data_5512 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5512 _Entry.Title ; Solution structure of chicken liver basic type fatty acid binding protein ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-09-02 _Entry.Accession_date 2002-09-03 _Entry.Last_release_date 2003-02-18 _Entry.Original_release_date 2003-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Francesca Vasile . . . 5512 2 Laura Ragona . . . 5512 3 Maddalena Catalano . . . 5512 4 Lucia Zetta . . . 5512 5 Henriette Molinari . . . 5512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5512 coupling_constants 1 5512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 565 5512 'coupling constants' 64 5512 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 . . 2003-02-18 2002-09-02 original author . 5512 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5512 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Letter to the Editor: Solution structure of chicken liver basic type fatty acid binding protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _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 157 _Citation.Page_last 160 _Citation.Year 2003 _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 Francesca Vasile . . . 5512 1 2 Laura Ragona . . . 5512 1 3 Maddalena Catalano . . . 5512 1 4 Lucia Zetta . . . 5512 1 5 Massimiliano Perduca . . . 5512 1 6 Hugo Monaco . . . 5512 1 7 Henriette Molinari . . . 5512 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Calycins 5512 1 'chicken liver basic FABP' 5512 1 'NMR structure' 5512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_chicken_Lb-FABP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_chicken_Lb-FABP _Assembly.Entry_ID 5512 _Assembly.ID 1 _Assembly.Name 'chicken liver basic fatty acid binding protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5512 1 stop_ 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 'chicken Lb-FABP' 1 $chicken_Lb-FABP . . . native . . . . . 5512 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'chicken liver basic fatty acid binding protein' system 5512 1 'chicken Lb-FABP' abbreviation 5512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_chicken_Lb-FABP _Entity.Sf_category entity _Entity.Sf_framecode chicken_Lb-FABP _Entity.Entry_ID 5512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chicken liver basic fatty acid binding protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AFSGTWQVYAQENYEEFLKA LALPEDLIKMARDIKPIVEI QQKGDDFVVTSKTPRQTVTN SFTLGKEADITTMDGKKLKC TVHLANGKLVTKSEKFSHEQ EVKGNEMVETITFGGVTLIR RSKRV ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15084 . cl-BABP . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 2 no BMRB 15854 . Gd(III)-chelate . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 3 no BMRB 16309 . holo_T91C . . . . . 100.00 125 99.20 99.20 8.02e-85 . . . . 5512 1 4 no BMRB 16310 . cL-BABP_T91C . . . . . 100.00 125 99.20 99.20 8.02e-85 . . . . 5512 1 5 no BMRB 16458 . cL-BABP . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 6 no BMRB 17767 . cl_BABP . . . . . 100.00 125 99.20 99.20 8.02e-85 . . . . 5512 1 7 no BMRB 6642 . cl-BABP . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 8 no PDB 1MVG . "Nmr Solution Structure Of Chicken Liver Basic Fatty Acid Binding Protein (Lb-Fabp)" . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 9 no PDB 1TVQ . "Crystal Structure Of Apo Chicken Liver Basic Fatty Acid Binding Protein (Or Bile Acid Binding Protein)" . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 10 no PDB 1TW4 . "Crystal Structure Of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid" . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 11 no PDB 1ZRY . "Nmr Structural Analysis Of Apo Chicken Liver Bile Acid Binding Protein" . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 12 no PDB 2JN3 . "Nmr Structure Of Cl-Babp Complexed To Chenodeoxycholic Acid" . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 13 no PDB 2K62 . "Nmr Solution Structure Of The Supramolecular Adduct Between A Liver Cytosolic Bile Acid Binding Protein And A Bile Acid-Based G" . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 14 no PDB 2LFO . "Nmr Structure Of Cl-BabpSS COMPLEXED WITH GLYCOCHENODEOXYCHOLIC AND Glycocholic Acids" . . . . . 100.00 125 99.20 99.20 8.02e-85 . . . . 5512 1 15 no GB AAK58094 . "liver basic fatty acid binding protein [Gallus gallus]" . . . . . 100.00 126 99.20 99.20 7.03e-85 . . . . 5512 1 16 no GB ADE59142 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 99.20 99.20 8.27e-85 . . . . 5512 1 17 no GB ADE59143 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.25e-85 . . . . 5512 1 18 no GB ADE59144 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.25e-85 . . . . 5512 1 19 no GB ADE59145 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.25e-85 . . . . 5512 1 20 no PRF 2106165A . "fatty acid-binding protein [Gallus gallus]" . . . . . 100.00 125 100.00 100.00 1.32e-85 . . . . 5512 1 21 no REF NP_989965 . "fatty acid-binding protein, liver [Gallus gallus]" . . . . . 100.00 126 99.20 99.20 7.03e-85 . . . . 5512 1 22 no SP P80226 . "RecName: Full=Fatty acid-binding protein, liver; AltName: Full=Fatty acid-binding protein 1; AltName: Full=Liver basic FABP; Sh" . . . . . 100.00 126 100.00 100.00 9.64e-86 . . . . 5512 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'chicken liver basic fatty acid binding protein' common 5512 1 'chicken Lb-FABP' abbreviation 5512 1 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 . ALA . 5512 1 2 . PHE . 5512 1 3 . SER . 5512 1 4 . GLY . 5512 1 5 . THR . 5512 1 6 . TRP . 5512 1 7 . GLN . 5512 1 8 . VAL . 5512 1 9 . TYR . 5512 1 10 . ALA . 5512 1 11 . GLN . 5512 1 12 . GLU . 5512 1 13 . ASN . 5512 1 14 . TYR . 5512 1 15 . GLU . 5512 1 16 . GLU . 5512 1 17 . PHE . 5512 1 18 . LEU . 5512 1 19 . LYS . 5512 1 20 . ALA . 5512 1 21 . LEU . 5512 1 22 . ALA . 5512 1 23 . LEU . 5512 1 24 . PRO . 5512 1 25 . GLU . 5512 1 26 . ASP . 5512 1 27 . LEU . 5512 1 28 . ILE . 5512 1 29 . LYS . 5512 1 30 . MET . 5512 1 31 . ALA . 5512 1 32 . ARG . 5512 1 33 . ASP . 5512 1 34 . ILE . 5512 1 35 . LYS . 5512 1 36 . PRO . 5512 1 37 . ILE . 5512 1 38 . VAL . 5512 1 39 . GLU . 5512 1 40 . ILE . 5512 1 41 . GLN . 5512 1 42 . GLN . 5512 1 43 . LYS . 5512 1 44 . GLY . 5512 1 45 . ASP . 5512 1 46 . ASP . 5512 1 47 . PHE . 5512 1 48 . VAL . 5512 1 49 . VAL . 5512 1 50 . THR . 5512 1 51 . SER . 5512 1 52 . LYS . 5512 1 53 . THR . 5512 1 54 . PRO . 5512 1 55 . ARG . 5512 1 56 . GLN . 5512 1 57 . THR . 5512 1 58 . VAL . 5512 1 59 . THR . 5512 1 60 . ASN . 5512 1 61 . SER . 5512 1 62 . PHE . 5512 1 63 . THR . 5512 1 64 . LEU . 5512 1 65 . GLY . 5512 1 66 . LYS . 5512 1 67 . GLU . 5512 1 68 . ALA . 5512 1 69 . ASP . 5512 1 70 . ILE . 5512 1 71 . THR . 5512 1 72 . THR . 5512 1 73 . MET . 5512 1 74 . ASP . 5512 1 75 . GLY . 5512 1 76 . LYS . 5512 1 77 . LYS . 5512 1 78 . LEU . 5512 1 79 . LYS . 5512 1 80 . CYS . 5512 1 81 . THR . 5512 1 82 . VAL . 5512 1 83 . HIS . 5512 1 84 . LEU . 5512 1 85 . ALA . 5512 1 86 . ASN . 5512 1 87 . GLY . 5512 1 88 . LYS . 5512 1 89 . LEU . 5512 1 90 . VAL . 5512 1 91 . THR . 5512 1 92 . LYS . 5512 1 93 . SER . 5512 1 94 . GLU . 5512 1 95 . LYS . 5512 1 96 . PHE . 5512 1 97 . SER . 5512 1 98 . HIS . 5512 1 99 . GLU . 5512 1 100 . GLN . 5512 1 101 . GLU . 5512 1 102 . VAL . 5512 1 103 . LYS . 5512 1 104 . GLY . 5512 1 105 . ASN . 5512 1 106 . GLU . 5512 1 107 . MET . 5512 1 108 . VAL . 5512 1 109 . GLU . 5512 1 110 . THR . 5512 1 111 . ILE . 5512 1 112 . THR . 5512 1 113 . PHE . 5512 1 114 . GLY . 5512 1 115 . GLY . 5512 1 116 . VAL . 5512 1 117 . THR . 5512 1 118 . LEU . 5512 1 119 . ILE . 5512 1 120 . ARG . 5512 1 121 . ARG . 5512 1 122 . SER . 5512 1 123 . LYS . 5512 1 124 . ARG . 5512 1 125 . VAL . 5512 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 . ALA 1 1 5512 1 . PHE 2 2 5512 1 . SER 3 3 5512 1 . GLY 4 4 5512 1 . THR 5 5 5512 1 . TRP 6 6 5512 1 . GLN 7 7 5512 1 . VAL 8 8 5512 1 . TYR 9 9 5512 1 . ALA 10 10 5512 1 . GLN 11 11 5512 1 . GLU 12 12 5512 1 . ASN 13 13 5512 1 . TYR 14 14 5512 1 . GLU 15 15 5512 1 . GLU 16 16 5512 1 . PHE 17 17 5512 1 . LEU 18 18 5512 1 . LYS 19 19 5512 1 . ALA 20 20 5512 1 . LEU 21 21 5512 1 . ALA 22 22 5512 1 . LEU 23 23 5512 1 . PRO 24 24 5512 1 . GLU 25 25 5512 1 . ASP 26 26 5512 1 . LEU 27 27 5512 1 . ILE 28 28 5512 1 . LYS 29 29 5512 1 . MET 30 30 5512 1 . ALA 31 31 5512 1 . ARG 32 32 5512 1 . ASP 33 33 5512 1 . ILE 34 34 5512 1 . LYS 35 35 5512 1 . PRO 36 36 5512 1 . ILE 37 37 5512 1 . VAL 38 38 5512 1 . GLU 39 39 5512 1 . ILE 40 40 5512 1 . GLN 41 41 5512 1 . GLN 42 42 5512 1 . LYS 43 43 5512 1 . GLY 44 44 5512 1 . ASP 45 45 5512 1 . ASP 46 46 5512 1 . PHE 47 47 5512 1 . VAL 48 48 5512 1 . VAL 49 49 5512 1 . THR 50 50 5512 1 . SER 51 51 5512 1 . LYS 52 52 5512 1 . THR 53 53 5512 1 . PRO 54 54 5512 1 . ARG 55 55 5512 1 . GLN 56 56 5512 1 . THR 57 57 5512 1 . VAL 58 58 5512 1 . THR 59 59 5512 1 . ASN 60 60 5512 1 . SER 61 61 5512 1 . PHE 62 62 5512 1 . THR 63 63 5512 1 . LEU 64 64 5512 1 . GLY 65 65 5512 1 . LYS 66 66 5512 1 . GLU 67 67 5512 1 . ALA 68 68 5512 1 . ASP 69 69 5512 1 . ILE 70 70 5512 1 . THR 71 71 5512 1 . THR 72 72 5512 1 . MET 73 73 5512 1 . ASP 74 74 5512 1 . GLY 75 75 5512 1 . LYS 76 76 5512 1 . LYS 77 77 5512 1 . LEU 78 78 5512 1 . LYS 79 79 5512 1 . CYS 80 80 5512 1 . THR 81 81 5512 1 . VAL 82 82 5512 1 . HIS 83 83 5512 1 . LEU 84 84 5512 1 . ALA 85 85 5512 1 . ASN 86 86 5512 1 . GLY 87 87 5512 1 . LYS 88 88 5512 1 . LEU 89 89 5512 1 . VAL 90 90 5512 1 . THR 91 91 5512 1 . LYS 92 92 5512 1 . SER 93 93 5512 1 . GLU 94 94 5512 1 . LYS 95 95 5512 1 . PHE 96 96 5512 1 . SER 97 97 5512 1 . HIS 98 98 5512 1 . GLU 99 99 5512 1 . GLN 100 100 5512 1 . GLU 101 101 5512 1 . VAL 102 102 5512 1 . LYS 103 103 5512 1 . GLY 104 104 5512 1 . ASN 105 105 5512 1 . GLU 106 106 5512 1 . MET 107 107 5512 1 . VAL 108 108 5512 1 . GLU 109 109 5512 1 . THR 110 110 5512 1 . ILE 111 111 5512 1 . THR 112 112 5512 1 . PHE 113 113 5512 1 . GLY 114 114 5512 1 . GLY 115 115 5512 1 . VAL 116 116 5512 1 . THR 117 117 5512 1 . LEU 118 118 5512 1 . ILE 119 119 5512 1 . ARG 120 120 5512 1 . ARG 121 121 5512 1 . SER 122 122 5512 1 . LYS 123 123 5512 1 . ARG 124 124 5512 1 . VAL 125 125 5512 1 stop_ save_ #################### # Natural source # #################### 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 5512 _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 $chicken_Lb-FABP . 9031 . . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 5512 1 stop_ save_ ######################### # Experimental source # ######################### 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 5512 _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 $chicken_Lb-FABP . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5512 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5512 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'chicken liver basic fatty acid binding protein' . . . 1 $chicken_Lb-FABP . . . 0.5 1.5 mM . . . . 5512 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5512 _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 pH 5.6 0.2 n/a 5512 1 temperature 310 0.5 K 5512 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5512 _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 NMR_spectrometer Bruker DMX . 500 . . . 5512 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5512 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5512 _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 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 internal cylindrical parallel . . . . . . 5512 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 1 $sample_1 . 5512 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_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.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.345 0.000 . 1 . . . . . . . . 5512 1 2 . 1 1 1 1 ALA HA H 1 4.248 0.000 . 1 . . . . . . . . 5512 1 3 . 1 1 1 1 ALA HB1 H 1 1.276 0.000 . 1 . . . . . . . . 5512 1 4 . 1 1 1 1 ALA HB2 H 1 1.276 0.000 . 1 . . . . . . . . 5512 1 5 . 1 1 1 1 ALA HB3 H 1 1.276 0.000 . 1 . . . . . . . . 5512 1 6 . 1 1 2 2 PHE H H 1 8.523 0.000 . 1 . . . . . . . . 5512 1 7 . 1 1 2 2 PHE HA H 1 4.318 0.000 . 1 . . . . . . . . 5512 1 8 . 1 1 2 2 PHE HB2 H 1 3.178 0.000 . 2 . . . . . . . . 5512 1 9 . 1 1 2 2 PHE HB3 H 1 3.029 0.000 . 2 . . . . . . . . 5512 1 10 . 1 1 2 2 PHE HZ H 1 7.328 0.000 . 1 . . . . . . . . 5512 1 11 . 1 1 2 2 PHE HD1 H 1 7.166 0.000 . 1 . . . . . . . . 5512 1 12 . 1 1 2 2 PHE HE1 H 1 7.051 0.001 . 1 . . . . . . . . 5512 1 13 . 1 1 3 3 SER H H 1 7.615 0.000 . 1 . . . . . . . . 5512 1 14 . 1 1 3 3 SER HA H 1 4.307 0.000 . 1 . . . . . . . . 5512 1 15 . 1 1 4 4 GLY H H 1 8.982 0.000 . 1 . . . . . . . . 5512 1 16 . 1 1 4 4 GLY HA2 H 1 4.064 0.000 . 2 . . . . . . . . 5512 1 17 . 1 1 4 4 GLY HA3 H 1 3.750 0.003 . 2 . . . . . . . . 5512 1 18 . 1 1 5 5 THR H H 1 8.239 0.000 . 1 . . . . . . . . 5512 1 19 . 1 1 5 5 THR HA H 1 4.782 0.002 . 1 . . . . . . . . 5512 1 20 . 1 1 5 5 THR HB H 1 3.806 0.005 . 1 . . . . . . . . 5512 1 21 . 1 1 6 6 TRP H H 1 9.448 0.000 . 1 . . . . . . . . 5512 1 22 . 1 1 6 6 TRP HA H 1 4.944 0.000 . 1 . . . . . . . . 5512 1 23 . 1 1 6 6 TRP HB2 H 1 3.177 0.003 . 2 . . . . . . . . 5512 1 24 . 1 1 6 6 TRP HB3 H 1 3.077 0.002 . 2 . . . . . . . . 5512 1 25 . 1 1 6 6 TRP HD1 H 1 7.012 0.000 . 1 . . . . . . . . 5512 1 26 . 1 1 6 6 TRP HE3 H 1 6.922 0.000 . 1 . . . . . . . . 5512 1 27 . 1 1 6 6 TRP HE1 H 1 9.504 0.000 . 1 . . . . . . . . 5512 1 28 . 1 1 6 6 TRP HZ3 H 1 6.646 0.000 . 1 . . . . . . . . 5512 1 29 . 1 1 6 6 TRP HZ2 H 1 7.257 0.000 . 1 . . . . . . . . 5512 1 30 . 1 1 6 6 TRP HH2 H 1 6.872 0.000 . 1 . . . . . . . . 5512 1 31 . 1 1 7 7 GLN H H 1 9.342 0.000 . 1 . . . . . . . . 5512 1 32 . 1 1 7 7 GLN HA H 1 4.842 0.002 . 1 . . . . . . . . 5512 1 33 . 1 1 7 7 GLN HG2 H 1 2.246 0.000 . 2 . . . . . . . . 5512 1 34 . 1 1 7 7 GLN HG3 H 1 1.974 0.000 . 2 . . . . . . . . 5512 1 35 . 1 1 7 7 GLN HE21 H 1 7.617 0.001 . 2 . . . . . . . . 5512 1 36 . 1 1 7 7 GLN HE22 H 1 6.452 0.000 . 2 . . . . . . . . 5512 1 37 . 1 1 8 8 VAL H H 1 8.213 0.000 . 1 . . . . . . . . 5512 1 38 . 1 1 8 8 VAL HA H 1 4.303 0.000 . 1 . . . . . . . . 5512 1 39 . 1 1 8 8 VAL HB H 1 2.083 0.000 . 1 . . . . . . . . 5512 1 40 . 1 1 9 9 TYR H H 1 9.387 0.000 . 1 . . . . . . . . 5512 1 41 . 1 1 9 9 TYR HA H 1 5.087 0.000 . 1 . . . . . . . . 5512 1 42 . 1 1 9 9 TYR HB2 H 1 3.357 0.000 . 2 . . . . . . . . 5512 1 43 . 1 1 9 9 TYR HB3 H 1 2.787 0.001 . 2 . . . . . . . . 5512 1 44 . 1 1 9 9 TYR HE1 H 1 6.720 0.001 . 1 . . . . . . . . 5512 1 45 . 1 1 9 9 TYR HD1 H 1 7.053 0.000 . 1 . . . . . . . . 5512 1 46 . 1 1 10 10 ALA H H 1 7.283 0.000 . 1 . . . . . . . . 5512 1 47 . 1 1 10 10 ALA HA H 1 4.661 0.000 . 1 . . . . . . . . 5512 1 48 . 1 1 10 10 ALA HB1 H 1 1.153 0.003 . 1 . . . . . . . . 5512 1 49 . 1 1 10 10 ALA HB2 H 1 1.153 0.003 . 1 . . . . . . . . 5512 1 50 . 1 1 10 10 ALA HB3 H 1 1.153 0.003 . 1 . . . . . . . . 5512 1 51 . 1 1 11 11 GLN H H 1 8.763 0.000 . 1 . . . . . . . . 5512 1 52 . 1 1 11 11 GLN HA H 1 4.992 0.000 . 1 . . . . . . . . 5512 1 53 . 1 1 11 11 GLN HB2 H 1 1.764 0.000 . 2 . . . . . . . . 5512 1 54 . 1 1 11 11 GLN HB3 H 1 1.692 0.000 . 2 . . . . . . . . 5512 1 55 . 1 1 11 11 GLN HG2 H 1 2.008 0.000 . 2 . . . . . . . . 5512 1 56 . 1 1 11 11 GLN HE21 H 1 7.137 0.000 . 2 . . . . . . . . 5512 1 57 . 1 1 12 12 GLU H H 1 9.183 0.001 . 1 . . . . . . . . 5512 1 58 . 1 1 12 12 GLU HA H 1 4.454 0.000 . 1 . . . . . . . . 5512 1 59 . 1 1 12 12 GLU HG2 H 1 2.236 0.000 . 2 . . . . . . . . 5512 1 60 . 1 1 12 12 GLU HG3 H 1 2.131 0.000 . 2 . . . . . . . . 5512 1 61 . 1 1 13 13 ASN H H 1 9.097 0.002 . 1 . . . . . . . . 5512 1 62 . 1 1 13 13 ASN HA H 1 4.676 0.001 . 1 . . . . . . . . 5512 1 63 . 1 1 13 13 ASN HB2 H 1 3.439 0.000 . 2 . . . . . . . . 5512 1 64 . 1 1 13 13 ASN HB3 H 1 3.141 0.001 . 2 . . . . . . . . 5512 1 65 . 1 1 13 13 ASN HD21 H 1 6.997 0.000 . 2 . . . . . . . . 5512 1 66 . 1 1 13 13 ASN HD22 H 1 7.638 0.000 . 2 . . . . . . . . 5512 1 67 . 1 1 14 14 TYR H H 1 7.813 0.000 . 1 . . . . . . . . 5512 1 68 . 1 1 14 14 TYR HA H 1 4.464 0.000 . 1 . . . . . . . . 5512 1 69 . 1 1 14 14 TYR HB2 H 1 3.051 0.000 . 2 . . . . . . . . 5512 1 70 . 1 1 14 14 TYR HB3 H 1 2.849 0.002 . 2 . . . . . . . . 5512 1 71 . 1 1 14 14 TYR HE1 H 1 6.770 0.000 . 1 . . . . . . . . 5512 1 72 . 1 1 14 14 TYR HD1 H 1 7.124 0.000 . 1 . . . . . . . . 5512 1 73 . 1 1 15 15 GLU H H 1 8.889 0.002 . 1 . . . . . . . . 5512 1 74 . 1 1 15 15 GLU HA H 1 3.558 0.002 . 1 . . . . . . . . 5512 1 75 . 1 1 15 15 GLU HG2 H 1 2.135 0.002 . 2 . . . . . . . . 5512 1 76 . 1 1 16 16 GLU H H 1 8.530 0.000 . 1 . . . . . . . . 5512 1 77 . 1 1 16 16 GLU HA H 1 3.847 0.000 . 1 . . . . . . . . 5512 1 78 . 1 1 16 16 GLU HG2 H 1 2.440 0.000 . 2 . . . . . . . . 5512 1 79 . 1 1 16 16 GLU HG3 H 1 2.329 0.000 . 2 . . . . . . . . 5512 1 80 . 1 1 17 17 PHE H H 1 8.147 0.000 . 1 . . . . . . . . 5512 1 81 . 1 1 17 17 PHE HA H 1 4.017 0.000 . 1 . . . . . . . . 5512 1 82 . 1 1 17 17 PHE HB2 H 1 3.407 0.001 . 2 . . . . . . . . 5512 1 83 . 1 1 17 17 PHE HB3 H 1 3.080 0.002 . 2 . . . . . . . . 5512 1 84 . 1 1 17 17 PHE HD1 H 1 7.050 0.002 . 1 . . . . . . . . 5512 1 85 . 1 1 17 17 PHE HE1 H 1 7.253 0.003 . 1 . . . . . . . . 5512 1 86 . 1 1 18 18 LEU H H 1 8.408 0.000 . 1 . . . . . . . . 5512 1 87 . 1 1 18 18 LEU HA H 1 3.684 0.000 . 1 . . . . . . . . 5512 1 88 . 1 1 18 18 LEU HG H 1 1.446 0.000 . 1 . . . . . . . . 5512 1 89 . 1 1 19 19 LYS H H 1 7.895 0.000 . 1 . . . . . . . . 5512 1 90 . 1 1 19 19 LYS HA H 1 3.936 0.002 . 1 . . . . . . . . 5512 1 91 . 1 1 19 19 LYS HG2 H 1 1.356 0.001 . 2 . . . . . . . . 5512 1 92 . 1 1 19 19 LYS HD2 H 1 1.595 0.001 . 2 . . . . . . . . 5512 1 93 . 1 1 19 19 LYS HE2 H 1 2.881 0.000 . 2 . . . . . . . . 5512 1 94 . 1 1 20 20 ALA H H 1 7.919 0.002 . 1 . . . . . . . . 5512 1 95 . 1 1 20 20 ALA HA H 1 4.140 0.000 . 1 . . . . . . . . 5512 1 96 . 1 1 20 20 ALA HB1 H 1 1.538 0.000 . 1 . . . . . . . . 5512 1 97 . 1 1 20 20 ALA HB2 H 1 1.538 0.000 . 1 . . . . . . . . 5512 1 98 . 1 1 20 20 ALA HB3 H 1 1.538 0.000 . 1 . . . . . . . . 5512 1 99 . 1 1 21 21 LEU H H 1 7.209 0.000 . 1 . . . . . . . . 5512 1 100 . 1 1 21 21 LEU HA H 1 3.710 0.000 . 1 . . . . . . . . 5512 1 101 . 1 1 21 21 LEU HB2 H 1 1.550 0.001 . 2 . . . . . . . . 5512 1 102 . 1 1 21 21 LEU HB3 H 1 1.187 0.001 . 2 . . . . . . . . 5512 1 103 . 1 1 21 21 LEU HG H 1 1.116 0.001 . 1 . . . . . . . . 5512 1 104 . 1 1 22 22 ALA H H 1 7.926 0.001 . 1 . . . . . . . . 5512 1 105 . 1 1 22 22 ALA HA H 1 3.916 0.000 . 1 . . . . . . . . 5512 1 106 . 1 1 22 22 ALA HB1 H 1 1.348 0.001 . 1 . . . . . . . . 5512 1 107 . 1 1 22 22 ALA HB2 H 1 1.348 0.001 . 1 . . . . . . . . 5512 1 108 . 1 1 22 22 ALA HB3 H 1 1.348 0.001 . 1 . . . . . . . . 5512 1 109 . 1 1 23 23 LEU H H 1 7.032 0.000 . 1 . . . . . . . . 5512 1 110 . 1 1 23 23 LEU HA H 1 4.397 0.001 . 1 . . . . . . . . 5512 1 111 . 1 1 23 23 LEU HG H 1 1.571 0.001 . 1 . . . . . . . . 5512 1 112 . 1 1 24 24 PRO HA H 1 4.424 0.000 . 1 . . . . . . . . 5512 1 113 . 1 1 24 24 PRO HG2 H 1 2.050 0.001 . 2 . . . . . . . . 5512 1 114 . 1 1 24 24 PRO HD2 H 1 3.907 0.000 . 2 . . . . . . . . 5512 1 115 . 1 1 24 24 PRO HD3 H 1 3.460 0.000 . 2 . . . . . . . . 5512 1 116 . 1 1 25 25 GLU H H 1 8.705 0.000 . 1 . . . . . . . . 5512 1 117 . 1 1 25 25 GLU HA H 1 3.774 0.000 . 1 . . . . . . . . 5512 1 118 . 1 1 25 25 GLU HB2 H 1 2.041 0.003 . 2 . . . . . . . . 5512 1 119 . 1 1 25 25 GLU HB3 H 1 1.964 0.002 . 2 . . . . . . . . 5512 1 120 . 1 1 25 25 GLU HG2 H 1 2.380 0.001 . 2 . . . . . . . . 5512 1 121 . 1 1 25 25 GLU HG3 H 1 2.260 0.000 . 2 . . . . . . . . 5512 1 122 . 1 1 26 26 ASP H H 1 8.800 0.000 . 1 . . . . . . . . 5512 1 123 . 1 1 26 26 ASP HA H 1 4.248 0.000 . 1 . . . . . . . . 5512 1 124 . 1 1 26 26 ASP HB2 H 1 2.619 0.001 . 2 . . . . . . . . 5512 1 125 . 1 1 26 26 ASP HB3 H 1 2.499 0.001 . 2 . . . . . . . . 5512 1 126 . 1 1 27 27 LEU H H 1 7.212 0.000 . 1 . . . . . . . . 5512 1 127 . 1 1 27 27 LEU HA H 1 4.188 0.000 . 1 . . . . . . . . 5512 1 128 . 1 1 27 27 LEU HG H 1 1.559 0.001 . 1 . . . . . . . . 5512 1 129 . 1 1 28 28 ILE H H 1 7.791 0.001 . 1 . . . . . . . . 5512 1 130 . 1 1 28 28 ILE HA H 1 3.325 0.001 . 1 . . . . . . . . 5512 1 131 . 1 1 28 28 ILE HB H 1 1.831 0.002 . 1 . . . . . . . . 5512 1 132 . 1 1 29 29 LYS H H 1 7.811 0.000 . 1 . . . . . . . . 5512 1 133 . 1 1 29 29 LYS HA H 1 3.789 0.001 . 1 . . . . . . . . 5512 1 134 . 1 1 29 29 LYS HG2 H 1 1.355 0.000 . 2 . . . . . . . . 5512 1 135 . 1 1 29 29 LYS HD2 H 1 1.627 0.000 . 2 . . . . . . . . 5512 1 136 . 1 1 29 29 LYS HD3 H 1 1.510 0.000 . 2 . . . . . . . . 5512 1 137 . 1 1 29 29 LYS HE2 H 1 2.914 0.000 . 2 . . . . . . . . 5512 1 138 . 1 1 30 30 MET H H 1 7.187 0.000 . 1 . . . . . . . . 5512 1 139 . 1 1 30 30 MET HA H 1 4.283 0.000 . 1 . . . . . . . . 5512 1 140 . 1 1 30 30 MET HG2 H 1 2.686 0.001 . 2 . . . . . . . . 5512 1 141 . 1 1 30 30 MET HG3 H 1 2.537 0.005 . 2 . . . . . . . . 5512 1 142 . 1 1 31 31 ALA H H 1 7.966 0.000 . 1 . . . . . . . . 5512 1 143 . 1 1 31 31 ALA HA H 1 4.250 0.000 . 1 . . . . . . . . 5512 1 144 . 1 1 31 31 ALA HB1 H 1 1.323 0.001 . 1 . . . . . . . . 5512 1 145 . 1 1 31 31 ALA HB2 H 1 1.323 0.001 . 1 . . . . . . . . 5512 1 146 . 1 1 31 31 ALA HB3 H 1 1.323 0.001 . 1 . . . . . . . . 5512 1 147 . 1 1 32 32 ARG H H 1 7.881 0.001 . 1 . . . . . . . . 5512 1 148 . 1 1 32 32 ARG HA H 1 3.992 0.000 . 1 . . . . . . . . 5512 1 149 . 1 1 32 32 ARG HB2 H 1 1.880 0.000 . 2 . . . . . . . . 5512 1 150 . 1 1 32 32 ARG HB3 H 1 1.719 0.000 . 2 . . . . . . . . 5512 1 151 . 1 1 32 32 ARG HG2 H 1 1.619 0.000 . 2 . . . . . . . . 5512 1 152 . 1 1 32 32 ARG HD2 H 1 3.142 0.000 . 2 . . . . . . . . 5512 1 153 . 1 1 32 32 ARG HD3 H 1 3.051 0.001 . 2 . . . . . . . . 5512 1 154 . 1 1 32 32 ARG HE H 1 7.516 0.000 . 1 . . . . . . . . 5512 1 155 . 1 1 33 33 ASP H H 1 7.900 0.000 . 1 . . . . . . . . 5512 1 156 . 1 1 33 33 ASP HA H 1 4.858 0.000 . 1 . . . . . . . . 5512 1 157 . 1 1 33 33 ASP HB2 H 1 2.876 0.002 . 2 . . . . . . . . 5512 1 158 . 1 1 33 33 ASP HB3 H 1 2.537 0.002 . 2 . . . . . . . . 5512 1 159 . 1 1 34 34 ILE H H 1 7.503 0.000 . 1 . . . . . . . . 5512 1 160 . 1 1 34 34 ILE HA H 1 4.103 0.000 . 1 . . . . . . . . 5512 1 161 . 1 1 34 34 ILE HB H 1 1.989 0.002 . 1 . . . . . . . . 5512 1 162 . 1 1 35 35 LYS H H 1 8.611 0.001 . 1 . . . . . . . . 5512 1 163 . 1 1 35 35 LYS HA H 1 4.628 0.000 . 1 . . . . . . . . 5512 1 164 . 1 1 35 35 LYS HG2 H 1 1.412 0.000 . 2 . . . . . . . . 5512 1 165 . 1 1 35 35 LYS HD2 H 1 1.557 0.000 . 2 . . . . . . . . 5512 1 166 . 1 1 35 35 LYS HE2 H 1 2.970 0.000 . 2 . . . . . . . . 5512 1 167 . 1 1 36 36 PRO HA H 1 4.541 0.000 . 1 . . . . . . . . 5512 1 168 . 1 1 36 36 PRO HG2 H 1 1.777 0.001 . 2 . . . . . . . . 5512 1 169 . 1 1 36 36 PRO HD2 H 1 3.238 0.003 . 2 . . . . . . . . 5512 1 170 . 1 1 36 36 PRO HD3 H 1 3.874 0.001 . 2 . . . . . . . . 5512 1 171 . 1 1 37 37 ILE H H 1 7.991 0.000 . 1 . . . . . . . . 5512 1 172 . 1 1 37 37 ILE HA H 1 4.851 0.000 . 1 . . . . . . . . 5512 1 173 . 1 1 37 37 ILE HB H 1 1.683 0.002 . 1 . . . . . . . . 5512 1 174 . 1 1 38 38 VAL H H 1 9.499 0.000 . 1 . . . . . . . . 5512 1 175 . 1 1 38 38 VAL HA H 1 5.032 0.000 . 1 . . . . . . . . 5512 1 176 . 1 1 38 38 VAL HB H 1 1.997 0.000 . 1 . . . . . . . . 5512 1 177 . 1 1 38 38 VAL HG11 H 1 0.801 0.001 . 1 . . . . . . . . 5512 1 178 . 1 1 38 38 VAL HG12 H 1 0.801 0.001 . 1 . . . . . . . . 5512 1 179 . 1 1 38 38 VAL HG13 H 1 0.801 0.001 . 1 . . . . . . . . 5512 1 180 . 1 1 38 38 VAL HG21 H 1 0.801 0.001 . 1 . . . . . . . . 5512 1 181 . 1 1 38 38 VAL HG22 H 1 0.801 0.001 . 1 . . . . . . . . 5512 1 182 . 1 1 38 38 VAL HG23 H 1 0.801 0.001 . 1 . . . . . . . . 5512 1 183 . 1 1 39 39 GLU H H 1 9.542 0.000 . 1 . . . . . . . . 5512 1 184 . 1 1 39 39 GLU HA H 1 5.381 0.000 . 1 . . . . . . . . 5512 1 185 . 1 1 39 39 GLU HB2 H 1 2.069 0.002 . 2 . . . . . . . . 5512 1 186 . 1 1 39 39 GLU HB3 H 1 1.964 0.004 . 2 . . . . . . . . 5512 1 187 . 1 1 39 39 GLU HG2 H 1 2.188 0.000 . 2 . . . . . . . . 5512 1 188 . 1 1 39 39 GLU HG3 H 1 2.153 0.001 . 2 . . . . . . . . 5512 1 189 . 1 1 40 40 ILE H H 1 9.500 0.000 . 1 . . . . . . . . 5512 1 190 . 1 1 40 40 ILE HA H 1 5.127 0.001 . 1 . . . . . . . . 5512 1 191 . 1 1 40 40 ILE HB H 1 2.437 0.002 . 1 . . . . . . . . 5512 1 192 . 1 1 40 40 ILE HG21 H 1 0.813 0.002 . 1 . . . . . . . . 5512 1 193 . 1 1 40 40 ILE HG22 H 1 0.813 0.002 . 1 . . . . . . . . 5512 1 194 . 1 1 40 40 ILE HG23 H 1 0.813 0.002 . 1 . . . . . . . . 5512 1 195 . 1 1 40 40 ILE HD11 H 1 0.767 0.001 . 1 . . . . . . . . 5512 1 196 . 1 1 40 40 ILE HD12 H 1 0.767 0.001 . 1 . . . . . . . . 5512 1 197 . 1 1 40 40 ILE HD13 H 1 0.767 0.001 . 1 . . . . . . . . 5512 1 198 . 1 1 41 41 GLN H H 1 9.126 0.000 . 1 . . . . . . . . 5512 1 199 . 1 1 41 41 GLN HA H 1 4.672 0.001 . 1 . . . . . . . . 5512 1 200 . 1 1 41 41 GLN HG2 H 1 2.224 0.000 . 2 . . . . . . . . 5512 1 201 . 1 1 41 41 GLN HG3 H 1 1.956 0.000 . 2 . . . . . . . . 5512 1 202 . 1 1 41 41 GLN HE21 H 1 6.678 0.000 . 2 . . . . . . . . 5512 1 203 . 1 1 41 41 GLN HE22 H 1 7.455 0.000 . 2 . . . . . . . . 5512 1 204 . 1 1 42 42 GLN H H 1 8.162 0.002 . 1 . . . . . . . . 5512 1 205 . 1 1 42 42 GLN HA H 1 4.424 0.000 . 1 . . . . . . . . 5512 1 206 . 1 1 42 42 GLN HG2 H 1 1.099 0.000 . 2 . . . . . . . . 5512 1 207 . 1 1 42 42 GLN HG3 H 1 0.984 0.000 . 2 . . . . . . . . 5512 1 208 . 1 1 42 42 GLN HE21 H 1 7.375 0.000 . 2 . . . . . . . . 5512 1 209 . 1 1 42 42 GLN HE22 H 1 6.609 0.000 . 2 . . . . . . . . 5512 1 210 . 1 1 43 43 LYS H H 1 8.661 0.002 . 1 . . . . . . . . 5512 1 211 . 1 1 43 43 LYS HA H 1 4.347 0.000 . 1 . . . . . . . . 5512 1 212 . 1 1 43 43 LYS HG2 H 1 1.230 0.000 . 2 . . . . . . . . 5512 1 213 . 1 1 43 43 LYS HD2 H 1 1.703 0.003 . 2 . . . . . . . . 5512 1 214 . 1 1 43 43 LYS HE2 H 1 2.872 0.000 . 2 . . . . . . . . 5512 1 215 . 1 1 44 44 GLY H H 1 8.798 0.000 . 1 . . . . . . . . 5512 1 216 . 1 1 44 44 GLY HA2 H 1 3.906 0.001 . 2 . . . . . . . . 5512 1 217 . 1 1 44 44 GLY HA3 H 1 3.530 0.000 . 2 . . . . . . . . 5512 1 218 . 1 1 45 45 ASP H H 1 8.724 0.000 . 1 . . . . . . . . 5512 1 219 . 1 1 45 45 ASP HA H 1 4.745 0.004 . 1 . . . . . . . . 5512 1 220 . 1 1 45 45 ASP HB2 H 1 3.026 0.000 . 2 . . . . . . . . 5512 1 221 . 1 1 45 45 ASP HB3 H 1 2.590 0.000 . 2 . . . . . . . . 5512 1 222 . 1 1 46 46 ASP H H 1 7.940 0.000 . 1 . . . . . . . . 5512 1 223 . 1 1 46 46 ASP HA H 1 5.206 0.003 . 1 . . . . . . . . 5512 1 224 . 1 1 46 46 ASP HB2 H 1 2.796 0.002 . 2 . . . . . . . . 5512 1 225 . 1 1 46 46 ASP HB3 H 1 2.614 0.001 . 2 . . . . . . . . 5512 1 226 . 1 1 47 47 PHE H H 1 9.147 0.001 . 1 . . . . . . . . 5512 1 227 . 1 1 47 47 PHE HA H 1 4.989 0.004 . 1 . . . . . . . . 5512 1 228 . 1 1 47 47 PHE HZ H 1 6.945 0.000 . 1 . . . . . . . . 5512 1 229 . 1 1 47 47 PHE HD1 H 1 6.736 0.000 . 1 . . . . . . . . 5512 1 230 . 1 1 47 47 PHE HE1 H 1 6.866 0.000 . 1 . . . . . . . . 5512 1 231 . 1 1 48 48 VAL H H 1 8.491 0.000 . 1 . . . . . . . . 5512 1 232 . 1 1 48 48 VAL HA H 1 4.425 0.000 . 1 . . . . . . . . 5512 1 233 . 1 1 48 48 VAL HB H 1 1.819 0.002 . 1 . . . . . . . . 5512 1 234 . 1 1 49 49 VAL H H 1 9.191 0.000 . 1 . . . . . . . . 5512 1 235 . 1 1 49 49 VAL HA H 1 4.961 0.001 . 1 . . . . . . . . 5512 1 236 . 1 1 49 49 VAL HB H 1 2.071 0.002 . 1 . . . . . . . . 5512 1 237 . 1 1 50 50 THR H H 1 9.652 0.000 . 1 . . . . . . . . 5512 1 238 . 1 1 50 50 THR HA H 1 5.342 0.000 . 1 . . . . . . . . 5512 1 239 . 1 1 50 50 THR HB H 1 4.039 0.002 . 1 . . . . . . . . 5512 1 240 . 1 1 51 51 SER H H 1 9.294 0.001 . 1 . . . . . . . . 5512 1 241 . 1 1 51 51 SER HA H 1 5.322 0.002 . 1 . . . . . . . . 5512 1 242 . 1 1 52 52 LYS H H 1 9.550 0.001 . 1 . . . . . . . . 5512 1 243 . 1 1 52 52 LYS HA H 1 5.095 0.000 . 1 . . . . . . . . 5512 1 244 . 1 1 52 52 LYS HB2 H 1 1.772 0.000 . 2 . . . . . . . . 5512 1 245 . 1 1 52 52 LYS HB3 H 1 1.729 0.000 . 2 . . . . . . . . 5512 1 246 . 1 1 52 52 LYS HG2 H 1 1.340 0.000 . 2 . . . . . . . . 5512 1 247 . 1 1 52 52 LYS HD2 H 1 1.565 0.002 . 2 . . . . . . . . 5512 1 248 . 1 1 52 52 LYS HE2 H 1 2.786 0.000 . 2 . . . . . . . . 5512 1 249 . 1 1 53 53 THR H H 1 8.411 0.001 . 1 . . . . . . . . 5512 1 250 . 1 1 53 53 THR HA H 1 4.925 0.003 . 1 . . . . . . . . 5512 1 251 . 1 1 53 53 THR HB H 1 4.561 0.004 . 1 . . . . . . . . 5512 1 252 . 1 1 54 54 PRO HA H 1 4.287 0.002 . 1 . . . . . . . . 5512 1 253 . 1 1 54 54 PRO HB2 H 1 2.411 0.004 . 2 . . . . . . . . 5512 1 254 . 1 1 54 54 PRO HB3 H 1 1.796 0.001 . 2 . . . . . . . . 5512 1 255 . 1 1 54 54 PRO HG2 H 1 2.136 0.001 . 2 . . . . . . . . 5512 1 256 . 1 1 54 54 PRO HG3 H 1 1.990 0.000 . 2 . . . . . . . . 5512 1 257 . 1 1 54 54 PRO HD2 H 1 3.909 0.001 . 2 . . . . . . . . 5512 1 258 . 1 1 54 54 PRO HD3 H 1 3.709 0.002 . 2 . . . . . . . . 5512 1 259 . 1 1 55 55 ARG H H 1 7.832 0.001 . 1 . . . . . . . . 5512 1 260 . 1 1 55 55 ARG HA H 1 4.359 0.000 . 1 . . . . . . . . 5512 1 261 . 1 1 55 55 ARG HG2 H 1 1.669 0.005 . 2 . . . . . . . . 5512 1 262 . 1 1 55 55 ARG HG3 H 1 1.553 0.000 . 2 . . . . . . . . 5512 1 263 . 1 1 55 55 ARG HD2 H 1 3.135 0.000 . 2 . . . . . . . . 5512 1 264 . 1 1 56 56 GLN H H 1 7.519 0.000 . 1 . . . . . . . . 5512 1 265 . 1 1 56 56 GLN HA H 1 4.632 0.000 . 1 . . . . . . . . 5512 1 266 . 1 1 56 56 GLN HG2 H 1 2.143 0.000 . 2 . . . . . . . . 5512 1 267 . 1 1 56 56 GLN HE21 H 1 6.791 0.000 . 2 . . . . . . . . 5512 1 268 . 1 1 56 56 GLN HE22 H 1 7.295 0.000 . 2 . . . . . . . . 5512 1 269 . 1 1 57 57 THR H H 1 8.661 0.002 . 1 . . . . . . . . 5512 1 270 . 1 1 57 57 THR HA H 1 5.177 0.000 . 1 . . . . . . . . 5512 1 271 . 1 1 57 57 THR HB H 1 3.932 0.001 . 1 . . . . . . . . 5512 1 272 . 1 1 58 58 VAL H H 1 8.775 0.000 . 1 . . . . . . . . 5512 1 273 . 1 1 58 58 VAL HA H 1 4.373 0.000 . 1 . . . . . . . . 5512 1 274 . 1 1 58 58 VAL HB H 1 1.931 0.001 . 1 . . . . . . . . 5512 1 275 . 1 1 59 59 THR H H 1 8.806 0.000 . 1 . . . . . . . . 5512 1 276 . 1 1 59 59 THR HA H 1 5.182 0.000 . 1 . . . . . . . . 5512 1 277 . 1 1 59 59 THR HB H 1 3.772 0.005 . 1 . . . . . . . . 5512 1 278 . 1 1 60 60 ASN H H 1 9.165 0.000 . 1 . . . . . . . . 5512 1 279 . 1 1 60 60 ASN HA H 1 5.264 0.007 . 1 . . . . . . . . 5512 1 280 . 1 1 60 60 ASN HB2 H 1 2.662 0.000 . 2 . . . . . . . . 5512 1 281 . 1 1 60 60 ASN HB3 H 1 2.535 0.001 . 2 . . . . . . . . 5512 1 282 . 1 1 60 60 ASN HD21 H 1 7.383 0.000 . 2 . . . . . . . . 5512 1 283 . 1 1 60 60 ASN HD22 H 1 7.858 0.002 . 2 . . . . . . . . 5512 1 284 . 1 1 61 61 SER H H 1 8.671 0.001 . 1 . . . . . . . . 5512 1 285 . 1 1 61 61 SER HA H 1 5.278 0.000 . 1 . . . . . . . . 5512 1 286 . 1 1 62 62 PHE H H 1 8.306 0.001 . 1 . . . . . . . . 5512 1 287 . 1 1 62 62 PHE HA H 1 4.980 0.000 . 1 . . . . . . . . 5512 1 288 . 1 1 62 62 PHE HZ H 1 6.398 0.000 . 1 . . . . . . . . 5512 1 289 . 1 1 62 62 PHE HD1 H 1 6.566 0.000 . 1 . . . . . . . . 5512 1 290 . 1 1 62 62 PHE HE1 H 1 6.514 0.000 . 1 . . . . . . . . 5512 1 291 . 1 1 63 63 THR H H 1 9.025 0.001 . 1 . . . . . . . . 5512 1 292 . 1 1 63 63 THR HA H 1 5.417 0.000 . 1 . . . . . . . . 5512 1 293 . 1 1 63 63 THR HB H 1 3.634 0.001 . 1 . . . . . . . . 5512 1 294 . 1 1 64 64 LEU H H 1 8.989 0.000 . 1 . . . . . . . . 5512 1 295 . 1 1 64 64 LEU HA H 1 3.973 0.001 . 1 . . . . . . . . 5512 1 296 . 1 1 64 64 LEU HG H 1 2.179 0.000 . 1 . . . . . . . . 5512 1 297 . 1 1 65 65 GLY H H 1 8.556 0.000 . 1 . . . . . . . . 5512 1 298 . 1 1 65 65 GLY HA2 H 1 4.226 0.000 . 2 . . . . . . . . 5512 1 299 . 1 1 65 65 GLY HA3 H 1 3.453 0.000 . 2 . . . . . . . . 5512 1 300 . 1 1 66 66 LYS H H 1 7.815 0.000 . 1 . . . . . . . . 5512 1 301 . 1 1 66 66 LYS HA H 1 4.747 0.000 . 1 . . . . . . . . 5512 1 302 . 1 1 66 66 LYS HB2 H 1 1.933 0.001 . 2 . . . . . . . . 5512 1 303 . 1 1 66 66 LYS HB3 H 1 1.834 0.000 . 2 . . . . . . . . 5512 1 304 . 1 1 66 66 LYS HG2 H 1 1.341 0.000 . 2 . . . . . . . . 5512 1 305 . 1 1 66 66 LYS HD2 H 1 1.677 0.000 . 2 . . . . . . . . 5512 1 306 . 1 1 66 66 LYS HE2 H 1 3.017 0.000 . 2 . . . . . . . . 5512 1 307 . 1 1 67 67 GLU H H 1 8.524 0.000 . 1 . . . . . . . . 5512 1 308 . 1 1 67 67 GLU HA H 1 4.286 0.000 . 1 . . . . . . . . 5512 1 309 . 1 1 67 67 GLU HG2 H 1 2.018 0.000 . 2 . . . . . . . . 5512 1 310 . 1 1 68 68 ALA H H 1 9.077 0.000 . 1 . . . . . . . . 5512 1 311 . 1 1 68 68 ALA HA H 1 4.762 0.000 . 1 . . . . . . . . 5512 1 312 . 1 1 68 68 ALA HB1 H 1 1.445 0.000 . 1 . . . . . . . . 5512 1 313 . 1 1 68 68 ALA HB2 H 1 1.445 0.000 . 1 . . . . . . . . 5512 1 314 . 1 1 68 68 ALA HB3 H 1 1.445 0.000 . 1 . . . . . . . . 5512 1 315 . 1 1 69 69 ASP H H 1 8.133 0.000 . 1 . . . . . . . . 5512 1 316 . 1 1 69 69 ASP HA H 1 5.056 0.000 . 1 . . . . . . . . 5512 1 317 . 1 1 69 69 ASP HB2 H 1 2.505 0.004 . 2 . . . . . . . . 5512 1 318 . 1 1 69 69 ASP HB3 H 1 2.457 0.006 . 2 . . . . . . . . 5512 1 319 . 1 1 70 70 ILE H H 1 8.892 0.000 . 1 . . . . . . . . 5512 1 320 . 1 1 70 70 ILE HA H 1 4.295 0.000 . 1 . . . . . . . . 5512 1 321 . 1 1 70 70 ILE HB H 1 1.651 0.000 . 1 . . . . . . . . 5512 1 322 . 1 1 71 71 THR H H 1 8.959 0.000 . 1 . . . . . . . . 5512 1 323 . 1 1 71 71 THR HA H 1 4.976 0.001 . 1 . . . . . . . . 5512 1 324 . 1 1 71 71 THR HB H 1 3.882 0.000 . 1 . . . . . . . . 5512 1 325 . 1 1 72 72 THR H H 1 8.837 0.000 . 1 . . . . . . . . 5512 1 326 . 1 1 72 72 THR HA H 1 4.332 0.000 . 1 . . . . . . . . 5512 1 327 . 1 1 72 72 THR HB H 1 4.289 0.000 . 1 . . . . . . . . 5512 1 328 . 1 1 73 73 MET H H 1 8.704 0.000 . 1 . . . . . . . . 5512 1 329 . 1 1 73 73 MET HA H 1 4.072 0.000 . 1 . . . . . . . . 5512 1 330 . 1 1 73 73 MET HB2 H 1 2.065 0.000 . 2 . . . . . . . . 5512 1 331 . 1 1 73 73 MET HB3 H 1 1.956 0.000 . 2 . . . . . . . . 5512 1 332 . 1 1 73 73 MET HG2 H 1 2.584 0.000 . 2 . . . . . . . . 5512 1 333 . 1 1 73 73 MET HG3 H 1 2.513 0.000 . 2 . . . . . . . . 5512 1 334 . 1 1 74 74 ASP H H 1 8.162 0.000 . 1 . . . . . . . . 5512 1 335 . 1 1 74 74 ASP HA H 1 4.415 0.000 . 1 . . . . . . . . 5512 1 336 . 1 1 74 74 ASP HB2 H 1 2.615 0.000 . 2 . . . . . . . . 5512 1 337 . 1 1 74 74 ASP HB3 H 1 2.365 0.000 . 2 . . . . . . . . 5512 1 338 . 1 1 75 75 GLY H H 1 7.975 0.000 . 1 . . . . . . . . 5512 1 339 . 1 1 75 75 GLY HA2 H 1 4.083 0.001 . 2 . . . . . . . . 5512 1 340 . 1 1 75 75 GLY HA3 H 1 3.476 0.002 . 2 . . . . . . . . 5512 1 341 . 1 1 76 76 LYS H H 1 7.337 0.000 . 1 . . . . . . . . 5512 1 342 . 1 1 76 76 LYS HA H 1 4.266 0.000 . 1 . . . . . . . . 5512 1 343 . 1 1 76 76 LYS HG2 H 1 1.080 0.000 . 2 . . . . . . . . 5512 1 344 . 1 1 76 76 LYS HD2 H 1 1.470 0.002 . 2 . . . . . . . . 5512 1 345 . 1 1 76 76 LYS HE2 H 1 2.759 0.000 . 2 . . . . . . . . 5512 1 346 . 1 1 77 77 LYS H H 1 7.932 0.000 . 1 . . . . . . . . 5512 1 347 . 1 1 77 77 LYS HA H 1 5.194 0.001 . 1 . . . . . . . . 5512 1 348 . 1 1 77 77 LYS HG2 H 1 1.327 0.001 . 2 . . . . . . . . 5512 1 349 . 1 1 78 78 LEU H H 1 8.969 0.000 . 1 . . . . . . . . 5512 1 350 . 1 1 78 78 LEU HA H 1 4.507 0.001 . 1 . . . . . . . . 5512 1 351 . 1 1 78 78 LEU HG H 1 1.166 0.000 . 1 . . . . . . . . 5512 1 352 . 1 1 79 79 LYS H H 1 7.986 0.000 . 1 . . . . . . . . 5512 1 353 . 1 1 79 79 LYS HA H 1 5.497 0.000 . 1 . . . . . . . . 5512 1 354 . 1 1 79 79 LYS HG2 H 1 1.329 0.003 . 2 . . . . . . . . 5512 1 355 . 1 1 79 79 LYS HD2 H 1 1.483 0.003 . 2 . . . . . . . . 5512 1 356 . 1 1 79 79 LYS HE2 H 1 2.869 0.000 . 2 . . . . . . . . 5512 1 357 . 1 1 80 80 CYS H H 1 8.619 0.001 . 1 . . . . . . . . 5512 1 358 . 1 1 80 80 CYS HA H 1 4.831 0.000 . 1 . . . . . . . . 5512 1 359 . 1 1 81 81 THR H H 1 8.663 0.000 . 1 . . . . . . . . 5512 1 360 . 1 1 81 81 THR HA H 1 4.477 0.001 . 1 . . . . . . . . 5512 1 361 . 1 1 81 81 THR HB H 1 3.990 0.000 . 1 . . . . . . . . 5512 1 362 . 1 1 82 82 VAL H H 1 8.525 0.001 . 1 . . . . . . . . 5512 1 363 . 1 1 82 82 VAL HA H 1 4.561 0.000 . 1 . . . . . . . . 5512 1 364 . 1 1 82 82 VAL HB H 1 1.683 0.003 . 1 . . . . . . . . 5512 1 365 . 1 1 83 83 HIS H H 1 8.635 0.001 . 1 . . . . . . . . 5512 1 366 . 1 1 83 83 HIS HA H 1 4.881 0.002 . 1 . . . . . . . . 5512 1 367 . 1 1 83 83 HIS HB2 H 1 3.087 0.000 . 2 . . . . . . . . 5512 1 368 . 1 1 83 83 HIS HB3 H 1 2.935 0.000 . 2 . . . . . . . . 5512 1 369 . 1 1 83 83 HIS HD2 H 1 7.005 0.001 . 1 . . . . . . . . 5512 1 370 . 1 1 83 83 HIS HE1 H 1 8.203 0.000 . 1 . . . . . . . . 5512 1 371 . 1 1 84 84 LEU H H 1 8.617 0.000 . 1 . . . . . . . . 5512 1 372 . 1 1 84 84 LEU HA H 1 5.207 0.000 . 1 . . . . . . . . 5512 1 373 . 1 1 84 84 LEU HB2 H 1 1.737 0.000 . 2 . . . . . . . . 5512 1 374 . 1 1 84 84 LEU HB3 H 1 1.402 0.000 . 2 . . . . . . . . 5512 1 375 . 1 1 84 84 LEU HG H 1 1.554 0.000 . 1 . . . . . . . . 5512 1 376 . 1 1 85 85 ALA H H 1 8.969 0.000 . 1 . . . . . . . . 5512 1 377 . 1 1 85 85 ALA HA H 1 4.642 0.000 . 1 . . . . . . . . 5512 1 378 . 1 1 85 85 ALA HB1 H 1 1.262 0.000 . 1 . . . . . . . . 5512 1 379 . 1 1 85 85 ALA HB2 H 1 1.262 0.000 . 1 . . . . . . . . 5512 1 380 . 1 1 85 85 ALA HB3 H 1 1.262 0.000 . 1 . . . . . . . . 5512 1 381 . 1 1 86 86 ASN H H 1 9.383 0.000 . 1 . . . . . . . . 5512 1 382 . 1 1 86 86 ASN HA H 1 4.326 0.000 . 1 . . . . . . . . 5512 1 383 . 1 1 86 86 ASN HB2 H 1 2.998 0.000 . 2 . . . . . . . . 5512 1 384 . 1 1 86 86 ASN HB3 H 1 2.698 0.001 . 2 . . . . . . . . 5512 1 385 . 1 1 86 86 ASN HD21 H 1 6.826 0.001 . 2 . . . . . . . . 5512 1 386 . 1 1 86 86 ASN HD22 H 1 7.503 0.000 . 2 . . . . . . . . 5512 1 387 . 1 1 87 87 GLY H H 1 8.484 0.000 . 1 . . . . . . . . 5512 1 388 . 1 1 87 87 GLY HA2 H 1 4.206 0.001 . 2 . . . . . . . . 5512 1 389 . 1 1 87 87 GLY HA3 H 1 3.611 0.001 . 2 . . . . . . . . 5512 1 390 . 1 1 88 88 LYS H H 1 7.760 0.000 . 1 . . . . . . . . 5512 1 391 . 1 1 88 88 LYS HA H 1 4.980 0.000 . 1 . . . . . . . . 5512 1 392 . 1 1 88 88 LYS HG2 H 1 1.330 0.007 . 2 . . . . . . . . 5512 1 393 . 1 1 88 88 LYS HG3 H 1 1.168 0.005 . 2 . . . . . . . . 5512 1 394 . 1 1 88 88 LYS HD2 H 1 1.524 0.007 . 2 . . . . . . . . 5512 1 395 . 1 1 88 88 LYS HE2 H 1 2.829 0.000 . 2 . . . . . . . . 5512 1 396 . 1 1 89 89 LEU H H 1 8.486 0.001 . 1 . . . . . . . . 5512 1 397 . 1 1 89 89 LEU HA H 1 4.528 0.000 . 1 . . . . . . . . 5512 1 398 . 1 1 89 89 LEU HG H 1 0.725 0.000 . 1 . . . . . . . . 5512 1 399 . 1 1 90 90 VAL H H 1 8.762 0.000 . 1 . . . . . . . . 5512 1 400 . 1 1 90 90 VAL HA H 1 4.818 0.002 . 1 . . . . . . . . 5512 1 401 . 1 1 90 90 VAL HB H 1 1.581 0.001 . 1 . . . . . . . . 5512 1 402 . 1 1 91 91 THR H H 1 8.418 0.000 . 1 . . . . . . . . 5512 1 403 . 1 1 91 91 THR HA H 1 4.893 0.002 . 1 . . . . . . . . 5512 1 404 . 1 1 91 91 THR HB H 1 4.277 0.000 . 1 . . . . . . . . 5512 1 405 . 1 1 92 92 LYS H H 1 9.071 0.001 . 1 . . . . . . . . 5512 1 406 . 1 1 92 92 LYS HA H 1 5.186 0.001 . 1 . . . . . . . . 5512 1 407 . 1 1 92 92 LYS HB2 H 1 1.857 0.003 . 2 . . . . . . . . 5512 1 408 . 1 1 92 92 LYS HB3 H 1 1.729 0.005 . 2 . . . . . . . . 5512 1 409 . 1 1 92 92 LYS HG2 H 1 1.391 0.004 . 2 . . . . . . . . 5512 1 410 . 1 1 92 92 LYS HD2 H 1 1.618 0.000 . 2 . . . . . . . . 5512 1 411 . 1 1 92 92 LYS HE2 H 1 2.862 0.000 . 2 . . . . . . . . 5512 1 412 . 1 1 93 93 SER H H 1 9.133 0.000 . 1 . . . . . . . . 5512 1 413 . 1 1 93 93 SER HA H 1 4.881 0.000 . 1 . . . . . . . . 5512 1 414 . 1 1 93 93 SER HB2 H 1 4.272 0.000 . 2 . . . . . . . . 5512 1 415 . 1 1 93 93 SER HB3 H 1 4.043 0.002 . 2 . . . . . . . . 5512 1 416 . 1 1 94 94 GLU H H 1 8.908 0.000 . 1 . . . . . . . . 5512 1 417 . 1 1 94 94 GLU HA H 1 4.048 0.000 . 1 . . . . . . . . 5512 1 418 . 1 1 94 94 GLU HB2 H 1 2.125 0.001 . 2 . . . . . . . . 5512 1 419 . 1 1 94 94 GLU HB3 H 1 2.075 0.002 . 2 . . . . . . . . 5512 1 420 . 1 1 94 94 GLU HG2 H 1 2.353 0.000 . 2 . . . . . . . . 5512 1 421 . 1 1 94 94 GLU HG3 H 1 2.272 0.000 . 2 . . . . . . . . 5512 1 422 . 1 1 95 95 LYS H H 1 8.306 0.001 . 1 . . . . . . . . 5512 1 423 . 1 1 95 95 LYS HA H 1 4.385 0.000 . 1 . . . . . . . . 5512 1 424 . 1 1 95 95 LYS HB2 H 1 1.773 0.001 . 2 . . . . . . . . 5512 1 425 . 1 1 95 95 LYS HB3 H 1 1.740 0.000 . 2 . . . . . . . . 5512 1 426 . 1 1 95 95 LYS HG2 H 1 1.376 0.000 . 2 . . . . . . . . 5512 1 427 . 1 1 95 95 LYS HG3 H 1 1.307 0.000 . 2 . . . . . . . . 5512 1 428 . 1 1 95 95 LYS HD2 H 1 1.588 0.000 . 2 . . . . . . . . 5512 1 429 . 1 1 95 95 LYS HE2 H 1 2.884 0.000 . 2 . . . . . . . . 5512 1 430 . 1 1 96 96 PHE H H 1 7.601 0.000 . 1 . . . . . . . . 5512 1 431 . 1 1 96 96 PHE HA H 1 5.566 0.000 . 1 . . . . . . . . 5512 1 432 . 1 1 96 96 PHE HB2 H 1 3.070 0.000 . 2 . . . . . . . . 5512 1 433 . 1 1 96 96 PHE HB3 H 1 2.849 0.001 . 2 . . . . . . . . 5512 1 434 . 1 1 96 96 PHE HZ H 1 7.109 0.000 . 1 . . . . . . . . 5512 1 435 . 1 1 96 96 PHE HD1 H 1 7.064 0.001 . 1 . . . . . . . . 5512 1 436 . 1 1 96 96 PHE HE1 H 1 7.254 0.000 . 1 . . . . . . . . 5512 1 437 . 1 1 97 97 SER H H 1 8.081 0.000 . 1 . . . . . . . . 5512 1 438 . 1 1 97 97 SER HA H 1 4.961 0.000 . 1 . . . . . . . . 5512 1 439 . 1 1 98 98 HIS H H 1 8.666 0.000 . 1 . . . . . . . . 5512 1 440 . 1 1 98 98 HIS HA H 1 5.034 0.002 . 1 . . . . . . . . 5512 1 441 . 1 1 98 98 HIS HB2 H 1 2.961 0.000 . 2 . . . . . . . . 5512 1 442 . 1 1 98 98 HIS HB3 H 1 2.821 0.000 . 2 . . . . . . . . 5512 1 443 . 1 1 99 99 GLU H H 1 8.745 0.002 . 1 . . . . . . . . 5512 1 444 . 1 1 99 99 GLU HA H 1 5.344 0.000 . 1 . . . . . . . . 5512 1 445 . 1 1 99 99 GLU HB2 H 1 1.944 0.002 . 2 . . . . . . . . 5512 1 446 . 1 1 99 99 GLU HB3 H 1 1.849 0.003 . 2 . . . . . . . . 5512 1 447 . 1 1 99 99 GLU HG2 H 1 2.115 0.000 . 2 . . . . . . . . 5512 1 448 . 1 1 99 99 GLU HG3 H 1 2.024 0.001 . 2 . . . . . . . . 5512 1 449 . 1 1 100 100 GLN H H 1 8.972 0.001 . 1 . . . . . . . . 5512 1 450 . 1 1 100 100 GLN HA H 1 5.034 0.000 . 1 . . . . . . . . 5512 1 451 . 1 1 100 100 GLN HG2 H 1 2.083 0.002 . 2 . . . . . . . . 5512 1 452 . 1 1 100 100 GLN HG3 H 1 1.858 0.001 . 2 . . . . . . . . 5512 1 453 . 1 1 100 100 GLN HE21 H 1 6.458 0.000 . 2 . . . . . . . . 5512 1 454 . 1 1 100 100 GLN HE22 H 1 7.505 0.000 . 2 . . . . . . . . 5512 1 455 . 1 1 101 101 GLU H H 1 8.623 0.000 . 1 . . . . . . . . 5512 1 456 . 1 1 101 101 GLU HA H 1 4.981 0.001 . 1 . . . . . . . . 5512 1 457 . 1 1 101 101 GLU HG2 H 1 2.113 0.008 . 2 . . . . . . . . 5512 1 458 . 1 1 102 102 VAL H H 1 8.597 0.000 . 1 . . . . . . . . 5512 1 459 . 1 1 102 102 VAL HA H 1 4.522 0.000 . 1 . . . . . . . . 5512 1 460 . 1 1 102 102 VAL HB H 1 1.385 0.005 . 1 . . . . . . . . 5512 1 461 . 1 1 103 103 LYS H H 1 8.865 0.000 . 1 . . . . . . . . 5512 1 462 . 1 1 103 103 LYS HA H 1 4.486 0.000 . 1 . . . . . . . . 5512 1 463 . 1 1 103 103 LYS HG2 H 1 1.707 0.000 . 2 . . . . . . . . 5512 1 464 . 1 1 103 103 LYS HD2 H 1 1.639 0.000 . 2 . . . . . . . . 5512 1 465 . 1 1 103 103 LYS HE2 H 1 2.855 0.000 . 2 . . . . . . . . 5512 1 466 . 1 1 104 104 GLY H H 1 8.931 0.001 . 1 . . . . . . . . 5512 1 467 . 1 1 104 104 GLY HA2 H 1 3.980 0.003 . 2 . . . . . . . . 5512 1 468 . 1 1 104 104 GLY HA3 H 1 3.619 0.001 . 2 . . . . . . . . 5512 1 469 . 1 1 105 105 ASN H H 1 8.801 0.000 . 1 . . . . . . . . 5512 1 470 . 1 1 105 105 ASN HA H 1 4.932 0.002 . 1 . . . . . . . . 5512 1 471 . 1 1 105 105 ASN HB2 H 1 3.193 0.000 . 2 . . . . . . . . 5512 1 472 . 1 1 105 105 ASN HB3 H 1 2.875 0.001 . 2 . . . . . . . . 5512 1 473 . 1 1 105 105 ASN HD21 H 1 7.599 0.000 . 2 . . . . . . . . 5512 1 474 . 1 1 105 105 ASN HD22 H 1 6.916 0.000 . 2 . . . . . . . . 5512 1 475 . 1 1 106 106 GLU H H 1 8.028 0.000 . 1 . . . . . . . . 5512 1 476 . 1 1 106 106 GLU HA H 1 5.568 0.000 . 1 . . . . . . . . 5512 1 477 . 1 1 106 106 GLU HB2 H 1 2.343 0.002 . 2 . . . . . . . . 5512 1 478 . 1 1 106 106 GLU HB3 H 1 2.069 0.003 . 2 . . . . . . . . 5512 1 479 . 1 1 106 106 GLU HG2 H 1 2.497 0.000 . 2 . . . . . . . . 5512 1 480 . 1 1 107 107 MET H H 1 8.705 0.002 . 1 . . . . . . . . 5512 1 481 . 1 1 107 107 MET HA H 1 5.026 0.002 . 1 . . . . . . . . 5512 1 482 . 1 1 107 107 MET HB2 H 1 1.460 0.000 . 2 . . . . . . . . 5512 1 483 . 1 1 107 107 MET HB3 H 1 0.229 0.001 . 2 . . . . . . . . 5512 1 484 . 1 1 107 107 MET HG2 H 1 1.842 0.002 . 2 . . . . . . . . 5512 1 485 . 1 1 108 108 VAL H H 1 8.872 0.001 . 1 . . . . . . . . 5512 1 486 . 1 1 108 108 VAL HA H 1 4.629 0.001 . 1 . . . . . . . . 5512 1 487 . 1 1 108 108 VAL HB H 1 1.879 0.006 . 1 . . . . . . . . 5512 1 488 . 1 1 109 109 GLU H H 1 9.175 0.000 . 1 . . . . . . . . 5512 1 489 . 1 1 109 109 GLU HA H 1 5.407 0.000 . 1 . . . . . . . . 5512 1 490 . 1 1 109 109 GLU HG2 H 1 2.074 0.001 . 2 . . . . . . . . 5512 1 491 . 1 1 109 109 GLU HG3 H 1 1.816 0.001 . 2 . . . . . . . . 5512 1 492 . 1 1 110 110 THR H H 1 8.702 0.001 . 1 . . . . . . . . 5512 1 493 . 1 1 110 110 THR HA H 1 4.777 0.000 . 1 . . . . . . . . 5512 1 494 . 1 1 110 110 THR HB H 1 3.799 0.000 . 1 . . . . . . . . 5512 1 495 . 1 1 111 111 ILE H H 1 9.321 0.000 . 1 . . . . . . . . 5512 1 496 . 1 1 111 111 ILE HA H 1 4.800 0.000 . 1 . . . . . . . . 5512 1 497 . 1 1 111 111 ILE HB H 1 1.271 0.000 . 1 . . . . . . . . 5512 1 498 . 1 1 112 112 THR H H 1 9.149 0.001 . 1 . . . . . . . . 5512 1 499 . 1 1 112 112 THR HA H 1 5.592 0.001 . 1 . . . . . . . . 5512 1 500 . 1 1 112 112 THR HB H 1 3.762 0.001 . 1 . . . . . . . . 5512 1 501 . 1 1 113 113 PHE H H 1 8.950 0.001 . 1 . . . . . . . . 5512 1 502 . 1 1 113 113 PHE HA H 1 4.986 0.000 . 1 . . . . . . . . 5512 1 503 . 1 1 113 113 PHE HB2 H 1 3.128 0.000 . 2 . . . . . . . . 5512 1 504 . 1 1 113 113 PHE HB3 H 1 2.747 0.001 . 2 . . . . . . . . 5512 1 505 . 1 1 113 113 PHE HD1 H 1 6.992 0.000 . 1 . . . . . . . . 5512 1 506 . 1 1 113 113 PHE HE1 H 1 7.215 0.000 . 1 . . . . . . . . 5512 1 507 . 1 1 114 114 GLY H H 1 8.345 0.002 . 1 . . . . . . . . 5512 1 508 . 1 1 114 114 GLY HA2 H 1 4.030 0.002 . 2 . . . . . . . . 5512 1 509 . 1 1 114 114 GLY HA3 H 1 3.569 0.000 . 2 . . . . . . . . 5512 1 510 . 1 1 115 115 GLY H H 1 8.346 0.001 . 1 . . . . . . . . 5512 1 511 . 1 1 115 115 GLY HA2 H 1 4.223 0.001 . 2 . . . . . . . . 5512 1 512 . 1 1 115 115 GLY HA3 H 1 3.457 0.002 . 2 . . . . . . . . 5512 1 513 . 1 1 116 116 VAL H H 1 7.919 0.000 . 1 . . . . . . . . 5512 1 514 . 1 1 116 116 VAL HA H 1 4.220 0.000 . 1 . . . . . . . . 5512 1 515 . 1 1 116 116 VAL HB H 1 2.222 0.003 . 1 . . . . . . . . 5512 1 516 . 1 1 117 117 THR H H 1 8.550 0.000 . 1 . . . . . . . . 5512 1 517 . 1 1 117 117 THR HA H 1 5.094 0.000 . 1 . . . . . . . . 5512 1 518 . 1 1 117 117 THR HB H 1 3.741 0.000 . 1 . . . . . . . . 5512 1 519 . 1 1 118 118 LEU H H 1 9.457 0.000 . 1 . . . . . . . . 5512 1 520 . 1 1 118 118 LEU HA H 1 4.768 0.000 . 1 . . . . . . . . 5512 1 521 . 1 1 118 118 LEU HB2 H 1 1.127 0.000 . 2 . . . . . . . . 5512 1 522 . 1 1 118 118 LEU HB3 H 1 0.707 0.003 . 2 . . . . . . . . 5512 1 523 . 1 1 118 118 LEU HG H 1 0.981 0.000 . 1 . . . . . . . . 5512 1 524 . 1 1 119 119 ILE H H 1 7.773 0.001 . 1 . . . . . . . . 5512 1 525 . 1 1 119 119 ILE HA H 1 5.059 0.000 . 1 . . . . . . . . 5512 1 526 . 1 1 119 119 ILE HB H 1 1.591 0.002 . 1 . . . . . . . . 5512 1 527 . 1 1 120 120 ARG H H 1 9.170 0.000 . 1 . . . . . . . . 5512 1 528 . 1 1 120 120 ARG HA H 1 5.119 0.000 . 1 . . . . . . . . 5512 1 529 . 1 1 120 120 ARG HG2 H 1 1.427 0.000 . 2 . . . . . . . . 5512 1 530 . 1 1 120 120 ARG HD2 H 1 2.873 0.000 . 2 . . . . . . . . 5512 1 531 . 1 1 120 120 ARG HE H 1 7.287 0.000 . 1 . . . . . . . . 5512 1 532 . 1 1 121 121 ARG H H 1 8.821 0.000 . 1 . . . . . . . . 5512 1 533 . 1 1 121 121 ARG HA H 1 5.238 0.001 . 1 . . . . . . . . 5512 1 534 . 1 1 121 121 ARG HG2 H 1 1.777 0.001 . 2 . . . . . . . . 5512 1 535 . 1 1 121 121 ARG HG3 H 1 1.415 0.001 . 2 . . . . . . . . 5512 1 536 . 1 1 121 121 ARG HD2 H 1 3.246 0.001 . 2 . . . . . . . . 5512 1 537 . 1 1 121 121 ARG HD3 H 1 2.893 0.001 . 2 . . . . . . . . 5512 1 538 . 1 1 121 121 ARG HE H 1 7.478 0.001 . 1 . . . . . . . . 5512 1 539 . 1 1 122 122 SER H H 1 9.232 0.001 . 1 . . . . . . . . 5512 1 540 . 1 1 122 122 SER HA H 1 5.629 0.000 . 1 . . . . . . . . 5512 1 541 . 1 1 122 122 SER HB2 H 1 3.798 0.002 . 2 . . . . . . . . 5512 1 542 . 1 1 122 122 SER HB3 H 1 3.629 0.003 . 2 . . . . . . . . 5512 1 543 . 1 1 122 122 SER HG H 1 5.905 0.000 . 1 . . . . . . . . 5512 1 544 . 1 1 123 123 LYS H H 1 8.443 0.000 . 1 . . . . . . . . 5512 1 545 . 1 1 123 123 LYS HA H 1 5.699 0.000 . 1 . . . . . . . . 5512 1 546 . 1 1 123 123 LYS HB2 H 1 1.954 0.003 . 2 . . . . . . . . 5512 1 547 . 1 1 123 123 LYS HB3 H 1 1.889 0.000 . 2 . . . . . . . . 5512 1 548 . 1 1 123 123 LYS HG2 H 1 1.579 0.002 . 2 . . . . . . . . 5512 1 549 . 1 1 123 123 LYS HD2 H 1 1.513 0.000 . 2 . . . . . . . . 5512 1 550 . 1 1 123 123 LYS HE2 H 1 2.605 0.004 . 2 . . . . . . . . 5512 1 551 . 1 1 123 123 LYS HZ1 H 1 6.719 0.000 . 1 . . . . . . . . 5512 1 552 . 1 1 123 123 LYS HZ2 H 1 6.719 0.000 . 1 . . . . . . . . 5512 1 553 . 1 1 123 123 LYS HZ3 H 1 6.719 0.000 . 1 . . . . . . . . 5512 1 554 . 1 1 124 124 ARG H H 1 8.217 0.000 . 1 . . . . . . . . 5512 1 555 . 1 1 124 124 ARG HA H 1 3.793 0.001 . 1 . . . . . . . . 5512 1 556 . 1 1 124 124 ARG HB2 H 1 1.243 0.002 . 2 . . . . . . . . 5512 1 557 . 1 1 124 124 ARG HB3 H 1 0.961 0.001 . 2 . . . . . . . . 5512 1 558 . 1 1 124 124 ARG HG2 H 1 0.792 0.001 . 2 . . . . . . . . 5512 1 559 . 1 1 124 124 ARG HG3 H 1 0.599 0.001 . 2 . . . . . . . . 5512 1 560 . 1 1 124 124 ARG HD2 H 1 2.886 0.001 . 2 . . . . . . . . 5512 1 561 . 1 1 124 124 ARG HD3 H 1 2.775 0.003 . 2 . . . . . . . . 5512 1 562 . 1 1 124 124 ARG HE H 1 6.858 0.000 . 1 . . . . . . . . 5512 1 563 . 1 1 125 125 VAL H H 1 8.206 0.002 . 1 . . . . . . . . 5512 1 564 . 1 1 125 125 VAL HA H 1 3.954 0.000 . 1 . . . . . . . . 5512 1 565 . 1 1 125 125 VAL HB H 1 1.928 0.000 . 1 . . . . . . . . 5512 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5512 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5512 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 5 5 THR H H 1 . . 1 1 5 5 THR HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 2 3JHNHA . 1 1 6 6 TRP H H 1 . . 1 1 6 6 TRP HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 3 3JHNHA . 1 1 7 7 GLN H H 1 . . 1 1 7 7 GLN HA H 1 . 8.6 . . 0.1 . . . . . . . . . . . 5512 1 4 3JHNHA . 1 1 11 11 GLN H H 1 . . 1 1 11 11 GLN HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 5512 1 5 3JHNHA . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 5512 1 6 3JHNHA . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU HA H 1 . 4.2 . . 0.1 . . . . . . . . . . . 5512 1 7 3JHNHA . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 5512 1 8 3JHNHA . 1 1 17 17 PHE H H 1 . . 1 1 17 17 PHE HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 5512 1 9 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 5.4 . . 0.1 . . . . . . . . . . . 5512 1 10 3JHNHA . 1 1 21 21 LEU H H 1 . . 1 1 21 21 LEU HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 5512 1 11 3JHNHA . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 5512 1 12 3JHNHA . 1 1 25 25 GLU H H 1 . . 1 1 25 25 GLU HA H 1 . 5.4 . . 0.1 . . . . . . . . . . . 5512 1 13 3JHNHA . 1 1 26 26 ASP H H 1 . . 1 1 26 26 ASP HA H 1 . 3.9 . . 0.1 . . . . . . . . . . . 5512 1 14 3JHNHA . 1 1 27 27 LEU H H 1 . . 1 1 27 27 LEU HA H 1 . 5.0 . . 0.1 . . . . . . . . . . . 5512 1 15 3JHNHA . 1 1 28 28 ILE H H 1 . . 1 1 28 28 ILE HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 5512 1 16 3JHNHA . 1 1 29 29 LYS H H 1 . . 1 1 29 29 LYS HA H 1 . 5.4 . . 0.1 . . . . . . . . . . . 5512 1 17 3JHNHA . 1 1 30 30 MET H H 1 . . 1 1 30 30 MET HA H 1 . 5.2 . . 0.1 . . . . . . . . . . . 5512 1 18 3JHNHA . 1 1 33 33 ASP H H 1 . . 1 1 33 33 ASP HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 19 3JHNHA . 1 1 34 34 ILE H H 1 . . 1 1 34 34 ILE HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 5512 1 20 3JHNHA . 1 1 37 37 ILE H H 1 . . 1 1 37 37 ILE HA H 1 . 5.1 . . 0.1 . . . . . . . . . . . 5512 1 21 3JHNHA . 1 1 38 38 VAL H H 1 . . 1 1 38 38 VAL HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 22 3JHNHA . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU HA H 1 . 7.4 . . 0.1 . . . . . . . . . . . 5512 1 23 3JHNHA . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 24 3JHNHA . 1 1 43 43 LYS H H 1 . . 1 1 43 43 LYS HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 25 3JHNHA . 1 1 48 48 VAL H H 1 . . 1 1 48 48 VAL HA H 1 . 8.8 . . 0.1 . . . . . . . . . . . 5512 1 26 3JHNHA . 1 1 49 49 VAL H H 1 . . 1 1 49 49 VAL HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 27 3JHNHA . 1 1 50 50 THR H H 1 . . 1 1 50 50 THR HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 28 3JHNHA . 1 1 51 51 SER H H 1 . . 1 1 51 51 SER HA H 1 . 7.4 . . 0.1 . . . . . . . . . . . 5512 1 29 3JHNHA . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 30 3JHNHA . 1 1 53 53 THR H H 1 . . 1 1 53 53 THR HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 31 3JHNHA . 1 1 55 55 ARG H H 1 . . 1 1 55 55 ARG HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 32 3JHNHA . 1 1 57 57 THR H H 1 . . 1 1 57 57 THR HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 33 3JHNHA . 1 1 58 58 VAL H H 1 . . 1 1 58 58 VAL HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 34 3JHNHA . 1 1 59 59 THR H H 1 . . 1 1 59 59 THR HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 35 3JHNHA . 1 1 60 60 ASN H H 1 . . 1 1 60 60 ASN HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 36 3JHNHA . 1 1 61 61 SER H H 1 . . 1 1 61 61 SER HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 37 3JHNHA . 1 1 63 63 THR H H 1 . . 1 1 63 63 THR HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 38 3JHNHA . 1 1 66 66 LYS H H 1 . . 1 1 66 66 LYS HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 39 3JHNHA . 1 1 68 68 ALA H H 1 . . 1 1 68 68 ALA HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 40 3JHNHA . 1 1 70 70 ILE H H 1 . . 1 1 70 70 ILE HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 41 3JHNHA . 1 1 76 76 LYS H H 1 . . 1 1 76 76 LYS HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 42 3JHNHA . 1 1 78 78 LEU H H 1 . . 1 1 78 78 LEU HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 43 3JHNHA . 1 1 83 83 HIS H H 1 . . 1 1 83 83 HIS HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 44 3JHNHA . 1 1 88 88 LYS H H 1 . . 1 1 88 88 LYS HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 45 3JHNHA . 1 1 90 90 VAL H H 1 . . 1 1 90 90 VAL HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 46 3JHNHA . 1 1 92 92 LYS H H 1 . . 1 1 92 92 LYS HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 47 3JHNHA . 1 1 93 93 SER H H 1 . . 1 1 93 93 SER HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 48 3JHNHA . 1 1 99 99 GLU H H 1 . . 1 1 99 99 GLU HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 49 3JHNHA . 1 1 100 100 GLN H H 1 . . 1 1 100 100 GLN HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 50 3JHNHA . 1 1 101 101 GLU H H 1 . . 1 1 101 101 GLU HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 51 3JHNHA . 1 1 102 102 VAL H H 1 . . 1 1 102 102 VAL HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 52 3JHNHA . 1 1 105 105 ASN H H 1 . . 1 1 105 105 ASN HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 53 3JHNHA . 1 1 106 106 GLU H H 1 . . 1 1 106 106 GLU HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 5512 1 54 3JHNHA . 1 1 109 109 GLU H H 1 . . 1 1 109 109 GLU HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 5512 1 55 3JHNHA . 1 1 111 111 ILE H H 1 . . 1 1 111 111 ILE HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 56 3JHNHA . 1 1 113 113 PHE H H 1 . . 1 1 113 113 PHE HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 57 3JHNHA . 1 1 116 116 VAL H H 1 . . 1 1 116 116 VAL HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 58 3JHNHA . 1 1 117 117 THR H H 1 . . 1 1 117 117 THR HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 59 3JHNHA . 1 1 118 118 LEU H H 1 . . 1 1 118 118 LEU HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 5512 1 60 3JHNHA . 1 1 119 119 ILE H H 1 . . 1 1 119 119 ILE HA H 1 . 7.3 . . 0.1 . . . . . . . . . . . 5512 1 61 3JHNHA . 1 1 121 121 ARG H H 1 . . 1 1 121 121 ARG HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 62 3JHNHA . 1 1 122 122 SER H H 1 . . 1 1 122 122 SER HA H 1 . 8.6 . . 0.1 . . . . . . . . . . . 5512 1 63 3JHNHA . 1 1 123 123 LYS H H 1 . . 1 1 123 123 LYS HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 64 3JHNHA . 1 1 125 125 VAL H H 1 . . 1 1 125 125 VAL HA H 1 . 7.5 . . 0.1 . . . . . . . . . . . 5512 1 stop_ save_