data_nef_c15124_2jnr save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c15124_2jnr _Entry.Title ; Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide ; _Entry.Version_type original _Entry.Submission_date 2007-02-01 _Entry.Accession_date 2007-02-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.31 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Complex of VIR165 and FP1-23' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jan Munch . . . c15124_2jnr 2 Ludger Standker . . . c15124_2jnr 3 Knut Adermann . . . c15124_2jnr 4 Axel Schulz . . . c15124_2jnr 5 Stefan Pohlmann . . . c15124_2jnr 6 Chawaree Chaipan . . . c15124_2jnr 7 Thorsten Biet . . . c15124_2jnr 8 Thomas Peters . . . c15124_2jnr 9 Bernd Meyer . . . c15124_2jnr 10 Dennis Wilhelm . . . c15124_2jnr 11 Hong Lu . . . c15124_2jnr 12 Weiguo Jing . . . c15124_2jnr 13 Shibo Jiang . . . c15124_2jnr 14 Wolf-Georg Forssmann . . . c15124_2jnr 15 Frank Kirchhoff . . . c15124_2jnr stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c15124_2jnr stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Hamburg' . c15124_2jnr 2 . 'University of Luebeck' . c15124_2jnr 3 . 'University of Ulm' . c15124_2jnr 4 . 'Institute for Peptide Research (IPF)' . c15124_2jnr stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Peptide complex' . c15124_2jnr stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c15124_2jnr stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 218 c15124_2jnr stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-05-21 2007-02-01 original author . c15124_2jnr stop_ save_ save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c15124_2jnr _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 17448989 _Citation.DOI . _Citation.Full_citation . _Citation.Title 'Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 129 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 263 _Citation.Page_last 275 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jan Munch . . . c15124_2jnr 1 2 Ludger Standker . . . c15124_2jnr 1 3 Knut Adermann . . . c15124_2jnr 1 4 Axel Schulz . . . c15124_2jnr 1 5 M. Schindler . . . c15124_2jnr 1 6 R. Chinnadurai . . . c15124_2jnr 1 7 Stefan Pohlmann . . . c15124_2jnr 1 8 Chawaree Chaipan . . . c15124_2jnr 1 9 Thorsten Biet . . . c15124_2jnr 1 10 Thomas Peters . . . c15124_2jnr 1 11 Bernd Meyer . . . c15124_2jnr 1 12 Dennis Wilhelm . . . c15124_2jnr 1 13 Hong Lu . . . c15124_2jnr 1 14 Weiguo Jing . . . c15124_2jnr 1 15 Shibo Jiang . . . c15124_2jnr 1 16 Wolf-Georg Forssmann . . . c15124_2jnr 1 17 Frank Kirchhoff . . . c15124_2jnr 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c15124_2jnr _Assembly.ID 1 _Assembly.Name 'VIR165, ENV polyprotein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 4367.162 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . ? c15124_2jnr 1 2 entity_2 2 $entity_2 B B yes . . . . FP1-23 ? c15124_2jnr 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide sing 1 entity_1 1 CYS 6 6 SG 1 entity_1 1 CYS 11 11 SG A 6 CYS SG A 11 CYS SG c15124_2jnr 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 1 CYS 6 6 HG A 6 CYS HG c15124_2jnr 1 2 1 CYS 11 11 HG A 11 CYS HG c15124_2jnr 1 stop_ loop_ _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID 1 1 1 LEU 1 A 1 LEU . start . c15124_2jnr 1 1 1 2 GLU 2 A 2 GLU . middle . c15124_2jnr 1 1 1 3 ALA 3 A 3 ALA . middle . c15124_2jnr 1 1 1 4 ILE 4 A 4 ILE . middle . c15124_2jnr 1 1 1 5 PRO 5 A 5 PRO . middle no c15124_2jnr 1 1 1 6 CYS 6 A 6 CYS . middle . c15124_2jnr 1 1 1 7 SER 7 A 7 SER . middle . c15124_2jnr 1 1 1 8 ILE 8 A 8 ILE . middle . c15124_2jnr 1 1 1 9 PRO 9 A 9 PRO . middle no c15124_2jnr 1 1 1 10 PRO 10 A 10 PRO . middle no c15124_2jnr 1 1 1 11 CYS 11 A 11 CYS . middle . c15124_2jnr 1 1 1 12 PHE 12 A 12 PHE . middle . c15124_2jnr 1 1 1 13 ALA 13 A 13 ALA . middle . c15124_2jnr 1 1 1 14 PHE 14 A 14 PHE . middle . c15124_2jnr 1 1 1 15 ASN 15 A 15 ASN . middle . c15124_2jnr 1 1 1 16 LYS 16 A 16 LYS . middle . c15124_2jnr 1 1 1 17 PRO 17 A 17 PRO . middle no c15124_2jnr 1 1 1 18 PHE 18 A 18 PHE . middle . c15124_2jnr 1 1 1 19 VAL 19 A 19 VAL . middle yes c15124_2jnr 1 1 1 20 PHE 20 A 20 PHE . end . c15124_2jnr 1 2 2 1 ALA 1 B 101 ALA . start . c15124_2jnr 1 2 2 2 VAL 2 B 102 VAL . middle . c15124_2jnr 1 2 2 3 GLY 3 B 103 GLY . middle no c15124_2jnr 1 2 2 4 ILE 4 B 104 ILE . middle . c15124_2jnr 1 2 2 5 GLY 5 B 105 GLY . middle no c15124_2jnr 1 2 2 6 ALA 6 B 106 ALA . middle . c15124_2jnr 1 2 2 7 LEU 7 B 107 LEU . middle . c15124_2jnr 1 2 2 8 PHE 8 B 108 PHE . middle . c15124_2jnr 1 2 2 9 LEU 9 B 109 LEU . middle . c15124_2jnr 1 2 2 10 GLY 10 B 110 GLY . middle no c15124_2jnr 1 2 2 11 PHE 11 B 111 PHE . middle . c15124_2jnr 1 2 2 12 LEU 12 B 112 LEU . middle . c15124_2jnr 1 2 2 13 GLY 13 B 113 GLY . middle no c15124_2jnr 1 2 2 14 ALA 14 B 114 ALA . middle yes c15124_2jnr 1 2 2 15 ALA 15 B 115 ALA . middle . c15124_2jnr 1 2 2 16 GLY 16 B 116 GLY . middle no c15124_2jnr 1 2 2 17 SER 17 B 117 SER . middle . c15124_2jnr 1 2 2 18 THR 18 B 118 THR . middle . c15124_2jnr 1 2 2 19 MET 19 B 119 MET . middle . c15124_2jnr 1 2 2 20 GLY 20 B 120 GLY . middle no c15124_2jnr 1 2 2 21 ALA 21 B 121 ALA . middle . c15124_2jnr 1 2 2 22 ARG 22 B 122 ARG . middle . c15124_2jnr 1 2 2 23 SER 23 B 123 SER . end . c15124_2jnr 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Inhibition of HIV Proliferation' c15124_2jnr 1 'Fusion Peptide complex with VIR165' c15124_2jnr 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c15124_2jnr _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VIR165 _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can LEAIPCSIPPCFAFNKPFVF _Entity.Polymer_seq_one_letter_code LEAIPCSIPPCFAFNKPFVF _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment ? _Entity.Mutation ? _Entity.EC_number ? _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2241.689 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ? _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 LEU . c15124_2jnr 1 2 2 GLU . c15124_2jnr 1 3 3 ALA . c15124_2jnr 1 4 4 ILE . c15124_2jnr 1 5 5 PRO . c15124_2jnr 1 6 6 CYS . c15124_2jnr 1 7 7 SER . c15124_2jnr 1 8 8 ILE . c15124_2jnr 1 9 9 PRO . c15124_2jnr 1 10 10 PRO . c15124_2jnr 1 11 11 CYS . c15124_2jnr 1 12 12 PHE . c15124_2jnr 1 13 13 ALA . c15124_2jnr 1 14 14 PHE . c15124_2jnr 1 15 15 ASN . c15124_2jnr 1 16 16 LYS . c15124_2jnr 1 17 17 PRO . c15124_2jnr 1 18 18 PHE . c15124_2jnr 1 19 19 VAL . c15124_2jnr 1 20 20 PHE . c15124_2jnr 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LEU 1 1 c15124_2jnr 1 . GLU 2 2 c15124_2jnr 1 . ALA 3 3 c15124_2jnr 1 . ILE 4 4 c15124_2jnr 1 . PRO 5 5 c15124_2jnr 1 . CYS 6 6 c15124_2jnr 1 . SER 7 7 c15124_2jnr 1 . ILE 8 8 c15124_2jnr 1 . PRO 9 9 c15124_2jnr 1 . PRO 10 10 c15124_2jnr 1 . CYS 11 11 c15124_2jnr 1 . PHE 12 12 c15124_2jnr 1 . ALA 13 13 c15124_2jnr 1 . PHE 14 14 c15124_2jnr 1 . ASN 15 15 c15124_2jnr 1 . LYS 16 16 c15124_2jnr 1 . PRO 17 17 c15124_2jnr 1 . PHE 18 18 c15124_2jnr 1 . VAL 19 19 c15124_2jnr 1 . PHE 20 20 c15124_2jnr 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID c15124_2jnr _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'ENV polyprotein' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can AVGIGALFLGFLGAAGSTMGARS _Entity.Polymer_seq_one_letter_code AVGIGALFLGFLGAAGSTMGARS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment ? _Entity.Mutation ? _Entity.EC_number ? _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2125.473 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ? _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FP1-23 common c15124_2jnr 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 101 ALA . c15124_2jnr 2 2 102 VAL . c15124_2jnr 2 3 103 GLY . c15124_2jnr 2 4 104 ILE . c15124_2jnr 2 5 105 GLY . c15124_2jnr 2 6 106 ALA . c15124_2jnr 2 7 107 LEU . c15124_2jnr 2 8 108 PHE . c15124_2jnr 2 9 109 LEU . c15124_2jnr 2 10 110 GLY . c15124_2jnr 2 11 111 PHE . c15124_2jnr 2 12 112 LEU . c15124_2jnr 2 13 113 GLY . c15124_2jnr 2 14 114 ALA . c15124_2jnr 2 15 115 ALA . c15124_2jnr 2 16 116 GLY . c15124_2jnr 2 17 117 SER . c15124_2jnr 2 18 118 THR . c15124_2jnr 2 19 119 MET . c15124_2jnr 2 20 120 GLY . c15124_2jnr 2 21 121 ALA . c15124_2jnr 2 22 122 ARG . c15124_2jnr 2 23 123 SER . c15124_2jnr 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 c15124_2jnr 2 . VAL 2 2 c15124_2jnr 2 . GLY 3 3 c15124_2jnr 2 . ILE 4 4 c15124_2jnr 2 . GLY 5 5 c15124_2jnr 2 . ALA 6 6 c15124_2jnr 2 . LEU 7 7 c15124_2jnr 2 . PHE 8 8 c15124_2jnr 2 . LEU 9 9 c15124_2jnr 2 . GLY 10 10 c15124_2jnr 2 . PHE 11 11 c15124_2jnr 2 . LEU 12 12 c15124_2jnr 2 . GLY 13 13 c15124_2jnr 2 . ALA 14 14 c15124_2jnr 2 . ALA 15 15 c15124_2jnr 2 . GLY 16 16 c15124_2jnr 2 . SER 17 17 c15124_2jnr 2 . THR 18 18 c15124_2jnr 2 . MET 19 19 c15124_2jnr 2 . GLY 20 20 c15124_2jnr 2 . ALA 21 21 c15124_2jnr 2 . ARG 22 22 c15124_2jnr 2 . SER 23 23 c15124_2jnr 2 stop_ save_ save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c15124_2jnr _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $VIR165 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . c15124_2jnr 1 2 2 $FP1-23 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . c15124_2jnr 1 stop_ save_ save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c15124_2jnr _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $VIR165 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c15124_2jnr 1 2 2 $FP1-23 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c15124_2jnr 1 stop_ save_ save_FPVIR_complex _Sample.Sf_category sample _Sample.Sf_framecode FPVIR_complex _Sample.Entry_ID c15124_2jnr _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O; 3%DMSO added' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VIR165 'natural abundance' . . 1 $VIR165 . . 0.75 . . mM . . . . c15124_2jnr 1 2 FP1-23 'natural abundance' . . 2 $FP1-23 . . 0.75 . . mM . . . . c15124_2jnr 1 3 DMSO . . . . . . . 3 . . % . . . . c15124_2jnr 1 4 H2O . . . . . . . 90 . . % . . . . c15124_2jnr 1 5 D2O . . . . . . . 10 . . % . . . . c15124_2jnr 1 stop_ save_ save_RT-Water _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode RT-Water _Sample_condition_list.Entry_ID c15124_2jnr _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K c15124_2jnr 1 pH 4.7 . pH c15124_2jnr 1 pressure 1 . atm c15124_2jnr 1 'ionic strength' 0 . M c15124_2jnr 1 stop_ save_ save_SYBYL _Software.Sf_category software _Software.Sf_framecode SYBYL _Software.Entry_ID c15124_2jnr _Software.ID 1 _Software.Name SYBYL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Tripos . . c15124_2jnr 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c15124_2jnr 1 stop_ save_ save_nmr_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_1 _NMR_spectrometer.Entry_ID c15124_2jnr _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Avance _NMR_spectrometer.Model DPX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_nmr_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_2 _NMR_spectrometer.Entry_ID c15124_2jnr _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DPX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_nmr_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr_spectrometer_3 _NMR_spectrometer.Entry_ID c15124_2jnr _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DPX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 250 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c15124_2jnr _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 'Avance DRX 700' Bruker DRX . 700 . . . c15124_2jnr 1 2 'Bruker DRX 500' Bruker DRX . 500 . . . c15124_2jnr 1 3 'Bruker DPX 250' Bruker DPX . 250 . . . c15124_2jnr 1 stop_ save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c15124_2jnr _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID _Experiment.X_ray_instrument_ID _Experiment.X_ray_instrument_label 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $FPVIR_complex isotropic . . 1 $RT-Water . . . . . . . . . . . . . . . . . . . c15124_2jnr 1 . . 2 '2D DQF-COSY' no . . . . . . . . . . 1 $FPVIR_complex isotropic . . 1 $RT-Water . . . . . . . . . . . . . . . . . . . c15124_2jnr 1 . . 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $FPVIR_complex isotropic . . 1 $RT-Water . . . . . . . . . . . . . . . . . . . c15124_2jnr 1 . . stop_ save_ save_external_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode external_DSS _Chem_shift_reference.Entry_ID c15124_2jnr _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . c15124_2jnr 1 stop_ save_ save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c15124_2jnr _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Data_file_name merged_15124_2jnr.str _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $RT-Water _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $external_DSS _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H TOCSY' . . . c15124_2jnr 1 2 '2D DQF-COSY' . . . c15124_2jnr 1 1 '2D 1H-1H NOESY' . . . c15124_2jnr 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Original_PDB_strand_ID _Atom_chem_shift.Original_PDB_residue_no _Atom_chem_shift.Original_PDB_residue_name _Atom_chem_shift.Original_PDB_atom_name _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 1 1 1 1 LEU HA H 1 3.854 0.02 . 1 . . . A 1 LEU HA A 1 LEU HA . c15124_2jnr 1 2 1 1 1 1 LEU HD11 H 1 0.775 0.02 . 1 . . . A 1 LEU HD11 A 1 LEU HD11 . c15124_2jnr 1 3 1 1 1 1 LEU HD12 H 1 0.775 0.02 . 1 . . . A 1 LEU HD12 A 1 LEU HD12 . c15124_2jnr 1 4 1 1 1 1 LEU HD13 H 1 0.775 0.02 . 1 . . . A 1 LEU HD13 A 1 LEU HD13 . c15124_2jnr 1 5 1 1 1 1 LEU HD21 H 1 0.692 0.02 . 1 . . . A 1 LEU HD21 A 1 LEU HD21 . c15124_2jnr 1 6 1 1 1 1 LEU HD22 H 1 0.692 0.02 . 1 . . . A 1 LEU HD22 A 1 LEU HD22 . c15124_2jnr 1 7 1 1 1 1 LEU HD23 H 1 0.692 0.02 . 1 . . . A 1 LEU HD23 A 1 LEU HD23 . c15124_2jnr 1 8 1 1 1 1 LEU HG H 1 0.775 0.02 . 1 . . . A 1 LEU HG A 1 LEU HG . c15124_2jnr 1 9 1 1 2 2 GLU H H 1 8.596 0.02 . 1 . . . A 2 GLU H A 2 GLU H . c15124_2jnr 1 10 1 1 2 2 GLU HA H 1 4.203 0.02 . 1 . . . A 2 GLU HA A 2 GLU HA . c15124_2jnr 1 11 1 1 3 3 ALA H H 1 8.317 0.02 . 1 . . . A 3 ALA H A 3 ALA H . c15124_2jnr 1 12 1 1 3 3 ALA HA H 1 4.140 0.02 . 1 . . . A 3 ALA HA A 3 ALA HA . c15124_2jnr 1 13 1 1 3 3 ALA HB1 H 1 1.157 0.02 . 1 . . . A 3 ALA HB1 A 3 ALA HB1 . c15124_2jnr 1 14 1 1 3 3 ALA HB2 H 1 1.157 0.02 . 1 . . . A 3 ALA HB2 A 3 ALA HB2 . c15124_2jnr 1 15 1 1 3 3 ALA HB3 H 1 1.157 0.02 . 1 . . . A 3 ALA HB3 A 3 ALA HB3 . c15124_2jnr 1 16 1 1 4 4 ILE H H 1 8.047 0.02 . 1 . . . A 4 ILE H A 4 ILE H . c15124_2jnr 1 17 1 1 4 4 ILE HA H 1 4.293 0.02 . 1 . . . A 4 ILE HA A 4 ILE HA . c15124_2jnr 1 18 1 1 4 4 ILE HB H 1 1.690 0.02 . 1 . . . A 4 ILE HB A 4 ILE HB . c15124_2jnr 1 19 1 1 4 4 ILE HD11 H 1 0.693 0.02 . 1 . . . A 4 ILE HD11 A 4 ILE HD11 . c15124_2jnr 1 20 1 1 4 4 ILE HD12 H 1 0.693 0.02 . 1 . . . A 4 ILE HD12 A 4 ILE HD12 . c15124_2jnr 1 21 1 1 4 4 ILE HD13 H 1 0.693 0.02 . 1 . . . A 4 ILE HD13 A 4 ILE HD13 . c15124_2jnr 1 22 1 1 4 4 ILE HG12 H 1 1.004 0.02 . 1 . . . A 4 ILE HG12 A 4 ILE HG12 . c15124_2jnr 1 23 1 1 4 4 ILE HG13 H 1 1.345 0.02 . 1 . . . A 4 ILE HG13 A 4 ILE HG13 . c15124_2jnr 1 24 1 1 4 4 ILE HG21 H 1 0.790 0.02 . 1 . . . A 4 ILE HG21 A 4 ILE HG21 . c15124_2jnr 1 25 1 1 4 4 ILE HG22 H 1 0.790 0.02 . 1 . . . A 4 ILE HG22 A 4 ILE HG22 . c15124_2jnr 1 26 1 1 4 4 ILE HG23 H 1 0.790 0.02 . 1 . . . A 4 ILE HG23 A 4 ILE HG23 . c15124_2jnr 1 27 1 1 5 5 PRO HA H 1 4.228 0.02 . 5 1 . . A 5 PRO HA A 5 PRO HA . c15124_2jnr 1 28 1 1 5 5 PRO HD2 H 1 3.426 0.02 . 5 1 . . A 5 PRO HD2 A 5 PRO HD2 . c15124_2jnr 1 29 1 1 5 5 PRO HD3 H 1 3.521 0.02 . 5 1 . . A 5 PRO HD3 A 5 PRO HD3 . c15124_2jnr 1 30 1 1 6 6 CYS H H 1 8.165 0.02 . 1 . . . A 6 CYS H A 6 CYS H . c15124_2jnr 1 31 1 1 6 6 CYS HA H 1 4.569 0.02 . 1 . . . A 6 CYS HA A 6 CYS HA . c15124_2jnr 1 32 1 1 6 6 CYS HB2 H 1 3.022 0.02 . 1 . . . A 6 CYS HB2 A 6 CYS HB2 . c15124_2jnr 1 33 1 1 6 6 CYS HB3 H 1 2.868 0.02 . 1 . . . A 6 CYS HB3 A 6 CYS HB3 . c15124_2jnr 1 34 1 1 7 7 SER H H 1 8.622 0.02 . 1 . . . A 7 SER H A 7 SER H . c15124_2jnr 1 35 1 1 7 7 SER HA H 1 4.230 0.02 . 1 . . . A 7 SER HA A 7 SER HA . c15124_2jnr 1 36 1 1 7 7 SER HB2 H 1 3.724 0.02 . 1 . . . A 7 SER HB2 A 7 SER HB2 . c15124_2jnr 1 37 1 1 7 7 SER HB3 H 1 3.676 0.02 . 1 . . . A 7 SER HB3 A 7 SER HB3 . c15124_2jnr 1 38 1 1 8 8 ILE H H 1 7.467 0.02 . 1 . . . A 8 ILE H A 8 ILE H . c15124_2jnr 1 39 1 1 8 8 ILE HA H 1 4.370 0.02 . 1 . . . A 8 ILE HA A 8 ILE HA . c15124_2jnr 1 40 1 1 8 8 ILE HB H 1 1.650 0.02 . 1 . . . A 8 ILE HB A 8 ILE HB . c15124_2jnr 1 41 1 1 8 8 ILE HD11 H 1 0.695 0.02 . 1 . . . A 8 ILE HD11 A 8 ILE HD11 . c15124_2jnr 1 42 1 1 8 8 ILE HD12 H 1 0.695 0.02 . 1 . . . A 8 ILE HD12 A 8 ILE HD12 . c15124_2jnr 1 43 1 1 8 8 ILE HD13 H 1 0.695 0.02 . 1 . . . A 8 ILE HD13 A 8 ILE HD13 . c15124_2jnr 1 44 1 1 8 8 ILE HG12 H 1 0.883 0.02 . 1 . . . A 8 ILE HG12 A 8 ILE HG12 . c15124_2jnr 1 45 1 1 8 8 ILE HG13 H 1 1.293 0.02 . 1 . . . A 8 ILE HG13 A 8 ILE HG13 . c15124_2jnr 1 46 1 1 8 8 ILE HG21 H 1 0.726 0.02 . 1 . . . A 8 ILE HG21 A 8 ILE HG21 . c15124_2jnr 1 47 1 1 8 8 ILE HG22 H 1 0.726 0.02 . 1 . . . A 8 ILE HG22 A 8 ILE HG22 . c15124_2jnr 1 48 1 1 8 8 ILE HG23 H 1 0.726 0.02 . 1 . . . A 8 ILE HG23 A 8 ILE HG23 . c15124_2jnr 1 49 1 1 9 9 PRO HA H 1 4.221 0.02 . 5 1 . . A 9 PRO HA A 9 PRO HA . c15124_2jnr 1 50 1 1 9 9 PRO HD2 H 1 3.699 0.02 . 5 1 . . A 9 PRO HD2 A 9 PRO HD2 . c15124_2jnr 1 51 1 1 10 10 PRO HA H 1 4.268 0.02 . 1 . . . A 10 PRO HA A 10 PRO HA . c15124_2jnr 1 52 1 1 10 10 PRO HD2 H 1 3.430 0.02 . 1 . . . A 10 PRO HD2 A 10 PRO HD2 . c15124_2jnr 1 53 1 1 10 10 PRO HD3 H 1 3.333 0.02 . 1 . . . A 10 PRO HD3 A 10 PRO HD3 . c15124_2jnr 1 54 1 1 11 11 CYS H H 1 8.596 0.02 . 1 . . . A 11 CYS H A 11 CYS H . c15124_2jnr 1 55 1 1 11 11 CYS HA H 1 4.573 0.02 . 1 . . . A 11 CYS HA A 11 CYS HA . c15124_2jnr 1 56 1 1 11 11 CYS HB2 H 1 3.022 0.02 . 1 . . . A 11 CYS HB2 A 11 CYS HB2 . c15124_2jnr 1 57 1 1 11 11 CYS HB3 H 1 2.563 0.02 . 1 . . . A 11 CYS HB3 A 11 CYS HB3 . c15124_2jnr 1 58 1 1 12 12 PHE H H 1 8.197 0.02 . 1 . . . A 12 PHE H A 12 PHE H . c15124_2jnr 1 59 1 1 12 12 PHE HA H 1 4.436 0.02 . 1 . . . A 12 PHE HA A 12 PHE HA . c15124_2jnr 1 60 1 1 12 12 PHE HB2 H 1 2.865 0.02 . 1 . . . A 12 PHE HB2 A 12 PHE HB2 . c15124_2jnr 1 61 1 1 12 12 PHE HB3 H 1 2.711 0.02 . 1 . . . A 12 PHE HB3 A 12 PHE HB3 . c15124_2jnr 1 62 1 1 12 12 PHE HD1 H 1 7.025 0.02 . 1 . . . A 12 PHE HD1 A 12 PHE HD1 . c15124_2jnr 1 63 1 1 12 12 PHE HE1 H 1 7.138 0.02 . 1 . . . A 12 PHE HE1 A 12 PHE HE1 . c15124_2jnr 1 64 1 1 13 13 ALA H H 1 8.150 0.02 . 1 . . . A 13 ALA H A 13 ALA H . c15124_2jnr 1 65 1 1 13 13 ALA HA H 1 4.112 0.02 . 1 . . . A 13 ALA HA A 13 ALA HA . c15124_2jnr 1 66 1 1 13 13 ALA HB1 H 1 1.102 0.02 . 1 . . . A 13 ALA HB1 A 13 ALA HB1 . c15124_2jnr 1 67 1 1 13 13 ALA HB2 H 1 1.102 0.02 . 1 . . . A 13 ALA HB2 A 13 ALA HB2 . c15124_2jnr 1 68 1 1 13 13 ALA HB3 H 1 1.102 0.02 . 1 . . . A 13 ALA HB3 A 13 ALA HB3 . c15124_2jnr 1 69 1 1 14 14 PHE H H 1 7.917 0.02 . 1 . . . A 14 PHE H A 14 PHE H . c15124_2jnr 1 70 1 1 14 14 PHE HA H 1 4.395 0.02 . 1 . . . A 14 PHE HA A 14 PHE HA . c15124_2jnr 1 71 1 1 14 14 PHE HB2 H 1 2.972 0.02 . 1 . . . A 14 PHE HB2 A 14 PHE HB2 . c15124_2jnr 1 72 1 1 14 14 PHE HB3 H 1 2.864 0.02 . 1 . . . A 14 PHE HB3 A 14 PHE HB3 . c15124_2jnr 1 73 1 1 15 15 ASN H H 1 8.164 0.02 . 1 . . . A 15 ASN H A 15 ASN H . c15124_2jnr 1 74 1 1 15 15 ASN HA H 1 4.469 0.02 . 1 . . . A 15 ASN HA A 15 ASN HA . c15124_2jnr 1 75 1 1 15 15 ASN HB2 H 1 2.572 0.02 . 1 . . . A 15 ASN HB2 A 15 ASN HB2 . c15124_2jnr 1 76 1 1 15 15 ASN HB3 H 1 2.512 0.02 . 1 . . . A 15 ASN HB3 A 15 ASN HB3 . c15124_2jnr 1 77 1 1 16 16 LYS H H 1 7.915 0.02 . 1 . . . A 16 LYS H A 16 LYS H . c15124_2jnr 1 78 1 1 16 16 LYS HA H 1 4.368 0.02 . 1 . . . A 16 LYS HA A 16 LYS HA . c15124_2jnr 1 79 1 1 16 16 LYS HB2 H 1 1.608 0.02 . 1 . . . A 16 LYS HB2 A 16 LYS HB2 . c15124_2jnr 1 80 1 1 16 16 LYS HD2 H 1 1.497 0.02 . 1 . . . A 16 LYS HD2 A 16 LYS HD2 . c15124_2jnr 1 81 1 1 16 16 LYS HE2 H 1 2.801 0.02 . 1 . . . A 16 LYS HE2 A 16 LYS HE2 . c15124_2jnr 1 82 1 1 16 16 LYS HG2 H 1 1.244 0.02 . 1 . . . A 16 LYS HG2 A 16 LYS HG2 . c15124_2jnr 1 83 1 1 16 16 LYS HZ1 H 1 7.363 0.02 . 1 . . . A 16 LYS HZ1 A 16 LYS HZ1 . c15124_2jnr 1 84 1 1 16 16 LYS HZ2 H 1 7.363 0.02 . 1 . . . A 16 LYS HZ2 A 16 LYS HZ2 . c15124_2jnr 1 85 1 1 16 16 LYS HZ3 H 1 7.363 0.02 . 1 . . . A 16 LYS HZ3 A 16 LYS HZ3 . c15124_2jnr 1 86 1 1 17 17 PRO HA H 1 4.176 0.02 . 1 . . . A 17 PRO HA A 17 PRO HA . c15124_2jnr 1 87 1 1 17 17 PRO HD2 H 1 3.582 0.02 . 1 . . . A 17 PRO HD2 A 17 PRO HD2 . c15124_2jnr 1 88 1 1 17 17 PRO HD3 H 1 3.433 0.02 . 1 . . . A 17 PRO HD3 A 17 PRO HD3 . c15124_2jnr 1 89 1 1 18 18 PHE H H 1 8.064 0.02 . 1 . . . A 18 PHE H A 18 PHE H . c15124_2jnr 1 90 1 1 18 18 PHE HA H 1 4.369 0.02 . 1 . . . A 18 PHE HA A 18 PHE HA . c15124_2jnr 1 91 1 1 18 18 PHE HB2 H 1 2.828 0.02 . 1 . . . A 18 PHE HB2 A 18 PHE HB2 . c15124_2jnr 1 92 1 1 18 18 PHE HB3 H 1 2.828 0.02 . 1 . . . A 18 PHE HB3 A 18 PHE HB3 . c15124_2jnr 1 93 1 1 18 18 PHE HD1 H 1 6.998 0.02 . 1 . . . A 18 PHE HD1 A 18 PHE HD1 . c15124_2jnr 1 94 1 1 19 19 VAL H H 1 7.636 0.02 . 1 . . . A 19 VAL H A 19 VAL H . c15124_2jnr 1 95 1 1 19 19 VAL HA H 1 3.868 0.02 . 1 . . . A 19 VAL HA A 19 VAL HA . c15124_2jnr 1 96 1 1 19 19 VAL HB H 1 1.747 0.02 . 1 . . . A 19 VAL HB A 19 VAL HB . c15124_2jnr 1 97 1 1 19 19 VAL HG11 H 1 0.660 0.02 . 1 . . . A 19 VAL HG11 A 19 VAL HG11 . c15124_2jnr 1 98 1 1 19 19 VAL HG12 H 1 0.660 0.02 . 1 . . . A 19 VAL HG12 A 19 VAL HG12 . c15124_2jnr 1 99 1 1 19 19 VAL HG13 H 1 0.660 0.02 . 1 . . . A 19 VAL HG13 A 19 VAL HG13 . c15124_2jnr 1 100 1 1 20 20 PHE H H 1 7.532 0.02 . 1 . . . A 20 PHE H A 20 PHE H . c15124_2jnr 1 101 1 1 20 20 PHE HA H 1 4.211 0.02 . 1 . . . A 20 PHE HA A 20 PHE HA . c15124_2jnr 1 102 1 1 20 20 PHE HB2 H 1 2.942 0.02 . 1 . . . A 20 PHE HB2 A 20 PHE HB2 . c15124_2jnr 1 103 1 1 20 20 PHE HB3 H 1 2.771 0.02 . 1 . . . A 20 PHE HB3 A 20 PHE HB3 . c15124_2jnr 1 104 2 2 1 1 ALA HA H 1 3.969 0.02 . 1 . . . B 101 ALA HA B 101 ALA HA . c15124_2jnr 1 105 2 2 1 1 ALA HB1 H 1 1.341 0.02 . 1 . . . B 101 ALA HB1 B 101 ALA HB1 . c15124_2jnr 1 106 2 2 1 1 ALA HB2 H 1 1.341 0.02 . 1 . . . B 101 ALA HB2 B 101 ALA HB2 . c15124_2jnr 1 107 2 2 1 1 ALA HB3 H 1 1.341 0.02 . 1 . . . B 101 ALA HB3 B 101 ALA HB3 . c15124_2jnr 1 108 2 2 2 2 VAL H H 1 8.356 0.02 . 1 . . . B 102 VAL H B 102 VAL H . c15124_2jnr 1 109 2 2 2 2 VAL HA H 1 4.007 0.02 . 1 . . . B 102 VAL HA B 102 VAL HA . c15124_2jnr 1 110 2 2 2 2 VAL HB H 1 1.899 0.02 . 1 . . . B 102 VAL HB B 102 VAL HB . c15124_2jnr 1 111 2 2 2 2 VAL HG11 H 1 0.794 0.02 . 1 . . . B 102 VAL HG11 B 102 VAL HG11 . c15124_2jnr 1 112 2 2 2 2 VAL HG12 H 1 0.794 0.02 . 1 . . . B 102 VAL HG12 B 102 VAL HG12 . c15124_2jnr 1 113 2 2 2 2 VAL HG13 H 1 0.794 0.02 . 1 . . . B 102 VAL HG13 B 102 VAL HG13 . c15124_2jnr 1 114 2 2 3 3 GLY H H 1 8.326 0.02 . 1 . . . B 103 GLY H B 103 GLY H . c15124_2jnr 1 115 2 2 3 3 GLY HA2 H 1 3.820 0.02 . 1 . . . B 103 GLY HA2 B 103 GLY HA2 . c15124_2jnr 1 116 2 2 3 3 GLY HA3 H 1 3.721 0.02 . 1 . . . B 103 GLY HA3 B 103 GLY HA3 . c15124_2jnr 1 117 2 2 4 4 ILE H H 1 7.949 0.02 . 1 . . . B 104 ILE H B 104 ILE H . c15124_2jnr 1 118 2 2 4 4 ILE HA H 1 4.025 0.02 . 1 . . . B 104 ILE HA B 104 ILE HA . c15124_2jnr 1 119 2 2 4 4 ILE HB H 1 1.714 0.02 . 1 . . . B 104 ILE HB B 104 ILE HB . c15124_2jnr 1 120 2 2 4 4 ILE HD11 H 1 0.694 0.02 . 1 . . . B 104 ILE HD11 B 104 ILE HD11 . c15124_2jnr 1 121 2 2 4 4 ILE HD12 H 1 0.694 0.02 . 1 . . . B 104 ILE HD12 B 104 ILE HD12 . c15124_2jnr 1 122 2 2 4 4 ILE HD13 H 1 0.694 0.02 . 1 . . . B 104 ILE HD13 B 104 ILE HD13 . c15124_2jnr 1 123 2 2 4 4 ILE HG12 H 1 1.291 0.02 . 1 . . . B 104 ILE HG12 B 104 ILE HG12 . c15124_2jnr 1 124 2 2 4 4 ILE HG13 H 1 1.022 0.02 . 1 . . . B 104 ILE HG13 B 104 ILE HG13 . c15124_2jnr 1 125 2 2 5 5 GLY H H 1 8.368 0.02 . 1 . . . B 105 GLY H B 105 GLY H . c15124_2jnr 1 126 2 2 5 5 GLY HA2 H 1 3.763 0.02 . 1 . . . B 105 GLY HA2 B 105 GLY HA2 . c15124_2jnr 1 127 2 2 6 6 ALA H H 1 7.944 0.02 . 1 . . . B 106 ALA H B 106 ALA H . c15124_2jnr 1 128 2 2 6 6 ALA HA H 1 4.077 0.02 . 1 . . . B 106 ALA HA B 106 ALA HA . c15124_2jnr 1 129 2 2 6 6 ALA HB1 H 1 1.168 0.02 . 1 . . . B 106 ALA HB1 B 106 ALA HB1 . c15124_2jnr 1 130 2 2 6 6 ALA HB2 H 1 1.168 0.02 . 1 . . . B 106 ALA HB2 B 106 ALA HB2 . c15124_2jnr 1 131 2 2 6 6 ALA HB3 H 1 1.168 0.02 . 1 . . . B 106 ALA HB3 B 106 ALA HB3 . c15124_2jnr 1 132 2 2 7 7 LEU H H 1 7.929 0.02 . 1 . . . B 107 LEU H B 107 LEU H . c15124_2jnr 1 133 2 2 7 7 LEU HA H 1 4.085 0.02 . 1 . . . B 107 LEU HA B 107 LEU HA . c15124_2jnr 1 134 2 2 7 7 LEU HB2 H 1 1.263 0.02 . 1 . . . B 107 LEU HB2 B 107 LEU HB2 . c15124_2jnr 1 135 2 2 7 7 LEU HB3 H 1 1.261 0.02 . 1 . . . B 107 LEU HB3 B 107 LEU HB3 . c15124_2jnr 1 136 2 2 7 7 LEU HD11 H 1 0.718 0.02 . 1 . . . B 107 LEU HD11 B 107 LEU HD11 . c15124_2jnr 1 137 2 2 7 7 LEU HD12 H 1 0.718 0.02 . 1 . . . B 107 LEU HD12 B 107 LEU HD12 . c15124_2jnr 1 138 2 2 7 7 LEU HD13 H 1 0.718 0.02 . 1 . . . B 107 LEU HD13 B 107 LEU HD13 . c15124_2jnr 1 139 2 2 7 7 LEU HD21 H 1 0.661 0.02 . 1 . . . B 107 LEU HD21 B 107 LEU HD21 . c15124_2jnr 1 140 2 2 7 7 LEU HD22 H 1 0.661 0.02 . 1 . . . B 107 LEU HD22 B 107 LEU HD22 . c15124_2jnr 1 141 2 2 7 7 LEU HD23 H 1 0.661 0.02 . 1 . . . B 107 LEU HD23 B 107 LEU HD23 . c15124_2jnr 1 142 2 2 8 8 PHE H H 1 7.988 0.02 . 1 . . . B 108 PHE H B 108 PHE H . c15124_2jnr 1 143 2 2 8 8 PHE HA H 1 4.439 0.02 . 1 . . . B 108 PHE HA B 108 PHE HA . c15124_2jnr 1 144 2 2 8 8 PHE HB2 H 1 2.940 0.02 . 1 . . . B 108 PHE HB2 B 108 PHE HB2 . c15124_2jnr 1 145 2 2 8 8 PHE HB3 H 1 2.859 0.02 . 1 . . . B 108 PHE HB3 B 108 PHE HB3 . c15124_2jnr 1 146 2 2 8 8 PHE HD1 H 1 7.062 0.02 . 1 . . . B 108 PHE HD1 B 108 PHE HD1 . c15124_2jnr 1 147 2 2 9 9 LEU H H 1 7.961 0.02 . 1 . . . B 109 LEU H B 109 LEU H . c15124_2jnr 1 148 2 2 9 9 LEU HA H 1 4.097 0.02 . 1 . . . B 109 LEU HA B 109 LEU HA . c15124_2jnr 1 149 2 2 9 9 LEU HB2 H 1 1.379 0.02 . 1 . . . B 109 LEU HB2 B 109 LEU HB2 . c15124_2jnr 1 150 2 2 9 9 LEU HG H 1 1.380 0.02 . 1 . . . B 109 LEU HG B 109 LEU HG . c15124_2jnr 1 151 2 2 10 10 GLY H H 1 7.410 0.02 . 1 . . . B 110 GLY H B 110 GLY H . c15124_2jnr 1 152 2 2 10 10 GLY HA2 H 1 3.570 0.02 . 1 . . . B 110 GLY HA2 B 110 GLY HA2 . c15124_2jnr 1 153 2 2 10 10 GLY HA3 H 1 3.667 0.02 . 1 . . . B 110 GLY HA3 B 110 GLY HA3 . c15124_2jnr 1 154 2 2 11 11 PHE H H 1 7.865 0.02 . 1 . . . B 111 PHE H B 111 PHE H . c15124_2jnr 1 155 2 2 11 11 PHE HA H 1 4.456 0.02 . 1 . . . B 111 PHE HA B 111 PHE HA . c15124_2jnr 1 156 2 2 11 11 PHE HB2 H 1 2.963 0.02 . 1 . . . B 111 PHE HB2 B 111 PHE HB2 . c15124_2jnr 1 157 2 2 11 11 PHE HB3 H 1 2.883 0.02 . 1 . . . B 111 PHE HB3 B 111 PHE HB3 . c15124_2jnr 1 158 2 2 11 11 PHE HD1 H 1 7.097 0.02 . 1 . . . B 111 PHE HD1 B 111 PHE HD1 . c15124_2jnr 1 159 2 2 12 12 LEU H H 1 8.091 0.02 . 1 . . . B 112 LEU H B 112 LEU H . c15124_2jnr 1 160 2 2 12 12 LEU HA H 1 4.130 0.02 . 1 . . . B 112 LEU HA B 112 LEU HA . c15124_2jnr 1 161 2 2 12 12 LEU HB2 H 1 1.437 0.02 . 1 . . . B 112 LEU HB2 B 112 LEU HB2 . c15124_2jnr 1 162 2 2 12 12 LEU HB3 H 1 1.380 0.02 . 1 . . . B 112 LEU HB3 B 112 LEU HB3 . c15124_2jnr 1 163 2 2 12 12 LEU HD11 H 1 0.728 0.02 . 1 . . . B 112 LEU HD11 B 112 LEU HD11 . c15124_2jnr 1 164 2 2 12 12 LEU HD12 H 1 0.728 0.02 . 1 . . . B 112 LEU HD12 B 112 LEU HD12 . c15124_2jnr 1 165 2 2 12 12 LEU HD13 H 1 0.728 0.02 . 1 . . . B 112 LEU HD13 B 112 LEU HD13 . c15124_2jnr 1 166 2 2 12 12 LEU HD21 H 1 0.669 0.02 . 1 . . . B 112 LEU HD21 B 112 LEU HD21 . c15124_2jnr 1 167 2 2 12 12 LEU HD22 H 1 0.669 0.02 . 1 . . . B 112 LEU HD22 B 112 LEU HD22 . c15124_2jnr 1 168 2 2 12 12 LEU HD23 H 1 0.669 0.02 . 1 . . . B 112 LEU HD23 B 112 LEU HD23 . c15124_2jnr 1 169 2 2 13 13 GLY H H 1 7.705 0.02 . 1 . . . B 113 GLY H B 113 GLY H . c15124_2jnr 1 170 2 2 13 13 GLY HA2 H 1 3.694 0.02 . 1 . . . B 113 GLY HA2 B 113 GLY HA2 . c15124_2jnr 1 171 2 2 14 14 ALA H H 1 8.200 0.02 . 5 6 . . B 114 ALA H B 114 ALA H . c15124_2jnr 1 172 2 2 14 14 ALA HA H 1 4.120 0.02 . 5 6 . . B 114 ALA HA B 114 ALA HA . c15124_2jnr 1 173 2 2 14 14 ALA HB1 H 1 1.227 0.02 . 5 6 . . B 114 ALA HB1 B 114 ALA HB1 . c15124_2jnr 1 174 2 2 14 14 ALA HB2 H 1 1.227 0.02 . 5 6 . . B 114 ALA HB2 B 114 ALA HB2 . c15124_2jnr 1 175 2 2 14 14 ALA HB3 H 1 1.227 0.02 . 5 6 . . B 114 ALA HB3 B 114 ALA HB3 . c15124_2jnr 1 176 2 2 15 15 ALA H H 1 8.199 0.02 . 5 6 . . B 115 ALA H B 115 ALA H . c15124_2jnr 1 177 2 2 15 15 ALA HA H 1 4.126 0.02 . 5 6 . . B 115 ALA HA B 115 ALA HA . c15124_2jnr 1 178 2 2 15 15 ALA HB1 H 1 1.233 0.02 . 5 6 . . B 115 ALA HB1 B 115 ALA HB1 . c15124_2jnr 1 179 2 2 15 15 ALA HB2 H 1 1.233 0.02 . 5 6 . . B 115 ALA HB2 B 115 ALA HB2 . c15124_2jnr 1 180 2 2 15 15 ALA HB3 H 1 1.233 0.02 . 5 6 . . B 115 ALA HB3 B 115 ALA HB3 . c15124_2jnr 1 181 2 2 16 16 GLY H H 1 8.163 0.02 . 1 . . . B 116 GLY H B 116 GLY H . c15124_2jnr 1 182 2 2 16 16 GLY HA2 H 1 3.790 0.02 . 1 . . . B 116 GLY HA2 B 116 GLY HA2 . c15124_2jnr 1 183 2 2 17 17 SER H H 1 8.005 0.02 . 1 . . . B 117 SER H B 117 SER H . c15124_2jnr 1 184 2 2 17 17 SER HA H 1 4.357 0.02 . 1 . . . B 117 SER HA B 117 SER HA . c15124_2jnr 1 185 2 2 17 17 SER HB2 H 1 3.770 0.02 . 1 . . . B 117 SER HB2 B 117 SER HB2 . c15124_2jnr 1 186 2 2 17 17 SER HB3 H 1 3.701 0.02 . 1 . . . B 117 SER HB3 B 117 SER HB3 . c15124_2jnr 1 187 2 2 18 18 THR H H 1 8.076 0.02 . 1 . . . B 118 THR H B 118 THR H . c15124_2jnr 1 188 2 2 18 18 THR HA H 1 4.213 0.02 . 1 . . . B 118 THR HA B 118 THR HA . c15124_2jnr 1 189 2 2 18 18 THR HB H 1 4.123 0.02 . 1 . . . B 118 THR HB B 118 THR HB . c15124_2jnr 1 190 2 2 18 18 THR HG21 H 1 1.039 0.02 . 1 . . . B 118 THR HG21 B 118 THR HG21 . c15124_2jnr 1 191 2 2 18 18 THR HG22 H 1 1.039 0.02 . 1 . . . B 118 THR HG22 B 118 THR HG22 . c15124_2jnr 1 192 2 2 18 18 THR HG23 H 1 1.039 0.02 . 1 . . . B 118 THR HG23 B 118 THR HG23 . c15124_2jnr 1 193 2 2 19 19 MET H H 1 8.188 0.02 . 1 . . . B 119 MET H B 119 MET H . c15124_2jnr 1 194 2 2 19 19 MET HA H 1 4.301 0.02 . 1 . . . B 119 MET HA B 119 MET HA . c15124_2jnr 1 195 2 2 19 19 MET HB2 H 1 1.939 0.02 . 1 . . . B 119 MET HB2 B 119 MET HB2 . c15124_2jnr 1 196 2 2 19 19 MET HB3 H 1 1.848 0.02 . 1 . . . B 119 MET HB3 B 119 MET HB3 . c15124_2jnr 1 197 2 2 19 19 MET HG2 H 1 2.443 0.02 . 1 . . . B 119 MET HG2 B 119 MET HG2 . c15124_2jnr 1 198 2 2 19 19 MET HG3 H 1 2.367 0.02 . 1 . . . B 119 MET HG3 B 119 MET HG3 . c15124_2jnr 1 199 2 2 20 20 GLY H H 1 8.227 0.02 . 1 . . . B 120 GLY H B 120 GLY H . c15124_2jnr 1 200 2 2 20 20 GLY HA2 H 1 3.761 0.02 . 1 . . . B 120 GLY HA2 B 120 GLY HA2 . c15124_2jnr 1 201 2 2 20 20 GLY HA3 H 1 3.761 0.02 . 1 . . . B 120 GLY HA3 B 120 GLY HA3 . c15124_2jnr 1 202 2 2 21 21 ALA H H 1 8.000 0.02 . 1 . . . B 121 ALA H B 121 ALA H . c15124_2jnr 1 203 2 2 21 21 ALA HA H 1 4.140 0.02 . 1 . . . B 121 ALA HA B 121 ALA HA . c15124_2jnr 1 204 2 2 21 21 ALA HB1 H 1 1.223 0.02 . 1 . . . B 121 ALA HB1 B 121 ALA HB1 . c15124_2jnr 1 205 2 2 21 21 ALA HB2 H 1 1.223 0.02 . 1 . . . B 121 ALA HB2 B 121 ALA HB2 . c15124_2jnr 1 206 2 2 21 21 ALA HB3 H 1 1.223 0.02 . 1 . . . B 121 ALA HB3 B 121 ALA HB3 . c15124_2jnr 1 207 2 2 22 22 ARG H H 1 8.224 0.02 . 1 . . . B 122 ARG H B 122 ARG H . c15124_2jnr 1 208 2 2 22 22 ARG HA H 1 4.201 0.02 . 1 . . . B 122 ARG HA B 122 ARG HA . c15124_2jnr 1 209 2 2 22 22 ARG HB2 H 1 1.733 0.02 . 1 . . . B 122 ARG HB2 B 122 ARG HB2 . c15124_2jnr 1 210 2 2 22 22 ARG HB3 H 1 1.616 0.02 . 1 . . . B 122 ARG HB3 B 122 ARG HB3 . c15124_2jnr 1 211 2 2 22 22 ARG HD2 H 1 3.038 0.02 . 1 . . . B 122 ARG HD2 B 122 ARG HD2 . c15124_2jnr 1 212 2 2 22 22 ARG HG2 H 1 1.495 0.02 . 1 . . . B 122 ARG HG2 B 122 ARG HG2 . c15124_2jnr 1 213 2 2 22 22 ARG HH11 H 1 7.028 0.02 . 1 . . . B 122 ARG HH11 B 122 ARG HH11 . c15124_2jnr 1 214 2 2 22 22 ARG HH12 H 1 7.028 0.02 . 1 . . . B 122 ARG HH12 B 122 ARG HH12 . c15124_2jnr 1 215 2 2 23 23 SER H H 1 8.069 0.02 . 1 . . . B 123 SER H B 123 SER H . c15124_2jnr 1 216 2 2 23 23 SER HA H 1 4.242 0.02 . 1 . . . B 123 SER HA B 123 SER HA . c15124_2jnr 1 217 2 2 23 23 SER HB2 H 1 3.693 0.02 . 1 . . . B 123 SER HB2 B 123 SER HB2 . c15124_2jnr 1 218 2 2 23 23 SER HB3 H 1 3.693 0.02 . 1 . . . B 123 SER HB3 B 123 SER HB3 . c15124_2jnr 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 27 c15124_2jnr 1 1 28 c15124_2jnr 1 1 29 c15124_2jnr 1 1 49 c15124_2jnr 1 1 50 c15124_2jnr 1 2 171 c15124_2jnr 1 2 172 c15124_2jnr 1 2 173 c15124_2jnr 1 2 174 c15124_2jnr 1 2 175 c15124_2jnr 1 2 176 c15124_2jnr 1 2 177 c15124_2jnr 1 2 178 c15124_2jnr 1 2 179 c15124_2jnr 1 2 180 c15124_2jnr 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c15124_2jnr _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c15124_2jnr _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c15124_2jnr 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c15124_2jnr 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 LEU C C -11.420 -6.786 7.862 . . . 1.0 . . . . . . . . . . . . A . 1 LEU C . . . . . . . . . c15124_2jnr 1 . 1 . 2 . 1 1 1 LEU CA C -12.926 -6.715 7.605 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CA . . . . . . . . . c15124_2jnr 1 . 1 . 3 . 1 1 1 LEU CB C -13.774 -7.085 8.849 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CB . . . . . . . . . c15124_2jnr 1 . 1 . 4 . 1 1 1 LEU CD1 C -14.848 -6.808 11.065 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 5 . 1 1 1 LEU CD2 C -12.403 -5.986 10.829 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 6 . 1 1 1 LEU CG C -13.815 -6.167 10.078 . . . 1.0 . . . . . . . . . . . . A . 1 LEU CG . . . . . . . . . c15124_2jnr 1 . 1 . 7 . 1 1 1 LEU H1 H -13.227 -7.408 5.669 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H1 . . . . . . . . . c15124_2jnr 1 . 1 . 8 . 1 1 1 LEU H2 H -13.431 -8.632 6.857 . . . 1.0 . . . . . . . . . . . . A . 1 LEU H2 . . . . . . . . . c15124_2jnr 1 . 1 . 9 . 1 1 1 LEU HA H -13.112 -5.654 7.385 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HA . . . . . . . . . c15124_2jnr 1 . 1 . 10 . 1 1 1 LEU HB2 H -14.762 -7.068 8.458 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 11 . 1 1 1 LEU HB3 H -13.435 -8.069 9.193 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 12 . 1 1 1 LEU HD11 H -15.797 -6.984 10.681 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD11 . . . . . . . . . c15124_2jnr 1 . 1 . 13 . 1 1 1 LEU HD12 H -14.509 -7.796 11.398 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD12 . . . . . . . . . c15124_2jnr 1 . 1 . 14 . 1 1 1 LEU HD13 H -14.902 -6.093 11.856 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD13 . . . . . . . . . c15124_2jnr 1 . 1 . 15 . 1 1 1 LEU HD21 H -11.651 -5.517 10.179 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD21 . . . . . . . . . c15124_2jnr 1 . 1 . 16 . 1 1 1 LEU HD22 H -12.640 -5.429 11.740 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD22 . . . . . . . . . c15124_2jnr 1 . 1 . 17 . 1 1 1 LEU HD23 H -11.997 -6.972 11.128 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HD23 . . . . . . . . . c15124_2jnr 1 . 1 . 18 . 1 1 1 LEU HG H -14.216 -5.178 9.782 . . . 1.0 . . . . . . . . . . . . A . 1 LEU HG . . . . . . . . . c15124_2jnr 1 . 1 . 19 . 1 1 1 LEU N N -13.317 -7.655 6.604 . . . 1.0 . . . . . . . . . . . . A . 1 LEU N . . . . . . . . . c15124_2jnr 1 . 1 . 20 . 1 1 1 LEU O O -10.799 -5.814 7.497 . . . 1.0 . . . . . . . . . . . . A . 1 LEU O . . . . . . . . . c15124_2jnr 1 . 1 . 21 . 1 1 2 GLU C C -8.910 -8.282 6.923 . . . 1.0 . . . . . . . . . . . . A . 2 GLU C . . . . . . . . . c15124_2jnr 1 . 1 . 22 . 1 1 2 GLU CA C -9.445 -8.071 8.250 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CA . . . . . . . . . c15124_2jnr 1 . 1 . 23 . 1 1 2 GLU CB C -8.933 -9.214 9.136 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CB . . . . . . . . . c15124_2jnr 1 . 1 . 24 . 1 1 2 GLU CD C -6.575 -8.129 9.857 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CD . . . . . . . . . c15124_2jnr 1 . 1 . 25 . 1 1 2 GLU CG C -7.355 -9.312 9.290 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CG . . . . . . . . . c15124_2jnr 1 . 1 . 26 . 1 1 2 GLU H H -11.393 -8.770 8.607 . . . 1.0 . . . . . . . . . . . . A . 2 GLU H . . . . . . . . . c15124_2jnr 1 . 1 . 27 . 1 1 2 GLU HA H -9.028 -7.168 8.626 . . . 1.0 . . . . . . . . . . . . A . 2 GLU HA . . . . . . . . . c15124_2jnr 1 . 1 . 28 . 1 1 2 GLU HB2 H -9.441 -9.038 10.056 . . . 1.0 . . . . . . . . . . . . A . 2 GLU HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 29 . 1 1 2 GLU HB3 H -9.296 -10.195 8.755 . . . 1.0 . . . . . . . . . . . . A . 2 GLU HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 30 . 1 1 2 GLU HE2 H -5.240 -6.743 9.492 . . . 1.0 . . . . . . . . . . . . A . 2 GLU HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 31 . 1 1 2 GLU HG2 H -7.140 -10.162 9.865 . . . 1.0 . . . . . . . . . . . . A . 2 GLU HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 32 . 1 1 2 GLU HG3 H -6.809 -9.444 8.333 . . . 1.0 . . . . . . . . . . . . A . 2 GLU HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 33 . 1 1 2 GLU N N -10.855 -7.952 8.287 . . . 1.0 . . . . . . . . . . . . A . 2 GLU N . . . . . . . . . c15124_2jnr 1 . 1 . 34 . 1 1 2 GLU O O -7.963 -7.603 6.532 . . . 1.0 . . . . . . . . . . . . A . 2 GLU O . . . . . . . . . c15124_2jnr 1 . 1 . 35 . 1 1 2 GLU OE1 O -5.664 -7.479 9.056 . . . 1.0 . . . . . . . . . . . . A . 2 GLU OE1 . . . . . . . . . c15124_2jnr 1 . 1 . 36 . 1 1 2 GLU OE2 O -6.851 -7.766 10.997 . . . 1.0 . . . . . . . . . . . . A . 2 GLU OE2 . . . . . . . . . c15124_2jnr 1 . 1 . 37 . 1 1 3 ALA C C -9.185 -8.213 3.848 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . c15124_2jnr 1 . 1 . 38 . 1 1 3 ALA CA C -9.319 -9.453 4.739 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . c15124_2jnr 1 . 1 . 39 . 1 1 3 ALA CB C -10.468 -10.282 4.048 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . c15124_2jnr 1 . 1 . 40 . 1 1 3 ALA H H -10.406 -9.562 6.495 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . c15124_2jnr 1 . 1 . 41 . 1 1 3 ALA HA H -8.410 -10.113 4.709 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . c15124_2jnr 1 . 1 . 42 . 1 1 3 ALA HB1 H -11.515 -9.939 4.208 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . c15124_2jnr 1 . 1 . 43 . 1 1 3 ALA HB2 H -10.324 -10.348 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 44 . 1 1 3 ALA HB3 H -10.344 -11.296 4.375 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 45 . 1 1 3 ALA N N -9.597 -9.137 6.159 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . c15124_2jnr 1 . 1 . 46 . 1 1 3 ALA O O -8.223 -7.999 3.142 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . c15124_2jnr 1 . 1 . 47 . 1 1 4 ILE C C -11.247 -5.063 3.823 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c15124_2jnr 1 . 1 . 48 . 1 1 4 ILE CA C -10.309 -6.078 3.192 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c15124_2jnr 1 . 1 . 49 . 1 1 4 ILE CB C -10.551 -6.245 1.694 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c15124_2jnr 1 . 1 . 50 . 1 1 4 ILE CD1 C -10.865 -4.991 -0.607 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 51 . 1 1 4 ILE CG1 C -10.362 -4.865 0.904 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c15124_2jnr 1 . 1 . 52 . 1 1 4 ILE CG2 C -11.793 -7.071 1.310 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c15124_2jnr 1 . 1 . 53 . 1 1 4 ILE H H -10.974 -7.454 4.645 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c15124_2jnr 1 . 1 . 54 . 1 1 4 ILE HA H -9.257 -5.706 3.143 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c15124_2jnr 1 . 1 . 55 . 1 1 4 ILE HB H -9.674 -6.782 1.269 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c15124_2jnr 1 . 1 . 56 . 1 1 4 ILE HD11 H -10.748 -4.092 -1.256 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c15124_2jnr 1 . 1 . 57 . 1 1 4 ILE HD12 H -10.303 -5.871 -0.982 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c15124_2jnr 1 . 1 . 58 . 1 1 4 ILE HD13 H -11.948 -5.179 -0.502 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c15124_2jnr 1 . 1 . 59 . 1 1 4 ILE HG12 H -10.890 -4.040 1.489 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c15124_2jnr 1 . 1 . 60 . 1 1 4 ILE HG13 H -9.314 -4.512 0.925 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c15124_2jnr 1 . 1 . 61 . 1 1 4 ILE HG21 H -11.812 -7.504 0.249 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c15124_2jnr 1 . 1 . 62 . 1 1 4 ILE HG22 H -11.973 -7.899 1.997 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c15124_2jnr 1 . 1 . 63 . 1 1 4 ILE HG23 H -12.597 -6.425 1.416 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c15124_2jnr 1 . 1 . 64 . 1 1 4 ILE N N -10.212 -7.318 3.972 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c15124_2jnr 1 . 1 . 65 . 1 1 4 ILE O O -12.421 -5.457 3.798 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c15124_2jnr 1 . 1 . 66 . 1 1 5 PRO C C -12.625 -2.110 4.222 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c15124_2jnr 1 . 1 . 67 . 1 1 5 PRO CA C -11.819 -3.047 5.048 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c15124_2jnr 1 . 1 . 68 . 1 1 5 PRO CB C -10.864 -2.410 6.074 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c15124_2jnr 1 . 1 . 69 . 1 1 5 PRO CD C -9.425 -3.437 4.430 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c15124_2jnr 1 . 1 . 70 . 1 1 5 PRO CG C -9.473 -2.254 5.434 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c15124_2jnr 1 . 1 . 71 . 1 1 5 PRO HA H -12.697 -3.473 5.612 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c15124_2jnr 1 . 1 . 72 . 1 1 5 PRO HB2 H -11.063 -1.483 6.656 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 73 . 1 1 5 PRO HB3 H -10.819 -3.199 6.880 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 74 . 1 1 5 PRO HD2 H -9.045 -3.274 3.428 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 75 . 1 1 5 PRO HD3 H -8.910 -4.198 4.989 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c15124_2jnr 1 . 1 . 76 . 1 1 5 PRO HG2 H -9.508 -1.333 4.797 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 77 . 1 1 5 PRO HG3 H -8.631 -2.164 6.128 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 78 . 1 1 5 PRO N N -10.859 -3.882 4.392 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c15124_2jnr 1 . 1 . 79 . 1 1 5 PRO O O -12.949 -1.019 4.694 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c15124_2jnr 1 . 1 . 80 . 1 1 6 CYS C C -14.185 -2.014 0.811 . . . 1.0 . . . . . . . . . . . . A . 6 CYS C . . . . . . . . . c15124_2jnr 1 . 1 . 81 . 1 1 6 CYS CA C -13.546 -1.380 2.050 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CA . . . . . . . . . c15124_2jnr 1 . 1 . 82 . 1 1 6 CYS CB C -12.303 -0.538 1.588 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CB . . . . . . . . . c15124_2jnr 1 . 1 . 83 . 1 1 6 CYS H H -12.652 -3.347 2.511 . . . 1.0 . . . . . . . . . . . . A . 6 CYS H . . . . . . . . . c15124_2jnr 1 . 1 . 84 . 1 1 6 CYS HA H -14.364 -0.799 2.553 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HA . . . . . . . . . c15124_2jnr 1 . 1 . 85 . 1 1 6 CYS HB2 H -11.532 -1.281 1.250 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 86 . 1 1 6 CYS HB3 H -12.606 0.085 0.748 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 87 . 1 1 6 CYS N N -13.014 -2.460 2.950 . . . 1.0 . . . . . . . . . . . . A . 6 CYS N . . . . . . . . . c15124_2jnr 1 . 1 . 88 . 1 1 6 CYS O O -15.379 -2.233 0.992 . . . 1.0 . . . . . . . . . . . . A . 6 CYS O . . . . . . . . . c15124_2jnr 1 . 1 . 89 . 1 1 6 CYS SG S -11.392 0.420 2.793 . . . 1.0 . . . . . . . . . . . . A . 6 CYS SG . . . . . . . . . c15124_2jnr 1 . 1 . 90 . 1 1 7 SER C C -14.568 -1.518 -2.394 . . . 1.0 . . . . . . . . . . . . A . 7 SER C . . . . . . . . . c15124_2jnr 1 . 1 . 91 . 1 1 7 SER CA C -14.184 -2.710 -1.546 . . . 1.0 . . . . . . . . . . . . A . 7 SER CA . . . . . . . . . c15124_2jnr 1 . 1 . 92 . 1 1 7 SER CB C -15.210 -3.864 -1.304 . . . 1.0 . . . . . . . . . . . . A . 7 SER CB . . . . . . . . . c15124_2jnr 1 . 1 . 93 . 1 1 7 SER H H -12.534 -2.089 -0.434 . . . 1.0 . . . . . . . . . . . . A . 7 SER H . . . . . . . . . c15124_2jnr 1 . 1 . 94 . 1 1 7 SER HA H -13.479 -3.316 -2.143 . . . 1.0 . . . . . . . . . . . . A . 7 SER HA . . . . . . . . . c15124_2jnr 1 . 1 . 95 . 1 1 7 SER HB2 H -16.174 -3.426 -0.870 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 96 . 1 1 7 SER HB3 H -15.573 -4.332 -2.188 . . . 1.0 . . . . . . . . . . . . A . 7 SER HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 97 . 1 1 7 SER HG H -14.316 -4.646 0.280 . . . 1.0 . . . . . . . . . . . . A . 7 SER HG . . . . . . . . . c15124_2jnr 1 . 1 . 98 . 1 1 7 SER N N -13.504 -2.242 -0.353 . . . 1.0 . . . . . . . . . . . . A . 7 SER N . . . . . . . . . c15124_2jnr 1 . 1 . 99 . 1 1 7 SER O O -14.357 -1.520 -3.626 . . . 1.0 . . . . . . . . . . . . A . 7 SER O . . . . . . . . . c15124_2jnr 1 . 1 . 100 . 1 1 7 SER OG O -14.475 -4.859 -0.618 . . . 1.0 . . . . . . . . . . . . A . 7 SER OG . . . . . . . . . c15124_2jnr 1 . 1 . 101 . 1 1 8 ILE C C -14.444 1.725 -2.583 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . c15124_2jnr 1 . 1 . 102 . 1 1 8 ILE CA C -15.548 0.684 -2.651 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . c15124_2jnr 1 . 1 . 103 . 1 1 8 ILE CB C -16.941 1.023 -2.174 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . c15124_2jnr 1 . 1 . 104 . 1 1 8 ILE CD1 C -19.296 -0.128 -1.808 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 105 . 1 1 8 ILE CG1 C -17.975 -0.161 -2.514 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . c15124_2jnr 1 . 1 . 106 . 1 1 8 ILE CG2 C -17.579 2.338 -2.774 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . c15124_2jnr 1 . 1 . 107 . 1 1 8 ILE H H -15.258 -0.408 -0.871 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . c15124_2jnr 1 . 1 . 108 . 1 1 8 ILE HA H -15.712 0.488 -3.680 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . c15124_2jnr 1 . 1 . 109 . 1 1 8 ILE HB H -16.986 1.207 -1.067 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . c15124_2jnr 1 . 1 . 110 . 1 1 8 ILE HD11 H -19.202 -0.360 -0.767 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . c15124_2jnr 1 . 1 . 111 . 1 1 8 ILE HD12 H -19.823 0.770 -1.970 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . c15124_2jnr 1 . 1 . 112 . 1 1 8 ILE HD13 H -19.807 -0.935 -2.231 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . c15124_2jnr 1 . 1 . 113 . 1 1 8 ILE HG12 H -18.090 -0.274 -3.606 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG12 . . . . . . . . . c15124_2jnr 1 . 1 . 114 . 1 1 8 ILE HG13 H -17.524 -1.139 -2.213 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . c15124_2jnr 1 . 1 . 115 . 1 1 8 ILE HG21 H -16.911 3.141 -2.412 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . c15124_2jnr 1 . 1 . 116 . 1 1 8 ILE HG22 H -17.553 2.341 -3.808 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . c15124_2jnr 1 . 1 . 117 . 1 1 8 ILE HG23 H -18.596 2.590 -2.436 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . c15124_2jnr 1 . 1 . 118 . 1 1 8 ILE N N -15.156 -0.462 -1.864 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . c15124_2jnr 1 . 1 . 119 . 1 1 8 ILE O O -13.772 1.775 -3.583 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . c15124_2jnr 1 . 1 . 120 . 1 1 9 PRO C C -11.871 3.208 -2.219 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c15124_2jnr 1 . 1 . 121 . 1 1 9 PRO CA C -13.235 3.743 -1.878 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c15124_2jnr 1 . 1 . 122 . 1 1 9 PRO CB C -13.406 4.508 -0.553 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c15124_2jnr 1 . 1 . 123 . 1 1 9 PRO CD C -14.700 2.503 -0.272 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c15124_2jnr 1 . 1 . 124 . 1 1 9 PRO CG C -13.622 3.350 0.400 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c15124_2jnr 1 . 1 . 125 . 1 1 9 PRO HA H -13.612 4.338 -2.703 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c15124_2jnr 1 . 1 . 126 . 1 1 9 PRO HB2 H -12.513 5.108 -0.150 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 127 . 1 1 9 PRO HB3 H -14.292 5.246 -0.533 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 128 . 1 1 9 PRO HD2 H -14.686 1.465 0.060 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 129 . 1 1 9 PRO HD3 H -15.722 2.938 -0.235 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c15124_2jnr 1 . 1 . 130 . 1 1 9 PRO HG2 H -12.711 2.854 0.586 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 131 . 1 1 9 PRO HG3 H -14.101 3.750 1.315 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 132 . 1 1 9 PRO N N -14.208 2.641 -1.615 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c15124_2jnr 1 . 1 . 133 . 1 1 9 PRO O O -11.556 2.060 -1.919 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c15124_2jnr 1 . 1 . 134 . 1 1 10 PRO C C -8.884 2.869 -2.005 . . . 1.0 . . . . . . . . . . . . A . 10 PRO C . . . . . . . . . c15124_2jnr 1 . 1 . 135 . 1 1 10 PRO CA C -9.649 3.365 -3.211 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CA . . . . . . . . . c15124_2jnr 1 . 1 . 136 . 1 1 10 PRO CB C -8.882 4.590 -3.786 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CB . . . . . . . . . c15124_2jnr 1 . 1 . 137 . 1 1 10 PRO CD C -11.126 5.339 -3.054 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CD . . . . . . . . . c15124_2jnr 1 . 1 . 138 . 1 1 10 PRO CG C -9.661 5.851 -3.279 . . . 1.0 . . . . . . . . . . . . A . 10 PRO CG . . . . . . . . . c15124_2jnr 1 . 1 . 139 . 1 1 10 PRO HA H -9.775 2.570 -4.013 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HA . . . . . . . . . c15124_2jnr 1 . 1 . 140 . 1 1 10 PRO HB2 H -7.817 4.539 -3.653 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 141 . 1 1 10 PRO HB3 H -9.062 4.474 -4.841 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 142 . 1 1 10 PRO HD2 H -11.734 5.944 -2.371 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 143 . 1 1 10 PRO HD3 H -11.707 5.450 -4.005 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HD3 . . . . . . . . . c15124_2jnr 1 . 1 . 144 . 1 1 10 PRO HG2 H -9.258 6.324 -2.301 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 145 . 1 1 10 PRO HG3 H -9.471 6.751 -4.014 . . . 1.0 . . . . . . . . . . . . A . 10 PRO HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 146 . 1 1 10 PRO N N -10.895 3.925 -2.827 . . . 1.0 . . . . . . . . . . . . A . 10 PRO N . . . . . . . . . c15124_2jnr 1 . 1 . 147 . 1 1 10 PRO O O -8.300 3.721 -1.347 . . . 1.0 . . . . . . . . . . . . A . 10 PRO O . . . . . . . . . c15124_2jnr 1 . 1 . 148 . 1 1 11 CYS C C -7.386 -0.157 -0.869 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . c15124_2jnr 1 . 1 . 149 . 1 1 11 CYS CA C -8.361 0.921 -0.426 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . c15124_2jnr 1 . 1 . 150 . 1 1 11 CYS CB C -9.454 0.261 0.505 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . c15124_2jnr 1 . 1 . 151 . 1 1 11 CYS H H -9.595 0.905 -2.104 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . c15124_2jnr 1 . 1 . 152 . 1 1 11 CYS HA H -7.983 1.721 0.260 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . c15124_2jnr 1 . 1 . 153 . 1 1 11 CYS HB2 H -10.046 -0.468 -0.095 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 154 . 1 1 11 CYS HB3 H -8.902 -0.317 1.257 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 155 . 1 1 11 CYS N N -8.968 1.557 -1.622 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . c15124_2jnr 1 . 1 . 156 . 1 1 11 CYS O O -7.562 -0.571 -2.003 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . c15124_2jnr 1 . 1 . 157 . 1 1 11 CYS SG S -10.316 1.527 1.469 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . c15124_2jnr 1 . 1 . 158 . 1 1 12 PHE C C -5.092 -2.388 0.707 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . c15124_2jnr 1 . 1 . 159 . 1 1 12 PHE CA C -5.465 -1.596 -0.517 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . c15124_2jnr 1 . 1 . 160 . 1 1 12 PHE CB C -4.255 -0.913 -1.242 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . c15124_2jnr 1 . 1 . 161 . 1 1 12 PHE CD1 C -4.959 -0.894 -3.678 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 162 . 1 1 12 PHE CD2 C -5.047 1.183 -2.547 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 163 . 1 1 12 PHE CE1 C -5.424 -0.261 -4.853 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . c15124_2jnr 1 . 1 . 164 . 1 1 12 PHE CE2 C -5.429 1.860 -3.715 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . c15124_2jnr 1 . 1 . 165 . 1 1 12 PHE CG C -4.768 -0.194 -2.506 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . c15124_2jnr 1 . 1 . 166 . 1 1 12 PHE CZ C -5.716 1.068 -4.823 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . c15124_2jnr 1 . 1 . 167 . 1 1 12 PHE H H -6.139 -0.102 0.830 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . c15124_2jnr 1 . 1 . 168 . 1 1 12 PHE HA H -6.095 -2.183 -1.224 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . c15124_2jnr 1 . 1 . 169 . 1 1 12 PHE HB2 H -3.747 -0.166 -0.671 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 170 . 1 1 12 PHE HB3 H -3.429 -1.698 -1.465 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 171 . 1 1 12 PHE HD1 H -4.742 -1.960 -3.856 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . c15124_2jnr 1 . 1 . 172 . 1 1 12 PHE HD2 H -4.977 1.782 -1.527 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 173 . 1 1 12 PHE HE1 H -5.644 -0.764 -5.761 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . c15124_2jnr 1 . 1 . 174 . 1 1 12 PHE HE2 H -5.573 2.897 -3.767 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 175 . 1 1 12 PHE HZ H -6.221 1.548 -5.750 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . c15124_2jnr 1 . 1 . 176 . 1 1 12 PHE N N -6.380 -0.614 -0.037 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . c15124_2jnr 1 . 1 . 177 . 1 1 12 PHE O O -3.895 -2.497 0.901 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . c15124_2jnr 1 . 1 . 178 . 1 1 13 ALA C C -5.783 -3.176 3.965 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . c15124_2jnr 1 . 1 . 179 . 1 1 13 ALA CA C -5.750 -3.907 2.636 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . c15124_2jnr 1 . 1 . 180 . 1 1 13 ALA CB C -4.529 -4.808 2.431 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . c15124_2jnr 1 . 1 . 181 . 1 1 13 ALA H H -7.067 -2.878 1.177 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . c15124_2jnr 1 . 1 . 182 . 1 1 13 ALA HA H -6.591 -4.587 2.589 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . c15124_2jnr 1 . 1 . 183 . 1 1 13 ALA HB1 H -4.761 -5.728 3.008 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . c15124_2jnr 1 . 1 . 184 . 1 1 13 ALA HB2 H -4.461 -4.994 1.316 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 185 . 1 1 13 ALA HB3 H -3.628 -4.321 2.755 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 186 . 1 1 13 ALA N N -6.082 -3.030 1.397 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . c15124_2jnr 1 . 1 . 187 . 1 1 13 ALA O O -6.490 -3.566 4.832 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . c15124_2jnr 1 . 1 . 188 . 1 1 14 PHE C C -5.125 0.268 5.253 . . . 1.0 . . . . . . . . . . . . A . 14 PHE C . . . . . . . . . c15124_2jnr 1 . 1 . 189 . 1 1 14 PHE CA C -5.180 -1.288 5.441 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CA . . . . . . . . . c15124_2jnr 1 . 1 . 190 . 1 1 14 PHE CB C -4.169 -1.851 6.492 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CB . . . . . . . . . c15124_2jnr 1 . 1 . 191 . 1 1 14 PHE CD1 C -5.373 -3.892 7.222 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 192 . 1 1 14 PHE CD2 C -3.333 -4.236 6.043 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 193 . 1 1 14 PHE CE1 C -5.689 -5.244 7.215 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE1 . . . . . . . . . c15124_2jnr 1 . 1 . 194 . 1 1 14 PHE CE2 C -3.409 -5.603 6.293 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CE2 . . . . . . . . . c15124_2jnr 1 . 1 . 195 . 1 1 14 PHE CG C -4.269 -3.380 6.545 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CG . . . . . . . . . c15124_2jnr 1 . 1 . 196 . 1 1 14 PHE CZ C -4.689 -6.098 6.658 . . . 1.0 . . . . . . . . . . . . A . 14 PHE CZ . . . . . . . . . c15124_2jnr 1 . 1 . 197 . 1 1 14 PHE H H -4.615 -1.574 3.427 . . . 1.0 . . . . . . . . . . . . A . 14 PHE H . . . . . . . . . c15124_2jnr 1 . 1 . 198 . 1 1 14 PHE HA H -6.185 -1.345 6.008 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HA . . . . . . . . . c15124_2jnr 1 . 1 . 199 . 1 1 14 PHE HB2 H -3.110 -1.632 6.213 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 200 . 1 1 14 PHE HB3 H -4.235 -1.432 7.468 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 201 . 1 1 14 PHE HD1 H -5.907 -3.195 7.904 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD1 . . . . . . . . . c15124_2jnr 1 . 1 . 202 . 1 1 14 PHE HD2 H -2.470 -3.879 5.542 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 203 . 1 1 14 PHE HE1 H -6.635 -5.591 7.606 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE1 . . . . . . . . . c15124_2jnr 1 . 1 . 204 . 1 1 14 PHE HE2 H -2.575 -6.292 6.086 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 205 . 1 1 14 PHE HZ H -4.951 -7.141 6.514 . . . 1.0 . . . . . . . . . . . . A . 14 PHE HZ . . . . . . . . . c15124_2jnr 1 . 1 . 206 . 1 1 14 PHE N N -5.184 -1.978 4.127 . . . 1.0 . . . . . . . . . . . . A . 14 PHE N . . . . . . . . . c15124_2jnr 1 . 1 . 207 . 1 1 14 PHE O O -4.423 0.829 6.027 . . . 1.0 . . . . . . . . . . . . A . 14 PHE O . . . . . . . . . c15124_2jnr 1 . 1 . 208 . 1 1 15 ASN C C -7.147 2.749 4.800 . . . 1.0 . . . . . . . . . . . . A . 15 ASN C . . . . . . . . . c15124_2jnr 1 . 1 . 209 . 1 1 15 ASN CA C -5.835 2.349 4.158 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CA . . . . . . . . . c15124_2jnr 1 . 1 . 210 . 1 1 15 ASN CB C -5.850 2.821 2.717 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CB . . . . . . . . . c15124_2jnr 1 . 1 . 211 . 1 1 15 ASN CG C -4.602 2.351 2.077 . . . 1.0 . . . . . . . . . . . . A . 15 ASN CG . . . . . . . . . c15124_2jnr 1 . 1 . 212 . 1 1 15 ASN H H -6.278 0.437 3.595 . . . 1.0 . . . . . . . . . . . . A . 15 ASN H . . . . . . . . . c15124_2jnr 1 . 1 . 213 . 1 1 15 ASN HA H -5.049 2.864 4.749 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HA . . . . . . . . . c15124_2jnr 1 . 1 . 214 . 1 1 15 ASN HB2 H -6.791 2.526 2.224 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 215 . 1 1 15 ASN HB3 H -5.878 3.844 2.703 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 216 . 1 1 15 ASN HD21 H -3.496 3.836 3.051 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD21 . . . . . . . . . c15124_2jnr 1 . 1 . 217 . 1 1 15 ASN HD22 H -2.558 2.734 2.262 . . . 1.0 . . . . . . . . . . . . A . 15 ASN HD22 . . . . . . . . . c15124_2jnr 1 . 1 . 218 . 1 1 15 ASN N N -5.819 0.913 4.266 . . . 1.0 . . . . . . . . . . . . A . 15 ASN N . . . . . . . . . c15124_2jnr 1 . 1 . 219 . 1 1 15 ASN ND2 N -3.489 3.041 2.464 . . . 1.0 . . . . . . . . . . . . A . 15 ASN ND2 . . . . . . . . . c15124_2jnr 1 . 1 . 220 . 1 1 15 ASN O O -7.033 3.505 5.764 . . . 1.0 . . . . . . . . . . . . A . 15 ASN O . . . . . . . . . c15124_2jnr 1 . 1 . 221 . 1 1 15 ASN OD1 O -4.576 1.423 1.293 . . . 1.0 . . . . . . . . . . . . A . 15 ASN OD1 . . . . . . . . . c15124_2jnr 1 . 1 . 222 . 1 1 16 LYS C C -9.376 4.647 4.768 . . . 1.0 . . . . . . . . . . . . A . 16 LYS C . . . . . . . . . c15124_2jnr 1 . 1 . 223 . 1 1 16 LYS CA C -9.658 3.102 4.741 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CA . . . . . . . . . c15124_2jnr 1 . 1 . 224 . 1 1 16 LYS CB C -10.099 2.458 6.091 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CB . . . . . . . . . c15124_2jnr 1 . 1 . 225 . 1 1 16 LYS CD C -12.718 2.264 6.025 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CD . . . . . . . . . c15124_2jnr 1 . 1 . 226 . 1 1 16 LYS CE C -14.103 2.769 6.573 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CE . . . . . . . . . c15124_2jnr 1 . 1 . 227 . 1 1 16 LYS CG C -11.475 2.990 6.708 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CG . . . . . . . . . c15124_2jnr 1 . 1 . 228 . 1 1 16 LYS H H -8.480 1.794 3.545 . . . 1.0 . . . . . . . . . . . . A . 16 LYS H . . . . . . . . . c15124_2jnr 1 . 1 . 229 . 1 1 16 LYS HA H -10.539 2.986 4.071 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HA . . . . . . . . . c15124_2jnr 1 . 1 . 230 . 1 1 16 LYS HB2 H -10.098 1.305 6.023 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 231 . 1 1 16 LYS HB3 H -9.322 2.692 6.763 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 232 . 1 1 16 LYS HD2 H -12.707 2.380 4.920 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 233 . 1 1 16 LYS HD3 H -12.744 1.155 6.277 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HD3 . . . . . . . . . c15124_2jnr 1 . 1 . 234 . 1 1 16 LYS HE2 H -14.155 2.440 7.651 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 235 . 1 1 16 LYS HE3 H -14.220 3.809 6.527 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HE3 . . . . . . . . . c15124_2jnr 1 . 1 . 236 . 1 1 16 LYS HG2 H -11.570 2.788 7.782 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 237 . 1 1 16 LYS HG3 H -11.626 4.043 6.549 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 238 . 1 1 16 LYS HZ1 H -16.058 2.272 5.982 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ1 . . . . . . . . . c15124_2jnr 1 . 1 . 239 . 1 1 16 LYS HZ2 H -15.184 2.125 4.644 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ2 . . . . . . . . . c15124_2jnr 1 . 1 . 240 . 1 1 16 LYS HZ3 H -15.146 0.948 5.918 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ3 . . . . . . . . . c15124_2jnr 1 . 1 . 241 . 1 1 16 LYS N N -8.451 2.439 4.317 . . . 1.0 . . . . . . . . . . . . A . 16 LYS N . . . . . . . . . c15124_2jnr 1 . 1 . 242 . 1 1 16 LYS NZ N -15.106 2.022 5.815 . . . 1.0 . . . . . . . . . . . . A . 16 LYS NZ . . . . . . . . . c15124_2jnr 1 . 1 . 243 . 1 1 16 LYS O O -9.073 5.065 5.848 . . . 1.0 . . . . . . . . . . . . A . 16 LYS O . . . . . . . . . c15124_2jnr 1 . 1 . 244 . 1 1 17 PRO C C -8.754 7.683 4.769 . . . 1.0 . . . . . . . . . . . . A . 17 PRO C . . . . . . . . . c15124_2jnr 1 . 1 . 245 . 1 1 17 PRO CA C -8.459 6.644 3.732 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CA . . . . . . . . . c15124_2jnr 1 . 1 . 246 . 1 1 17 PRO CB C -8.807 7.196 2.304 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CB . . . . . . . . . c15124_2jnr 1 . 1 . 247 . 1 1 17 PRO CD C -9.542 4.872 2.313 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CD . . . . . . . . . c15124_2jnr 1 . 1 . 248 . 1 1 17 PRO CG C -8.993 5.963 1.378 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CG . . . . . . . . . c15124_2jnr 1 . 1 . 249 . 1 1 17 PRO HA H -7.409 6.287 3.679 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HA . . . . . . . . . c15124_2jnr 1 . 1 . 250 . 1 1 17 PRO HB2 H -9.791 7.641 2.495 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 251 . 1 1 17 PRO HB3 H -8.107 7.995 1.944 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 252 . 1 1 17 PRO HD2 H -10.595 5.027 2.248 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 253 . 1 1 17 PRO HD3 H -9.321 3.867 1.921 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HD3 . . . . . . . . . c15124_2jnr 1 . 1 . 254 . 1 1 17 PRO HG2 H -9.595 6.086 0.455 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 255 . 1 1 17 PRO HG3 H -8.012 5.694 0.983 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 256 . 1 1 17 PRO N N -9.227 5.369 3.623 . . . 1.0 . . . . . . . . . . . . A . 17 PRO N . . . . . . . . . c15124_2jnr 1 . 1 . 257 . 1 1 17 PRO O O -9.923 7.772 5.107 . . . 1.0 . . . . . . . . . . . . A . 17 PRO O . . . . . . . . . c15124_2jnr 1 . 1 . 258 . 1 1 18 PHE C C -7.175 10.578 5.935 . . . 1.0 . . . . . . . . . . . . A . 18 PHE C . . . . . . . . . c15124_2jnr 1 . 1 . 259 . 1 1 18 PHE CA C -8.290 9.606 6.092 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CA . . . . . . . . . c15124_2jnr 1 . 1 . 260 . 1 1 18 PHE CB C -8.267 9.162 7.584 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CB . . . . . . . . . c15124_2jnr 1 . 1 . 261 . 1 1 18 PHE CD1 C -10.700 8.426 7.727 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 262 . 1 1 18 PHE CD2 C -9.034 6.872 8.517 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 263 . 1 1 18 PHE CE1 C -11.669 7.408 7.732 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CE1 . . . . . . . . . c15124_2jnr 1 . 1 . 264 . 1 1 18 PHE CE2 C -10.006 5.925 8.574 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CE2 . . . . . . . . . c15124_2jnr 1 . 1 . 265 . 1 1 18 PHE CG C -9.370 8.080 7.903 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CG . . . . . . . . . c15124_2jnr 1 . 1 . 266 . 1 1 18 PHE CZ C -11.332 6.162 8.208 . . . 1.0 . . . . . . . . . . . . A . 18 PHE CZ . . . . . . . . . c15124_2jnr 1 . 1 . 267 . 1 1 18 PHE H H -6.850 8.313 5.170 . . . 1.0 . . . . . . . . . . . . A . 18 PHE H . . . . . . . . . c15124_2jnr 1 . 1 . 268 . 1 1 18 PHE HA H -9.287 9.992 5.975 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HA . . . . . . . . . c15124_2jnr 1 . 1 . 269 . 1 1 18 PHE HB2 H -7.317 8.560 7.867 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 270 . 1 1 18 PHE HB3 H -8.544 9.854 8.391 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 271 . 1 1 18 PHE HD1 H -11.074 9.457 7.575 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HD1 . . . . . . . . . c15124_2jnr 1 . 1 . 272 . 1 1 18 PHE HD2 H -8.043 6.599 8.896 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 273 . 1 1 18 PHE HE1 H -12.703 7.615 7.385 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HE1 . . . . . . . . . c15124_2jnr 1 . 1 . 274 . 1 1 18 PHE HE2 H -9.700 4.959 8.982 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 275 . 1 1 18 PHE HZ H -12.083 5.399 8.308 . . . 1.0 . . . . . . . . . . . . A . 18 PHE HZ . . . . . . . . . c15124_2jnr 1 . 1 . 276 . 1 1 18 PHE N N -7.811 8.521 5.261 . . . 1.0 . . . . . . . . . . . . A . 18 PHE N . . . . . . . . . c15124_2jnr 1 . 1 . 277 . 1 1 18 PHE O O -6.309 10.630 6.758 . . . 1.0 . . . . . . . . . . . . A . 18 PHE O . . . . . . . . . c15124_2jnr 1 . 1 . 278 . 1 1 19 VAL C C -7.734 11.590 2.366 . . . 1.0 . . . . . . . . . . . . A . 19 VAL C . . . . . . . . . c15124_2jnr 1 . 1 . 279 . 1 1 19 VAL CA C -8.238 11.312 3.776 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CA . . . . . . . . . c15124_2jnr 1 . 1 . 280 . 1 1 19 VAL CB C -9.129 12.585 3.955 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CB . . . . . . . . . c15124_2jnr 1 . 1 . 281 . 1 1 19 VAL CG1 C -10.397 12.508 3.094 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CG1 . . . . . . . . . c15124_2jnr 1 . 1 . 282 . 1 1 19 VAL CG2 C -9.662 12.815 5.461 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CG2 . . . . . . . . . c15124_2jnr 1 . 1 . 283 . 1 1 19 VAL H H -6.516 12.048 4.592 . . . 1.0 . . . . . . . . . . . . A . 19 VAL H . . . . . . . . . c15124_2jnr 1 . 1 . 284 . 1 1 19 VAL HA H -8.796 10.392 3.690 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HA . . . . . . . . . c15124_2jnr 1 . 1 . 285 . 1 1 19 VAL HB H -8.481 13.543 3.836 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HB . . . . . . . . . c15124_2jnr 1 . 1 . 286 . 1 1 19 VAL HG11 H -10.983 13.458 3.275 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG11 . . . . . . . . . c15124_2jnr 1 . 1 . 287 . 1 1 19 VAL HG12 H -10.282 12.514 2.033 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG12 . . . . . . . . . c15124_2jnr 1 . 1 . 288 . 1 1 19 VAL HG13 H -10.928 11.638 3.365 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG13 . . . . . . . . . c15124_2jnr 1 . 1 . 289 . 1 1 19 VAL HG21 H -10.289 13.659 5.567 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG21 . . . . . . . . . c15124_2jnr 1 . 1 . 290 . 1 1 19 VAL HG22 H -10.182 11.970 5.918 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG22 . . . . . . . . . c15124_2jnr 1 . 1 . 291 . 1 1 19 VAL HG23 H -8.826 12.969 6.112 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG23 . . . . . . . . . c15124_2jnr 1 . 1 . 292 . 1 1 19 VAL N N -7.202 11.380 4.808 . . . 1.0 . . . . . . . . . . . . A . 19 VAL N . . . . . . . . . c15124_2jnr 1 . 1 . 293 . 1 1 19 VAL O O -6.763 12.337 2.220 . . . 1.0 . . . . . . . . . . . . A . 19 VAL O . . . . . . . . . c15124_2jnr 1 . 1 . 294 . 1 1 20 PHE C C -8.866 10.538 -1.088 . . . 1.0 . . . . . . . . . . . . A . 20 PHE C . . . . . . . . . c15124_2jnr 1 . 1 . 295 . 1 1 20 PHE CA C -7.843 11.067 -0.014 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CA . . . . . . . . . c15124_2jnr 1 . 1 . 296 . 1 1 20 PHE CB C -6.612 10.181 -0.096 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CB . . . . . . . . . c15124_2jnr 1 . 1 . 297 . 1 1 20 PHE CD1 C -4.657 11.546 -1.096 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 298 . 1 1 20 PHE CD2 C -5.770 9.896 -2.486 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 299 . 1 1 20 PHE CE1 C -3.758 11.771 -2.131 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CE1 . . . . . . . . . c15124_2jnr 1 . 1 . 300 . 1 1 20 PHE CE2 C -4.923 10.283 -3.534 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CE2 . . . . . . . . . c15124_2jnr 1 . 1 . 301 . 1 1 20 PHE CG C -5.671 10.573 -1.267 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CG . . . . . . . . . c15124_2jnr 1 . 1 . 302 . 1 1 20 PHE CZ C -3.844 11.162 -3.367 . . . 1.0 . . . . . . . . . . . . A . 20 PHE CZ . . . . . . . . . c15124_2jnr 1 . 1 . 303 . 1 1 20 PHE H H -9.177 10.477 1.439 . . . 1.0 . . . . . . . . . . . . A . 20 PHE H . . . . . . . . . c15124_2jnr 1 . 1 . 304 . 1 1 20 PHE HXT H -9.484 8.893 -1.902 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HXT . . . . . . . . . c15124_2jnr 1 . 1 . 305 . 1 1 20 PHE HA H -7.502 12.114 -0.256 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HA . . . . . . . . . c15124_2jnr 1 . 1 . 306 . 1 1 20 PHE HB2 H -5.949 10.286 0.797 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 307 . 1 1 20 PHE HB3 H -6.972 9.179 -0.150 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 308 . 1 1 20 PHE HD1 H -4.567 12.081 -0.162 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HD1 . . . . . . . . . c15124_2jnr 1 . 1 . 309 . 1 1 20 PHE HD2 H -6.425 9.017 -2.553 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 310 . 1 1 20 PHE HE1 H -3.007 12.536 -2.007 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HE1 . . . . . . . . . c15124_2jnr 1 . 1 . 311 . 1 1 20 PHE HE2 H -5.024 9.865 -4.555 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 312 . 1 1 20 PHE HZ H -3.209 11.285 -4.204 . . . 1.0 . . . . . . . . . . . . A . 20 PHE HZ . . . . . . . . . c15124_2jnr 1 . 1 . 313 . 1 1 20 PHE N N -8.412 10.996 1.341 . . . 1.0 . . . . . . . . . . . . A . 20 PHE N . . . . . . . . . c15124_2jnr 1 . 1 . 314 . 1 1 20 PHE O O -9.627 11.260 -1.742 . . . 1.0 . . . . . . . . . . . . A . 20 PHE O . . . . . . . . . c15124_2jnr 1 . 1 . 315 . 1 1 20 PHE OXT O -8.938 9.250 -1.191 . . . 1.0 . . . . . . . . . . . . A . 20 PHE OXT . . . . . . . . . c15124_2jnr 1 . 1 . 316 . 2 2 1 ALA C C -0.012 -5.335 12.277 . . . 1.0 . . . . . . . . . . . . B . 101 ALA C . . . . . . . . . c15124_2jnr 1 . 1 . 317 . 2 2 1 ALA CA C 1.415 -4.804 12.301 . . . 1.0 . . . . . . . . . . . . B . 101 ALA CA . . . . . . . . . c15124_2jnr 1 . 1 . 318 . 2 2 1 ALA CB C 1.369 -3.370 11.633 . . . 1.0 . . . . . . . . . . . . B . 101 ALA CB . . . . . . . . . c15124_2jnr 1 . 1 . 319 . 2 2 1 ALA H1 H 2.224 -5.591 10.506 . . . 1.0 . . . . . . . . . . . . B . 101 ALA H1 . . . . . . . . . c15124_2jnr 1 . 1 . 320 . 2 2 1 ALA H2 H 2.466 -6.645 11.815 . . . 1.0 . . . . . . . . . . . . B . 101 ALA H2 . . . . . . . . . c15124_2jnr 1 . 1 . 321 . 2 2 1 ALA HA H 1.822 -4.800 13.424 . . . 1.0 . . . . . . . . . . . . B . 101 ALA HA . . . . . . . . . c15124_2jnr 1 . 1 . 322 . 2 2 1 ALA HB1 H 1.164 -3.325 10.584 . . . 1.0 . . . . . . . . . . . . B . 101 ALA HB1 . . . . . . . . . c15124_2jnr 1 . 1 . 323 . 2 2 1 ALA HB2 H 0.611 -2.873 12.276 . . . 1.0 . . . . . . . . . . . . B . 101 ALA HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 324 . 2 2 1 ALA HB3 H 2.282 -2.850 11.764 . . . 1.0 . . . . . . . . . . . . B . 101 ALA HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 325 . 2 2 1 ALA N N 2.120 -5.774 11.474 . . . 1.0 . . . . . . . . . . . . B . 101 ALA N . . . . . . . . . c15124_2jnr 1 . 1 . 326 . 2 2 1 ALA O O -0.316 -5.986 11.279 . . . 1.0 . . . . . . . . . . . . B . 101 ALA O . . . . . . . . . c15124_2jnr 1 . 1 . 327 . 2 2 2 VAL C C -2.800 -5.284 12.027 . . . 1.0 . . . . . . . . . . . . B . 102 VAL C . . . . . . . . . c15124_2jnr 1 . 1 . 328 . 2 2 2 VAL CA C -2.182 -5.731 13.291 . . . 1.0 . . . . . . . . . . . . B . 102 VAL CA . . . . . . . . . c15124_2jnr 1 . 1 . 329 . 2 2 2 VAL CB C -3.170 -5.518 14.487 . . . 1.0 . . . . . . . . . . . . B . 102 VAL CB . . . . . . . . . c15124_2jnr 1 . 1 . 330 . 2 2 2 VAL CG1 C -3.525 -4.057 14.751 . . . 1.0 . . . . . . . . . . . . B . 102 VAL CG1 . . . . . . . . . c15124_2jnr 1 . 1 . 331 . 2 2 2 VAL CG2 C -4.382 -6.458 14.363 . . . 1.0 . . . . . . . . . . . . B . 102 VAL CG2 . . . . . . . . . c15124_2jnr 1 . 1 . 332 . 2 2 2 VAL H H -0.485 -4.558 14.150 . . . 1.0 . . . . . . . . . . . . B . 102 VAL H . . . . . . . . . c15124_2jnr 1 . 1 . 333 . 2 2 2 VAL HA H -2.005 -6.819 13.192 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HA . . . . . . . . . c15124_2jnr 1 . 1 . 334 . 2 2 2 VAL HB H -2.690 -5.823 15.402 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HB . . . . . . . . . c15124_2jnr 1 . 1 . 335 . 2 2 2 VAL HG11 H -2.620 -3.509 14.952 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HG11 . . . . . . . . . c15124_2jnr 1 . 1 . 336 . 2 2 2 VAL HG12 H -4.011 -3.727 13.857 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HG12 . . . . . . . . . c15124_2jnr 1 . 1 . 337 . 2 2 2 VAL HG13 H -4.184 -3.955 15.596 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HG13 . . . . . . . . . c15124_2jnr 1 . 1 . 338 . 2 2 2 VAL HG21 H -5.234 -6.054 13.848 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HG21 . . . . . . . . . c15124_2jnr 1 . 1 . 339 . 2 2 2 VAL HG22 H -4.177 -7.415 13.898 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HG22 . . . . . . . . . c15124_2jnr 1 . 1 . 340 . 2 2 2 VAL HG23 H -4.804 -6.634 15.349 . . . 1.0 . . . . . . . . . . . . B . 102 VAL HG23 . . . . . . . . . c15124_2jnr 1 . 1 . 341 . 2 2 2 VAL N N -0.833 -5.121 13.312 . . . 1.0 . . . . . . . . . . . . B . 102 VAL N . . . . . . . . . c15124_2jnr 1 . 1 . 342 . 2 2 2 VAL O O -3.377 -5.990 11.261 . . . 1.0 . . . . . . . . . . . . B . 102 VAL O . . . . . . . . . c15124_2jnr 1 . 1 . 343 . 2 2 3 GLY C C -3.827 -1.839 10.854 . . . 1.0 . . . . . . . . . . . . B . 103 GLY C . . . . . . . . . c15124_2jnr 1 . 1 . 344 . 2 2 3 GLY CA C -3.498 -3.356 10.643 . . . 1.0 . . . . . . . . . . . . B . 103 GLY CA . . . . . . . . . c15124_2jnr 1 . 1 . 345 . 2 2 3 GLY H H -2.027 -3.530 12.309 . . . 1.0 . . . . . . . . . . . . B . 103 GLY H . . . . . . . . . c15124_2jnr 1 . 1 . 346 . 2 2 3 GLY HA2 H -2.792 -3.479 9.803 . . . 1.0 . . . . . . . . . . . . B . 103 GLY HA2 . . . . . . . . . c15124_2jnr 1 . 1 . 347 . 2 2 3 GLY HA3 H -4.430 -3.900 10.642 . . . 1.0 . . . . . . . . . . . . B . 103 GLY HA3 . . . . . . . . . c15124_2jnr 1 . 1 . 348 . 2 2 3 GLY N N -2.739 -4.022 11.738 . . . 1.0 . . . . . . . . . . . . B . 103 GLY N . . . . . . . . . c15124_2jnr 1 . 1 . 349 . 2 2 3 GLY O O -2.864 -1.086 10.946 . . . 1.0 . . . . . . . . . . . . B . 103 GLY O . . . . . . . . . c15124_2jnr 1 . 1 . 350 . 2 2 4 ILE C C -5.223 0.001 12.802 . . . 1.0 . . . . . . . . . . . . B . 104 ILE C . . . . . . . . . c15124_2jnr 1 . 1 . 351 . 2 2 4 ILE CA C -5.345 -0.009 11.316 . . . 1.0 . . . . . . . . . . . . B . 104 ILE CA . . . . . . . . . c15124_2jnr 1 . 1 . 352 . 2 2 4 ILE CB C -6.770 0.490 10.880 . . . 1.0 . . . . . . . . . . . . B . 104 ILE CB . . . . . . . . . c15124_2jnr 1 . 1 . 353 . 2 2 4 ILE CD1 C -6.310 1.266 8.500 . . . 1.0 . . . . . . . . . . . . B . 104 ILE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 354 . 2 2 4 ILE CG1 C -7.068 0.310 9.339 . . . 1.0 . . . . . . . . . . . . B . 104 ILE CG1 . . . . . . . . . c15124_2jnr 1 . 1 . 355 . 2 2 4 ILE CG2 C -6.906 1.914 11.398 . . . 1.0 . . . . . . . . . . . . B . 104 ILE CG2 . . . . . . . . . c15124_2jnr 1 . 1 . 356 . 2 2 4 ILE H H -5.874 -2.042 10.867 . . . 1.0 . . . . . . . . . . . . B . 104 ILE H . . . . . . . . . c15124_2jnr 1 . 1 . 357 . 2 2 4 ILE HA H -4.620 0.639 10.778 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HA . . . . . . . . . c15124_2jnr 1 . 1 . 358 . 2 2 4 ILE HB H -7.563 -0.105 11.352 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HB . . . . . . . . . c15124_2jnr 1 . 1 . 359 . 2 2 4 ILE HD11 H -6.685 1.044 7.474 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HD11 . . . . . . . . . c15124_2jnr 1 . 1 . 360 . 2 2 4 ILE HD12 H -6.374 2.342 8.711 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HD12 . . . . . . . . . c15124_2jnr 1 . 1 . 361 . 2 2 4 ILE HD13 H -5.290 0.943 8.500 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HD13 . . . . . . . . . c15124_2jnr 1 . 1 . 362 . 2 2 4 ILE HG12 H -6.943 -0.740 8.994 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HG12 . . . . . . . . . c15124_2jnr 1 . 1 . 363 . 2 2 4 ILE HG13 H -8.184 0.630 9.142 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HG13 . . . . . . . . . c15124_2jnr 1 . 1 . 364 . 2 2 4 ILE HG21 H -7.787 2.330 10.961 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HG21 . . . . . . . . . c15124_2jnr 1 . 1 . 365 . 2 2 4 ILE HG22 H -7.130 1.982 12.500 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HG22 . . . . . . . . . c15124_2jnr 1 . 1 . 366 . 2 2 4 ILE HG23 H -6.093 2.628 11.116 . . . 1.0 . . . . . . . . . . . . B . 104 ILE HG23 . . . . . . . . . c15124_2jnr 1 . 1 . 367 . 2 2 4 ILE N N -5.099 -1.387 10.901 . . . 1.0 . . . . . . . . . . . . B . 104 ILE N . . . . . . . . . c15124_2jnr 1 . 1 . 368 . 2 2 4 ILE O O -5.633 -0.931 13.515 . . . 1.0 . . . . . . . . . . . . B . 104 ILE O . . . . . . . . . c15124_2jnr 1 . 1 . 369 . 2 2 5 GLY C C -3.322 1.107 15.317 . . . 1.0 . . . . . . . . . . . . B . 105 GLY C . . . . . . . . . c15124_2jnr 1 . 1 . 370 . 2 2 5 GLY CA C -4.757 1.231 14.901 . . . 1.0 . . . . . . . . . . . . B . 105 GLY CA . . . . . . . . . c15124_2jnr 1 . 1 . 371 . 2 2 5 GLY H H -4.300 1.824 13.036 . . . 1.0 . . . . . . . . . . . . B . 105 GLY H . . . . . . . . . c15124_2jnr 1 . 1 . 372 . 2 2 5 GLY HA2 H -5.192 2.110 15.290 . . . 1.0 . . . . . . . . . . . . B . 105 GLY HA2 . . . . . . . . . c15124_2jnr 1 . 1 . 373 . 2 2 5 GLY HA3 H -5.270 0.475 15.468 . . . 1.0 . . . . . . . . . . . . B . 105 GLY HA3 . . . . . . . . . c15124_2jnr 1 . 1 . 374 . 2 2 5 GLY N N -4.804 1.105 13.442 . . . 1.0 . . . . . . . . . . . . B . 105 GLY N . . . . . . . . . c15124_2jnr 1 . 1 . 375 . 2 2 5 GLY O O -2.846 2.185 15.630 . . . 1.0 . . . . . . . . . . . . B . 105 GLY O . . . . . . . . . c15124_2jnr 1 . 1 . 376 . 2 2 6 ALA C C -0.729 0.922 14.314 . . . 1.0 . . . . . . . . . . . . B . 106 ALA C . . . . . . . . . c15124_2jnr 1 . 1 . 377 . 2 2 6 ALA CA C -1.271 -0.091 15.291 . . . 1.0 . . . . . . . . . . . . B . 106 ALA CA . . . . . . . . . c15124_2jnr 1 . 1 . 378 . 2 2 6 ALA CB C -0.552 -1.410 15.071 . . . 1.0 . . . . . . . . . . . . B . 106 ALA CB . . . . . . . . . c15124_2jnr 1 . 1 . 379 . 2 2 6 ALA H H -3.214 -0.820 14.716 . . . 1.0 . . . . . . . . . . . . B . 106 ALA H . . . . . . . . . c15124_2jnr 1 . 1 . 380 . 2 2 6 ALA HA H -1.021 0.243 16.288 . . . 1.0 . . . . . . . . . . . . B . 106 ALA HA . . . . . . . . . c15124_2jnr 1 . 1 . 381 . 2 2 6 ALA HB1 H -0.762 -1.872 14.122 . . . 1.0 . . . . . . . . . . . . B . 106 ALA HB1 . . . . . . . . . c15124_2jnr 1 . 1 . 382 . 2 2 6 ALA HB2 H 0.531 -1.156 15.053 . . . 1.0 . . . . . . . . . . . . B . 106 ALA HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 383 . 2 2 6 ALA HB3 H -0.795 -2.160 15.893 . . . 1.0 . . . . . . . . . . . . B . 106 ALA HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 384 . 2 2 6 ALA N N -2.666 -0.083 15.085 . . . 1.0 . . . . . . . . . . . . B . 106 ALA N . . . . . . . . . c15124_2jnr 1 . 1 . 385 . 2 2 6 ALA O O 0.122 1.733 14.666 . . . 1.0 . . . . . . . . . . . . B . 106 ALA O . . . . . . . . . c15124_2jnr 1 . 1 . 386 . 2 2 7 LEU C C -1.805 3.000 12.040 . . . 1.0 . . . . . . . . . . . . B . 107 LEU C . . . . . . . . . c15124_2jnr 1 . 1 . 387 . 2 2 7 LEU CA C -0.818 1.827 11.977 . . . 1.0 . . . . . . . . . . . . B . 107 LEU CA . . . . . . . . . c15124_2jnr 1 . 1 . 388 . 2 2 7 LEU CB C -0.956 1.376 10.501 . . . 1.0 . . . . . . . . . . . . B . 107 LEU CB . . . . . . . . . c15124_2jnr 1 . 1 . 389 . 2 2 7 LEU CD1 C -0.507 -0.471 8.736 . . . 1.0 . . . . . . . . . . . . B . 107 LEU CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 390 . 2 2 7 LEU CD2 C 1.462 0.321 10.223 . . . 1.0 . . . . . . . . . . . . B . 107 LEU CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 391 . 2 2 7 LEU CG C -0.127 0.033 10.167 . . . 1.0 . . . . . . . . . . . . B . 107 LEU CG . . . . . . . . . c15124_2jnr 1 . 1 . 392 . 2 2 7 LEU H H -1.768 0.096 12.751 . . . 1.0 . . . . . . . . . . . . B . 107 LEU H . . . . . . . . . c15124_2jnr 1 . 1 . 393 . 2 2 7 LEU HA H 0.223 2.166 12.215 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HA . . . . . . . . . c15124_2jnr 1 . 1 . 394 . 2 2 7 LEU HB2 H -1.987 1.141 10.105 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 395 . 2 2 7 LEU HB3 H -0.621 2.206 9.782 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 396 . 2 2 7 LEU HD11 H -0.099 0.250 7.980 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HD11 . . . . . . . . . c15124_2jnr 1 . 1 . 397 . 2 2 7 LEU HD12 H 0.019 -1.443 8.595 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HD12 . . . . . . . . . c15124_2jnr 1 . 1 . 398 . 2 2 7 LEU HD13 H -1.525 -0.607 8.500 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HD13 . . . . . . . . . c15124_2jnr 1 . 1 . 399 . 2 2 7 LEU HD21 H 1.956 0.750 9.325 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HD21 . . . . . . . . . c15124_2jnr 1 . 1 . 400 . 2 2 7 LEU HD22 H 1.751 1.007 11.093 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HD22 . . . . . . . . . c15124_2jnr 1 . 1 . 401 . 2 2 7 LEU HD23 H 1.939 -0.647 10.363 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HD23 . . . . . . . . . c15124_2jnr 1 . 1 . 402 . 2 2 7 LEU HG H -0.471 -0.691 10.881 . . . 1.0 . . . . . . . . . . . . B . 107 LEU HG . . . . . . . . . c15124_2jnr 1 . 1 . 403 . 2 2 7 LEU N N -1.176 0.858 13.046 . . . 1.0 . . . . . . . . . . . . B . 107 LEU N . . . . . . . . . c15124_2jnr 1 . 1 . 404 . 2 2 7 LEU O O -2.296 3.397 11.027 . . . 1.0 . . . . . . . . . . . . B . 107 LEU O . . . . . . . . . c15124_2jnr 1 . 1 . 405 . 2 2 8 PHE C C -3.297 5.423 11.982 . . . 1.0 . . . . . . . . . . . . B . 108 PHE C . . . . . . . . . c15124_2jnr 1 . 1 . 406 . 2 2 8 PHE CA C -2.677 4.923 13.329 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CA . . . . . . . . . c15124_2jnr 1 . 1 . 407 . 2 2 8 PHE CB C -1.631 5.905 13.871 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CB . . . . . . . . . c15124_2jnr 1 . 1 . 408 . 2 2 8 PHE CD1 C 0.041 4.596 15.305 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 409 . 2 2 8 PHE CD2 C -1.560 5.816 16.466 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 410 . 2 2 8 PHE CE1 C 0.603 4.234 16.577 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CE1 . . . . . . . . . c15124_2jnr 1 . 1 . 411 . 2 2 8 PHE CE2 C -0.983 5.660 17.764 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CE2 . . . . . . . . . c15124_2jnr 1 . 1 . 412 . 2 2 8 PHE CG C -1.047 5.445 15.222 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CG . . . . . . . . . c15124_2jnr 1 . 1 . 413 . 2 2 8 PHE CZ C 0.201 4.893 17.709 . . . 1.0 . . . . . . . . . . . . B . 108 PHE CZ . . . . . . . . . c15124_2jnr 1 . 1 . 414 . 2 2 8 PHE H H -1.745 3.217 14.090 . . . 1.0 . . . . . . . . . . . . B . 108 PHE H . . . . . . . . . c15124_2jnr 1 . 1 . 415 . 2 2 8 PHE HA H -3.466 4.914 14.061 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HA . . . . . . . . . c15124_2jnr 1 . 1 . 416 . 2 2 8 PHE HB2 H -0.697 5.953 13.202 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 417 . 2 2 8 PHE HB3 H -1.896 6.963 13.873 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 418 . 2 2 8 PHE HD1 H 0.417 4.203 14.351 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HD1 . . . . . . . . . c15124_2jnr 1 . 1 . 419 . 2 2 8 PHE HD2 H -2.546 6.301 16.509 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 420 . 2 2 8 PHE HE1 H 1.390 3.529 16.638 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HE1 . . . . . . . . . c15124_2jnr 1 . 1 . 421 . 2 2 8 PHE HE2 H -1.435 6.018 18.713 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 422 . 2 2 8 PHE HZ H 0.874 4.811 18.581 . . . 1.0 . . . . . . . . . . . . B . 108 PHE HZ . . . . . . . . . c15124_2jnr 1 . 1 . 423 . 2 2 8 PHE N N -2.065 3.591 13.230 . . . 1.0 . . . . . . . . . . . . B . 108 PHE N . . . . . . . . . c15124_2jnr 1 . 1 . 424 . 2 2 8 PHE O O -2.620 6.205 11.306 . . . 1.0 . . . . . . . . . . . . B . 108 PHE O . . . . . . . . . c15124_2jnr 1 . 1 . 425 . 2 2 9 LEU C C -4.933 4.803 9.363 . . . 1.0 . . . . . . . . . . . . B . 109 LEU C . . . . . . . . . c15124_2jnr 1 . 1 . 426 . 2 2 9 LEU CA C -5.359 5.550 10.613 . . . 1.0 . . . . . . . . . . . . B . 109 LEU CA . . . . . . . . . c15124_2jnr 1 . 1 . 427 . 2 2 9 LEU CB C -5.114 7.111 10.399 . . . 1.0 . . . . . . . . . . . . B . 109 LEU CB . . . . . . . . . c15124_2jnr 1 . 1 . 428 . 2 2 9 LEU CD1 C -7.073 8.071 11.793 . . . 1.0 . . . . . . . . . . . . B . 109 LEU CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 429 . 2 2 9 LEU CD2 C -4.674 8.227 12.773 . . . 1.0 . . . . . . . . . . . . B . 109 LEU CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 430 . 2 2 9 LEU CG C -5.590 8.179 11.469 . . . 1.0 . . . . . . . . . . . . B . 109 LEU CG . . . . . . . . . c15124_2jnr 1 . 1 . 431 . 2 2 9 LEU H H -5.143 4.584 12.476 . . . 1.0 . . . . . . . . . . . . B . 109 LEU H . . . . . . . . . c15124_2jnr 1 . 1 . 432 . 2 2 9 LEU HA H -6.486 5.442 10.721 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HA . . . . . . . . . c15124_2jnr 1 . 1 . 433 . 2 2 9 LEU HB2 H -4.153 7.455 9.940 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 434 . 2 2 9 LEU HB3 H -5.767 7.360 9.548 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 435 . 2 2 9 LEU HD11 H -7.271 7.119 12.330 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HD11 . . . . . . . . . c15124_2jnr 1 . 1 . 436 . 2 2 9 LEU HD12 H -7.565 8.928 12.468 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HD12 . . . . . . . . . c15124_2jnr 1 . 1 . 437 . 2 2 9 LEU HD13 H -7.656 8.049 10.909 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HD13 . . . . . . . . . c15124_2jnr 1 . 1 . 438 . 2 2 9 LEU HD21 H -4.641 7.184 13.210 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HD21 . . . . . . . . . c15124_2jnr 1 . 1 . 439 . 2 2 9 LEU HD22 H -3.565 8.505 12.558 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HD22 . . . . . . . . . c15124_2jnr 1 . 1 . 440 . 2 2 9 LEU HD23 H -5.079 8.815 13.578 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HD23 . . . . . . . . . c15124_2jnr 1 . 1 . 441 . 2 2 9 LEU HG H -5.389 9.192 11.057 . . . 1.0 . . . . . . . . . . . . B . 109 LEU HG . . . . . . . . . c15124_2jnr 1 . 1 . 442 . 2 2 9 LEU N N -4.623 5.112 11.800 . . . 1.0 . . . . . . . . . . . . B . 109 LEU N . . . . . . . . . c15124_2jnr 1 . 1 . 443 . 2 2 9 LEU O O -5.797 4.651 8.551 . . . 1.0 . . . . . . . . . . . . B . 109 LEU O . . . . . . . . . c15124_2jnr 1 . 1 . 444 . 2 2 10 GLY C C -3.654 4.933 6.833 . . . 1.0 . . . . . . . . . . . . B . 110 GLY C . . . . . . . . . c15124_2jnr 1 . 1 . 445 . 2 2 10 GLY CA C -3.505 3.792 7.720 . . . 1.0 . . . . . . . . . . . . B . 110 GLY CA . . . . . . . . . c15124_2jnr 1 . 1 . 446 . 2 2 10 GLY H H -2.837 4.487 9.589 . . . 1.0 . . . . . . . . . . . . B . 110 GLY H . . . . . . . . . c15124_2jnr 1 . 1 . 447 . 2 2 10 GLY HA2 H -2.481 3.459 7.672 . . . 1.0 . . . . . . . . . . . . B . 110 GLY HA2 . . . . . . . . . c15124_2jnr 1 . 1 . 448 . 2 2 10 GLY HA3 H -4.146 2.905 7.489 . . . 1.0 . . . . . . . . . . . . B . 110 GLY HA3 . . . . . . . . . c15124_2jnr 1 . 1 . 449 . 2 2 10 GLY N N -3.683 4.362 9.019 . . . 1.0 . . . . . . . . . . . . B . 110 GLY N . . . . . . . . . c15124_2jnr 1 . 1 . 450 . 2 2 10 GLY O O -4.546 4.894 6.011 . . . 1.0 . . . . . . . . . . . . B . 110 GLY O . . . . . . . . . c15124_2jnr 1 . 1 . 451 . 2 2 11 PHE C C -2.873 6.748 4.653 . . . 1.0 . . . . . . . . . . . . B . 111 PHE C . . . . . . . . . c15124_2jnr 1 . 1 . 452 . 2 2 11 PHE CA C -3.144 7.171 6.079 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CA . . . . . . . . . c15124_2jnr 1 . 1 . 453 . 2 2 11 PHE CB C -2.141 8.273 6.422 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CB . . . . . . . . . c15124_2jnr 1 . 1 . 454 . 2 2 11 PHE CD1 C -3.400 9.841 7.974 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 455 . 2 2 11 PHE CD2 C -1.544 8.510 8.811 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 456 . 2 2 11 PHE CE1 C -3.540 10.475 9.226 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CE1 . . . . . . . . . c15124_2jnr 1 . 1 . 457 . 2 2 11 PHE CE2 C -1.582 9.304 9.979 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CE2 . . . . . . . . . c15124_2jnr 1 . 1 . 458 . 2 2 11 PHE CG C -2.412 8.883 7.774 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CG . . . . . . . . . c15124_2jnr 1 . 1 . 459 . 2 2 11 PHE CZ C -2.513 10.329 10.152 . . . 1.0 . . . . . . . . . . . . B . 111 PHE CZ . . . . . . . . . c15124_2jnr 1 . 1 . 460 . 2 2 11 PHE H H -1.997 5.981 7.581 . . . 1.0 . . . . . . . . . . . . B . 111 PHE H . . . . . . . . . c15124_2jnr 1 . 1 . 461 . 2 2 11 PHE HA H -4.172 7.598 6.131 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HA . . . . . . . . . c15124_2jnr 1 . 1 . 462 . 2 2 11 PHE HB2 H -1.107 7.838 6.359 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 463 . 2 2 11 PHE HB3 H -2.180 9.059 5.680 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 464 . 2 2 11 PHE HD1 H -4.146 9.998 7.157 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HD1 . . . . . . . . . c15124_2jnr 1 . 1 . 465 . 2 2 11 PHE HD2 H -0.753 7.739 8.811 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 466 . 2 2 11 PHE HE1 H -4.402 11.026 9.464 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HE1 . . . . . . . . . c15124_2jnr 1 . 1 . 467 . 2 2 11 PHE HE2 H -0.885 8.964 10.759 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 468 . 2 2 11 PHE HZ H -2.592 11.057 10.954 . . . 1.0 . . . . . . . . . . . . B . 111 PHE HZ . . . . . . . . . c15124_2jnr 1 . 1 . 469 . 2 2 11 PHE N N -2.861 5.992 6.965 . . . 1.0 . . . . . . . . . . . . B . 111 PHE N . . . . . . . . . c15124_2jnr 1 . 1 . 470 . 2 2 11 PHE O O -1.788 6.267 4.452 . . . 1.0 . . . . . . . . . . . . B . 111 PHE O . . . . . . . . . c15124_2jnr 1 . 1 . 471 . 2 2 12 LEU C C -2.574 7.958 1.951 . . . 1.0 . . . . . . . . . . . . B . 112 LEU C . . . . . . . . . c15124_2jnr 1 . 1 . 472 . 2 2 12 LEU CA C -3.503 6.791 2.319 . . . 1.0 . . . . . . . . . . . . B . 112 LEU CA . . . . . . . . . c15124_2jnr 1 . 1 . 473 . 2 2 12 LEU CB C -4.713 6.795 1.255 . . . 1.0 . . . . . . . . . . . . B . 112 LEU CB . . . . . . . . . c15124_2jnr 1 . 1 . 474 . 2 2 12 LEU CD1 C -3.421 5.394 -0.404 . . . 1.0 . . . . . . . . . . . . B . 112 LEU CD1 . . . . . . . . . c15124_2jnr 1 . 1 . 475 . 2 2 12 LEU CD2 C -5.597 6.444 -1.114 . . . 1.0 . . . . . . . . . . . . B . 112 LEU CD2 . . . . . . . . . c15124_2jnr 1 . 1 . 476 . 2 2 12 LEU CG C -4.263 6.617 -0.252 . . . 1.0 . . . . . . . . . . . . B . 112 LEU CG . . . . . . . . . c15124_2jnr 1 . 1 . 477 . 2 2 12 LEU H H -4.856 7.211 3.973 . . . 1.0 . . . . . . . . . . . . B . 112 LEU H . . . . . . . . . c15124_2jnr 1 . 1 . 478 . 2 2 12 LEU HA H -2.942 5.828 2.201 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HA . . . . . . . . . c15124_2jnr 1 . 1 . 479 . 2 2 12 LEU HB2 H -5.251 5.848 1.558 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 480 . 2 2 12 LEU HB3 H -5.365 7.687 1.262 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 481 . 2 2 12 LEU HD11 H -3.901 4.489 0.033 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HD11 . . . . . . . . . c15124_2jnr 1 . 1 . 482 . 2 2 12 LEU HD12 H -3.475 5.122 -1.531 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HD12 . . . . . . . . . c15124_2jnr 1 . 1 . 483 . 2 2 12 LEU HD13 H -2.352 5.559 0.009 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HD13 . . . . . . . . . c15124_2jnr 1 . 1 . 484 . 2 2 12 LEU HD21 H -6.126 5.537 -0.833 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HD21 . . . . . . . . . c15124_2jnr 1 . 1 . 485 . 2 2 12 LEU HD22 H -6.313 7.234 -1.141 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HD22 . . . . . . . . . c15124_2jnr 1 . 1 . 486 . 2 2 12 LEU HD23 H -5.226 6.227 -2.183 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HD23 . . . . . . . . . c15124_2jnr 1 . 1 . 487 . 2 2 12 LEU HG H -3.677 7.452 -0.485 . . . 1.0 . . . . . . . . . . . . B . 112 LEU HG . . . . . . . . . c15124_2jnr 1 . 1 . 488 . 2 2 12 LEU N N -3.871 6.928 3.693 . . . 1.0 . . . . . . . . . . . . B . 112 LEU N . . . . . . . . . c15124_2jnr 1 . 1 . 489 . 2 2 12 LEU O O -3.138 9.000 1.661 . . . 1.0 . . . . . . . . . . . . B . 112 LEU O . . . . . . . . . c15124_2jnr 1 . 1 . 490 . 2 2 13 GLY C C 0.768 8.197 0.544 . . . 1.0 . . . . . . . . . . . . B . 113 GLY C . . . . . . . . . c15124_2jnr 1 . 1 . 491 . 2 2 13 GLY CA C -0.166 8.725 1.652 . . . 1.0 . . . . . . . . . . . . B . 113 GLY CA . . . . . . . . . c15124_2jnr 1 . 1 . 492 . 2 2 13 GLY H H -0.897 6.883 2.260 . . . 1.0 . . . . . . . . . . . . B . 113 GLY H . . . . . . . . . c15124_2jnr 1 . 1 . 493 . 2 2 13 GLY HA2 H -0.535 9.694 1.449 . . . 1.0 . . . . . . . . . . . . B . 113 GLY HA2 . . . . . . . . . c15124_2jnr 1 . 1 . 494 . 2 2 13 GLY HA3 H 0.487 8.795 2.560 . . . 1.0 . . . . . . . . . . . . B . 113 GLY HA3 . . . . . . . . . c15124_2jnr 1 . 1 . 495 . 2 2 13 GLY N N -1.269 7.749 1.885 . . . 1.0 . . . . . . . . . . . . B . 113 GLY N . . . . . . . . . c15124_2jnr 1 . 1 . 496 . 2 2 13 GLY O O 1.864 7.834 0.867 . . . 1.0 . . . . . . . . . . . . B . 113 GLY O . . . . . . . . . c15124_2jnr 1 . 1 . 497 . 2 2 14 ALA C C -0.993 8.504 -2.756 . . . 1.0 . . . . . . . . . . . . B . 114 ALA C . . . . . . . . . c15124_2jnr 1 . 1 . 498 . 2 2 14 ALA CA C -0.552 9.017 -1.401 . . . 1.0 . . . . . . . . . . . . B . 114 ALA CA . . . . . . . . . c15124_2jnr 1 . 1 . 499 . 2 2 14 ALA CB C 0.049 10.425 -1.591 . . . 1.0 . . . . . . . . . . . . B . 114 ALA CB . . . . . . . . . c15124_2jnr 1 . 1 . 500 . 2 2 14 ALA H H 1.228 7.737 -1.430 . . . 1.0 . . . . . . . . . . . . B . 114 ALA H . . . . . . . . . c15124_2jnr 1 . 1 . 501 . 2 2 14 ALA HA H -1.418 9.155 -0.742 . . . 1.0 . . . . . . . . . . . . B . 114 ALA HA . . . . . . . . . c15124_2jnr 1 . 1 . 502 . 2 2 14 ALA HB1 H -0.771 11.117 -1.908 . . . 1.0 . . . . . . . . . . . . B . 114 ALA HB1 . . . . . . . . . c15124_2jnr 1 . 1 . 503 . 2 2 14 ALA HB2 H 0.478 10.874 -0.648 . . . 1.0 . . . . . . . . . . . . B . 114 ALA HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 504 . 2 2 14 ALA HB3 H 0.684 10.338 -2.507 . . . 1.0 . . . . . . . . . . . . B . 114 ALA HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 505 . 2 2 14 ALA N N 0.513 8.190 -0.785 . . . 1.0 . . . . . . . . . . . . B . 114 ALA N . . . . . . . . . c15124_2jnr 1 . 1 . 506 . 2 2 14 ALA O O -1.188 9.252 -3.713 . . . 1.0 . . . . . . . . . . . . B . 114 ALA O . . . . . . . . . c15124_2jnr 1 . 1 . 507 . 2 2 15 ALA C C -1.896 4.975 -3.739 . . . 1.0 . . . . . . . . . . . . B . 115 ALA C . . . . . . . . . c15124_2jnr 1 . 1 . 508 . 2 2 15 ALA CA C -1.515 6.442 -3.912 . . . 1.0 . . . . . . . . . . . . B . 115 ALA CA . . . . . . . . . c15124_2jnr 1 . 1 . 509 . 2 2 15 ALA CB C -0.566 6.606 -5.137 . . . 1.0 . . . . . . . . . . . . B . 115 ALA CB . . . . . . . . . c15124_2jnr 1 . 1 . 510 . 2 2 15 ALA H H -0.924 6.633 -1.910 . . . 1.0 . . . . . . . . . . . . B . 115 ALA H . . . . . . . . . c15124_2jnr 1 . 1 . 511 . 2 2 15 ALA HA H -2.475 6.955 -4.181 . . . 1.0 . . . . . . . . . . . . B . 115 ALA HA . . . . . . . . . c15124_2jnr 1 . 1 . 512 . 2 2 15 ALA HB1 H 0.135 5.800 -4.907 . . . 1.0 . . . . . . . . . . . . B . 115 ALA HB1 . . . . . . . . . c15124_2jnr 1 . 1 . 513 . 2 2 15 ALA HB2 H -1.077 6.358 -6.066 . . . 1.0 . . . . . . . . . . . . B . 115 ALA HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 514 . 2 2 15 ALA HB3 H -0.104 7.607 -5.295 . . . 1.0 . . . . . . . . . . . . B . 115 ALA HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 515 . 2 2 15 ALA N N -1.071 7.162 -2.721 . . . 1.0 . . . . . . . . . . . . B . 115 ALA N . . . . . . . . . c15124_2jnr 1 . 1 . 516 . 2 2 15 ALA O O -2.889 4.646 -4.384 . . . 1.0 . . . . . . . . . . . . B . 115 ALA O . . . . . . . . . c15124_2jnr 1 . 1 . 517 . 2 2 16 GLY C C -0.977 1.737 -2.004 . . . 1.0 . . . . . . . . . . . . B . 116 GLY C . . . . . . . . . c15124_2jnr 1 . 1 . 518 . 2 2 16 GLY CA C -1.817 2.765 -2.836 . . . 1.0 . . . . . . . . . . . . B . 116 GLY CA . . . . . . . . . c15124_2jnr 1 . 1 . 519 . 2 2 16 GLY H H -0.297 4.224 -2.615 . . . 1.0 . . . . . . . . . . . . B . 116 GLY H . . . . . . . . . c15124_2jnr 1 . 1 . 520 . 2 2 16 GLY HA2 H -2.853 2.768 -2.432 . . . 1.0 . . . . . . . . . . . . B . 116 GLY HA2 . . . . . . . . . c15124_2jnr 1 . 1 . 521 . 2 2 16 GLY HA3 H -1.726 2.393 -3.885 . . . 1.0 . . . . . . . . . . . . B . 116 GLY HA3 . . . . . . . . . c15124_2jnr 1 . 1 . 522 . 2 2 16 GLY N N -1.200 4.116 -3.022 . . . 1.0 . . . . . . . . . . . . B . 116 GLY N . . . . . . . . . c15124_2jnr 1 . 1 . 523 . 2 2 16 GLY O O -0.126 1.119 -2.622 . . . 1.0 . . . . . . . . . . . . B . 116 GLY O . . . . . . . . . c15124_2jnr 1 . 1 . 524 . 2 2 17 SER C C -1.096 0.455 1.392 . . . 1.0 . . . . . . . . . . . . B . 117 SER C . . . . . . . . . c15124_2jnr 1 . 1 . 525 . 2 2 17 SER CA C -0.452 0.733 0.093 . . . 1.0 . . . . . . . . . . . . B . 117 SER CA . . . . . . . . . c15124_2jnr 1 . 1 . 526 . 2 2 17 SER CB C 1.071 1.027 0.228 . . . 1.0 . . . . . . . . . . . . B . 117 SER CB . . . . . . . . . c15124_2jnr 1 . 1 . 527 . 2 2 17 SER H H -1.974 2.262 -0.263 . . . 1.0 . . . . . . . . . . . . B . 117 SER H . . . . . . . . . c15124_2jnr 1 . 1 . 528 . 2 2 17 SER HA H -0.665 -0.195 -0.516 . . . 1.0 . . . . . . . . . . . . B . 117 SER HA . . . . . . . . . c15124_2jnr 1 . 1 . 529 . 2 2 17 SER HB2 H 1.677 0.089 0.302 . . . 1.0 . . . . . . . . . . . . B . 117 SER HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 530 . 2 2 17 SER HB3 H 1.432 1.660 -0.551 . . . 1.0 . . . . . . . . . . . . B . 117 SER HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 531 . 2 2 17 SER HG H 2.064 1.876 1.764 . . . 1.0 . . . . . . . . . . . . B . 117 SER HG . . . . . . . . . c15124_2jnr 1 . 1 . 532 . 2 2 17 SER N N -1.197 1.630 -0.663 . . . 1.0 . . . . . . . . . . . . B . 117 SER N . . . . . . . . . c15124_2jnr 1 . 1 . 533 . 2 2 17 SER O O -2.069 1.052 1.783 . . . 1.0 . . . . . . . . . . . . B . 117 SER O . . . . . . . . . c15124_2jnr 1 . 1 . 534 . 2 2 17 SER OG O 1.187 1.750 1.435 . . . 1.0 . . . . . . . . . . . . B . 117 SER OG . . . . . . . . . c15124_2jnr 1 . 1 . 535 . 2 2 18 THR C C -1.137 0.907 4.149 . . . 1.0 . . . . . . . . . . . . B . 118 THR C . . . . . . . . . c15124_2jnr 1 . 1 . 536 . 2 2 18 THR CA C -0.963 -0.496 3.554 . . . 1.0 . . . . . . . . . . . . B . 118 THR CA . . . . . . . . . c15124_2jnr 1 . 1 . 537 . 2 2 18 THR CB C -0.136 -1.262 4.595 . . . 1.0 . . . . . . . . . . . . B . 118 THR CB . . . . . . . . . c15124_2jnr 1 . 1 . 538 . 2 2 18 THR CG2 C 0.086 -2.741 4.067 . . . 1.0 . . . . . . . . . . . . B . 118 THR CG2 . . . . . . . . . c15124_2jnr 1 . 1 . 539 . 2 2 18 THR H H 0.298 -1.016 1.884 . . . 1.0 . . . . . . . . . . . . B . 118 THR H . . . . . . . . . c15124_2jnr 1 . 1 . 540 . 2 2 18 THR HA H -2.021 -0.935 3.615 . . . 1.0 . . . . . . . . . . . . B . 118 THR HA . . . . . . . . . c15124_2jnr 1 . 1 . 541 . 2 2 18 THR HB H -0.861 -1.279 5.475 . . . 1.0 . . . . . . . . . . . . B . 118 THR HB . . . . . . . . . c15124_2jnr 1 . 1 . 542 . 2 2 18 THR HG1 H 1.659 -1.230 5.548 . . . 1.0 . . . . . . . . . . . . B . 118 THR HG1 . . . . . . . . . c15124_2jnr 1 . 1 . 543 . 2 2 18 THR HG21 H 0.878 -2.750 3.294 . . . 1.0 . . . . . . . . . . . . B . 118 THR HG21 . . . . . . . . . c15124_2jnr 1 . 1 . 544 . 2 2 18 THR HG22 H 0.543 -3.286 4.946 . . . 1.0 . . . . . . . . . . . . B . 118 THR HG22 . . . . . . . . . c15124_2jnr 1 . 1 . 545 . 2 2 18 THR HG23 H -0.846 -3.268 3.705 . . . 1.0 . . . . . . . . . . . . B . 118 THR HG23 . . . . . . . . . c15124_2jnr 1 . 1 . 546 . 2 2 18 THR N N -0.437 -0.373 2.160 . . . 1.0 . . . . . . . . . . . . B . 118 THR N . . . . . . . . . c15124_2jnr 1 . 1 . 547 . 2 2 18 THR O O -2.226 1.202 4.584 . . . 1.0 . . . . . . . . . . . . B . 118 THR O . . . . . . . . . c15124_2jnr 1 . 1 . 548 . 2 2 18 THR OG1 O 1.140 -0.747 4.936 . . . 1.0 . . . . . . . . . . . . B . 118 THR OG1 . . . . . . . . . c15124_2jnr 1 . 1 . 549 . 2 2 19 MET C C 0.328 4.109 4.072 . . . 1.0 . . . . . . . . . . . . B . 119 MET C . . . . . . . . . c15124_2jnr 1 . 1 . 550 . 2 2 19 MET CA C -0.340 3.063 4.934 . . . 1.0 . . . . . . . . . . . . B . 119 MET CA . . . . . . . . . c15124_2jnr 1 . 1 . 551 . 2 2 19 MET CB C 0.130 3.220 6.393 . . . 1.0 . . . . . . . . . . . . B . 119 MET CB . . . . . . . . . c15124_2jnr 1 . 1 . 552 . 2 2 19 MET CE C 2.261 5.113 8.258 . . . 1.0 . . . . . . . . . . . . B . 119 MET CE . . . . . . . . . c15124_2jnr 1 . 1 . 553 . 2 2 19 MET CG C 1.677 2.927 6.553 . . . 1.0 . . . . . . . . . . . . B . 119 MET CG . . . . . . . . . c15124_2jnr 1 . 1 . 554 . 2 2 19 MET H H 0.844 1.557 4.005 . . . 1.0 . . . . . . . . . . . . B . 119 MET H . . . . . . . . . c15124_2jnr 1 . 1 . 555 . 2 2 19 MET HA H -1.425 3.282 4.941 . . . 1.0 . . . . . . . . . . . . B . 119 MET HA . . . . . . . . . c15124_2jnr 1 . 1 . 556 . 2 2 19 MET HB2 H -0.030 4.313 6.622 . . . 1.0 . . . . . . . . . . . . B . 119 MET HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 557 . 2 2 19 MET HB3 H -0.408 2.528 7.053 . . . 1.0 . . . . . . . . . . . . B . 119 MET HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 558 . 2 2 19 MET HE1 H 2.532 5.470 9.248 . . . 1.0 . . . . . . . . . . . . B . 119 MET HE1 . . . . . . . . . c15124_2jnr 1 . 1 . 559 . 2 2 19 MET HE2 H 2.937 5.454 7.487 . . . 1.0 . . . . . . . . . . . . B . 119 MET HE2 . . . . . . . . . c15124_2jnr 1 . 1 . 560 . 2 2 19 MET HE3 H 1.281 5.550 8.202 . . . 1.0 . . . . . . . . . . . . B . 119 MET HE3 . . . . . . . . . c15124_2jnr 1 . 1 . 561 . 2 2 19 MET HG2 H 1.824 1.767 6.390 . . . 1.0 . . . . . . . . . . . . B . 119 MET HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 562 . 2 2 19 MET HG3 H 2.283 3.465 5.900 . . . 1.0 . . . . . . . . . . . . B . 119 MET HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 563 . 2 2 19 MET N N -0.118 1.794 4.277 . . . 1.0 . . . . . . . . . . . . B . 119 MET N . . . . . . . . . c15124_2jnr 1 . 1 . 564 . 2 2 19 MET O O 0.811 5.078 4.592 . . . 1.0 . . . . . . . . . . . . B . 119 MET O . . . . . . . . . c15124_2jnr 1 . 1 . 565 . 2 2 19 MET SD S 2.351 3.307 8.200 . . . 1.0 . . . . . . . . . . . . B . 119 MET SD . . . . . . . . . c15124_2jnr 1 . 1 . 566 . 2 2 20 GLY C C 2.291 4.527 1.213 . . . 1.0 . . . . . . . . . . . . B . 120 GLY C . . . . . . . . . c15124_2jnr 1 . 1 . 567 . 2 2 20 GLY CA C 1.051 5.002 1.857 . . . 1.0 . . . . . . . . . . . . B . 120 GLY CA . . . . . . . . . c15124_2jnr 1 . 1 . 568 . 2 2 20 GLY H H 0.004 3.141 2.248 . . . 1.0 . . . . . . . . . . . . B . 120 GLY H . . . . . . . . . c15124_2jnr 1 . 1 . 569 . 2 2 20 GLY HA2 H 0.378 5.289 1.051 . . . 1.0 . . . . . . . . . . . . B . 120 GLY HA2 . . . . . . . . . c15124_2jnr 1 . 1 . 570 . 2 2 20 GLY HA3 H 1.290 5.956 2.399 . . . 1.0 . . . . . . . . . . . . B . 120 GLY HA3 . . . . . . . . . c15124_2jnr 1 . 1 . 571 . 2 2 20 GLY N N 0.390 3.971 2.708 . . . 1.0 . . . . . . . . . . . . B . 120 GLY N . . . . . . . . . c15124_2jnr 1 . 1 . 572 . 2 2 20 GLY O O 3.056 3.892 1.918 . . . 1.0 . . . . . . . . . . . . B . 120 GLY O . . . . . . . . . c15124_2jnr 1 . 1 . 573 . 2 2 21 ALA C C 4.739 5.672 -0.866 . . . 1.0 . . . . . . . . . . . . B . 121 ALA C . . . . . . . . . c15124_2jnr 1 . 1 . 574 . 2 2 21 ALA CA C 3.766 4.493 -0.776 . . . 1.0 . . . . . . . . . . . . B . 121 ALA CA . . . . . . . . . c15124_2jnr 1 . 1 . 575 . 2 2 21 ALA CB C 3.381 3.903 -2.189 . . . 1.0 . . . . . . . . . . . . B . 121 ALA CB . . . . . . . . . c15124_2jnr 1 . 1 . 576 . 2 2 21 ALA H H 2.025 5.639 -0.551 . . . 1.0 . . . . . . . . . . . . B . 121 ALA H . . . . . . . . . c15124_2jnr 1 . 1 . 577 . 2 2 21 ALA HA H 4.317 3.741 -0.278 . . . 1.0 . . . . . . . . . . . . B . 121 ALA HA . . . . . . . . . c15124_2jnr 1 . 1 . 578 . 2 2 21 ALA HB1 H 4.212 3.444 -2.840 . . . 1.0 . . . . . . . . . . . . B . 121 ALA HB1 . . . . . . . . . c15124_2jnr 1 . 1 . 579 . 2 2 21 ALA HB2 H 2.703 3.097 -2.018 . . . 1.0 . . . . . . . . . . . . B . 121 ALA HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 580 . 2 2 21 ALA HB3 H 2.934 4.777 -2.718 . . . 1.0 . . . . . . . . . . . . B . 121 ALA HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 581 . 2 2 21 ALA N N 2.593 4.933 -0.062 . . . 1.0 . . . . . . . . . . . . B . 121 ALA N . . . . . . . . . c15124_2jnr 1 . 1 . 582 . 2 2 21 ALA O O 4.296 6.780 -0.521 . . . 1.0 . . . . . . . . . . . . B . 121 ALA O . . . . . . . . . c15124_2jnr 1 . 1 . 583 . 2 2 22 ARG C C 6.044 7.502 -2.723 . . . 1.0 . . . . . . . . . . . . B . 122 ARG C . . . . . . . . . c15124_2jnr 1 . 1 . 584 . 2 2 22 ARG CA C 6.749 6.777 -1.673 . . . 1.0 . . . . . . . . . . . . B . 122 ARG CA . . . . . . . . . c15124_2jnr 1 . 1 . 585 . 2 2 22 ARG CB C 8.171 6.299 -2.215 . . . 1.0 . . . . . . . . . . . . B . 122 ARG CB . . . . . . . . . c15124_2jnr 1 . 1 . 586 . 2 2 22 ARG CD C 9.355 8.679 -2.362 . . . 1.0 . . . . . . . . . . . . B . 122 ARG CD . . . . . . . . . c15124_2jnr 1 . 1 . 587 . 2 2 22 ARG CG C 8.898 7.362 -3.095 . . . 1.0 . . . . . . . . . . . . B . 122 ARG CG . . . . . . . . . c15124_2jnr 1 . 1 . 588 . 2 2 22 ARG CZ C 9.717 10.380 -4.147 . . . 1.0 . . . . . . . . . . . . B . 122 ARG CZ . . . . . . . . . c15124_2jnr 1 . 1 . 589 . 2 2 22 ARG H H 6.245 4.606 -1.606 . . . 1.0 . . . . . . . . . . . . B . 122 ARG H . . . . . . . . . c15124_2jnr 1 . 1 . 590 . 2 2 22 ARG HA H 6.840 7.340 -0.781 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HA . . . . . . . . . c15124_2jnr 1 . 1 . 591 . 2 2 22 ARG HB2 H 8.753 6.018 -1.296 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 592 . 2 2 22 ARG HB3 H 8.146 5.406 -2.875 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 593 . 2 2 22 ARG HD2 H 8.452 9.187 -1.921 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HD2 . . . . . . . . . c15124_2jnr 1 . 1 . 594 . 2 2 22 ARG HD3 H 9.993 8.293 -1.523 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HD3 . . . . . . . . . c15124_2jnr 1 . 1 . 595 . 2 2 22 ARG HE H 11.172 9.358 -3.135 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HE . . . . . . . . . c15124_2jnr 1 . 1 . 596 . 2 2 22 ARG HG2 H 9.707 6.853 -3.560 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HG2 . . . . . . . . . c15124_2jnr 1 . 1 . 597 . 2 2 22 ARG HG3 H 8.273 7.619 -3.938 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HG3 . . . . . . . . . c15124_2jnr 1 . 1 . 598 . 2 2 22 ARG HH11 H 7.652 10.205 -3.598 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HH11 . . . . . . . . . c15124_2jnr 1 . 1 . 599 . 2 2 22 ARG HH12 H 8.036 11.299 -4.880 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HH12 . . . . . . . . . c15124_2jnr 1 . 1 . 600 . 2 2 22 ARG HH21 H 11.487 10.854 -4.954 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HH21 . . . . . . . . . c15124_2jnr 1 . 1 . 601 . 2 2 22 ARG HH22 H 10.102 11.510 -5.707 . . . 1.0 . . . . . . . . . . . . B . 122 ARG HH22 . . . . . . . . . c15124_2jnr 1 . 1 . 602 . 2 2 22 ARG N N 5.970 5.533 -1.392 . . . 1.0 . . . . . . . . . . . . B . 122 ARG N . . . . . . . . . c15124_2jnr 1 . 1 . 603 . 2 2 22 ARG NE N 10.183 9.533 -3.284 . . . 1.0 . . . . . . . . . . . . B . 122 ARG NE . . . . . . . . . c15124_2jnr 1 . 1 . 604 . 2 2 22 ARG NH1 N 8.418 10.640 -4.223 . . . 1.0 . . . . . . . . . . . . B . 122 ARG NH1 . . . . . . . . . c15124_2jnr 1 . 1 . 605 . 2 2 22 ARG NH2 N 10.511 10.990 -4.992 . . . 1.0 . . . . . . . . . . . . B . 122 ARG NH2 . . . . . . . . . c15124_2jnr 1 . 1 . 606 . 2 2 22 ARG O O 5.987 8.712 -2.589 . . . 1.0 . . . . . . . . . . . . B . 122 ARG O . . . . . . . . . c15124_2jnr 1 . 1 . 607 . 2 2 23 SER C C 5.207 8.672 -5.372 . . . 1.0 . . . . . . . . . . . . B . 123 SER C . . . . . . . . . c15124_2jnr 1 . 1 . 608 . 2 2 23 SER CA C 4.543 7.443 -4.722 . . . 1.0 . . . . . . . . . . . . B . 123 SER CA . . . . . . . . . c15124_2jnr 1 . 1 . 609 . 2 2 23 SER CB C 3.142 7.737 -4.074 . . . 1.0 . . . . . . . . . . . . B . 123 SER CB . . . . . . . . . c15124_2jnr 1 . 1 . 610 . 2 2 23 SER H H 5.576 5.883 -4.007 . . . 1.0 . . . . . . . . . . . . B . 123 SER H . . . . . . . . . c15124_2jnr 1 . 1 . 611 . 2 2 23 SER HXT H 6.806 9.250 -5.930 . . . 1.0 . . . . . . . . . . . . B . 123 SER HXT . . . . . . . . . c15124_2jnr 1 . 1 . 612 . 2 2 23 SER HA H 4.347 6.740 -5.553 . . . 1.0 . . . . . . . . . . . . B . 123 SER HA . . . . . . . . . c15124_2jnr 1 . 1 . 613 . 2 2 23 SER HB2 H 2.553 8.371 -4.773 . . . 1.0 . . . . . . . . . . . . B . 123 SER HB2 . . . . . . . . . c15124_2jnr 1 . 1 . 614 . 2 2 23 SER HB3 H 2.542 6.817 -3.844 . . . 1.0 . . . . . . . . . . . . B . 123 SER HB3 . . . . . . . . . c15124_2jnr 1 . 1 . 615 . 2 2 23 SER HG H 3.566 9.362 -2.984 . . . 1.0 . . . . . . . . . . . . B . 123 SER HG . . . . . . . . . c15124_2jnr 1 . 1 . 616 . 2 2 23 SER N N 5.481 6.818 -3.724 . . . 1.0 . . . . . . . . . . . . B . 123 SER N . . . . . . . . . c15124_2jnr 1 . 1 . 617 . 2 2 23 SER O O 4.514 9.547 -5.937 . . . 1.0 . . . . . . . . . . . . B . 123 SER O . . . . . . . . . c15124_2jnr 1 . 1 . 618 . 2 2 23 SER OXT O 6.494 8.695 -5.222 . . . 1.0 . . . . . . . . . . . . B . 123 SER OXT . . . . . . . . . c15124_2jnr 1 . 1 . 619 . 2 2 23 SER OG O 3.179 8.456 -2.836 . . . 1.0 . . . . . . . . . . . . B . 123 SER OG . . . . . . . . . c15124_2jnr 1 stop_ save_ save_constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Entry_ID c15124_2jnr _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2jnr.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c15124_2jnr 1 1 2jnr.mr . . DYANA/DIANA 2 distance NOE simple 17 c15124_2jnr 1 1 2jnr.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c15124_2jnr 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c15124_2jnr _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Potential_type upper-bound-parabolic _Gen_dist_constraint_list.Block_ID 2 _Gen_dist_constraint_list.Details 'Generated by Wattos' loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c15124_2jnr 1 stop_ loop_ _Gen_dist_constraint.Index_ID _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Weight _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 1 . . 2 2 6 6 ALA H H . . . 2 2 2 2 VAL HG11 H . . . . . . . 2.30 . 1.0 . . . . B 106 ALA H . . B 102 VAL MG1 . . . 6 ALA HN . . . . . 2 VAL QG1 . . c15124_2jnr 1 2 2 1 . . 2 2 2 2 VAL HG11 H . . . 2 2 6 6 ALA HB1 H . . . . . . . 1.95 . 1.0 . . . . B 102 VAL MG1 . . B 106 ALA MB . . . 2 VAL QG1 . . . . . 6 ALA QB . . c15124_2jnr 1 3 3 1 . . 2 2 6 6 ALA HB1 H . . . 2 2 3 3 GLY H H . . . . . . . 2.30 . 1.0 . . . . B 106 ALA MB . . B 103 GLY H . . . 6 ALA QB . . . . . 3 GLY HN . . c15124_2jnr 1 4 4 1 OR . 2 2 21 21 ALA HB1 H . . . 2 2 23 23 SER HB2 H . . . . . . . 1.95 . 1.0 . . . . B 121 ALA MB . . B 123 SER HB2 . . . 21 ALA QB . . . . . 23 SER QB . . c15124_2jnr 1 5 4 2 OR . 2 2 23 23 SER HB3 H . . . 2 2 21 21 ALA HB1 H . . . . . . . 1.95 . 1.0 . . . . B 123 SER HB3 . . B 121 ALA MB . . . 23 SER QB . . . . . 21 ALA QB . . c15124_2jnr 1 6 5 1 OR . 2 2 21 21 ALA HB1 H . . . 2 2 17 17 SER HB2 H . . . . . . . 2.00 . 1.0 . . . . B 121 ALA MB . . B 117 SER HB2 . . . 21 ALA QB . . . . . 17 SER QB . . c15124_2jnr 1 7 5 2 OR . 2 2 21 21 ALA HB1 H . . . 2 2 17 17 SER HB3 H . . . . . . . 2.00 . 1.0 . . . . B 121 ALA MB . . B 117 SER HB3 . . . 21 ALA QB . . . . . 17 SER QB . . c15124_2jnr 1 8 6 1 . . 2 2 3 3 GLY H H . . . 2 2 1 1 ALA HB1 H . . . . . . . 2.30 . 1.0 . . . . B 103 GLY H . . B 101 ALA MB . . . 3 GLY HN . . . . . 1 ALA QB . . c15124_2jnr 1 9 7 1 OR . 2 2 10 10 GLY HA2 H . . . 2 2 19 19 MET HB2 H . . . . . . . 2.00 . 1.0 . . . . B 110 GLY HA2 . . B 119 MET HB2 . . . 10 GLY QA . . . . . 19 MET QB . . c15124_2jnr 1 10 7 2 OR . 2 2 10 10 GLY HA3 H . . . 2 2 19 19 MET HB2 H . . . . . . . 2.00 . 1.0 . . . . B 110 GLY HA3 . . B 119 MET HB2 . . . 10 GLY QA . . . . . 19 MET QB . . c15124_2jnr 1 11 7 3 OR . 2 2 19 19 MET HB3 H . . . 2 2 10 10 GLY HA2 H . . . . . . . 2.00 . 1.0 . . . . B 119 MET HB3 . . B 110 GLY HA2 . . . 19 MET QB . . . . . 10 GLY QA . . c15124_2jnr 1 12 7 4 OR . 2 2 19 19 MET HB3 H . . . 2 2 10 10 GLY HA3 H . . . . . . . 2.00 . 1.0 . . . . B 119 MET HB3 . . B 110 GLY HA3 . . . 19 MET QB . . . . . 10 GLY QA . . c15124_2jnr 1 13 8 1 . . 2 2 21 21 ALA H H . . . 2 2 13 13 GLY H H . . . . . . . 2.00 . 1.0 . . . . B 121 ALA H . . B 113 GLY H . . . 21 ALA HN . . . . . 13 GLY HN . . c15124_2jnr 1 14 9 1 OR . 2 2 21 21 ALA HB1 H . . . 2 2 23 23 SER HB2 H . . . . . . . 1.55 . 1.0 . . . . B 121 ALA MB . . B 123 SER HB2 . . . 21 ALA QB . . . . . 23 SER QB . . c15124_2jnr 1 15 9 2 OR . 2 2 23 23 SER HB3 H . . . 2 2 21 21 ALA HB1 H . . . . . . . 1.55 . 1.0 . . . . B 123 SER HB3 . . B 121 ALA MB . . . 23 SER QB . . . . . 21 ALA QB . . c15124_2jnr 1 16 10 1 OR . 1 1 7 7 SER H H . . . 1 1 11 11 CYS HB2 H . . . . . . . 2.50 . 1.0 . . . . A 7 SER H . . A 11 CYS HB2 . . . 107 SER HN . . . . . 111 CYS QB . . c15124_2jnr 1 17 10 2 OR . 1 1 11 11 CYS HB3 H . . . 1 1 7 7 SER H H . . . . . . . 2.50 . 1.0 . . . . A 11 CYS HB3 . . A 7 SER H . . . 111 CYS QB . . . . . 107 SER HN . . c15124_2jnr 1 18 11 1 OR . 1 1 8 8 ILE H H . . . 1 1 6 6 CYS HB2 H . . . . . . . 2.70 . 1.0 . . . . A 8 ILE H . . A 6 CYS HB2 . . . 108 ILE HN . . . . . 106 CYS QB . . c15124_2jnr 1 19 11 2 OR . 1 1 6 6 CYS HB3 H . . . 1 1 8 8 ILE H H . . . . . . . 2.70 . 1.0 . . . . A 6 CYS HB3 . . A 8 ILE H . . . 106 CYS QB . . . . . 108 ILE HN . . c15124_2jnr 1 20 12 1 OR . 1 1 12 12 PHE H H . . . 1 1 15 15 ASN HB2 H . . . . . . . 2.70 . 1.0 . . . . A 12 PHE H . . A 15 ASN HB2 . . . 112 PHE HN . . . . . 115 ASN QB . . c15124_2jnr 1 21 12 2 OR . 1 1 15 15 ASN HB3 H . . . 1 1 12 12 PHE H H . . . . . . . 2.70 . 1.0 . . . . A 15 ASN HB3 . . A 12 PHE H . . . 115 ASN QB . . . . . 112 PHE HN . . c15124_2jnr 1 22 13 1 OR . 1 1 17 17 PRO HA H . . . 1 1 15 15 ASN HB2 H . . . . . . . 2.70 . 1.0 . . . . A 17 PRO HA . . A 15 ASN HB2 . . . 117 PRO HA . . . . . 115 ASN QB . . c15124_2jnr 1 23 13 2 OR . 1 1 15 15 ASN HB3 H . . . 1 1 17 17 PRO HA H . . . . . . . 2.70 . 1.0 . . . . A 15 ASN HB3 . . A 17 PRO HA . . . 115 ASN QB . . . . . 117 PRO HA . . c15124_2jnr 1 24 14 1 OR . 1 1 16 16 LYS H H . . . 1 1 11 11 CYS HB2 H . . . . . . . 2.70 . 1.0 . . . . A 16 LYS H . . A 11 CYS HB2 . . . 116 LYS HN . . . . . 111 CYS QB . . c15124_2jnr 1 25 14 2 OR . 1 1 11 11 CYS HB3 H . . . 1 1 16 16 LYS H H . . . . . . . 2.70 . 1.0 . . . . A 11 CYS HB3 . . A 16 LYS H . . . 111 CYS QB . . . . . 116 LYS HN . . c15124_2jnr 1 26 15 1 OR . 1 1 6 6 CYS HB3 H . . . 1 1 11 11 CYS HB2 H . . . . . . . 4.00 . 1.0 . . . . A 6 CYS HB3 . . A 11 CYS HB2 . . . 106 CYS QB . . . . . 111 CYS QB . . c15124_2jnr 1 27 15 2 OR . 1 1 6 6 CYS HB2 H . . . 1 1 11 11 CYS HB2 H . . . . . . . 4.00 . 1.0 . . . . A 6 CYS HB2 . . A 11 CYS HB2 . . . 106 CYS QB . . . . . 111 CYS QB . . c15124_2jnr 1 28 15 3 OR . 1 1 11 11 CYS HB3 H . . . 1 1 6 6 CYS HB2 H . . . . . . . 4.00 . 1.0 . . . . A 11 CYS HB3 . . A 6 CYS HB2 . . . 111 CYS QB . . . . . 106 CYS QB . . c15124_2jnr 1 29 15 4 OR . 1 1 11 11 CYS HB3 H . . . 1 1 6 6 CYS HB3 H . . . . . . . 4.00 . 1.0 . . . . A 11 CYS HB3 . . A 6 CYS HB3 . . . 111 CYS QB . . . . . 106 CYS QB . . c15124_2jnr 1 30 16 1 . . 2 2 11 11 PHE QD H . . . 1 1 19 19 VAL H H . . . . . . . 5.00 . 1.0 . . . . B 111 PHE QD . . A 19 VAL H . . . 11 PHE QD . . . . . 119 VAL HN . . c15124_2jnr 1 31 17 1 . . 2 2 12 12 LEU HD11 H . . . 1 1 12 12 PHE QD H . . . . . . . 5.00 . 1.0 . . . . B 112 LEU MD1 . . A 12 PHE QD . . . 12 LEU QD1 . . . . . 112 PHE QD . . c15124_2jnr 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Entry_ID c15124_2jnr _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER VIRUS/VIRAL PROTEIN 01-FEB-07 2JNR *TITLE DISCOVERY AND OPTIMIZATION OF A NATURAL HIV-1 ENTRY *TITLE 2 INHIBITOR TARGETING THE GP41 FUSION PEPTIDE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: VIR165; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 MOL_ID: 2; *COMPND 6 MOLECULE: ENV POLYPROTEIN; *COMPND 7 CHAIN: B; *COMPND 8 SYNONYM: FP1-23; *COMPND 9 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: VIR-165 IS A MODIFIED FORM OF THE VIRUS- *SOURCE 4 INHIBITORY PEPTIDE (VIRIP) WHICH NATURALLY OCCURS IN HUMAN *SOURCE 5 PLASMA.; *SOURCE 6 MOL_ID: 2; *SOURCE 7 SYNTHETIC: YES *KEYWDS PEPTIDE COMPLEX *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR J.MUNCH, L.STANDKER, K.ADERMANN, A.SCHULZ, S.POHLMANN, *AUTHOR 2 C.CHAIPAN, T.BIET, T.PETERS, B.MEYER, D.WILHELM, H.LU, *AUTHOR 3 W.JING, S.JIANG, W.FORSSMANN, F.KIRCHHOFF *REVDAT 1 08-MAY-07 2JNR 0' save_