data_nef_c19716_2mjc 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 PDB 2MJC 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 15 CYS SG 2 1 ZN ZN 1 19 HIS NE2 2 1 ZN ZN 1 24 CYS SG 2 1 ZN ZN 1 12 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 2 PRO start . false 2 A 3 LEU middle . . 3 A 4 GLY middle . false 4 A 5 SER middle . . 5 A 6 LYS middle . . 6 A 7 GLY middle . false 7 A 8 GLN middle . . 8 A 9 LYS middle . . 9 A 10 ILE middle . . 10 A 11 VAL middle . . 11 A 12 SER middle . . 12 A 13 CYS middle -HG . 13 A 14 ARG middle . . 14 A 15 ILE middle . . 15 A 16 CYS middle -HG . 16 A 17 LYS middle . . 17 A 18 GLY middle . false 18 A 19 ASP middle . . 19 A 20 HIS middle -HE2 . 20 A 21 TRP middle . . 21 A 22 THR middle . . 22 A 23 THR middle . . 23 A 24 ARG middle . . 24 A 25 CYS middle -HG . 25 A 26 PRO middle . false 26 A 27 TYR middle . . 27 A 28 LYS middle . . 28 A 29 ASP middle . . 29 A 30 THR middle . . 30 A 31 LEU middle . . 31 A 32 GLY middle . false 32 A 33 PRO middle . false 33 A 34 MET middle . . 34 A 35 GLN end . . 35 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 9 LYS H H 1 8.4442 0.0000 A 9 LYS HA H 1 4.3287 0.0000 A 9 LYS HBy H 1 1.7139 0.0000 A 9 LYS HBx H 1 1.3657 0.0000 A 9 LYS HDx H 1 1.7170 0.0000 A 9 LYS HEx H 1 2.9744 0.0000 A 9 LYS HGx H 1 1.4075 0.0000 A 9 LYS HGy H 1 1.4099 0.0000 A 9 LYS CA C 13 28.3826 0.0000 A 9 LYS CB C 13 33.6298 0.0000 A 9 LYS CE C 13 42.1216 0.0000 A 9 LYS CG C 13 24.7879 0.0000 A 9 LYS N N 15 123.3586 0.0000 A 10 ILE H H 1 8.2268 0.0000 A 10 ILE HA H 1 4.0656 0.0000 A 10 ILE HB H 1 1.7357 0.0000 A 10 ILE HD1% H 1 0.7895 0.0000 A 10 ILE HG1y H 1 1.4111 0.0000 A 10 ILE HG1x H 1 1.1247 0.0000 A 10 ILE HG2% H 1 0.7862 0.0000 A 10 ILE CA C 13 33.2123 0.0000 A 10 ILE CB C 13 38.8006 0.0000 A 10 ILE CD1 C 13 40.6225 0.0000 A 10 ILE CG1 C 13 27.3936 0.0000 A 10 ILE CG2 C 13 45.2705 0.0000 A 10 ILE N N 15 123.6061 0.0000 A 11 VAL H H 1 8.0721 0.0000 A 11 VAL HA H 1 3.8382 0.0000 A 11 VAL HB H 1 1.7207 0.0000 A 11 VAL HGx% H 1 0.6047 0.0000 A 11 VAL HGy% H 1 0.3995 0.0000 A 11 VAL CA C 13 33.8377 0.0000 A 11 VAL CB C 13 32.7389 0.0000 A 11 VAL CGx C 13 48.2281 0.0000 A 11 VAL CGy C 13 48.4400 0.0000 A 11 VAL N N 15 125.8212 0.0000 A 12 SER H H 1 7.8217 0.0000 A 12 SER HA H 1 4.5187 0.0000 A 12 SER HBx H 1 3.4886 0.0000 A 12 SER HBy H 1 3.5311 0.0000 A 12 SER CA C 13 29.1086 0.0000 A 12 SER CB C 13 36.5225 0.0000 A 12 SER N N 15 119.0844 0.0000 A 13 CYS H H 1 8.5850 0.0000 A 13 CYS HA H 1 4.3146 0.0000 A 13 CYS HBy H 1 2.6554 0.0000 A 13 CYS HBx H 1 2.5078 0.0000 A 13 CYS CA C 13 31.8584 0.0000 A 13 CYS CB C 13 30.0267 0.0000 A 13 CYS N N 15 129.0813 0.0000 A 14 ARG H H 1 9.1196 0.0000 A 14 ARG HA H 1 4.1363 0.0000 A 14 ARG HBy H 1 1.9838 0.0000 A 14 ARG HBx H 1 1.8029 0.0000 A 14 ARG HDx H 1 3.3071 0.0000 A 14 ARG HGy H 1 1.8622 0.0000 A 14 ARG HGx H 1 1.7915 0.0000 A 14 ARG CA C 13 30.6710 0.0000 A 14 ARG CB C 13 30.8072 0.0000 A 14 ARG CD C 13 43.2067 0.0000 A 14 ARG CG C 13 27.7988 0.0000 A 14 ARG N N 15 130.2553 0.0000 A 15 ILE H H 1 9.6730 0.0000 A 15 ILE HA H 1 3.9613 0.0000 A 15 ILE HB H 1 2.5400 0.0000 A 15 ILE HD1% H 1 0.8283 0.0000 A 15 ILE HG1y H 1 1.6548 0.0000 A 15 ILE HG1x H 1 1.0607 0.0000 A 15 ILE HG2% H 1 0.9509 0.0000 A 15 ILE CA C 13 36.4094 0.0000 A 15 ILE CB C 13 38.2941 0.0000 A 15 ILE CD1 C 13 46.0053 0.0000 A 15 ILE CG1 C 13 28.5500 0.0000 A 15 ILE CG2 C 13 41.5301 0.0000 A 15 ILE N N 15 123.3842 0.0000 A 16 CYS H H 1 8.7845 0.0000 A 16 CYS HA H 1 4.9843 0.0000 A 16 CYS HBy H 1 3.2810 0.0000 A 16 CYS HBx H 1 2.5335 0.0000 A 16 CYS CA C 13 30.6688 0.0000 A 16 CYS CB C 13 33.1698 0.0000 A 16 CYS N N 15 118.6018 0.0000 A 18 GLY H H 1 9.1402 0.0000 A 18 GLY HAy H 1 4.1969 0.0000 A 18 GLY HAx H 1 3.4808 0.0000 A 18 GLY CA C 13 43.3535 0.0000 A 18 GLY N N 15 112.3053 0.0000 A 19 ASP H H 1 8.3725 0.0000 A 19 ASP HA H 1 4.7223 0.0000 A 19 ASP HBy H 1 2.6150 0.0000 A 19 ASP HBx H 1 2.5392 0.0000 A 19 ASP CA C 13 24.8368 0.0000 A 19 ASP CB C 13 39.0106 0.0000 A 19 ASP N N 15 119.7177 0.0000 A 20 HIS H H 1 7.2605 0.0000 A 20 HIS HA H 1 4.5615 0.0000 A 20 HIS HBy H 1 3.3357 0.0000 A 20 HIS HBx H 1 3.0419 0.0000 A 20 HIS HD2 H 1 6.8239 0.0000 A 20 HIS HE1 H 1 7.8345 0.0000 A 20 HIS CA C 13 25.9907 0.0000 A 20 HIS CB C 13 30.4906 0.0000 A 20 HIS CD2 C 13 44.3704 0.0000 A 20 HIS CE1 C 13 25.6125 0.0000 A 20 HIS N N 15 115.2904 0.0000 A 21 TRP H H 1 8.3573 0.0000 A 21 TRP HA H 1 4.7520 0.0000 A 21 TRP HBy H 1 3.5339 0.0000 A 21 TRP HBx H 1 2.9385 0.0000 A 21 TRP HD1 H 1 7.3275 0.0000 A 21 TRP HE1 H 1 10.2300 0.0000 A 21 TRP HE3 H 1 7.7223 0.0000 A 21 TRP HH2 H 1 7.2583 0.0000 A 21 TRP HZ2 H 1 7.5097 0.0000 A 21 TRP HZ3 H 1 7.1990 0.0000 A 21 TRP CA C 13 28.7436 0.0000 A 21 TRP CB C 13 30.1384 0.0000 A 21 TRP CD1 C 13 42.0288 0.0000 A 21 TRP CE3 C 13 36.8314 0.0000 A 21 TRP CH2 C 13 40.9008 0.0000 A 21 TRP CZ2 C 13 30.7281 0.0000 A 21 TRP CZ3 C 13 38.0334 0.0000 A 21 TRP N N 15 117.6668 0.0000 A 21 TRP NE1 N 15 128.8700 0.0000 A 22 THR H H 1 8.6933 0.0000 A 22 THR HA H 1 5.3294 0.0000 A 22 THR HB H 1 4.3159 0.0000 A 22 THR HG2% H 1 1.4834 0.0000 A 22 THR CA C 13 37.9867 0.0000 A 22 THR CB C 13 42.0043 0.0000 A 22 THR CG2 C 13 50.8598 0.0000 A 22 THR N N 15 120.6353 0.0000 A 23 THR H H 1 7.7374 0.0000 A 23 THR HA H 1 4.0971 0.0000 A 23 THR HB H 1 4.3190 0.0000 A 23 THR HG2% H 1 1.3322 0.0000 A 23 THR CA C 13 35.6174 0.0000 A 23 THR CB C 13 40.8783 0.0000 A 23 THR CG2 C 13 50.7432 0.0000 A 23 THR N N 15 108.0645 0.0000 A 24 ARG H H 1 7.9764 0.0000 A 24 ARG HA H 1 4.5362 0.0000 A 24 ARG HBy H 1 2.1192 0.0000 A 24 ARG HBx H 1 1.7100 0.0000 A 24 ARG HDx H 1 3.1764 0.0000 A 24 ARG HGy H 1 1.7287 0.0000 A 24 ARG HGx H 1 1.6117 0.0000 A 24 ARG CA C 13 26.0313 0.0000 A 24 ARG CB C 13 30.3245 0.0000 A 24 ARG CD C 13 43.0218 0.0000 A 24 ARG CG C 13 27.0679 0.0000 A 24 ARG N N 15 119.9565 0.0000 A 25 CYS H H 1 7.5451 0.0000 A 25 CYS HA H 1 4.0156 0.0000 A 25 CYS HBy H 1 3.6892 0.0000 A 25 CYS HBx H 1 2.8408 0.0000 A 25 CYS CA C 13 30.8889 0.0000 A 25 CYS CB C 13 31.9158 0.0000 A 25 CYS N N 15 125.7286 0.0000 A 26 PRO HA H 1 4.3165 0.0000 A 26 PRO HBy H 1 1.9967 0.0000 A 26 PRO HBx H 1 1.1741 0.0000 A 26 PRO HDy H 1 3.6570 0.0000 A 26 PRO HDx H 1 3.0029 0.0000 A 26 PRO HGy H 1 1.6054 0.0000 A 26 PRO HGx H 1 1.2315 0.0000 A 26 PRO CA C 13 35.8773 0.0000 A 26 PRO CB C 13 31.8078 0.0000 A 26 PRO CD C 13 50.9125 0.0000 A 26 PRO CG C 13 26.1890 0.0000 A 27 TYR H H 1 9.2793 0.0000 A 27 TYR HA H 1 4.7522 0.0000 A 27 TYR HBy H 1 3.3328 0.0000 A 27 TYR HBx H 1 2.9276 0.0000 A 27 TYR HDy H 1 7.1880 0.0000 A 27 TYR HEy H 1 6.9019 0.0000 A 27 TYR CA C 13 28.8963 0.0000 A 27 TYR CB C 13 37.7830 0.0000 A 27 TYR CDy C 13 49.2004 0.0000 A 27 TYR CEy C 13 34.1221 0.0000 A 27 TYR N N 15 120.9965 0.0000 A 28 LYS H H 1 7.4792 0.0000 A 28 LYS HA H 1 4.0972 0.0000 A 28 LYS HBx H 1 1.8674 0.0000 A 28 LYS HDx H 1 1.6899 0.0000 A 28 LYS HEx H 1 3.0115 0.0000 A 28 LYS HGx H 1 1.4384 0.0000 A 28 LYS CA C 13 30.6971 0.0000 A 28 LYS CG C 13 52.0289 0.0000 A 28 LYS N N 15 120.5321 0.0000 A 29 ASP H H 1 8.5411 0.0000 A 29 ASP HA H 1 4.7042 0.0000 A 29 ASP HBy H 1 2.7842 0.0000 A 29 ASP HBx H 1 2.6347 0.0000 A 29 ASP CA C 13 26.9945 0.0000 A 29 ASP CB C 13 40.9318 0.0000 A 29 ASP N N 15 118.9432 0.0000 A 31 LEU H H 1 8.1699 0.0000 A 31 LEU HA H 1 4.4252 0.0000 A 31 LEU HBx H 1 1.6543 0.0000 A 31 LEU HDx% H 1 0.8576 0.0000 A 31 LEU HDy% H 1 0.8561 0.0000 A 31 LEU HG H 1 1.6551 0.0000 A 31 LEU CA C 13 27.0941 0.0000 A 31 LEU CB C 13 42.5382 0.0000 A 31 LEU CDx C 13 25.0616 0.0000 A 31 LEU CDy C 13 51.1998 0.0000 A 31 LEU CG C 13 27.0551 0.0000 A 31 LEU N N 15 123.0899 0.0000 A 32 GLY H H 1 8.0586 0.0000 A 32 GLY HAx H 1 4.0522 0.0000 A 32 GLY CA C 13 44.6383 0.0000 A 32 GLY N N 15 108.9635 0.0000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 10 ILE HA A 10 ILE HD1% 1.0 1.8 4.0 2 1 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 4.0 3 2 A 10 ILE HA A 10 ILE HB 1.0 1.8 4.0 4 3 A 10 ILE HA A 10 ILE HD1% 1.0 1.8 5.5 5 4 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 5.5 6 4 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 5.5 7 5 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 5.5 8 5 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 5.5 9 6 A 10 ILE HB A 10 ILE HG1y 1.0 1.8 5.5 10 6 A 10 ILE HB A 10 ILE HG1x 1.0 1.8 5.5 11 7 A 10 ILE HD1% A 10 ILE HB 1.0 1.8 4.0 12 7 A 10 ILE HG2% A 10 ILE HB 1.0 1.8 4.0 13 8 A 10 ILE HD1% A 10 ILE HG1y 1.0 1.8 3.0 14 8 A 10 ILE HD1% A 10 ILE HG1x 1.0 1.8 3.0 15 9 A 10 ILE HD1% A 10 ILE HG1y 1.0 1.8 4.0 16 9 A 10 ILE HD1% A 10 ILE HG1x 1.0 1.8 4.0 17 10 A 10 ILE HA A 10 ILE HB 1.0 1.8 4.0 18 11 A 10 ILE HB A 10 ILE HG1y 1.0 1.8 4.0 19 11 A 10 ILE HB A 10 ILE HG1x 1.0 1.8 4.0 20 12 A 10 ILE HG2% A 10 ILE HG1y 1.0 1.8 4.0 21 12 A 10 ILE HD1% A 10 ILE HG1y 1.0 1.8 4.0 22 12 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 4.0 23 12 A 10 ILE HD1% A 10 ILE HG1x 1.0 1.8 4.0 24 13 A 10 ILE HG2% A 10 ILE HG1y 1.0 1.8 4.0 25 13 A 10 ILE HD1% A 10 ILE HG1y 1.0 1.8 4.0 26 13 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 4.0 27 13 A 10 ILE HD1% A 10 ILE HG1x 1.0 1.8 4.0 28 14 A 10 ILE HB A 10 ILE HG1y 1.0 1.8 5.5 29 14 A 10 ILE HB A 10 ILE HG1x 1.0 1.8 5.5 30 15 A 10 ILE HG2% A 10 ILE HB 1.0 1.8 4.0 31 16 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 5.5 32 16 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 5.5 33 17 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 4.0 34 18 A 10 ILE HA A 10 ILE HG1y 1.0 1.8 5.5 35 18 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 5.5 36 19 A 10 ILE HD1% A 10 ILE HB 1.0 1.8 5.5 37 20 A 10 ILE HG2% A 10 ILE HG1y 1.0 1.8 5.5 38 20 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 5.5 39 21 A 10 ILE HG2% A 10 ILE HG1y 1.0 1.8 5.5 40 21 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 5.5 41 22 A 11 VAL HA A 11 VAL HB 1.0 1.8 4.0 42 23 A 11 VAL HB A 11 VAL HGy% 1.0 1.8 5.5 43 24 A 11 VAL HA A 11 VAL HB 1.0 1.8 4.0 44 25 A 11 VAL HA A 11 VAL HGy% 1.0 1.8 5.5 45 26 A 11 VAL HB A 11 VAL HGx% 1.0 1.8 5.5 46 27 A 11 VAL HB A 11 VAL HGy% 1.0 1.8 4.0 47 28 A 11 VAL HA A 11 VAL HGx% 1.0 1.8 5.5 48 29 A 11 VAL HA A 11 VAL HGx% 1.0 1.8 5.5 49 30 A 11 VAL HA A 11 VAL HGy% 1.0 1.8 5.5 50 31 A 11 VAL HB A 11 VAL HGx% 1.0 1.8 4.0 51 32 A 12 SER HA A 12 SER HBx 1.0 1.8 3.0 52 32 A 12 SER HA A 12 SER HBy 1.0 1.8 3.0 53 33 A 12 SER HA A 12 SER HBx 1.0 1.8 4.0 54 33 A 12 SER HA A 12 SER HBy 1.0 1.8 4.0 55 34 A 12 SER HA A 12 SER HBx 1.0 1.8 3.0 56 34 A 12 SER HA A 12 SER HBy 1.0 1.8 3.0 57 35 A 13 CYS HBx A 13 CYS HA 1.0 1.8 3.0 58 36 A 13 CYS HA A 13 CYS HBy 1.0 1.8 3.0 59 37 A 13 CYS HA A 13 CYS HBy 1.0 1.8 3.0 60 38 A 13 CYS HBx A 13 CYS HA 1.0 1.8 4.0 61 39 A 14 ARG HA A 14 ARG HBy 1.0 1.8 3.0 62 39 A 14 ARG HA A 14 ARG HBx 1.0 1.8 3.0 63 40 A 14 ARG HA A 14 ARG HDx 1.0 1.8 5.5 64 40 A 14 ARG HA A 14 ARG HDy 1.0 1.8 5.5 65 41 A 14 ARG HA A 14 ARG HBy 1.0 1.8 3.0 66 41 A 14 ARG HA A 14 ARG HBx 1.0 1.8 3.0 67 42 A 14 ARG HBy A 14 ARG HDx 1.0 1.8 4.0 68 42 A 14 ARG HBx A 14 ARG HDx 1.0 1.8 4.0 69 42 A 14 ARG HDy A 14 ARG HBy 1.0 1.8 4.0 70 42 A 14 ARG HBx A 14 ARG HDy 1.0 1.8 4.0 71 43 A 14 ARG HA A 14 ARG HDx 1.0 1.8 5.5 72 43 A 14 ARG HA A 14 ARG HDy 1.0 1.8 5.5 73 44 A 14 ARG HDx A 14 ARG HGy 1.0 1.8 5.5 74 44 A 14 ARG HGx A 14 ARG HDx 1.0 1.8 5.5 75 44 A 14 ARG HDy A 14 ARG HGx 1.0 1.8 5.5 76 44 A 14 ARG HDy A 14 ARG HGy 1.0 1.8 5.5 77 45 A 14 ARG HBy A 14 ARG HDx 1.0 1.8 5.5 78 45 A 14 ARG HBx A 14 ARG HDx 1.0 1.8 5.5 79 45 A 14 ARG HDy A 14 ARG HBy 1.0 1.8 5.5 80 45 A 14 ARG HBx A 14 ARG HDy 1.0 1.8 5.5 81 46 A 14 ARG HDx A 14 ARG HGy 1.0 1.8 5.5 82 46 A 14 ARG HGx A 14 ARG HDx 1.0 1.8 5.5 83 46 A 14 ARG HDy A 14 ARG HGx 1.0 1.8 5.5 84 46 A 14 ARG HDy A 14 ARG HGy 1.0 1.8 5.5 85 47 A 14 ARG HA A 14 ARG HGy 1.0 1.8 5.5 86 47 A 14 ARG HA A 14 ARG HGx 1.0 1.8 5.5 87 48 A 14 ARG HA A 14 ARG HGy 1.0 1.8 5.5 88 48 A 14 ARG HA A 14 ARG HGx 1.0 1.8 5.5 89 49 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 4.0 90 49 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 4.0 91 50 A 15 ILE HG2% A 15 ILE HA 1.0 1.8 4.0 92 51 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 4.0 93 51 A 15 ILE HG1x A 15 ILE HA 1.0 1.8 4.0 94 52 A 15 ILE HA A 15 ILE HB 1.0 1.8 5.5 95 53 A 15 ILE HG2% A 15 ILE HB 1.0 1.8 3.0 96 54 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 5.5 97 55 A 15 ILE HD1% A 15 ILE HG1y 1.0 1.8 3.0 98 55 A 15 ILE HG1x A 15 ILE HD1% 1.0 1.8 3.0 99 56 A 15 ILE HB A 15 ILE HG1y 1.0 1.8 4.0 100 56 A 15 ILE HG1x A 15 ILE HB 1.0 1.8 4.0 101 57 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 4.0 102 57 A 15 ILE HG1x A 15 ILE HA 1.0 1.8 4.0 103 58 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 4.0 104 58 A 15 ILE HG1x A 15 ILE HA 1.0 1.8 4.0 105 59 A 15 ILE HD1% A 15 ILE HG1y 1.0 1.8 3.0 106 59 A 15 ILE HG1x A 15 ILE HD1% 1.0 1.8 3.0 107 60 A 15 ILE HA A 15 ILE HB 1.0 1.8 5.5 108 61 A 15 ILE HB A 15 ILE HG1y 1.0 1.8 5.5 109 61 A 15 ILE HG1x A 15 ILE HB 1.0 1.8 5.5 110 62 A 15 ILE HG2% A 15 ILE HA 1.0 1.8 4.0 111 63 A 15 ILE HA A 15 ILE HG1y 1.0 1.8 4.0 112 63 A 15 ILE HG1x A 15 ILE HA 1.0 1.8 4.0 113 64 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 5.5 114 64 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 5.5 115 65 A 15 ILE HB A 15 ILE HG1y 1.0 1.8 5.5 116 65 A 15 ILE HG1x A 15 ILE HB 1.0 1.8 5.5 117 66 A 15 ILE HA A 15 ILE HD1% 1.0 1.8 5.5 118 67 A 15 ILE HB A 15 ILE HD1% 1.0 1.8 4.0 119 68 A 15 ILE HB A 15 ILE HD1% 1.0 1.8 4.0 120 69 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.8 5.5 121 69 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.8 5.5 122 70 A 15 ILE HB A 15 ILE HG1y 1.0 1.8 5.5 123 70 A 15 ILE HG1x A 15 ILE HB 1.0 1.8 5.5 124 71 A 15 ILE HD1% A 15 ILE HG1y 1.0 1.8 3.0 125 71 A 15 ILE HG1x A 15 ILE HD1% 1.0 1.8 3.0 126 72 A 16 CYS HBy A 16 CYS HA 1.0 1.8 3.0 127 73 A 16 CYS HA A 16 CYS HBx 1.0 1.8 3.0 128 74 A 16 CYS HBy A 16 CYS HA 1.0 1.8 3.0 129 75 A 16 CYS HA A 16 CYS HBx 1.0 1.8 3.0 130 76 A 17 LYS HA A 17 LYS HDx 1.0 1.8 5.5 131 76 A 17 LYS HA A 17 LYS HDy 1.0 1.8 5.5 132 77 A 17 LYS HA A 17 LYS HBy 1.0 1.8 3.0 133 78 A 17 LYS HBx A 17 LYS HGx 1.0 1.8 4.0 134 78 A 17 LYS HBx A 17 LYS HGy 1.0 1.8 4.0 135 79 A 17 LYS HBy A 17 LYS HGx 1.0 1.8 4.0 136 79 A 17 LYS HBy A 17 LYS HGy 1.0 1.8 4.0 137 80 A 17 LYS HA A 17 LYS HBx 1.0 1.8 3.0 138 81 A 17 LYS HA A 17 LYS HBx 1.0 1.8 4.0 139 82 A 17 LYS HBx A 17 LYS HGx 1.0 1.8 4.0 140 82 A 17 LYS HBx A 17 LYS HGy 1.0 1.8 4.0 141 83 A 17 LYS HBy A 17 LYS HGx 1.0 1.8 4.0 142 83 A 17 LYS HBy A 17 LYS HGy 1.0 1.8 4.0 143 84 A 17 LYS HA A 17 LYS HGx 1.0 1.8 4.0 144 84 A 17 LYS HA A 17 LYS HGy 1.0 1.8 4.0 145 85 A 17 LYS HA A 17 LYS HBy 1.0 1.8 3.0 146 86 A 17 LYS HA A 17 LYS HGx 1.0 1.8 4.0 147 86 A 17 LYS HA A 17 LYS HGy 1.0 1.8 4.0 148 87 A 19 ASP HA A 19 ASP HBx 1.0 1.8 3.0 149 87 A 19 ASP HA A 19 ASP HBy 1.0 1.8 3.0 150 88 A 19 ASP HA A 19 ASP HBx 1.0 1.8 4.0 151 88 A 19 ASP HA A 19 ASP HBy 1.0 1.8 4.0 152 89 A 19 ASP HA A 19 ASP HBx 1.0 1.8 4.0 153 89 A 19 ASP HA A 19 ASP HBy 1.0 1.8 4.0 154 90 A 20 HIS HBx A 20 HIS HA 1.0 1.8 3.0 155 91 A 20 HIS HA A 20 HIS HBy 1.0 1.8 3.0 156 92 A 20 HIS HA A 20 HIS HBy 1.0 1.8 3.0 157 93 A 20 HIS HBx A 20 HIS HA 1.0 1.8 3.0 158 94 A 21 TRP HBx A 21 TRP HA 1.0 1.8 3.0 159 95 A 21 TRP HA A 21 TRP HBy 1.0 1.8 4.0 160 96 A 21 TRP HBx A 21 TRP HA 1.0 1.8 3.0 161 97 A 22 THR HG2% A 22 THR HA 1.0 1.8 4.0 162 98 A 22 THR HA A 22 THR HB 1.0 1.8 4.0 163 99 A 22 THR HG2% A 22 THR HA 1.0 1.8 5.5 164 100 A 22 THR HG2% A 22 THR HB 1.0 1.8 3.0 165 101 A 22 THR HA A 22 THR HB 1.0 1.8 5.5 166 102 A 22 THR HG2% A 22 THR HB 1.0 1.8 3.0 167 103 A 13 CYS HA A 22 THR HG2% 1.0 1.8 5.5 168 104 A 23 THR HA A 23 THR HB 1.0 1.8 3.0 169 105 A 23 THR HB A 23 THR HG2% 1.0 1.8 3.0 170 106 A 23 THR HB A 23 THR HG2% 1.0 1.8 3.0 171 107 A 23 THR HA A 23 THR HG2% 1.0 1.8 3.0 172 108 A 23 THR HA A 23 THR HB 1.0 1.8 3.0 173 109 A 24 ARG HBy A 24 ARG HGy 1.0 1.8 4.0 174 109 A 24 ARG HGx A 24 ARG HBy 1.0 1.8 4.0 175 110 A 24 ARG HA A 24 ARG HGy 1.0 1.8 5.5 176 110 A 24 ARG HGx A 24 ARG HA 1.0 1.8 5.5 177 111 A 24 ARG HA A 24 ARG HGy 1.0 1.8 5.5 178 111 A 24 ARG HGx A 24 ARG HA 1.0 1.8 5.5 179 112 A 24 ARG HBy A 24 ARG HGy 1.0 1.8 4.0 180 112 A 24 ARG HGx A 24 ARG HBy 1.0 1.8 4.0 181 113 A 24 ARG HA A 24 ARG HBx 1.0 1.8 4.0 182 114 A 24 ARG HBy A 24 ARG HA 1.0 1.8 4.0 183 115 A 24 ARG HDx A 24 ARG HGy 1.0 1.8 5.5 184 115 A 24 ARG HGx A 24 ARG HDx 1.0 1.8 5.5 185 115 A 24 ARG HGx A 24 ARG HDy 1.0 1.8 5.5 186 115 A 24 ARG HDy A 24 ARG HGy 1.0 1.8 5.5 187 116 A 24 ARG HA A 24 ARG HGy 1.0 1.8 4.0 188 116 A 24 ARG HGx A 24 ARG HA 1.0 1.8 4.0 189 117 A 24 ARG HA A 24 ARG HBx 1.0 1.8 3.0 190 118 A 24 ARG HBy A 24 ARG HA 1.0 1.8 3.0 191 119 A 24 ARG HBy A 24 ARG HDx 1.0 1.8 5.5 192 119 A 24 ARG HBy A 24 ARG HDy 1.0 1.8 5.5 193 120 A 24 ARG HA A 24 ARG HDx 1.0 1.8 5.5 194 120 A 24 ARG HA A 24 ARG HDy 1.0 1.8 5.5 195 121 A 24 ARG HBx A 24 ARG HDx 1.0 1.8 4.0 196 121 A 24 ARG HGx A 24 ARG HDx 1.0 1.8 4.0 197 121 A 24 ARG HDx A 24 ARG HGy 1.0 1.8 4.0 198 121 A 24 ARG HGx A 24 ARG HDy 1.0 1.8 4.0 199 121 A 24 ARG HBx A 24 ARG HDy 1.0 1.8 4.0 200 121 A 24 ARG HDy A 24 ARG HGy 1.0 1.8 4.0 201 122 A 24 ARG HDx A 24 ARG HGy 1.0 1.8 5.5 202 122 A 24 ARG HGx A 24 ARG HDx 1.0 1.8 5.5 203 122 A 24 ARG HGx A 24 ARG HDy 1.0 1.8 5.5 204 122 A 24 ARG HDy A 24 ARG HGy 1.0 1.8 5.5 205 123 A 24 ARG HBx A 24 ARG HDx 1.0 1.8 5.5 206 123 A 24 ARG HBx A 24 ARG HDy 1.0 1.8 5.5 207 124 A 24 ARG HBy A 24 ARG HGy 1.0 1.8 3.0 208 124 A 24 ARG HBy A 24 ARG HBx 1.0 1.8 3.0 209 124 A 24 ARG HGx A 24 ARG HBy 1.0 1.8 3.0 210 125 A 24 ARG HBy A 24 ARG HDx 1.0 1.8 5.5 211 125 A 24 ARG HBy A 24 ARG HDy 1.0 1.8 5.5 212 126 A 25 CYS HA A 25 CYS HBx 1.0 1.8 4.0 213 127 A 25 CYS HA A 25 CYS HBy 1.0 1.8 4.0 214 128 A 25 CYS HA A 26 PRO HDy 1.0 1.8 4.0 215 128 A 25 CYS HA A 26 PRO HDx 1.0 1.8 4.0 216 129 A 25 CYS HA A 25 CYS HBy 1.0 1.8 3.0 217 130 A 25 CYS HA A 25 CYS HBx 1.0 1.8 3.0 218 131 A 26 PRO HA A 26 PRO HBy 1.0 1.8 3.0 219 131 A 26 PRO HA A 26 PRO HBx 1.0 1.8 3.0 220 132 A 26 PRO HA A 26 PRO HBy 1.0 1.8 3.0 221 132 A 26 PRO HA A 26 PRO HGy 1.0 1.8 3.0 222 132 A 26 PRO HA A 26 PRO HGx 1.0 1.8 3.0 223 132 A 26 PRO HA A 26 PRO HBx 1.0 1.8 3.0 224 133 A 26 PRO HA A 26 PRO HGy 1.0 1.8 5.5 225 133 A 26 PRO HA A 26 PRO HGx 1.0 1.8 5.5 226 134 A 26 PRO HA A 26 PRO HDy 1.0 1.8 5.5 227 134 A 26 PRO HDx A 26 PRO HA 1.0 1.8 5.5 228 135 A 26 PRO HA A 26 PRO HDy 1.0 1.8 5.5 229 135 A 26 PRO HDx A 26 PRO HA 1.0 1.8 5.5 230 136 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 4.0 231 136 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 4.0 232 136 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 4.0 233 136 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 4.0 234 137 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 5.5 235 137 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 5.5 236 137 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 5.5 237 137 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 5.5 238 138 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 4.0 239 138 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 4.0 240 138 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 4.0 241 138 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 4.0 242 139 A 26 PRO HBy A 26 PRO HDy 1.0 1.8 5.5 243 139 A 26 PRO HBx A 26 PRO HDy 1.0 1.8 5.5 244 139 A 26 PRO HDx A 26 PRO HBy 1.0 1.8 5.5 245 139 A 26 PRO HDx A 26 PRO HBx 1.0 1.8 5.5 246 140 A 26 PRO HBx A 26 PRO HGy 1.0 1.8 4.0 247 140 A 26 PRO HBy A 26 PRO HGy 1.0 1.8 4.0 248 140 A 26 PRO HGx A 26 PRO HBy 1.0 1.8 4.0 249 140 A 26 PRO HBx A 26 PRO HGx 1.0 1.8 4.0 250 141 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 5.5 251 141 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 5.5 252 141 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 5.5 253 141 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 5.5 254 142 A 26 PRO HA A 26 PRO HDy 1.0 1.8 5.5 255 142 A 26 PRO HDx A 26 PRO HA 1.0 1.8 5.5 256 143 A 26 PRO HA A 26 PRO HDy 1.0 1.8 5.5 257 143 A 26 PRO HDx A 26 PRO HA 1.0 1.8 5.5 258 144 A 26 PRO HBy A 26 PRO HDy 1.0 1.8 5.5 259 144 A 26 PRO HBx A 26 PRO HDy 1.0 1.8 5.5 260 144 A 26 PRO HDx A 26 PRO HBy 1.0 1.8 5.5 261 144 A 26 PRO HDx A 26 PRO HBx 1.0 1.8 5.5 262 145 A 26 PRO HBy A 26 PRO HDy 1.0 1.8 5.5 263 145 A 26 PRO HBx A 26 PRO HDy 1.0 1.8 5.5 264 145 A 26 PRO HDx A 26 PRO HBy 1.0 1.8 5.5 265 145 A 26 PRO HDx A 26 PRO HBx 1.0 1.8 5.5 266 146 A 26 PRO HA A 26 PRO HBy 1.0 1.8 3.0 267 146 A 26 PRO HA A 26 PRO HBx 1.0 1.8 3.0 268 147 A 26 PRO HBy A 26 PRO HDy 1.0 1.8 5.5 269 147 A 26 PRO HBx A 26 PRO HDy 1.0 1.8 5.5 270 147 A 26 PRO HDx A 26 PRO HBy 1.0 1.8 5.5 271 147 A 26 PRO HDx A 26 PRO HBx 1.0 1.8 5.5 272 148 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 5.5 273 148 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 5.5 274 148 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 5.5 275 148 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 5.5 276 149 A 26 PRO HA A 26 PRO HGy 1.0 1.8 5.5 277 149 A 26 PRO HA A 26 PRO HGx 1.0 1.8 5.5 278 150 A 26 PRO HBx A 26 PRO HGy 1.0 1.8 4.0 279 150 A 26 PRO HBy A 26 PRO HGy 1.0 1.8 4.0 280 150 A 26 PRO HGx A 26 PRO HBy 1.0 1.8 4.0 281 150 A 26 PRO HBx A 26 PRO HGx 1.0 1.8 4.0 282 151 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 5.5 283 151 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 5.5 284 151 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 5.5 285 151 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 5.5 286 152 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 4.0 287 152 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 4.0 288 152 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 4.0 289 152 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 4.0 290 153 A 26 PRO HBx A 26 PRO HGy 1.0 1.8 4.0 291 153 A 26 PRO HBy A 26 PRO HGy 1.0 1.8 4.0 292 153 A 26 PRO HGx A 26 PRO HBy 1.0 1.8 4.0 293 153 A 26 PRO HBx A 26 PRO HGx 1.0 1.8 4.0 294 154 A 26 PRO HA A 26 PRO HGy 1.0 1.8 5.5 295 154 A 26 PRO HA A 26 PRO HGx 1.0 1.8 5.5 296 155 A 26 PRO HDx A 26 PRO HGy 1.0 1.8 5.5 297 155 A 26 PRO HDy A 26 PRO HGy 1.0 1.8 5.5 298 155 A 26 PRO HGx A 26 PRO HDy 1.0 1.8 5.5 299 155 A 26 PRO HDx A 26 PRO HGx 1.0 1.8 5.5 300 156 A 26 PRO HBx A 26 PRO HGy 1.0 1.8 4.0 301 156 A 26 PRO HBy A 26 PRO HGy 1.0 1.8 4.0 302 156 A 26 PRO HGx A 26 PRO HBy 1.0 1.8 4.0 303 156 A 26 PRO HBx A 26 PRO HGx 1.0 1.8 4.0 304 157 A 26 PRO HBy A 26 PRO HDy 1.0 1.8 5.5 305 157 A 26 PRO HBx A 26 PRO HDy 1.0 1.8 5.5 306 157 A 26 PRO HDx A 26 PRO HBy 1.0 1.8 5.5 307 157 A 26 PRO HDx A 26 PRO HBx 1.0 1.8 5.5 308 158 A 26 PRO HA A 26 PRO HBy 1.0 1.8 4.0 309 158 A 26 PRO HA A 26 PRO HBx 1.0 1.8 4.0 310 159 A 26 PRO HBy A 26 PRO HDy 1.0 1.8 5.5 311 159 A 26 PRO HBx A 26 PRO HDy 1.0 1.8 5.5 312 159 A 26 PRO HDx A 26 PRO HBy 1.0 1.8 5.5 313 159 A 26 PRO HDx A 26 PRO HBx 1.0 1.8 5.5 314 160 A 27 TYR HBy A 27 TYR HA 1.0 1.8 4.0 315 161 A 27 TYR HA A 27 TYR HBx 1.0 1.8 4.0 316 162 A 27 TYR HA A 27 TYR HBx 1.0 1.8 3.0 317 163 A 28 LYS HA A 28 LYS HBx 1.0 1.8 4.0 318 163 A 28 LYS HA A 28 LYS HBy 1.0 1.8 4.0 319 164 A 28 LYS HEx A 28 LYS HGx 1.0 1.8 5.5 320 164 A 28 LYS HEy A 28 LYS HGx 1.0 1.8 5.5 321 164 A 28 LYS HGy A 28 LYS HEx 1.0 1.8 5.5 322 164 A 28 LYS HGy A 28 LYS HEy 1.0 1.8 5.5 323 165 A 28 LYS HA A 28 LYS HGx 1.0 1.8 5.5 324 165 A 28 LYS HA A 28 LYS HGy 1.0 1.8 5.5 325 166 A 28 LYS HA A 28 LYS HGx 1.0 1.8 5.5 326 166 A 28 LYS HA A 28 LYS HGy 1.0 1.8 5.5 327 167 A 28 LYS HBx A 28 LYS HGx 1.0 1.8 4.0 328 167 A 28 LYS HBy A 28 LYS HGx 1.0 1.8 4.0 329 167 A 28 LYS HGy A 28 LYS HBx 1.0 1.8 4.0 330 167 A 28 LYS HBy A 28 LYS HGy 1.0 1.8 4.0 331 168 A 28 LYS HDx A 28 LYS HGx 1.0 1.8 3.0 332 168 A 28 LYS HDy A 28 LYS HGx 1.0 1.8 3.0 333 168 A 28 LYS HGy A 28 LYS HDx 1.0 1.8 3.0 334 168 A 28 LYS HGy A 28 LYS HDy 1.0 1.8 3.0 335 169 A 29 ASP HBy A 29 ASP HA 1.0 1.8 4.0 336 170 A 29 ASP HA A 29 ASP HBx 1.0 1.8 4.0 337 171 A 29 ASP HBy A 29 ASP HA 1.0 1.8 3.0 338 172 A 29 ASP HA A 29 ASP HBx 1.0 1.8 4.0 339 173 A 30 THR HB A 30 THR HG21 1.0 1.8 4.0 340 174 A 30 THR HG21 A 30 THR HA 1.0 1.8 4.0 341 175 A 30 THR HG21 A 30 THR HA 1.0 1.8 4.0 342 176 A 30 THR HB A 30 THR HG21 1.0 1.8 3.0 343 177 A 31 LEU HA A 31 LEU HBx 1.0 1.8 4.0 344 177 A 31 LEU HBy A 31 LEU HA 1.0 1.8 4.0 345 178 A 31 LEU HDy% A 31 LEU HBx 1.0 1.8 5.5 346 178 A 31 LEU HBy A 31 LEU HDy% 1.0 1.8 5.5 347 179 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 5.5 348 180 A 31 LEU HA A 31 LEU HBx 1.0 1.8 4.0 349 180 A 31 LEU HBy A 31 LEU HA 1.0 1.8 4.0 350 181 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 4.0 351 182 A 31 LEU HDy% A 31 LEU HBx 1.0 1.8 4.0 352 182 A 31 LEU HBy A 31 LEU HDy% 1.0 1.8 4.0 353 183 A 12 SER HA A 13 CYS HBx 1.0 1.8 5.5 354 184 A 12 SER HA A 13 CYS HBy 1.0 1.8 5.5 355 185 A 15 ILE HG2% A 27 TYR HBx 1.0 1.8 5.5 356 186 A 15 ILE HG2% A 16 CYS HBy 1.0 1.8 5.5 357 187 A 15 ILE HG2% A 16 CYS HBx 1.0 1.8 5.5 358 188 A 15 ILE HG2% A 16 CYS HA 1.0 1.8 5.5 359 189 A 15 ILE HG2% A 16 CYS HA 1.0 1.8 5.5 360 190 A 16 CYS HA A 17 LYS HGx 1.0 1.8 5.5 361 190 A 16 CYS HA A 17 LYS HGy 1.0 1.8 5.5 362 191 A 16 CYS HA A 17 LYS HGx 1.0 1.8 5.5 363 191 A 16 CYS HA A 17 LYS HGy 1.0 1.8 5.5 364 192 A 22 THR HG2% A 23 THR HA 1.0 1.8 5.5 365 193 A 22 THR HG2% A 23 THR HA 1.0 1.8 5.5 366 194 A 25 CYS HA A 26 PRO HDy 1.0 1.8 3.0 367 194 A 25 CYS HA A 26 PRO HDx 1.0 1.8 3.0 368 195 A 25 CYS HA A 26 PRO HGy 1.0 1.8 5.5 369 195 A 25 CYS HA A 26 PRO HGx 1.0 1.8 5.5 370 196 A 25 CYS HA A 26 PRO HDy 1.0 1.8 3.0 371 196 A 25 CYS HA A 26 PRO HDx 1.0 1.8 3.0 372 197 A 25 CYS HA A 26 PRO HGy 1.0 1.8 5.5 373 197 A 25 CYS HA A 26 PRO HGx 1.0 1.8 5.5 374 198 A 25 CYS HA A 26 PRO HDy 1.0 1.8 3.0 375 198 A 25 CYS HA A 26 PRO HDx 1.0 1.8 3.0 376 199 A 25 CYS HA A 26 PRO HGy 1.0 1.8 5.5 377 199 A 25 CYS HA A 26 PRO HGx 1.0 1.8 5.5 378 200 A 25 CYS HA A 26 PRO HGy 1.0 1.8 5.5 379 200 A 25 CYS HA A 26 PRO HGx 1.0 1.8 5.5 380 201 A 27 TYR HBx A 28 LYS HDx 1.0 1.8 5.5 381 201 A 27 TYR HBx A 28 LYS HDy 1.0 1.8 5.5 382 202 A 10 ILE HG2% A 12 SER HBx 1.0 1.8 5.5 383 202 A 10 ILE HG2% A 12 SER HBy 1.0 1.8 5.5 384 203 A 10 ILE HG2% A 12 SER HBx 1.0 1.8 5.5 385 203 A 10 ILE HG2% A 12 SER HBy 1.0 1.8 5.5 386 204 A 10 ILE HG2% A 12 SER HBx 1.0 1.8 5.5 387 204 A 10 ILE HG2% A 12 SER HBy 1.0 1.8 5.5 388 205 A 20 HIS HBy A 24 ARG HBy 1.0 1.8 5.5 389 206 A 20 HIS HBx A 24 ARG HBx 1.0 1.8 5.5 390 207 A 20 HIS HBy A 24 ARG HGy 1.0 1.8 5.5 391 207 A 20 HIS HBy A 24 ARG HGx 1.0 1.8 5.5 392 207 A 20 HIS HBy A 24 ARG HBx 1.0 1.8 5.5 393 208 A 20 HIS HBy A 24 ARG HBy 1.0 1.8 5.5 394 209 A 21 TRP HBx A 23 THR HG2% 1.0 1.8 5.5 395 210 A 21 TRP HBy A 24 ARG HGy 1.0 1.8 5.5 396 210 A 21 TRP HBy A 24 ARG HBx 1.0 1.8 5.5 397 210 A 21 TRP HBy A 24 ARG HGx 1.0 1.8 5.5 398 211 A 21 TRP HBy A 24 ARG HBx 1.0 1.8 5.5 399 212 A 21 TRP HBy A 24 ARG HGy 1.0 1.8 5.5 400 212 A 21 TRP HBy A 24 ARG HGx 1.0 1.8 5.5 401 213 A 21 TRP HBx A 23 THR HG2% 1.0 1.8 5.5 402 214 A 21 TRP HBx A 24 ARG HGy 1.0 1.8 5.5 403 214 A 21 TRP HBx A 24 ARG HGx 1.0 1.8 5.5 404 215 A 22 THR HG2% A 25 CYS HBy 1.0 1.8 5.5 405 216 A 22 THR HA A 25 CYS HBx 1.0 1.8 5.5 406 217 A 22 THR HA A 25 CYS HBy 1.0 1.8 5.5 407 218 A 22 THR HA A 25 CYS HBy 1.0 1.8 5.5 408 219 A 22 THR HA A 25 CYS HBx 1.0 1.8 5.5 409 220 A 22 THR HG2% A 25 CYS HBy 1.0 1.8 5.5 410 221 A 22 THR HG2% A 25 CYS HBx 1.0 1.8 5.5 411 222 A 25 CYS HBy A 28 LYS HBx 1.0 1.8 5.5 412 222 A 25 CYS HBy A 28 LYS HBy 1.0 1.8 5.5 413 223 A 25 CYS HBx A 28 LYS HDx 1.0 1.8 5.5 414 223 A 25 CYS HBx A 28 LYS HDy 1.0 1.8 5.5 415 224 A 25 CYS HBx A 28 LYS HBx 1.0 1.8 5.5 416 224 A 25 CYS HBx A 28 LYS HBy 1.0 1.8 5.5 417 225 A 25 CYS HBx A 28 LYS HGx 1.0 1.8 5.5 418 225 A 25 CYS HBx A 28 LYS HGy 1.0 1.8 5.5 419 226 A 27 TYR HA A 30 THR HG21 1.0 1.8 5.5 420 227 A 11 VAL HGy% A 20 HIS HA 1.0 1.8 5.5 421 228 A 11 VAL HGx% A 20 HIS HA 1.0 1.8 5.5 422 229 A 11 VAL HGy% A 20 HIS HA 1.0 1.8 5.5 423 230 A 11 VAL HGy% A 21 TRP HA 1.0 1.8 5.5 424 231 A 11 VAL HGx% A 21 TRP HA 1.0 1.8 5.5 425 232 A 13 CYS HBy A 22 THR HA 1.0 1.8 5.5 426 233 A 13 CYS HBx A 22 THR HA 1.0 1.8 5.5 427 234 A 13 CYS HBx A 18 GLY HAy 1.0 1.8 5.5 428 234 A 13 CYS HBx A 18 GLY HAx 1.0 1.8 5.5 429 235 A 13 CYS HA A 22 THR HA 1.0 1.8 5.5 430 236 A 13 CYS HBy A 22 THR HA 1.0 1.8 5.5 431 237 A 13 CYS HA A 21 TRP HA 1.0 1.8 5.5 432 238 A 13 CYS HA A 22 THR HG2% 1.0 1.8 5.5 433 239 A 13 CYS HBy A 18 GLY HAy 1.0 1.8 5.5 434 239 A 13 CYS HBy A 18 GLY HAx 1.0 1.8 5.5 435 240 A 13 CYS HBx A 18 GLY HAy 1.0 1.8 5.5 436 240 A 13 CYS HBx A 18 GLY HAx 1.0 1.8 5.5 437 241 A 13 CYS HBy A 18 GLY HAy 1.0 1.8 5.5 438 241 A 13 CYS HBy A 18 GLY HAx 1.0 1.8 5.5 439 242 A 22 THR HG2% A 14 ARG HBy 1.0 1.8 5.5 440 242 A 14 ARG HBx A 22 THR HG2% 1.0 1.8 5.5 441 243 A 22 THR HG2% A 14 ARG HDx 1.0 1.8 5.5 442 243 A 14 ARG HDy A 22 THR HG2% 1.0 1.8 5.5 443 244 A 22 THR HG2% A 14 ARG HBy 1.0 1.8 4.0 444 244 A 14 ARG HBx A 22 THR HG2% 1.0 1.8 4.0 445 245 A 15 ILE HD1% A 25 CYS HBx 1.0 1.8 5.5 446 246 A 15 ILE HG2% A 27 TYR HBy 1.0 1.8 5.5 447 247 A 15 ILE HD1% A 22 THR HG2% 1.0 1.8 4.0 448 248 A 15 ILE HD1% A 22 THR HA 1.0 1.8 5.5 449 249 A 15 ILE HD1% A 25 CYS HBy 1.0 1.8 5.5 450 250 A 15 ILE HD1% A 25 CYS HBx 1.0 1.8 5.5 451 251 A 15 ILE HG2% A 28 LYS HA 1.0 1.8 5.5 452 252 A 15 ILE HA A 22 THR HG2% 1.0 1.8 5.5 453 253 A 15 ILE HD1% A 28 LYS HA 1.0 1.8 4.0 454 254 A 15 ILE HB A 22 THR HG2% 1.0 1.8 5.5 455 255 A 15 ILE HD1% A 25 CYS HBy 1.0 1.8 5.5 456 256 A 15 ILE HA A 22 THR HG2% 1.0 1.8 5.5 457 257 A 15 ILE HD1% A 22 THR HG2% 1.0 1.8 4.0 458 258 A 15 ILE HG2% A 27 TYR HBx 1.0 1.8 5.5 459 259 A 15 ILE HG2% A 22 THR HG2% 1.0 1.8 5.5 460 260 A 15 ILE HD1% A 28 LYS HA 1.0 1.8 4.0 461 261 A 15 ILE HG2% A 28 LYS HA 1.0 1.8 5.5 462 262 A 15 ILE HG2% A 27 TYR HBy 1.0 1.8 5.5 463 263 A 15 ILE HB A 22 THR HG2% 1.0 1.8 5.5 464 264 A 16 CYS HBx A 27 TYR HBy 1.0 1.8 5.5 465 265 A 15 ILE HB A 16 CYS HA 1.0 1.8 5.5 466 266 A 15 ILE HB A 25 CYS HBy 1.0 1.8 5.5 467 267 A 15 ILE HB A 25 CYS HBx 1.0 1.8 5.5 468 268 A 15 ILE HB A 16 CYS HBy 1.0 1.8 5.5 469 269 A 17 LYS HA A 12 SER HBx 1.0 1.8 5.5 470 269 A 12 SER HBy A 17 LYS HA 1.0 1.8 5.5 471 270 A 17 LYS HA A 12 SER HBx 1.0 1.8 5.5 472 270 A 12 SER HBy A 17 LYS HA 1.0 1.8 5.5 473 271 A 13 CYS HA A 22 THR HG2% 1.0 1.8 5.5 474 272 A 15 ILE HG2% A 30 THR HB 1.0 1.8 5.5 475 273 A 22 THR HG2% A 14 ARG HDx 1.0 1.8 5.5 476 273 A 14 ARG HDy A 22 THR HG2% 1.0 1.8 5.5 477 274 A 15 ILE HG2% A 22 THR HG2% 1.0 1.8 5.5 478 275 A 15 ILE HA A 16 CYS HA 1.0 1.8 5.5 479 276 A 16 CYS HBx A 27 TYR HBy 1.0 1.8 5.5 480 277 A 21 TRP HBy A 24 ARG HGy 1.0 1.8 5.5 481 277 A 21 TRP HBy A 24 ARG HGx 1.0 1.8 5.5 482 278 A 15 ILE HA A 14 ARG HBy 1.0 1.8 5.5 483 278 A 14 ARG HBx A 15 ILE HA 1.0 1.8 5.5 484 279 A 22 THR HG2% A 15 ILE HG1y 1.0 1.8 5.5 485 279 A 15 ILE HG1x A 22 THR HG2% 1.0 1.8 5.5 486 280 A 11 VAL HA A 12 SER HA 1.0 1.8 5.5 487 281 A 27 TYR HA A 30 THR HG21 1.0 1.8 5.5 488 282 A 11 VAL HGy% A 21 TRP HA 1.0 1.8 5.5 489 283 A 10 ILE HA A 10 ILE H 1.0 1.8 4.0 490 284 A 10 ILE HB A 10 ILE H 1.0 1.8 3.0 491 285 A 11 VAL HA A 11 VAL H 1.0 1.8 3.0 492 286 A 11 VAL HGy% A 11 VAL H 1.0 1.8 5.5 493 287 A 11 VAL HB A 11 VAL H 1.0 1.8 3.0 494 288 A 11 VAL HGx% A 11 VAL H 1.0 1.8 3.0 495 289 A 12 SER HA A 12 SER H 1.0 1.8 4.0 496 290 A 13 CYS HBy A 13 CYS H 1.0 1.8 3.0 497 291 A 13 CYS HBx A 13 CYS H 1.0 1.8 3.0 498 292 A 13 CYS HA A 13 CYS H 1.0 1.8 3.0 499 293 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.0 500 293 A 14 ARG HBx A 14 ARG H 1.0 1.8 3.0 501 294 A 14 ARG HA A 14 ARG H 1.0 1.8 3.0 502 295 A 14 ARG H A 14 ARG HDx 1.0 1.8 5.5 503 295 A 14 ARG HDy A 14 ARG H 1.0 1.8 5.5 504 296 A 15 ILE H A 15 ILE HG1y 1.0 1.8 4.0 505 296 A 15 ILE HG1x A 15 ILE H 1.0 1.8 4.0 506 297 A 15 ILE H A 15 ILE HG1y 1.0 1.8 4.0 507 297 A 15 ILE HG1x A 15 ILE H 1.0 1.8 4.0 508 298 A 15 ILE HA A 15 ILE H 1.0 1.8 3.0 509 299 A 15 ILE HG2% A 15 ILE H 1.0 1.8 5.5 510 300 A 16 CYS HA A 16 CYS H 1.0 1.8 4.0 511 301 A 16 CYS HBy A 16 CYS H 1.0 1.8 4.0 512 302 A 16 CYS HBx A 16 CYS H 1.0 1.8 3.0 513 303 A 17 LYS HBx A 17 LYS H 1.0 1.8 4.0 514 304 A 17 LYS H A 17 LYS HDx 1.0 1.8 5.5 515 304 A 17 LYS HDy A 17 LYS H 1.0 1.8 5.5 516 305 A 17 LYS H A 17 LYS HGx 1.0 1.8 3.0 517 305 A 17 LYS HGy A 17 LYS H 1.0 1.8 3.0 518 306 A 17 LYS HBy A 17 LYS H 1.0 1.8 4.0 519 307 A 17 LYS HA A 17 LYS H 1.0 1.8 3.0 520 308 A 18 GLY H A 18 GLY HAy 1.0 1.8 3.0 521 308 A 18 GLY HAx A 18 GLY H 1.0 1.8 3.0 522 309 A 18 GLY H A 18 GLY HAy 1.0 1.8 3.0 523 309 A 18 GLY HAx A 18 GLY H 1.0 1.8 3.0 524 310 A 19 ASP H A 19 ASP HBx 1.0 1.8 3.0 525 311 A 19 ASP HA A 19 ASP H 1.0 1.8 3.0 526 312 A 20 HIS HA A 20 HIS H 1.0 1.8 4.0 527 313 A 20 HIS HBy A 20 HIS H 1.0 1.8 5.5 528 314 A 20 HIS HBx A 20 HIS H 1.0 1.8 5.5 529 315 A 20 HIS H A 20 HIS HD2 1.0 1.8 5.5 530 316 A 21 TRP HA A 21 TRP H 1.0 1.8 4.0 531 317 A 21 TRP HBx A 21 TRP H 1.0 1.8 4.0 532 318 A 22 THR HA A 22 THR H 1.0 1.8 5.5 533 319 A 23 THR HA A 23 THR H 1.0 1.8 4.0 534 320 A 23 THR HG2% A 23 THR H 1.0 1.8 4.0 535 321 A 24 ARG HA A 24 ARG H 1.0 1.8 3.0 536 322 A 24 ARG H A 24 ARG HDx 1.0 1.8 5.5 537 322 A 24 ARG HDy A 24 ARG H 1.0 1.8 5.5 538 323 A 24 ARG HBy A 24 ARG H 1.0 1.8 4.0 539 324 A 25 CYS HA A 25 CYS H 1.0 1.8 5.5 540 325 A 25 CYS HBy A 25 CYS H 1.0 1.8 4.0 541 326 A 25 CYS HBx A 25 CYS H 1.0 1.8 4.0 542 327 A 27 TYR HBx A 27 TYR H 1.0 1.8 5.5 543 328 A 27 TYR HBy A 27 TYR H 1.0 1.8 4.0 544 329 A 27 TYR H A 27 TYR HDy 1.0 1.8 5.5 545 329 A 27 TYR H A 27 TYR HDx 1.0 1.8 5.5 546 330 A 28 LYS H A 28 LYS HGx 1.0 1.8 3.0 547 330 A 28 LYS HGy A 28 LYS H 1.0 1.8 3.0 548 331 A 28 LYS H A 28 LYS HBx 1.0 1.8 3.0 549 331 A 28 LYS HBy A 28 LYS H 1.0 1.8 3.0 550 332 A 28 LYS HA A 28 LYS H 1.0 1.8 3.0 551 333 A 29 ASP HA A 29 ASP H 1.0 1.8 3.0 552 334 A 29 ASP HBy A 29 ASP H 1.0 1.8 3.0 553 335 A 29 ASP HBx A 29 ASP H 1.0 1.8 3.0 554 336 A 30 THR HA A 30 THR H 1.0 1.8 4.0 555 337 A 30 THR HG21 A 30 THR H 1.0 1.8 4.0 556 338 A 10 ILE HA A 11 VAL H 1.0 1.8 3.0 557 339 A 10 ILE HD1% A 11 VAL H 1.0 1.8 4.0 558 339 A 10 ILE HG2% A 11 VAL H 1.0 1.8 4.0 559 340 A 11 VAL H A 10 ILE HG1y 1.0 1.8 5.5 560 340 A 10 ILE HG1x A 11 VAL H 1.0 1.8 5.5 561 341 A 11 VAL HA A 10 ILE H 1.0 1.8 5.5 562 342 A 11 VAL HGx% A 10 ILE H 1.0 1.8 5.5 563 343 A 10 ILE H A 11 VAL H 1.0 1.8 4.0 564 344 A 11 VAL HB A 12 SER H 1.0 1.8 4.0 565 345 A 11 VAL HGy% A 12 SER H 1.0 1.8 5.5 566 346 A 11 VAL HGx% A 12 SER H 1.0 1.8 5.5 567 347 A 11 VAL H A 12 SER H 1.0 1.8 5.5 568 348 A 11 VAL H A 12 SER H 1.0 1.8 5.5 569 349 A 11 VAL HA A 12 SER H 1.0 1.8 3.0 570 350 A 12 SER H A 13 CYS H 1.0 1.8 5.5 571 351 A 12 SER HA A 13 CYS H 1.0 1.8 3.0 572 352 A 13 CYS H A 12 SER HBx 1.0 1.8 3.0 573 352 A 12 SER HBy A 13 CYS H 1.0 1.8 3.0 574 353 A 13 CYS H A 17 LYS H 1.0 1.8 5.5 575 354 A 12 SER H A 13 CYS H 1.0 1.8 5.5 576 355 A 13 CYS HA A 14 ARG H 1.0 1.8 3.0 577 356 A 13 CYS H A 14 ARG H 1.0 1.8 5.5 578 357 A 13 CYS HBx A 14 ARG H 1.0 1.8 5.5 579 358 A 13 CYS HBy A 14 ARG H 1.0 1.8 4.0 580 359 A 14 ARG HA A 13 CYS H 1.0 1.8 5.5 581 360 A 15 ILE HA A 14 ARG H 1.0 1.8 5.5 582 361 A 14 ARG H A 15 ILE H 1.0 1.8 3.0 583 362 A 14 ARG HA A 15 ILE H 1.0 1.8 4.0 584 363 A 15 ILE HD1% A 14 ARG H 1.0 1.8 5.5 585 364 A 15 ILE HG2% A 14 ARG H 1.0 1.8 5.5 586 365 A 14 ARG H A 15 ILE H 1.0 1.8 3.0 587 366 A 14 ARG H A 15 ILE HG1y 1.0 1.8 5.5 588 366 A 15 ILE HG1x A 14 ARG H 1.0 1.8 5.5 589 367 A 15 ILE HG2% A 16 CYS H 1.0 1.8 4.0 590 368 A 15 ILE HD1% A 16 CYS H 1.0 1.8 5.5 591 369 A 16 CYS HA A 15 ILE H 1.0 1.8 5.5 592 370 A 15 ILE H A 16 CYS H 1.0 1.8 3.0 593 371 A 15 ILE H A 16 CYS H 1.0 1.8 3.0 594 372 A 15 ILE HA A 16 CYS H 1.0 1.8 5.5 595 373 A 16 CYS H A 17 LYS H 1.0 1.8 3.0 596 374 A 17 LYS HA A 16 CYS H 1.0 1.8 4.0 597 375 A 16 CYS H A 17 LYS H 1.0 1.8 3.0 598 376 A 16 CYS HA A 17 LYS H 1.0 1.8 4.0 599 377 A 16 CYS HBy A 17 LYS H 1.0 1.8 5.5 600 378 A 17 LYS H A 18 GLY H 1.0 1.8 3.0 601 379 A 17 LYS HBx A 18 GLY H 1.0 1.8 5.5 602 380 A 17 LYS HA A 18 GLY H 1.0 1.8 4.0 603 381 A 17 LYS H A 18 GLY H 1.0 1.8 4.0 604 382 A 17 LYS HBy A 18 GLY H 1.0 1.8 5.5 605 383 A 18 GLY H A 19 ASP H 1.0 1.8 5.5 606 384 A 18 GLY H A 19 ASP H 1.0 1.8 5.5 607 385 A 19 ASP H A 18 GLY HAy 1.0 1.8 3.0 608 385 A 18 GLY HAx A 19 ASP H 1.0 1.8 3.0 609 386 A 19 ASP H A 18 GLY HAy 1.0 1.8 3.0 610 386 A 18 GLY HAx A 19 ASP H 1.0 1.8 3.0 611 387 A 19 ASP H A 20 HIS HE1 1.0 1.8 5.5 612 388 A 19 ASP H A 20 HIS H 1.0 1.8 5.5 613 389 A 20 HIS H A 21 TRP H 1.0 1.8 5.5 614 390 A 19 ASP H A 20 HIS H 1.0 1.8 5.5 615 391 A 19 ASP HA A 20 HIS H 1.0 1.8 3.0 616 392 A 20 HIS HA A 21 TRP H 1.0 1.8 3.0 617 393 A 20 HIS HBx A 21 TRP H 1.0 1.8 4.0 618 394 A 20 HIS HBy A 21 TRP H 1.0 1.8 3.0 619 395 A 20 HIS H A 21 TRP H 1.0 1.8 4.0 620 396 A 21 TRP HA A 22 THR H 1.0 1.8 4.0 621 397 A 21 TRP H A 22 THR H 1.0 1.8 5.5 622 398 A 22 THR H A 23 THR H 1.0 1.8 5.5 623 399 A 22 THR HG2% A 23 THR H 1.0 1.8 5.5 624 400 A 22 THR HA A 23 THR H 1.0 1.8 5.5 625 401 A 22 THR H A 23 THR H 1.0 1.8 5.5 626 402 A 23 THR HA A 24 ARG H 1.0 1.8 4.0 627 403 A 23 THR H A 24 ARG H 1.0 1.8 4.0 628 404 A 23 THR H A 24 ARG H 1.0 1.8 4.0 629 405 A 23 THR HG2% A 24 ARG H 1.0 1.8 5.5 630 406 A 24 ARG HA A 25 CYS H 1.0 1.8 5.5 631 407 A 25 CYS HBy A 24 ARG H 1.0 1.8 5.5 632 408 A 24 ARG H A 25 CYS H 1.0 1.8 3.0 633 409 A 24 ARG H A 25 CYS H 1.0 1.8 3.0 634 410 A 25 CYS H A 24 ARG HGy 1.0 1.8 5.5 635 410 A 24 ARG HGx A 25 CYS H 1.0 1.8 5.5 636 410 A 24 ARG HBx A 25 CYS H 1.0 1.8 5.5 637 411 A 27 TYR H A 26 PRO HDy 1.0 1.8 4.0 638 411 A 26 PRO HDx A 27 TYR H 1.0 1.8 4.0 639 412 A 26 PRO HA A 27 TYR H 1.0 1.8 5.5 640 413 A 27 TYR H A 26 PRO HGy 1.0 1.8 5.5 641 413 A 27 TYR H A 26 PRO HBy 1.0 1.8 5.5 642 413 A 26 PRO HBx A 27 TYR H 1.0 1.8 5.5 643 413 A 26 PRO HGx A 27 TYR H 1.0 1.8 5.5 644 414 A 27 TYR H A 28 LYS H 1.0 1.8 3.0 645 415 A 27 TYR HBx A 28 LYS H 1.0 1.8 5.5 646 416 A 27 TYR H A 28 LYS H 1.0 1.8 4.0 647 417 A 27 TYR HA A 28 LYS H 1.0 1.8 3.0 648 418 A 28 LYS HA A 27 TYR H 1.0 1.8 5.5 649 419 A 27 TYR HDy A 28 LYS H 1.0 1.8 5.5 650 419 A 27 TYR HDx A 28 LYS H 1.0 1.8 5.5 651 420 A 28 LYS H A 29 ASP H 1.0 1.8 3.0 652 421 A 28 LYS HA A 29 ASP H 1.0 1.8 3.0 653 422 A 28 LYS H A 29 ASP H 1.0 1.8 4.0 654 423 A 29 ASP H A 28 LYS HGx 1.0 1.8 4.0 655 423 A 28 LYS HGy A 29 ASP H 1.0 1.8 4.0 656 424 A 29 ASP H A 28 LYS HDx 1.0 1.8 5.5 657 424 A 28 LYS HDy A 29 ASP H 1.0 1.8 5.5 658 425 A 29 ASP H A 28 LYS HBx 1.0 1.8 4.0 659 425 A 28 LYS HBy A 29 ASP H 1.0 1.8 4.0 660 426 A 29 ASP HA A 30 THR H 1.0 1.8 3.0 661 427 A 29 ASP HBy A 30 THR H 1.0 1.8 5.5 662 428 A 29 ASP HBx A 30 THR H 1.0 1.8 4.0 663 429 A 29 ASP H A 30 THR H 1.0 1.8 3.0 664 430 A 29 ASP H A 30 THR H 1.0 1.8 3.0 665 431 A 30 THR HA A 29 ASP H 1.0 1.8 5.5 666 432 A 30 THR H A 31 LEU H 1.0 1.8 3.0 667 433 A 10 ILE HD1% A 12 SER H 1.0 1.8 5.5 668 433 A 10 ILE HG2% A 12 SER H 1.0 1.8 5.5 669 434 A 11 VAL HA A 13 CYS H 1.0 1.8 5.5 670 435 A 11 VAL HGy% A 13 CYS H 1.0 1.8 5.5 671 436 A 11 VAL HGx% A 13 CYS H 1.0 1.8 5.5 672 437 A 13 CYS H A 16 CYS H 1.0 1.8 5.5 673 438 A 13 CYS HA A 15 ILE H 1.0 1.8 5.5 674 439 A 13 CYS HBx A 17 LYS H 1.0 1.8 3.0 675 440 A 13 CYS H A 16 CYS H 1.0 1.8 5.5 676 441 A 13 CYS H A 17 LYS H 1.0 1.8 4.0 677 442 A 14 ARG HA A 16 CYS H 1.0 1.8 5.5 678 443 A 14 ARG H A 17 LYS HGx 1.0 1.8 5.5 679 443 A 17 LYS HGy A 14 ARG H 1.0 1.8 5.5 680 444 A 14 ARG H A 16 CYS H 1.0 1.8 5.5 681 445 A 14 ARG H A 17 LYS H 1.0 1.8 5.5 682 446 A 15 ILE HG2% A 17 LYS H 1.0 1.8 5.5 683 447 A 15 ILE HD1% A 17 LYS H 1.0 1.8 5.5 684 448 A 15 ILE HA A 17 LYS H 1.0 1.8 5.5 685 449 A 15 ILE H A 17 LYS HGx 1.0 1.8 5.5 686 449 A 17 LYS HGy A 15 ILE H 1.0 1.8 5.5 687 450 A 15 ILE H A 17 LYS H 1.0 1.8 5.5 688 451 A 15 ILE H A 17 LYS H 1.0 1.8 4.0 689 452 A 16 CYS HBy A 18 GLY H 1.0 1.8 5.5 690 453 A 16 CYS H A 18 GLY HAy 1.0 1.8 5.5 691 453 A 18 GLY HAx A 16 CYS H 1.0 1.8 5.5 692 454 A 16 CYS H A 18 GLY H 1.0 1.8 5.5 693 455 A 16 CYS H A 18 GLY H 1.0 1.8 5.5 694 456 A 17 LYS HA A 20 HIS H 1.0 1.8 5.5 695 457 A 20 HIS H A 18 GLY HAy 1.0 1.8 5.5 696 457 A 18 GLY HAx A 20 HIS H 1.0 1.8 5.5 697 458 A 21 TRP HBx A 24 ARG H 1.0 1.8 4.0 698 459 A 21 TRP HBx A 23 THR H 1.0 1.8 4.0 699 460 A 21 TRP H A 24 ARG H 1.0 1.8 5.5 700 461 A 21 TRP HA A 24 ARG H 1.0 1.8 5.5 701 462 A 21 TRP HBy A 24 ARG H 1.0 1.8 4.0 702 463 A 24 ARG HBy A 21 TRP H 1.0 1.8 5.5 703 464 A 21 TRP H A 24 ARG H 1.0 1.8 5.5 704 465 A 21 TRP HBy A 23 THR H 1.0 1.8 5.5 705 466 A 22 THR H A 24 ARG H 1.0 1.8 5.5 706 467 A 22 THR HA A 24 ARG H 1.0 1.8 5.5 707 468 A 22 THR HA A 25 CYS H 1.0 1.8 5.5 708 469 A 25 CYS HBx A 28 LYS H 1.0 1.8 4.0 709 470 A 30 THR H A 28 LYS HGx 1.0 1.8 5.5 710 470 A 28 LYS HGy A 30 THR H 1.0 1.8 5.5 711 471 A 30 THR H A 28 LYS HDx 1.0 1.8 5.5 712 471 A 28 LYS HDy A 30 THR H 1.0 1.8 5.5 713 472 A 28 LYS HA A 30 THR H 1.0 1.8 5.5 714 473 A 11 VAL HGy% A 20 HIS H 1.0 1.8 5.5 715 474 A 11 VAL HGx% A 20 HIS H 1.0 1.8 5.5 716 475 A 11 VAL HGx% A 21 TRP H 1.0 1.8 5.5 717 476 A 11 VAL HGy% A 21 TRP H 1.0 1.8 5.5 718 477 A 13 CYS HBx A 18 GLY H 1.0 1.8 3.0 719 478 A 13 CYS H A 19 ASP H 1.0 1.8 5.5 720 479 A 13 CYS H A 20 HIS H 1.0 1.8 5.5 721 480 A 13 CYS H A 18 GLY H 1.0 1.8 4.0 722 481 A 13 CYS H A 20 HIS H 1.0 1.8 4.0 723 482 A 13 CYS H A 18 GLY H 1.0 1.8 5.5 724 483 A 13 CYS H A 20 HIS HD2 1.0 1.8 5.5 725 484 A 13 CYS H A 19 ASP H 1.0 1.8 5.5 726 485 A 25 CYS HBx A 14 ARG H 1.0 1.8 5.5 727 486 A 22 THR HG2% A 14 ARG H 1.0 1.8 4.0 728 487 A 22 THR HA A 14 ARG H 1.0 1.8 5.5 729 488 A 22 THR HA A 15 ILE H 1.0 1.8 5.5 730 489 A 22 THR HG2% A 15 ILE H 1.0 1.8 4.0 731 490 A 15 ILE HD1% A 28 LYS H 1.0 1.8 5.5 732 491 A 20 HIS HD2 A 25 CYS H 1.0 1.8 5.5 733 492 A 15 ILE HD1% A 25 CYS H 1.0 1.8 5.5 734 493 A 23 THR H A 25 CYS H 1.0 1.8 5.5 735 494 A 15 ILE HG2% A 27 TYR H 1.0 1.8 5.5 736 495 A 16 CYS H A 17 LYS HGx 1.0 1.8 5.5 737 495 A 17 LYS HGy A 16 CYS H 1.0 1.8 5.5 738 496 A 16 CYS H A 17 LYS HDx 1.0 1.8 5.5 739 496 A 17 LYS HDy A 16 CYS H 1.0 1.8 5.5 740 497 A 17 LYS HBy A 16 CYS H 1.0 1.8 5.5 741 498 A 17 LYS HBx A 16 CYS H 1.0 1.8 5.5 742 499 A 21 TRP H A 24 ARG HGy 1.0 1.8 5.5 743 499 A 24 ARG HGx A 21 TRP H 1.0 1.8 5.5 744 500 A 17 LYS H A 18 GLY HAy 1.0 1.8 5.5 745 500 A 18 GLY HAx A 17 LYS H 1.0 1.8 5.5 746 501 A 13 CYS HBx A 20 HIS H 1.0 1.8 5.5 747 502 A 13 CYS HBy A 20 HIS H 1.0 1.8 5.5 748 503 A 20 HIS HBx A 20 HIS HD2 1.0 1.8 5.5 749 504 A 20 HIS HBy A 20 HIS HD2 1.0 1.8 5.5 750 505 A 21 TRP HBx A 21 TRP HE3 1.0 1.8 5.5 751 506 A 21 TRP HBy A 21 TRP HE3 1.0 1.8 5.5 752 507 A 21 TRP HBy A 21 TRP HD1 1.0 1.8 5.5 753 508 A 21 TRP HBx A 21 TRP HD1 1.0 1.8 5.5 754 509 A 21 TRP HA A 21 TRP HD1 1.0 1.8 4.0 755 510 A 21 TRP HA A 21 TRP HE3 1.0 1.8 4.0 756 511 A 27 TYR HA A 27 TYR HDy 1.0 1.8 4.0 757 511 A 27 TYR HA A 27 TYR HDx 1.0 1.8 4.0 758 512 A 27 TYR HA A 27 TYR HEy 1.0 1.8 5.5 759 512 A 27 TYR HA A 27 TYR HEx 1.0 1.8 5.5 760 513 A 27 TYR HBx A 27 TYR HDy 1.0 1.8 4.0 761 513 A 27 TYR HBx A 27 TYR HDx 1.0 1.8 4.0 762 514 A 27 TYR HBy A 27 TYR HDy 1.0 1.8 4.0 763 514 A 27 TYR HBy A 27 TYR HDx 1.0 1.8 4.0 764 515 A 27 TYR HBx A 27 TYR HEy 1.0 1.8 5.5 765 515 A 27 TYR HBx A 27 TYR HEx 1.0 1.8 5.5 766 516 A 27 TYR HBy A 27 TYR HEy 1.0 1.8 5.5 767 516 A 27 TYR HBy A 27 TYR HEx 1.0 1.8 5.5 768 517 A 27 TYR HEx A 26 PRO HGy 1.0 1.8 5.5 769 517 A 27 TYR HEy A 26 PRO HGy 1.0 1.8 5.5 770 517 A 26 PRO HGx A 27 TYR HEy 1.0 1.8 5.5 771 517 A 26 PRO HGx A 27 TYR HEx 1.0 1.8 5.5 772 518 A 27 TYR HEx A 26 PRO HGy 1.0 1.8 5.5 773 518 A 27 TYR HEy A 26 PRO HGy 1.0 1.8 5.5 774 518 A 26 PRO HGx A 27 TYR HEy 1.0 1.8 5.5 775 518 A 26 PRO HGx A 27 TYR HEx 1.0 1.8 5.5 776 519 A 27 TYR HDy A 26 PRO HDy 1.0 1.8 5.5 777 519 A 27 TYR HDx A 26 PRO HDy 1.0 1.8 5.5 778 519 A 26 PRO HDx A 27 TYR HDy 1.0 1.8 5.5 779 519 A 26 PRO HDx A 27 TYR HDx 1.0 1.8 5.5 780 520 A 27 TYR HDx A 26 PRO HBy 1.0 1.8 5.5 781 520 A 26 PRO HBx A 27 TYR HDy 1.0 1.8 5.5 782 520 A 26 PRO HBx A 27 TYR HDx 1.0 1.8 5.5 783 520 A 27 TYR HDy A 26 PRO HBy 1.0 1.8 5.5 784 521 A 27 TYR HEx A 26 PRO HBy 1.0 1.8 5.5 785 521 A 27 TYR HEy A 26 PRO HBy 1.0 1.8 5.5 786 521 A 26 PRO HBx A 27 TYR HEy 1.0 1.8 5.5 787 521 A 26 PRO HBx A 27 TYR HEx 1.0 1.8 5.5 788 522 A 27 TYR HDy A 26 PRO HDy 1.0 1.8 5.5 789 522 A 27 TYR HDx A 26 PRO HDy 1.0 1.8 5.5 790 522 A 26 PRO HDx A 27 TYR HDy 1.0 1.8 5.5 791 522 A 26 PRO HDx A 27 TYR HDx 1.0 1.8 5.5 792 523 A 20 HIS HE1 A 18 GLY HAy 1.0 1.8 5.5 793 523 A 18 GLY HAx A 20 HIS HE1 1.0 1.8 5.5 794 524 A 20 HIS HE1 A 18 GLY HAy 1.0 1.8 4.0 795 524 A 18 GLY HAx A 20 HIS HE1 1.0 1.8 4.0 796 525 A 13 CYS HBy A 20 HIS HD2 1.0 1.8 4.0 797 526 A 13 CYS HBx A 20 HIS HD2 1.0 1.8 4.0 798 527 A 15 ILE HG2% A 27 TYR HDy 1.0 1.8 5.5 799 527 A 15 ILE HG2% A 27 TYR HDx 1.0 1.8 5.5 800 528 A 16 CYS HBy A 27 TYR HEx 1.0 1.8 5.5 801 529 A 16 CYS HBy A 27 TYR HDy 1.0 1.8 4.0 802 529 A 16 CYS HBy A 27 TYR HDx 1.0 1.8 4.0 803 530 A 16 CYS HBx A 27 TYR HDy 1.0 1.8 4.0 804 530 A 16 CYS HBx A 27 TYR HDx 1.0 1.8 4.0 805 531 A 16 CYS HBx A 27 TYR HEy 1.0 1.8 5.5 806 531 A 16 CYS HBx A 27 TYR HEx 1.0 1.8 5.5 807 532 A 25 CYS HA A 20 HIS HD2 1.0 1.8 4.0 808 533 A 20 HIS HD2 A 26 PRO HDy 1.0 1.8 5.5 809 533 A 26 PRO HDx A 20 HIS HD2 1.0 1.8 5.5 810 534 A 20 HIS HE1 A 26 PRO HDy 1.0 1.8 5.5 811 534 A 26 PRO HDx A 20 HIS HE1 1.0 1.8 5.5 812 535 A 20 HIS HE1 A 26 PRO HDy 1.0 1.8 4.0 813 535 A 26 PRO HDx A 20 HIS HE1 1.0 1.8 4.0 814 536 A 25 CYS HBx A 20 HIS HD2 1.0 1.8 5.5 815 537 A 25 CYS HBy A 20 HIS HD2 1.0 1.8 5.5 816 538 A 20 HIS HA A 21 TRP HD1 1.0 1.8 5.5 817 539 A 13 CYS HBy A 20 HIS HE1 1.0 1.8 5.5 818 540 A 27 TYR HDx A 26 PRO HGy 1.0 1.8 5.5 819 540 A 27 TYR HDy A 26 PRO HGy 1.0 1.8 5.5 820 540 A 26 PRO HGx A 27 TYR HDy 1.0 1.8 5.5 821 540 A 26 PRO HGx A 27 TYR HDx 1.0 1.8 5.5 822 541 A 25 CYS HA A 20 HIS HE1 1.0 1.8 5.5 823 542 A 20 HIS HA A 20 HIS HD2 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-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 16 CYS SG A 25 CYS SG 1.0 3.6 4.2 2 2 A 13 CYS SG A 16 CYS SG 1.0 3.6 4.2 3 3 A 13 CYS SG A 25 CYS SG 1.0 3.6 4.2 4 4 A 16 CYS SG A 20 HIS NE2 1.0 3.5 4.2 5 5 A 13 CYS SG A 20 HIS NE2 1.0 3.5 4.2 6 6 A 25 CYS SG A 20 HIS NE2 1.0 3.5 4.2 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 13 CYS N A 13 CYS CA A 13 CYS CB A 13 CYS SG 1.0 130.0 230.0 CHI1 2 2 A 25 CYS N A 25 CYS CA A 25 CYS CB A 25 CYS SG 1.0 130.0 230.0 CHI1 3 3 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 10.0 110.0 CHI1 4 4 A 20 HIS N A 20 HIS CA A 20 HIS CB A 20 HIS CG 1.0 10.0 110.0 CHI1 5 5 A 24 ARG N A 24 ARG CA A 24 ARG CB A 24 ARG CG 1.0 10.0 110.0 CHI1 6 6 A 29 ASP N A 29 ASP CA A 29 ASP CB A 29 ASP CG 1.0 10.0 110.0 CHI1 7 7 A 17 LYS N A 17 LYS CA A 17 LYS CB A 17 LYS CG 1.0 -110.0 -10.0 CHI1 8 8 A 21 TRP N A 21 TRP CA A 21 TRP CB A 21 TRP CG 1.0 -110.0 -10.0 CHI1 9 9 A 27 TYR N A 27 TYR CA A 27 TYR CB A 27 TYR CG 1.0 -110.0 -10.0 CHI1 10 10 A 14 ARG N A 14 ARG CA A 14 ARG CB A 14 ARG CG 1.0 -150.0 150.0 CHI1 11 11 A 19 ASP N A 19 ASP CA A 19 ASP CB A 19 ASP CG 1.0 -150.0 150.0 CHI1 12 12 A 28 LYS N A 28 LYS CA A 28 LYS CB A 28 LYS CG 1.0 -150.0 150.0 CHI1 13 13 A 16 CYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 30.0 90.0 PHI 14 14 A 14 ARG C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -150.0 -90.0 PHI 15 15 A 15 ILE C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -150.0 -90.0 PHI 16 16 A 23 THR C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -150.0 -90.0 PHI 17 17 A 26 PRO C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -150.0 -90.0 PHI 18 18 A 10 ILE C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -160.0 -80.0 PHI 19 19 A 11 VAL C A 12 SER N A 12 SER CA A 12 SER C 1.0 -160.0 -80.0 PHI 20 20 A 29 ASP C A 30 THR N A 30 THR CA A 30 THR C 1.0 -160.0 -80.0 PHI 21 21 A 12 SER C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -90.0 -40.0 PHI 22 22 A 27 TYR C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -85.0 -35.0 PHI stop_ save_