 4.75 8 8 A 302 ARG H A 302 ARG HGx 1.0 . 4.64 9 8 A 302 ARG H A 302 ARG HGy 1.0 . 4.64 10 9 A 308 TYR H A 308 TYR HD% 1.0 . 3.80 11 10 A 308 TYR H A 312 CYS H 1.0 . 4.80 12 11 A 308 TYR H A 307 PRO HDy 1.0 . 3.35 13 12 A 308 TYR H A 312 CYS HBx 1.0 . 5.26 14 13 A 308 TYR H A 306 CYS HA 1.0 . 4.22 15 14 A 308 TYR H A 309 GLY HAx 1.0 . 4.63 16 15 A 308 TYR H A 309 GLY HAy 1.0 . 4.91 17 16 A 308 TYR H A 308 TYR HBx 1.0 . 3.72 18 17 A 308 TYR H A 308 TYR HBy 1.0 . 2.99 19 18 A 308 TYR H A 307 PRO HGy 1.0 . 3.69 20 19 A 308 TYR H A 307 PRO HGx 1.0 . 4.45 21 20 A 308 TYR H A 306 CYS HBy 1.0 . 5.00 22 21 A 308 TYR H A 306 CYS HBx 1.0 . 4.24 23 22 A 308 TYR H A 307 PRO HDx 1.0 . 4.11 24 23 A 308 TYR H A 309 GLY H 1.0 . 2.84 25 24 A 309 GLY H A 322 HIS HE1 1.0 . 4.50 26 25 A 309 GLY H A 311 LYS H 1.0 . 4.62 27 26 A 309 GLY HAy A 309 GLY H 1.0 . 2.91 28 27 A 309 GLY HAx A 309 GLY H 1.0 . 2.88 29 28 A 312 CYS HBx A 309 GLY H 1.0 . 4.56 30 29 A 307 PRO HDy A 309 GLY H 1.0 . 4.96 31 30 A 308 TYR HBx A 309 GLY H 1.0 . 4.18 32 31 A 309 GLY H A 312 CYS HBy 1.0 . 3.95 33 32 A 308 TYR HBy A 309 GLY H 1.0 . 3.78 34 33 A 306 CYS HBx A 309 GLY H 1.0 . 3.42 35 34 A 306 CYS HBy A 309 GLY H 1.0 . 4.48 36 35 A 312 CYS H A 311 LYS H 1.0 . 2.96 37 36 A 312 CYS HBx A 311 LYS H 1.0 . 5.25 38 37 A 309 GLY HAx A 311 LYS H 1.0 . 4.24 39 38 A 309 GLY HAy A 311 LYS H 1.0 . 4.97 40 39 A 308 TYR HBy A 311 LYS H 1.0 . 4.65 41 40 A 311 LYS H A 310 LYS HEx 1.0 . 4.90 42 40 A 311 LYS H A 310 LYS HEy 1.0 . 4.90 43 41 A 311 LYS H A 311 LYS HEx 1.0 . 5.50 44 41 A 311 LYS H A 311 LYS HEy 1.0 . 5.50 45 42 A 311 LYS H A 312 CYS HBy 1.0 . 5.42 46 43 A 308 TYR HBx A 311 LYS H 1.0 . 4.31 47 44 A 311 LYS H A 311 LYS HBx 1.0 . 3.69 48 45 A 311 LYS H A 310 LYS HBy 1.0 . 3.73 49 46 A 311 LYS H A 311 LYS HBy 1.0 . 2.93 50 47 A 311 LYS H A 311 LYS HDx 1.0 . 3.97 51 47 A 311 LYS H A 311 LYS HDy 1.0 . 3.97 52 48 A 311 LYS H A 310 LYS HGx 1.0 . 3.53 53 48 A 311 LYS H A 310 LYS HGy 1.0 . 3.53 54 49 A 311 LYS H A 311 LYS HGx 1.0 . 3.60 55 50 A 314 TYR H A 314 TYR HD% 1.0 . 4.03 56 51 A 312 CYS HBx A 314 TYR H 1.0 . 4.73 57 52 A 314 TYR H A 312 CYS HA 1.0 . 4.29 58 53 A 314 TYR H A 313 THR HB 1.0 . 4.06 59 54 A 314 TYR H A 314 TYR HBy 1.0 . 2.90 60 55 A 314 TYR H A 314 TYR HBx 1.0 . 3.64 61 56 A 314 TYR H A 313 THR HG2% 1.0 . 5.00 62 57 A 316 ILE H A 317 LYS H 1.0 . 3.94 63 58 A 317 LYS H A 318 CYS H 1.0 . 5.24 64 59 A 317 LYS H A 314 TYR HA 1.0 . 4.58 65 60 A 317 LYS H A 315 GLY HAy 1.0 . 5.14 66 61 A 317 LYS H A 318 CYS HA 1.0 . 5.50 67 62 A 317 LYS H A 315 GLY HAx 1.0 . 5.14 68 63 A 314 TYR HBx A 317 LYS H 1.0 . 4.07 69 64 A 314 TYR HBy A 317 LYS H 1.0 . 5.10 70 65 A 317 LYS H A 316 ILE HB 1.0 . 3.86 71 66 A 317 LYS H A 317 LYS HBx 1.0 . 4.04 72 66 A 317 LYS H A 317 LYS HBy 1.0 . 4.04 73 67 A 317 LYS H A 316 ILE HG2% 1.0 . 4.25 74 68 A 317 LYS H A 317 LYS HGx 1.0 . 3.72 75 69 A 317 LYS H A 317 LYS HGy 1.0 . 3.72 76 70 A 317 LYS H A 317 LYS HDx 1.0 . 4.68 77 70 A 317 LYS H A 317 LYS HDy 1.0 . 4.68 78 71 A 306 CYS H A 321 PHE H 1.0 . 4.18 79 72 A 321 PHE H A 320 PHE HD% 1.0 . 4.79 80 73 A 321 PHE H A 321 PHE HD% 1.0 . 4.69 81 74 A 321 PHE H A 322 HIS HD2 1.0 . 5.47 82 75 A 321 PHE H A 305 PRO HA 1.0 . 3.87 83 76 A 321 PHE H A 320 PHE HA 1.0 . 3.02 84 77 A 306 CYS HA A 321 PHE H 1.0 . 4.29 85 78 A 321 PHE H A 320 PHE HBx 1.0 . 3.06 86 79 A 321 PHE H A 321 PHE HBy 1.0 . 3.49 87 80 A 321 PHE H A 321 PHE HBx 1.0 . 2.98 88 81 A 306 CYS HBy A 321 PHE H 1.0 . 5.16 89 82 A 302 ARG H A 300 GLU HA 1.0 . 4.23 90 83 A 300 GLU HA A 303 LYS HDx 1.0 . 4.60 91 83 A 300 GLU HA A 303 LYS HDy 1.0 . 4.60 92 84 A 300 GLU HA A 303 LYS HBx 1.0 . 4.74 93 85 A 300 GLU HA A 303 LYS HBy 1.0 . 3.68 94 86 A 300 GLU HA A 304 GLN HBy 1.0 . 4.98 95 87 A 302 ARG HA A 302 ARG HGx 1.0 . 3.69 96 87 A 302 ARG HA A 302 ARG HGy 1.0 . 3.69 97 88 A 302 ARG HDy A 302 ARG HBx 1.0 . 4.02 98 88 A 302 ARG HBx A 302 ARG HDx 1.0 . 4.02 99 89 A 302 ARG HDy A 302 ARG HBy 1.0 . 4.02 100 89 A 302 ARG HBy A 302 ARG HDx 1.0 . 4.02 101 90 A 300 GLU HA A 303 LYS HGx 1.0 . 5.50 102 91 A 300 GLU HA A 303 LYS HGy 1.0 . 5.50 103 92 A 303 LYS HA A 302 ARG HDx 1.0 . 4.92 104 92 A 303 LYS HA A 302 ARG HDy 1.0 . 4.92 105 93 A 303 LYS HBx A 303 LYS HDx 1.0 . 3.11 106 93 A 303 LYS HDy A 303 LYS HBx 1.0 . 3.11 107 94 A 303 LYS HBy A 303 LYS HDx 1.0 . 3.91 108 94 A 303 LYS HDy A 303 LYS HBy 1.0 . 3.91 109 95 A 303 LYS HA A 303 LYS HGx 1.0 . 3.98 110 96 A 303 LYS HA A 303 LYS HGy 1.0 . 3.98 111 97 A 303 LYS HA A 303 LYS HDx 1.0 . 3.71 112 97 A 303 LYS HA A 303 LYS HDy 1.0 . 3.71 113 98 A 304 GLN HA A 305 PRO HDx 1.0 . 2.99 114 99 A 304 GLN HA A 305 PRO HDy 1.0 . 2.99 115 100 A 304 GLN HA A 304 GLN HGx 1.0 . 3.96 116 100 A 304 GLN HA A 304 GLN HGy 1.0 . 3.96 117 101 A 303 LYS HBy A 304 GLN HBy 1.0 . 4.21 118 102 A 304 GLN HBy A 304 GLN HGx 1.0 . 2.89 119 102 A 304 GLN HBy A 304 GLN HGy 1.0 . 2.89 120 103 A 304 GLN HBx A 304 GLN HGx 1.0 . 2.89 121 103 A 304 GLN HGy A 304 GLN HBx 1.0 . 2.89 122 104 A 304 GLN HGy A 300 GLU HBy 1.0 . 3.87 123 104 A 300 GLU HBy A 304 GLN HGx 1.0 . 3.87 124 105 A 304 GLN HGy A 300 GLU HBx 1.0 . 3.87 125 105 A 300 GLU HBx A 304 GLN HGx 1.0 . 3.87 126 106 A 306 CYS H A 305 PRO HA 1.0 . 3.00 127 107 A 306 CYS HA A 305 PRO HA 1.0 . 4.70 128 108 A 305 PRO HA A 321 PHE HBx 1.0 . 3.43 129 109 A 304 GLN HBx A 305 PRO HDy 1.0 . 4.36 130 110 A 304 GLN HBy A 305 PRO HDy 1.0 . 4.71 131 111 A 304 GLN HBy A 305 PRO HDx 1.0 . 4.71 132 112 A 304 GLN HBx A 305 PRO HDx 1.0 . 4.36 133 113 A 306 CYS HA A 320 PHE HD% 1.0 . 4.53 134 114 A 306 CYS HA A 309 GLY H 1.0 . 5.05 135 115 A 307 PRO HDy A 306 CYS HA 1.0 . 2.93 136 116 A 306 CYS HA A 320 PHE HBy 1.0 . 3.00 137 117 A 306 CYS HA A 320 PHE HA 1.0 . 4.76 138 118 A 306 CYS HA A 307 PRO HGx 1.0 . 5.50 139 119 A 306 CYS HA A 320 PHE HBx 1.0 . 3.55 140 120 A 306 CYS HA A 307 PRO HDx 1.0 . 3.14 141 121 A 307 PRO HDx A 306 CYS H 1.0 . 5.50 142 122 A 307 PRO HDx A 320 PHE HD% 1.0 . 5.45 143 123 A 307 PRO HDx A 320 PHE HE% 1.0 . 5.50 144 124 A 308 TYR HD% A 307 PRO HDy 1.0 . 5.50 145 125 A 307 PRO HDy A 320 PHE HE% 1.0 . 5.50 146 126 A 308 TYR HD% A 307 PRO HGy 1.0 . 5.46 147 127 A 309 GLY H A 307 PRO HA 1.0 . 5.32 148 128 A 306 CYS HA A 307 PRO HGy 1.0 . 5.50 149 129 A 307 PRO HGy A 312 CYS HA 1.0 . 5.50 150 130 A 307 PRO HGy A 320 PHE HBy 1.0 . 5.15 151 131 A 307 PRO HGx A 320 PHE HBy 1.0 . 4.78 152 132 A 307 PRO HDy A 320 PHE HBy 1.0 . 3.04 153 133 A 307 PRO HDx A 320 PHE HBy 1.0 . 3.16 154 134 A 307 PRO HDy A 306 CYS HBy 1.0 . 5.50 155 135 A 306 CYS HBy A 307 PRO HDx 1.0 . 5.50 156 136 A 312 CYS H A 308 TYR HBy 1.0 . 4.38 157 137 A 312 CYS H A 308 TYR HBx 1.0 . 4.39 158 138 A 312 CYS H A 308 TYR HA 1.0 . 4.56 159 139 A 309 GLY HAx A 308 TYR HA 1.0 . 4.72 160 140 A 312 CYS HBx A 308 TYR HBx 1.0 . 4.65 161 141 A 312 CYS HBx A 308 TYR HBy 1.0 . 4.25 162 142 A 308 TYR HBx A 312 CYS HBy 1.0 . 3.24 163 143 A 308 TYR HBy A 312 CYS HBy 1.0 . 2.53 164 144 A 308 TYR HBy A 311 LYS HBy 1.0 . 5.39 165 145 A 308 TYR HBy A 311 LYS HBx 1.0 . 5.06 166 146 A 308 TYR HBx A 311 LYS HBy 1.0 . 5.07 167 147 A 308 TYR HBx A 311 LYS HBx 1.0 . 4.97 168 148 A 312 CYS H A 309 GLY HAx 1.0 . 5.50 169 149 A 312 CYS HBx A 309 GLY HAy 1.0 . 4.06 170 150 A 309 GLY HAy A 323 PRO HDx 1.0 . 3.76 171 151 A 309 GLY HAx A 323 PRO HDx 1.0 . 4.38 172 152 A 312 CYS HBx A 309 GLY HAx 1.0 . 5.28 173 153 A 309 GLY HAy A 306 CYS HBx 1.0 . 5.24 174 154 A 309 GLY HAx A 323 PRO HDy 1.0 . 5.50 175 155 A 309 GLY HAx A 306 CYS HBx 1.0 . 5.20 176 156 A 309 GLY HAx A 306 CYS HBy 1.0 . 5.50 177 157 A 309 GLY HAx A 323 PRO HGx 1.0 . 5.50 178 158 A 309 GLY HAx A 310 LYS HGx 1.0 . 5.50 179 158 A 309 GLY HAx A 310 LYS HGy 1.0 . 5.50 180 159 A 309 GLY HAx A 322 HIS HBx 1.0 . 5.50 181 160 A 312 CYS H A 310 LYS HA 1.0 . 4.51 182 161 A 311 LYS H A 310 LYS HBx 1.0 . 4.37 183 162 A 310 LYS HA A 310 LYS HGx 1.0 . 3.79 184 162 A 310 LYS HGy A 310 LYS HA 1.0 . 3.79 185 163 A 310 LYS HA A 310 LYS HDx 1.0 . 4.41 186 163 A 310 LYS HA A 310 LYS HDy 1.0 . 4.41 187 164 A 310 LYS HBy A 310 LYS HDx 1.0 . 3.03 188 164 A 310 LYS HBy A 310 LYS HDy 1.0 . 3.03 189 165 A 310 LYS HBx A 310 LYS HDx 1.0 . 2.62 190 165 A 310 LYS HBx A 310 LYS HDy 1.0 . 2.62 191 166 A 311 LYS HGx A 310 LYS HGx 1.0 . 2.40 192 166 A 310 LYS HGy A 311 LYS HGx 1.0 . 2.40 193 167 A 310 LYS HDx A 310 LYS HGx 1.0 . 2.52 194 167 A 310 LYS HDy A 310 LYS HGx 1.0 . 2.52 195 167 A 310 LYS HGy A 310 LYS HDx 1.0 . 2.52 196 167 A 310 LYS HGy A 310 LYS HDy 1.0 . 2.52 197 168 A 311 LYS H A 311 LYS HGy 1.0 . 5.34 198 169 A 314 TYR HA A 317 LYS HDx 1.0 . 4.75 199 169 A 314 TYR HA A 317 LYS HDy 1.0 . 4.75 200 170 A 311 LYS HGx A 310 LYS HEx 1.0 . 5.50 201 170 A 310 LYS HEy A 311 LYS HGx 1.0 . 5.50 202 171 A 311 LYS HGy A 311 LYS HDx 1.0 . 2.64 203 171 A 311 LYS HDy A 311 LYS HGy 1.0 . 2.64 204 172 A 310 LYS HBy A 311 LYS HGx 1.0 . 4.63 205 173 A 311 LYS HBy A 311 LYS HDx 1.0 . 2.69 206 173 A 311 LYS HBy A 311 LYS HDy 1.0 . 2.69 207 174 A 311 LYS HBx A 311 LYS HDx 1.0 . 4.15 208 174 A 311 LYS HBx A 311 LYS HDy 1.0 . 4.15 209 175 A 311 LYS HGx A 311 LYS HA 1.0 . 3.78 210 176 A 311 LYS HGy A 311 LYS HA 1.0 . 4.17 211 177 A 311 LYS HA A 311 LYS HDx 1.0 . 4.24 212 177 A 311 LYS HDy A 311 LYS HA 1.0 . 4.24 213 178 A 310 LYS HBy A 311 LYS HA 1.0 . 4.43 214 179 A 308 TYR HD% A 312 CYS HA 1.0 . 4.17 215 180 A 322 HIS HE1 A 312 CYS HA 1.0 . 5.14 216 181 A 312 CYS H A 312 CYS HBy 1.0 . 3.80 217 182 A 312 CYS HA A 313 THR HG2% 1.0 . 5.18 218 183 A 308 TYR HBy A 312 CYS HA 1.0 . 3.14 219 184 A 308 TYR HBx A 312 CYS HA 1.0 . 3.28 220 185 A 313 THR HG2% A 313 THR HA 1.0 . 3.39 221 186 A 313 THR HB A 313 THR HA 1.0 . 2.64 222 187 A 312 CYS HA A 313 THR HA 1.0 . 4.39 223 188 A 318 CYS H A 314 TYR HA 1.0 . 5.26 224 189 A 316 ILE H A 314 TYR HA 1.0 . 4.59 225 190 A 314 TYR HBx A 316 ILE H 1.0 . 4.93 226 191 A 314 TYR HBx A 318 CYS H 1.0 . 4.57 227 192 A 314 TYR HBy A 318 CYS H 1.0 . 4.84 228 193 A 314 TYR HBy A 315 GLY H 1.0 . 5.50 229 194 A 314 TYR HBy A 316 ILE H 1.0 . 5.05 230 195 A 314 TYR HBy A 317 LYS HA 1.0 . 5.50 231 196 A 314 TYR HBx A 318 CYS HBx 1.0 . 4.44 232 197 A 314 TYR HBx A 317 LYS HBx 1.0 . 4.95 233 197 A 314 TYR HBx A 317 LYS HBy 1.0 . 4.95 234 198 A 314 TYR HBy A 317 LYS HBx 1.0 . 5.35 235 198 A 314 TYR HBy A 317 LYS HBy 1.0 . 5.35 236 199 A 314 TYR HBy A 318 CYS HBx 1.0 . 4.23 237 200 A 316 ILE HA A 315 GLY HAx 1.0 . 5.50 238 201 A 316 ILE HA A 315 GLY HAy 1.0 . 5.50 239 202 A 318 CYS H A 316 ILE HA 1.0 . 4.55 240 203 A 317 LYS H A 316 ILE HG1x 1.0 . 5.08 241 203 A 317 LYS H A 316 ILE HG1y 1.0 . 5.08 242 204 A 317 LYS HA A 316 ILE HA 1.0 . 4.78 243 205 A 316 ILE HB A 317 LYS HA 1.0 . 5.50 244 206 A 316 ILE HG2% A 317 LYS HA 1.0 . 5.28 245 207 A 316 ILE HA A 316 ILE HD1% 1.0 . 3.88 246 208 A 316 ILE HG2% A 316 ILE HA 1.0 . 3.55 247 209 A 316 ILE HA A 316 ILE HG1x 1.0 . 4.04 248 209 A 316 ILE HA A 316 ILE HG1y 1.0 . 4.04 249 210 A 316 ILE HB A 316 ILE HD1% 1.0 . 3.81 250 211 A 316 ILE HG2% A 316 ILE HG1x 1.0 . 3.83 251 211 A 316 ILE HG2% A 316 ILE HG1y 1.0 . 3.83 252 212 A 316 ILE HG2% A 316 ILE HD1% 1.0 . 2.40 253 213 A 314 TYR HA A 317 LYS HGx 1.0 . 4.93 254 214 A 317 LYS HA A 317 LYS HGy 1.0 . 4.00 255 215 A 314 TYR HA A 317 LYS HGy 1.0 . 4.93 256 216 A 314 TYR HA A 317 LYS HBx 1.0 . 4.65 257 216 A 314 TYR HA A 317 LYS HBy 1.0 . 4.65 258 217 A 317 LYS HA A 317 LYS HDx 1.0 . 4.53 259 217 A 317 LYS HDy A 317 LYS HA 1.0 . 4.53 260 218 A 317 LYS HA A 317 LYS HGx 1.0 . 4.00 261 219 A 317 LYS HBy A 317 LYS HDx 1.0 . 3.57 262 219 A 317 LYS HDy A 317 LYS HBx 1.0 . 3.57 263 219 A 317 LYS HBy A 317 LYS HDy 1.0 . 3.57 264 219 A 317 LYS HBx A 317 LYS HDx 1.0 . 3.57 265 220 A 318 CYS H A 318 CYS HBx 1.0 . 4.09 266 221 A 318 CYS H A 318 CYS HBy 1.0 . 3.71 267 222 A 314 TYR HBx A 318 CYS HA 1.0 . 3.65 268 223 A 314 TYR HBy A 318 CYS HA 1.0 . 3.76 269 224 A 314 TYR HBy A 318 CYS HBy 1.0 . 2.93 270 225 A 319 ARG HDy A 319 ARG HBy 1.0 . 4.05 271 225 A 319 ARG HBy A 319 ARG HDx 1.0 . 4.05 272 226 A 319 ARG HDy A 319 ARG HBx 1.0 . 4.05 273 226 A 319 ARG HBx A 319 ARG HDx 1.0 . 4.05 274 227 A 320 PHE HD% A 320 PHE HA 1.0 . 4.24 275 228 A 321 PHE H A 320 PHE HBy 1.0 . 3.79 276 229 A 306 CYS H A 320 PHE HBy 1.0 . 5.20 277 230 A 306 CYS H A 320 PHE HBx 1.0 . 5.17 278 231 A 322 HIS HD2 A 320 PHE HBx 1.0 . 5.18 279 232 A 307 PRO HDy A 320 PHE HBx 1.0 . 3.76 280 233 A 305 PRO HA A 320 PHE HBx 1.0 . 4.64 281 234 A 320 PHE HBx A 321 PHE HA 1.0 . 4.41 282 235 A 320 PHE HA A 319 ARG HBx 1.0 . 5.50 283 236 A 320 PHE HA A 319 ARG HBy 1.0 . 5.50 284 237 A 306 CYS HBy A 320 PHE HBy 1.0 . 4.75 285 238 A 306 CYS HBx A 320 PHE HBy 1.0 . 5.50 286 239 A 307 PRO HDx A 320 PHE HBx 1.0 . 3.40 287 240 A 306 CYS HBx A 320 PHE HBx 1.0 . 5.35 288 241 A 306 CYS HBy A 320 PHE HBx 1.0 . 4.05 289 242 A 306 CYS H A 321 PHE HBy 1.0 . 5.50 290 243 A 306 CYS H A 321 PHE HBx 1.0 . 5.50 291 244 A 320 PHE HA A 321 PHE HA 1.0 . 5.50 292 245 A 320 PHE HA A 321 PHE HBy 1.0 . 4.71 293 246 A 305 PRO HA A 321 PHE HBy 1.0 . 4.67 294 247 A 322 HIS HA A 325 ARG H 1.0 . 4.91 295 248 A 325 ARG H A 322 HIS HBy 1.0 . 5.50 296 249 A 323 PRO HDx A 322 HIS HA 1.0 . 2.98 297 250 A 309 GLY HAy A 322 HIS HA 1.0 . 4.08 298 251 A 323 PRO HDy A 322 HIS HA 1.0 . 3.45 299 252 A 306 CYS HBy A 322 HIS HA 1.0 . 4.39 300 253 A 322 HIS HA A 323 PRO HGy 1.0 . 4.70 301 254 A 323 PRO HGx A 322 HIS HA 1.0 . 4.68 302 255 A 323 PRO HDy A 322 HIS HBy 1.0 . 3.88 303 256 A 323 PRO HDy A 322 HIS HBx 1.0 . 4.48 304 257 A 322 HIS HBx A 323 PRO HGy 1.0 . 4.16 305 258 A 321 PHE HE% A 323 PRO HA 1.0 . 4.70 306 259 A 306 CYS H A 323 PRO HDy 1.0 . 5.50 307 260 A 306 CYS HBy A 323 PRO HDx 1.0 . 4.50 308 261 A 323 PRO HDx A 322 HIS HBy 1.0 . 4.97 309 262 A 323 PRO HDx A 322 HIS HBx 1.0 . 5.30 310 263 A 306 CYS HBy A 323 PRO HDy 1.0 . 5.00 311 264 A 325 ARG HA A 326 PRO HDx 1.0 . 3.04 312 265 A 325 ARG HA A 325 ARG HDx 1.0 . 4.29 313 265 A 325 ARG HA A 325 ARG HDy 1.0 . 4.29 314 266 A 322 HIS HBy A 325 ARG HA 1.0 . 4.42 315 267 A 322 HIS HBx A 325 ARG HA 1.0 . 4.80 316 268 A 325 ARG HA A 325 ARG HGx 1.0 . 3.81 317 269 A 325 ARG HA A 325 ARG HGy 1.0 . 3.81 318 270 A 325 ARG HBy A 325 ARG HGy 1.0 . 2.70 319 271 A 325 ARG HBy A 325 ARG HGx 1.0 . 2.70 320 272 A 325 ARG HBy A 325 ARG HDx 1.0 . 4.18 321 272 A 325 ARG HDy A 325 ARG HBy 1.0 . 4.18 322 273 A 325 ARG HBx A 325 ARG HDx 1.0 . 4.18 323 273 A 325 ARG HDy A 325 ARG HBx 1.0 . 4.18 324 274 A 326 PRO HA A 327 SER HBx 1.0 . 4.75 325 274 A 326 PRO HA A 327 SER HBy 1.0 . 4.75 326 275 A 326 PRO HBx A 327 SER HA 1.0 . 4.78 327 276 A 325 ARG HA A 326 PRO HDy 1.0 . 3.01 328 277 A 326 PRO HDx A 325 ARG HDx 1.0 . 5.00 329 277 A 326 PRO HDx A 325 ARG HDy 1.0 . 5.00 330 278 A 326 PRO HDx A 325 ARG HBx 1.0 . 4.12 331 279 A 325 ARG HBx A 326 PRO HDy 1.0 . 3.64 332 280 A 325 ARG HA A 322 HIS H 1.0 . 5.50 333 281 A 325 ARG HA A 326 PRO HGx 1.0 . 4.11 334 281 A 325 ARG HA A 326 PRO HGy 1.0 . 4.11 335 282 A 325 ARG HBy A 326 PRO HDy 1.0 . 4.05 336 283 A 308 TYR HD% A 308 TYR HA 1.0 . 3.55 337 284 A 314 TYR HD% A 314 TYR HA 1.0 . 3.88 338 285 A 314 TYR HD% A 318 CYS HA 1.0 . 4.89 339 286 A 314 TYR HD% A 318 CYS HBy 1.0 . 4.60 340 287 A 320 PHE HD% A 320 PHE HZ 1.0 . 4.00 341 288 A 307 PRO HDy A 320 PHE HD% 1.0 . 4.25 342 289 A 321 PHE HD% A 321 PHE HA 1.0 . 4.04 343 290 A 321 PHE HD% A 305 PRO HA 1.0 . 4.80 344 291 A 312 CYS H A 322 HIS HE1 1.0 . 4.07 345 292 A 322 HIS HD2 A 321 PHE HA 1.0 . 5.29 346 293 A 322 HIS HD2 A 322 HIS HA 1.0 . 5.48 347 294 A 322 HIS HE1 A 310 LYS HA 1.0 . 5.01 348 295 A 309 GLY HAy A 322 HIS HE1 1.0 . 5.02 349 296 A 309 GLY HAx A 322 HIS HE1 1.0 . 4.15 350 297 A 322 HIS HE1 A 323 PRO HDx 1.0 . 5.50 351 298 A 312 CYS HBx A 322 HIS HE1 1.0 . 3.12 352 299 A 306 CYS HBy A 322 HIS HD2 1.0 . 4.56 353 300 A 306 CYS HBx A 322 HIS HD2 1.0 . 5.12 354 301 A 322 HIS HD2 A 318 CYS HBy 1.0 . 4.06 355 302 A 322 HIS HD2 A 318 CYS HBx 1.0 . 3.89 356 303 A 322 HIS HE1 A 322 HIS HBx 1.0 . 4.99 357 304 A 322 HIS HE1 A 312 CYS HBy 1.0 . 3.05 358 305 A 306 CYS HBx A 322 HIS HE1 1.0 . 4.65 359 306 A 306 CYS HBy A 322 HIS HE1 1.0 . 4.82 360 307 A 300 GLU HA A 303 LYS HGx 1.0 . 4.70 361 307 A 300 GLU HA A 303 LYS HGy 1.0 . 4.70 362 308 A 303 LYS HBy A 300 GLU HBx 1.0 . 2.39 363 308 A 303 LYS HBy A 300 GLU HBy 1.0 . 2.39 364 309 A 304 GLN H A 300 GLU HBx 1.0 . 4.10 365 309 A 304 GLN H A 300 GLU HBy 1.0 . 4.10 366 310 A 304 GLN HBy A 300 GLU HBx 1.0 . 3.43 367 310 A 304 GLN HBy A 300 GLU HBy 1.0 . 3.43 368 311 A 304 GLN H A 300 GLU HGy 1.0 . 4.55 369 311 A 304 GLN H A 300 GLU HGx 1.0 . 4.55 370 312 A 304 GLN HBy A 300 GLU HGy 1.0 . 2.97 371 312 A 304 GLN HBy A 300 GLU HGx 1.0 . 2.97 372 313 A 300 GLU HGx A 304 GLN HGx 1.0 . 3.28 373 313 A 300 GLU HGy A 304 GLN HGx 1.0 . 3.28 374 313 A 304 GLN HGy A 300 GLU HGy 1.0 . 3.28 375 313 A 304 GLN HGy A 300 GLU HGx 1.0 . 3.28 376 314 A 302 ARG HBy A 302 ARG HDx 1.0 . 3.45 377 314 A 302 ARG HBx A 302 ARG HDx 1.0 . 3.45 378 314 A 302 ARG HDy A 302 ARG HBx 1.0 . 3.45 379 314 A 302 ARG HDy A 302 ARG HBy 1.0 . 3.45 380 315 A 302 ARG HGx A 303 LYS HGx 1.0 . 3.29 381 315 A 302 ARG HGy A 303 LYS HGx 1.0 . 3.29 382 315 A 303 LYS HGy A 302 ARG HGx 1.0 . 3.29 383 315 A 302 ARG HGy A 303 LYS HGy 1.0 . 3.29 384 316 A 303 LYS HA A 303 LYS HGx 1.0 . 3.25 385 316 A 303 LYS HA A 303 LYS HGy 1.0 . 3.25 386 317 A 303 LYS HDy A 303 LYS HGx 1.0 . 2.31 387 317 A 303 LYS HDx A 303 LYS HGx 1.0 . 2.31 388 317 A 303 LYS HGy A 303 LYS HDx 1.0 . 2.31 389 317 A 303 LYS HDy A 303 LYS HGy 1.0 . 2.31 390 318 A 304 GLN HA A 305 PRO HGy 1.0 . 4.92 391 318 A 304 GLN HA A 305 PRO HGx 1.0 . 4.92 392 319 A 304 GLN HA A 305 PRO HDx 1.0 . 2.60 393 319 A 304 GLN HA A 305 PRO HDy 1.0 . 2.60 394 320 A 304 GLN HBy A 305 PRO HDx 1.0 . 4.10 395 320 A 304 GLN HBy A 305 PRO HDy 1.0 . 4.10 396 321 A 304 GLN HBx A 305 PRO HDx 1.0 . 3.72 397 321 A 304 GLN HBx A 305 PRO HDy 1.0 . 3.72 398 322 A 304 GLN HGx A 305 PRO HDx 1.0 . 4.37 399 322 A 304 GLN HGy A 305 PRO HDx 1.0 . 4.37 400 322 A 305 PRO HDy A 304 GLN HGx 1.0 . 4.37 401 322 A 304 GLN HGy A 305 PRO HDy 1.0 . 4.37 402 323 A 304 GLN HE2x A 305 PRO HDx 1.0 . 4.99 403 323 A 305 PRO HDy A 304 GLN HE2y 1.0 . 4.99 404 323 A 305 PRO HDy A 304 GLN HE2x 1.0 . 4.99 405 323 A 304 GLN HE2y A 305 PRO HDx 1.0 . 4.99 406 324 A 321 PHE HBx A 305 PRO HBx 1.0 . 5.34 407 324 A 321 PHE HBx A 305 PRO HBy 1.0 . 5.34 408 325 A 322 HIS HA A 305 PRO HBx 1.0 . 3.98 409 325 A 322 HIS HA A 305 PRO HBy 1.0 . 3.98 410 326 A 306 CYS HA A 307 PRO HBx 1.0 . 5.23 411 326 A 306 CYS HA A 307 PRO HBy 1.0 . 5.23 412 327 A 308 TYR H A 307 PRO HBx 1.0 . 3.74 413 327 A 308 TYR H A 307 PRO HBy 1.0 . 3.74 414 328 A 314 TYR HA A 315 GLY HAy 1.0 . 5.34 415 328 A 314 TYR HA A 315 GLY HAx 1.0 . 5.34 416 329 A 314 TYR HA A 317 LYS HGx 1.0 . 4.16 417 329 A 314 TYR HA A 317 LYS HGy 1.0 . 4.16 418 330 A 314 TYR HBx A 315 GLY HAy 1.0 . 5.34 419 330 A 314 TYR HBx A 315 GLY HAx 1.0 . 5.34 420 331 A 316 ILE HB A 315 GLY HAy 1.0 . 5.34 421 331 A 316 ILE HB A 315 GLY HAx 1.0 . 5.34 422 332 A 317 LYS H A 315 GLY HAy 1.0 . 4.38 423 332 A 317 LYS H A 315 GLY HAx 1.0 . 4.38 424 333 A 318 CYS H A 315 GLY HAy 1.0 . 4.96 425 333 A 318 CYS H A 315 GLY HAx 1.0 . 4.96 426 334 A 318 CYS HBy A 315 GLY HAy 1.0 . 5.34 427 334 A 318 CYS HBy A 315 GLY HAx 1.0 . 5.34 428 335 A 322 HIS HE1 A 315 GLY HAy 1.0 . 4.83 429 335 A 322 HIS HE1 A 315 GLY HAx 1.0 . 4.83 430 336 A 316 ILE HB A 317 LYS HGx 1.0 . 4.36 431 336 A 316 ILE HB A 317 LYS HGy 1.0 . 4.36 432 337 A 317 LYS H A 317 LYS HGx 1.0 . 3.20 433 337 A 317 LYS H A 317 LYS HGy 1.0 . 3.20 434 338 A 317 LYS HA A 317 LYS HGx 1.0 . 3.49 435 338 A 317 LYS HA A 317 LYS HGy 1.0 . 3.49 436 339 A 318 CYS HA A 317 LYS HGx 1.0 . 5.34 437 339 A 318 CYS HA A 317 LYS HGy 1.0 . 5.34 438 340 A 319 ARG HA A 319 ARG HGy 1.0 . 3.17 439 340 A 319 ARG HA A 319 ARG HGx 1.0 . 3.17 440 341 A 319 ARG HBx A 319 ARG HGy 1.0 . 2.31 441 341 A 319 ARG HBy A 319 ARG HGy 1.0 . 2.31 442 341 A 319 ARG HGx A 319 ARG HBx 1.0 . 2.31 443 341 A 319 ARG HGx A 319 ARG HBy 1.0 . 2.31 444 342 A 319 ARG HBx A 319 ARG HDx 1.0 . 3.46 445 342 A 319 ARG HBy A 319 ARG HDx 1.0 . 3.46 446 342 A 319 ARG HDy A 319 ARG HBx 1.0 . 3.46 447 342 A 319 ARG HDy A 319 ARG HBy 1.0 . 3.46 448 343 A 323 PRO HBx A 324 GLU HGy 1.0 . 2.95 449 343 A 323 PRO HBx A 324 GLU HGx 1.0 . 2.95 450 344 A 323 PRO HGy A 324 GLU HGy 1.0 . 2.85 451 344 A 323 PRO HGy A 324 GLU HGx 1.0 . 2.85 452 345 A 323 PRO HGx A 324 GLU HGy 1.0 . 4.02 453 345 A 323 PRO HGx A 324 GLU HGx 1.0 . 4.02 454 346 A 323 PRO HDy A 324 GLU HGy 1.0 . 5.13 455 346 A 323 PRO HDy A 324 GLU HGx 1.0 . 5.13 456 347 A 325 ARG HBy A 325 ARG HGx 1.0 . 2.24 457 347 A 325 ARG HBy A 325 ARG HGy 1.0 . 2.24 458 348 A 325 ARG HBx A 325 ARG HGx 1.0 . 2.52 459 348 A 325 ARG HBx A 325 ARG HGy 1.0 . 2.52 460 349 A 326 PRO HDy A 325 ARG HGx 1.0 . 4.16 461 349 A 326 PRO HDy A 325 ARG HGy 1.0 . 4.16 462 350 A 326 PRO HDx A 325 ARG HGx 1.0 . 5.22 463 350 A 326 PRO HDx A 325 ARG HGy 1.0 . 5.22 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 303 LYS C A 304 GLN N A 304 GLN CA A 304 GLN C 1.0 -116.2 -50.5 PHI 2 2 A 304 GLN N A 304 GLN CA A 304 GLN C A 305 PRO N 1.0 99.3 176.7 PSI 3 3 A 307 PRO C A 308 TYR N A 308 TYR CA A 308 TYR C 1.0 -119.0 -52.9 PHI 4 4 A 308 TYR N A 308 TYR CA A 308 TYR C A 309 GLY N 1.0 -44.0 23.5 PSI 5 5 A 309 GLY C A 310 LYS N A 310 LYS CA A 310 LYS C 1.0 -88.1 -37.0 PHI 6 6 A 310 LYS N A 310 LYS CA A 310 LYS C A 311 LYS N 1.0 -54.0 -8.1 PSI 7 7 A 313 THR C A 314 TYR N A 314 TYR CA A 314 TYR C 1.0 -97.3 -43.7 PHI 8 8 A 314 TYR N A 314 TYR CA A 314 TYR C A 315 GLY N 1.0 -57.6 -6.2 PSI 9 9 A 315 GLY C A 316 ILE N A 316 ILE CA A 316 ILE C 1.0 -97.6 -47.3 PHI 10 10 A 316 ILE N A 316 ILE CA A 316 ILE C A 317 LYS N 1.0 -43.8 -6.3 PSI 11 11 A 320 PHE C A 321 PHE N A 321 PHE CA A 321 PHE C 1.0 -144.2 -71.0 PHI 12 12 A 321 PHE N A 321 PHE CA A 321 PHE C A 322 HIS N 1.0 111.6 155.1 PSI 13 13 A 321 PHE C A 322 HIS N A 322 HIS CA A 322 HIS C 1.0 -125.6 -60.2 PHI 14 14 A 322 HIS N A 322 HIS CA A 322 HIS C A 323 PRO N 1.0 89.1 154.2 PSI 15 15 A 323 PRO C A 324 GLU N A 324 GLU CA A 324 GLU C 1.0 -106.0 -64.8 PHI 16 16 A 324 GLU N A 324 GLU CA A 324 GLU C A 325 ARG N 1.0 -27.0 9.9 PSI 17 17 A 324 GLU C A 325 ARG N A 325 ARG CA A 325 ARG C 1.0 -126.3 -56.2 PHI 18 18 A 325 ARG N A 325 ARG CA A 325 ARG C A 326 PRO N 1.0 94.9 174.4 PSI stop_ save_