data_4673 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4673 _Entry.Title ; Solution structure of Ileal Lipid Binding Protein in complex with glycocholate ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-02-26 _Entry.Accession_date 2000-02-29 _Entry.Last_release_date 2000-05-24 _Entry.Original_release_date 2000-05-24 _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 Christian Luecke . . . 4673 2 Fengli Zhang . . . 4673 3 James Hamilton . A. . 4673 4 James Sacchettini . C. . 4673 5 Heinz Rueterjans . . . 4673 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4673 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 901 4673 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 . . 2000-05-24 2000-02-26 original author . 4673 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4673 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 10806391 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of Ileal Lipid Binding Protein in complex with glycocholate' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European Journal of Biochemistry' _Citation.Journal_volume 267 _Citation.Journal_issue . _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 2929 _Citation.Page_last 2938 _Citation.Year 2000 _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 Christian Luecke . . . 4673 1 2 Fengli Zhang . . . 4673 1 3 James Hamilton . A. . 4673 1 4 James Sacchettini . C. . 4673 1 5 Heinz Rueterjans . . . 4673 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'lipid binding protein' 4673 1 'NMR spectroscopy' 4673 1 'protein-ligand interaction' 4673 1 'bile acid binding' 4673 1 stop_ save_ save_ref1 _Citation.Sf_category citations _Citation.Sf_framecode ref1 _Citation.Entry_ID 4673 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 89008259 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ILBP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ILBP _Assembly.Entry_ID 4673 _Assembly.ID 1 _Assembly.Name 'ileal lipid 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 4673 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 ILBP 1 $ILBP . . . native . . . . . 4673 1 2 glycocholate 2 $GCH . . . native . . . . . 4673 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1EIO . 'A Chain A, Ileal Lipid Binding Protein In Complex With Glycocholate' . . . . 4673 1 . PDB 1EAL . 'Nmr Study Of Ileal Lipid Binding Protein' . . . . 4673 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ileal lipid binding protein' system 4673 1 ILBP abbreviation 4673 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'lipid binding protein' 4673 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ILBP _Entity.Sf_category entity _Entity.Sf_framecode ILBP _Entity.Entry_ID 4673 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ileal lipid 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 ; AFTGKYEIESEKNYDEFMKR LALPSDAIDKARNLKIISEV KQDGQNFTWSQQYPGGHSIT NTFTIGKECDIETIGGKKFK ATVQMEGGKVVVNSPNYHHT AEIVDGKLVEVSTVGGVSYE RVSKKLA ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14088 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 PDB 1EAL . "Nmr Study Of Ileal Lipid Binding Protein" . . . . . 99.21 127 100.00 100.00 2.04e-86 . . . . 4673 1 2 no PDB 1EIO . "Ileal Lipid Binding Protein In Complex With Glycocholate" . . . . . 100.00 127 100.00 100.00 2.56e-87 . . . . 4673 1 3 no GB AAA77657 . "gastrotropin precursor [Sus scrofa]" . . . . . 100.00 154 99.21 100.00 2.86e-86 . . . . 4673 1 4 no REF NP_999380 . "gastrotropin [Sus scrofa]" . . . . . 100.00 128 100.00 100.00 2.47e-87 . . . . 4673 1 5 no SP P10289 . "RecName: Full=Gastrotropin; Short=GT; AltName: Full=Fatty acid-binding protein 6; AltName: Full=Ileal lipid-binding protein; Sh" . . . . . 100.00 128 99.21 100.00 7.79e-87 . . . . 4673 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ileal lipid binding protein' common 4673 1 ILBP abbreviation 4673 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 . 4673 1 2 . PHE . 4673 1 3 . THR . 4673 1 4 . GLY . 4673 1 5 . LYS . 4673 1 6 . TYR . 4673 1 7 . GLU . 4673 1 8 . ILE . 4673 1 9 . GLU . 4673 1 10 . SER . 4673 1 11 . GLU . 4673 1 12 . LYS . 4673 1 13 . ASN . 4673 1 14 . TYR . 4673 1 15 . ASP . 4673 1 16 . GLU . 4673 1 17 . PHE . 4673 1 18 . MET . 4673 1 19 . LYS . 4673 1 20 . ARG . 4673 1 21 . LEU . 4673 1 22 . ALA . 4673 1 23 . LEU . 4673 1 24 . PRO . 4673 1 25 . SER . 4673 1 26 . ASP . 4673 1 27 . ALA . 4673 1 28 . ILE . 4673 1 29 . ASP . 4673 1 30 . LYS . 4673 1 31 . ALA . 4673 1 32 . ARG . 4673 1 33 . ASN . 4673 1 34 . LEU . 4673 1 35 . LYS . 4673 1 36 . ILE . 4673 1 37 . ILE . 4673 1 38 . SER . 4673 1 39 . GLU . 4673 1 40 . VAL . 4673 1 41 . LYS . 4673 1 42 . GLN . 4673 1 43 . ASP . 4673 1 44 . GLY . 4673 1 45 . GLN . 4673 1 46 . ASN . 4673 1 47 . PHE . 4673 1 48 . THR . 4673 1 49 . TRP . 4673 1 50 . SER . 4673 1 51 . GLN . 4673 1 52 . GLN . 4673 1 53 . TYR . 4673 1 54 . PRO . 4673 1 55 . GLY . 4673 1 56 . GLY . 4673 1 57 . HIS . 4673 1 58 . SER . 4673 1 59 . ILE . 4673 1 60 . THR . 4673 1 61 . ASN . 4673 1 62 . THR . 4673 1 63 . PHE . 4673 1 64 . THR . 4673 1 65 . ILE . 4673 1 66 . GLY . 4673 1 67 . LYS . 4673 1 68 . GLU . 4673 1 69 . CYS . 4673 1 70 . ASP . 4673 1 71 . ILE . 4673 1 72 . GLU . 4673 1 73 . THR . 4673 1 74 . ILE . 4673 1 75 . GLY . 4673 1 76 . GLY . 4673 1 77 . LYS . 4673 1 78 . LYS . 4673 1 79 . PHE . 4673 1 80 . LYS . 4673 1 81 . ALA . 4673 1 82 . THR . 4673 1 83 . VAL . 4673 1 84 . GLN . 4673 1 85 . MET . 4673 1 86 . GLU . 4673 1 87 . GLY . 4673 1 88 . GLY . 4673 1 89 . LYS . 4673 1 90 . VAL . 4673 1 91 . VAL . 4673 1 92 . VAL . 4673 1 93 . ASN . 4673 1 94 . SER . 4673 1 95 . PRO . 4673 1 96 . ASN . 4673 1 97 . TYR . 4673 1 98 . HIS . 4673 1 99 . HIS . 4673 1 100 . THR . 4673 1 101 . ALA . 4673 1 102 . GLU . 4673 1 103 . ILE . 4673 1 104 . VAL . 4673 1 105 . ASP . 4673 1 106 . GLY . 4673 1 107 . LYS . 4673 1 108 . LEU . 4673 1 109 . VAL . 4673 1 110 . GLU . 4673 1 111 . VAL . 4673 1 112 . SER . 4673 1 113 . THR . 4673 1 114 . VAL . 4673 1 115 . GLY . 4673 1 116 . GLY . 4673 1 117 . VAL . 4673 1 118 . SER . 4673 1 119 . TYR . 4673 1 120 . GLU . 4673 1 121 . ARG . 4673 1 122 . VAL . 4673 1 123 . SER . 4673 1 124 . LYS . 4673 1 125 . LYS . 4673 1 126 . LEU . 4673 1 127 . ALA . 4673 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 4673 1 . PHE 2 2 4673 1 . THR 3 3 4673 1 . GLY 4 4 4673 1 . LYS 5 5 4673 1 . TYR 6 6 4673 1 . GLU 7 7 4673 1 . ILE 8 8 4673 1 . GLU 9 9 4673 1 . SER 10 10 4673 1 . GLU 11 11 4673 1 . LYS 12 12 4673 1 . ASN 13 13 4673 1 . TYR 14 14 4673 1 . ASP 15 15 4673 1 . GLU 16 16 4673 1 . PHE 17 17 4673 1 . MET 18 18 4673 1 . LYS 19 19 4673 1 . ARG 20 20 4673 1 . LEU 21 21 4673 1 . ALA 22 22 4673 1 . LEU 23 23 4673 1 . PRO 24 24 4673 1 . SER 25 25 4673 1 . ASP 26 26 4673 1 . ALA 27 27 4673 1 . ILE 28 28 4673 1 . ASP 29 29 4673 1 . LYS 30 30 4673 1 . ALA 31 31 4673 1 . ARG 32 32 4673 1 . ASN 33 33 4673 1 . LEU 34 34 4673 1 . LYS 35 35 4673 1 . ILE 36 36 4673 1 . ILE 37 37 4673 1 . SER 38 38 4673 1 . GLU 39 39 4673 1 . VAL 40 40 4673 1 . LYS 41 41 4673 1 . GLN 42 42 4673 1 . ASP 43 43 4673 1 . GLY 44 44 4673 1 . GLN 45 45 4673 1 . ASN 46 46 4673 1 . PHE 47 47 4673 1 . THR 48 48 4673 1 . TRP 49 49 4673 1 . SER 50 50 4673 1 . GLN 51 51 4673 1 . GLN 52 52 4673 1 . TYR 53 53 4673 1 . PRO 54 54 4673 1 . GLY 55 55 4673 1 . GLY 56 56 4673 1 . HIS 57 57 4673 1 . SER 58 58 4673 1 . ILE 59 59 4673 1 . THR 60 60 4673 1 . ASN 61 61 4673 1 . THR 62 62 4673 1 . PHE 63 63 4673 1 . THR 64 64 4673 1 . ILE 65 65 4673 1 . GLY 66 66 4673 1 . LYS 67 67 4673 1 . GLU 68 68 4673 1 . CYS 69 69 4673 1 . ASP 70 70 4673 1 . ILE 71 71 4673 1 . GLU 72 72 4673 1 . THR 73 73 4673 1 . ILE 74 74 4673 1 . GLY 75 75 4673 1 . GLY 76 76 4673 1 . LYS 77 77 4673 1 . LYS 78 78 4673 1 . PHE 79 79 4673 1 . LYS 80 80 4673 1 . ALA 81 81 4673 1 . THR 82 82 4673 1 . VAL 83 83 4673 1 . GLN 84 84 4673 1 . MET 85 85 4673 1 . GLU 86 86 4673 1 . GLY 87 87 4673 1 . GLY 88 88 4673 1 . LYS 89 89 4673 1 . VAL 90 90 4673 1 . VAL 91 91 4673 1 . VAL 92 92 4673 1 . ASN 93 93 4673 1 . SER 94 94 4673 1 . PRO 95 95 4673 1 . ASN 96 96 4673 1 . TYR 97 97 4673 1 . HIS 98 98 4673 1 . HIS 99 99 4673 1 . THR 100 100 4673 1 . ALA 101 101 4673 1 . GLU 102 102 4673 1 . ILE 103 103 4673 1 . VAL 104 104 4673 1 . ASP 105 105 4673 1 . GLY 106 106 4673 1 . LYS 107 107 4673 1 . LEU 108 108 4673 1 . VAL 109 109 4673 1 . GLU 110 110 4673 1 . VAL 111 111 4673 1 . SER 112 112 4673 1 . THR 113 113 4673 1 . VAL 114 114 4673 1 . GLY 115 115 4673 1 . GLY 116 116 4673 1 . VAL 117 117 4673 1 . SER 118 118 4673 1 . TYR 119 119 4673 1 . GLU 120 120 4673 1 . ARG 121 121 4673 1 . VAL 122 122 4673 1 . SER 123 123 4673 1 . LYS 124 124 4673 1 . LYS 125 125 4673 1 . LEU 126 126 4673 1 . ALA 127 127 4673 1 stop_ save_ save_GCH _Entity.Sf_category entity _Entity.Sf_framecode GCH _Entity.Entry_ID 4673 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GCH _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GCH _Entity.Nonpolymer_comp_label $chem_comp_GCH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . GCH . 4673 2 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 4673 _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 $ILBP . 9823 organism . 'Sus scrofa' pig . . Eukaryota Metazoa Sus scrofa . . . ileum . . . . . . . . . . . . . . . . . 4673 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 4673 _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 $ILBP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4673 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GCH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GCH _Chem_comp.Entry_ID 4673 _Chem_comp.ID GCH _Chem_comp.Provenance . _Chem_comp.Name 'GLYCOCHOLIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GCH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2000-03-09 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GCH _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms N-CHOLYLGLYCINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C26 H43 N O6' _Chem_comp.Formula_weight 465.623 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EIO _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Aug 24 12:58:27 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=C(O)CNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C SMILES ACDLabs 10.04 4673 GCH C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C SMILES_CANONICAL CACTVS 3.341 4673 GCH C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C SMILES CACTVS 3.341 4673 GCH C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4673 GCH CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C SMILES 'OpenEye OEToolkits' 1.5.0 4673 GCH InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 InChI InChI 1.03 4673 GCH RFDAIACWWDREDC-FRVQLJSFSA-N InChIKey InChI 1.03 4673 GCH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-[(3beta,5beta,7beta,9beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine 'SYSTEMATIC NAME' ACDLabs 10.04 4673 GCH '2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4673 GCH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . R 0 . . . . no no . . . . 0.298 . -2.898 . -4.787 . 0.563 -0.960 -6.700 1 . 4673 GCH O . O . . O . . N 0 . . . . no no . . . . 0.856 . -3.269 . -6.046 . 0.356 -2.315 -7.102 2 . 4673 GCH C1 . C1 . . C . . N 0 . . . . no no . . . . -0.167 . -1.448 . -4.834 . -0.690 -0.439 -5.995 3 . 4673 GCH C2 . C2 . . C . . S 0 . . . . no no . . . . -0.886 . -0.998 . -3.548 . -0.468 1.011 -5.563 4 . 4673 GCH C3 . C3 . . C . . S 0 . . . . no no . . . . -2.036 . -1.968 . -3.136 . 0.721 1.081 -4.604 5 . 4673 GCH C4 . C4 . . C . . N 0 . . . . no no . . . . -1.485 . -3.423 . -3.125 . 1.975 0.562 -5.311 6 . 4673 GCH C5 . C5 . . C . . N 0 . . . . no no . . . . -0.845 . -3.839 . -4.444 . 1.754 -0.888 -5.742 7 . 4673 GCH C6 . C6 . . C . . N 0 . . . . no no . . . . -2.464 . -1.641 . -1.685 . 0.943 2.531 -4.169 8 . 4673 GCH C7 . C7 . . C . . N 0 . . . . no no . . . . -1.368 . 0.464 . -3.668 . -1.723 1.530 -4.859 9 . 4673 GCH C8 . C8 . . C . . R 0 . . . . no no . . . . -2.613 . 0.662 . -4.535 . -2.008 0.673 -3.624 10 . 4673 GCH O1 . O1 . . O . . N 0 . . . . no no . . . . -2.224 . 0.567 . -5.908 . -2.214 -0.683 -4.022 11 . 4673 GCH C9 . C9 . . C . . R 0 . . . . no no . . . . -3.751 . -0.328 . -4.188 . -0.819 0.748 -2.665 12 . 4673 GCH C10 . C10 . . C . . S 0 . . . . no no . . . . -3.236 . -1.799 . -4.137 . 0.448 0.230 -3.362 13 . 4673 GCH C11 . C11 . . C . . N 0 . . . . no no . . . . -4.395 . -2.803 . -3.900 . 1.657 0.257 -2.434 14 . 4673 GCH C12 . C12 . . C . . S 0 . . . . no no . . . . -5.561 . -2.638 . -4.894 . 1.380 -0.509 -1.130 15 . 4673 GCH C13 . C13 . . C . . R 0 . . . . no no . . . . -6.109 . -1.196 . -4.890 . 0.137 0.062 -0.483 16 . 4673 GCH C14 . C14 . . C . . S 0 . . . . no no . . . . -4.911 . -0.251 . -5.188 . -1.060 -0.132 -1.454 17 . 4673 GCH C15 . C15 . . C . . N 0 . . . . no no . . . . -5.553 . 1.110 . -5.410 . -2.247 0.261 -0.567 18 . 4673 GCH C16 . C16 . . C . . N 0 . . . . no no . . . . -6.894 . 0.778 . -6.066 . -1.896 -0.398 0.794 19 . 4673 GCH C17 . C17 . . C . . R 0 . . . . no no . . . . -7.045 . -0.770 . -6.070 . -0.357 -0.571 0.812 20 . 4673 GCH C18 . C18 . . C . . R 0 . . . . no no . . . . -8.531 . -1.235 . -6.123 . 0.243 0.150 2.019 21 . 4673 GCH C19 . C19 . . C . . N 0 . . . . no no . . . . -8.645 . -2.743 . -6.367 . 1.767 0.024 1.983 22 . 4673 GCH C20 . C20 . . C . . N 0 . . . . no no . . . . -9.300 . -0.469 . -7.236 . -0.290 -0.479 3.308 23 . 4673 GCH C21 . C21 . . C . . N 0 . . . . no no . . . . -10.772 . -0.850 . -7.378 . 0.310 0.243 4.515 24 . 4673 GCH C22 . C22 . . C . . N 0 . . . . no no . . . . -11.549 . 0.268 . -8.046 . -0.214 -0.376 5.784 25 . 4673 GCH N . N . . N . . N 0 . . . . no no . . . . -11.675 . 0.167 . -9.408 . 0.180 0.100 6.981 26 . 4673 GCH CA . CA . . C . . N 0 . . . . no no . . . . -12.575 . 1.040 . -10.148 . -0.329 -0.502 8.215 27 . 4673 GCH O2 . O2 . . O . . N 0 . . . . no no . . . . -11.993 . 1.221 . -7.402 . -0.992 -1.305 5.729 28 . 4673 GCH C23 . C23 . . C . . N 0 . . . . no no . . . . -6.782 . -0.902 . -3.532 . 0.301 1.571 -0.291 29 . 4673 GCH O3 . O3 . . O . . N 0 . . . . no no . . . . -5.096 . -2.996 . -6.203 . 1.119 -1.884 -1.421 30 . 4673 GCH C24 . C24 . . C . . N 0 . . . . no no . . . . -12.025 . 2.446 . -10.363 . 0.262 0.209 9.404 31 . 4673 GCH O4 . O4 . . O . . N 0 . . . . no no . . . . -13.008 . 3.355 . -10.540 . -0.065 -0.175 10.648 32 . 4673 GCH O5 . O5 . . O . . N 0 . . . . no no . . . . -10.847 . 2.766 . -10.405 . 1.031 1.126 9.238 33 . 4673 GCH H12 . H12 . . H . . N 0 . . . . no no . . . . 1.077 . -3.006 . -4.037 . 0.766 -0.347 -7.579 34 . 4673 GCH H1 . H1 . . H . . N 0 . . . . no no . . . . 1.723 . -2.794 . -6.089 . 1.168 -2.604 -7.542 35 . 4673 GCH H10 . H10 . . H . . N 0 . . . . no no . . . . 0.695 . -0.795 . -5.015 . -0.893 -1.053 -5.117 36 . 4673 GCH H11 . H11 . . H . . N 0 . . . . no no . . . . -0.811 . -1.331 . -5.707 . -1.538 -0.490 -6.678 37 . 4673 GCH H9 . H9 . . H . . N 0 . . . . no no . . . . -0.126 . -1.015 . -2.753 . -0.264 1.624 -6.441 38 . 4673 GCH H4 . H4 . . H . . N 0 . . . . no no . . . . -2.264 . -4.144 . -2.855 . 2.824 0.613 -4.629 39 . 4673 GCH H5 . H5 . . H . . N 0 . . . . no no . . . . -0.727 . -3.512 . -2.336 . 2.177 1.176 -6.189 40 . 4673 GCH H2 . H2 . . H . . N 0 . . . . no no . . . . -0.462 . -4.862 . -4.366 . 1.551 -1.502 -4.864 41 . 4673 GCH H3 . H3 . . H . . N 0 . . . . no no . . . . -1.580 . -3.868 . -5.255 . 2.648 -1.258 -6.245 42 . 4673 GCH H6 . H6 . . H . . N 0 . . . . no no . . . . -3.260 . -2.304 . -1.341 . 1.147 3.146 -5.045 43 . 4673 GCH H7 . H7 . . H . . N 0 . . . . no no . . . . -1.622 . -1.755 . -0.993 . 0.050 2.900 -3.665 44 . 4673 GCH H8 . H8 . . H . . N 0 . . . . no no . . . . -2.829 . -0.619 . -1.570 . 1.791 2.579 -3.486 45 . 4673 GCH H17 . H17 . . H . . N 0 . . . . no no . . . . -0.549 . 1.077 . -4.068 . -2.571 1.477 -5.541 46 . 4673 GCH H18 . H18 . . H . . N 0 . . . . no no . . . . -1.577 . 0.850 . -2.664 . -1.566 2.565 -4.554 47 . 4673 GCH H16 . H16 . . H . . N 0 . . . . no no . . . . -2.966 . 1.689 . -4.384 . -2.903 1.044 -3.123 48 . 4673 GCH H13 . H13 . . H . . N 0 . . . . no no . . . . -2.943 . 0.945 . -6.446 . -2.971 -0.686 -4.624 49 . 4673 GCH H15 . H15 . . H . . N 0 . . . . no no . . . . -4.130 . -0.048 . -3.199 . -0.668 1.780 -2.346 50 . 4673 GCH H14 . H14 . . H . . N 0 . . . . no no . . . . -2.860 . -2.026 . -5.143 . 0.265 -0.798 -3.673 51 . 4673 GCH H41 . H41 . . H . . N 0 . . . . no no . . . . -4.015 . -3.824 . -4.009 . 2.507 -0.198 -2.942 52 . 4673 GCH H42 . H42 . . H . . N 0 . . . . no no . . . . -4.775 . -2.716 . -2.878 . 1.900 1.292 -2.195 53 . 4673 GCH H40 . H40 . . H . . N 0 . . . . no no . . . . -6.338 . -3.356 . -4.624 . 2.238 -0.428 -0.463 54 . 4673 GCH H35 . H35 . . H . . N 0 . . . . no no . . . . -4.494 . -0.555 . -6.156 . -1.140 -1.176 -1.755 55 . 4673 GCH H33 . H33 . . H . . N 0 . . . . no no . . . . -5.705 . 1.643 . -4.466 . -3.176 -0.145 -0.965 56 . 4673 GCH H34 . H34 . . H . . N 0 . . . . no no . . . . -4.951 . 1.757 . -6.057 . -2.310 1.344 -0.467 57 . 4673 GCH H31 . H31 . . H . . N 0 . . . . no no . . . . -6.912 . 1.157 . -7.090 . -2.384 -1.369 0.875 58 . 4673 GCH H32 . H32 . . H . . N 0 . . . . no no . . . . -7.699 . 1.265 . -5.505 . -2.210 0.248 1.614 59 . 4673 GCH H30 . H30 . . H . . N 0 . . . . no no . . . . -6.587 . -1.127 . -6.997 . -0.097 -1.630 0.838 60 . 4673 GCH H29 . H29 . . H . . N 0 . . . . no no . . . . -9.014 . -1.001 . -5.167 . -0.035 1.204 1.988 61 . 4673 GCH H19 . H19 . . H . . N 0 . . . . no no . . . . -9.691 . -3.069 . -6.378 . 2.045 -1.029 2.015 62 . 4673 GCH H20 . H20 . . H . . N 0 . . . . no no . . . . -8.192 . -3.026 . -7.323 . 2.147 0.473 1.065 63 . 4673 GCH H21 . H21 . . H . . N 0 . . . . no no . . . . -8.162 . -3.319 . -5.581 . 2.195 0.539 2.843 64 . 4673 GCH H27 . H27 . . H . . N 0 . . . . no no . . . . -9.254 . 0.603 . -7.027 . -1.376 -0.389 3.334 65 . 4673 GCH H28 . H28 . . H . . N 0 . . . . no no . . . . -8.800 . -0.615 . -8.201 . -0.011 -1.532 3.340 66 . 4673 GCH H25 . H25 . . H . . N 0 . . . . no no . . . . -10.874 . -1.771 . -7.959 . 1.396 0.153 4.489 67 . 4673 GCH H26 . H26 . . H . . N 0 . . . . no no . . . . -11.233 . -1.025 . -6.400 . 0.032 1.297 4.484 68 . 4673 GCH H24 . H24 . . H . . N 0 . . . . no no . . . . -11.358 . -0.678 . -9.871 . 0.803 0.843 7.026 69 . 4673 GCH H22 . H22 . . H . . N 0 . . . . no no . . . . -13.516 . 1.107 . -9.590 . -1.415 -0.412 8.241 70 . 4673 GCH H23 . H23 . . H . . N 0 . . . . no no . . . . -12.759 . 0.586 . -11.124 . -0.051 -1.555 8.247 71 . 4673 GCH H36 . H36 . . H . . N 0 . . . . no no . . . . -7.610 . -1.590 . -3.350 . 0.565 2.032 -1.243 72 . 4673 GCH H37 . H37 . . H . . N 0 . . . . no no . . . . -6.097 . -0.990 . -2.687 . -0.635 1.996 0.070 73 . 4673 GCH H38 . H38 . . H . . N 0 . . . . no no . . . . -7.202 . 0.104 . -3.491 . 1.091 1.761 0.435 74 . 4673 GCH H39 . H39 . . H . . N 0 . . . . no no . . . . -4.699 . -3.880 . -6.101 . 1.908 -2.231 -1.859 75 . 4673 GCH H43 . H43 . . H . . N 0 . . . . no no . . . . -12.581 . 4.247 . -10.649 . 0.314 0.281 11.411 76 . 4673 GCH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C O no N 1 . 4673 GCH 2 . SING C C1 no N 2 . 4673 GCH 3 . SING C C5 no N 3 . 4673 GCH 4 . SING C H12 no N 4 . 4673 GCH 5 . SING O H1 no N 5 . 4673 GCH 6 . SING C1 C2 no N 6 . 4673 GCH 7 . SING C1 H10 no N 7 . 4673 GCH 8 . SING C1 H11 no N 8 . 4673 GCH 9 . SING C2 C3 no N 9 . 4673 GCH 10 . SING C2 C7 no N 10 . 4673 GCH 11 . SING C2 H9 no N 11 . 4673 GCH 12 . SING C3 C4 no N 12 . 4673 GCH 13 . SING C3 C6 no N 13 . 4673 GCH 14 . SING C3 C10 no N 14 . 4673 GCH 15 . SING C4 C5 no N 15 . 4673 GCH 16 . SING C4 H4 no N 16 . 4673 GCH 17 . SING C4 H5 no N 17 . 4673 GCH 18 . SING C5 H2 no N 18 . 4673 GCH 19 . SING C5 H3 no N 19 . 4673 GCH 20 . SING C6 H6 no N 20 . 4673 GCH 21 . SING C6 H7 no N 21 . 4673 GCH 22 . SING C6 H8 no N 22 . 4673 GCH 23 . SING C7 C8 no N 23 . 4673 GCH 24 . SING C7 H17 no N 24 . 4673 GCH 25 . SING C7 H18 no N 25 . 4673 GCH 26 . SING C8 O1 no N 26 . 4673 GCH 27 . SING C8 C9 no N 27 . 4673 GCH 28 . SING C8 H16 no N 28 . 4673 GCH 29 . SING O1 H13 no N 29 . 4673 GCH 30 . SING C9 C10 no N 30 . 4673 GCH 31 . SING C9 C14 no N 31 . 4673 GCH 32 . SING C9 H15 no N 32 . 4673 GCH 33 . SING C10 C11 no N 33 . 4673 GCH 34 . SING C10 H14 no N 34 . 4673 GCH 35 . SING C11 C12 no N 35 . 4673 GCH 36 . SING C11 H41 no N 36 . 4673 GCH 37 . SING C11 H42 no N 37 . 4673 GCH 38 . SING C12 C13 no N 38 . 4673 GCH 39 . SING C12 O3 no N 39 . 4673 GCH 40 . SING C12 H40 no N 40 . 4673 GCH 41 . SING C13 C14 no N 41 . 4673 GCH 42 . SING C13 C17 no N 42 . 4673 GCH 43 . SING C13 C23 no N 43 . 4673 GCH 44 . SING C14 C15 no N 44 . 4673 GCH 45 . SING C14 H35 no N 45 . 4673 GCH 46 . SING C15 C16 no N 46 . 4673 GCH 47 . SING C15 H33 no N 47 . 4673 GCH 48 . SING C15 H34 no N 48 . 4673 GCH 49 . SING C16 C17 no N 49 . 4673 GCH 50 . SING C16 H31 no N 50 . 4673 GCH 51 . SING C16 H32 no N 51 . 4673 GCH 52 . SING C17 C18 no N 52 . 4673 GCH 53 . SING C17 H30 no N 53 . 4673 GCH 54 . SING C18 C19 no N 54 . 4673 GCH 55 . SING C18 C20 no N 55 . 4673 GCH 56 . SING C18 H29 no N 56 . 4673 GCH 57 . SING C19 H19 no N 57 . 4673 GCH 58 . SING C19 H20 no N 58 . 4673 GCH 59 . SING C19 H21 no N 59 . 4673 GCH 60 . SING C20 C21 no N 60 . 4673 GCH 61 . SING C20 H27 no N 61 . 4673 GCH 62 . SING C20 H28 no N 62 . 4673 GCH 63 . SING C21 C22 no N 63 . 4673 GCH 64 . SING C21 H25 no N 64 . 4673 GCH 65 . SING C21 H26 no N 65 . 4673 GCH 66 . SING C22 N no N 66 . 4673 GCH 67 . DOUB C22 O2 no N 67 . 4673 GCH 68 . SING N CA no N 68 . 4673 GCH 69 . SING N H24 no N 69 . 4673 GCH 70 . SING CA C24 no N 70 . 4673 GCH 71 . SING CA H22 no N 71 . 4673 GCH 72 . SING CA H23 no N 72 . 4673 GCH 73 . SING C23 H36 no N 73 . 4673 GCH 74 . SING C23 H37 no N 74 . 4673 GCH 75 . SING C23 H38 no N 75 . 4673 GCH 76 . SING O3 H39 no N 76 . 4673 GCH 77 . SING C24 O4 no N 77 . 4673 GCH 78 . DOUB C24 O5 no N 78 . 4673 GCH 79 . SING O4 H43 no N 79 . 4673 GCH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4673 _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 'ileal lipid binding protein' . . . 1 $ILBP . . . 3 4 mM . . . . 4673 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 4673 _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 5.0 0.2 pH 4673 1 temperature 310 0.1 K 4673 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4673 _Software.ID 1 _Software.Name XWINNMR _Software.Version 1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition and processing' 4673 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 4673 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4673 2 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4673 _Software.ID 3 _Software.Name FELIX _Software.Version 95.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4673 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4673 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4673 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4673 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4673 _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 spectrometer_1 Bruker DMX . 500 . . . 4673 1 2 spectrometer_2 Bruker DMX . 600 . . . 4673 1 3 spectrometer_3 Bruker DRX . 800 . . . 4673 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 4673 _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.Xray_instrument_ID _Experiment.Xray_instrument_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 1 '1H-1H TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4673 1 2 '1H-1H NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4673 1 3 '1H-13C NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond1 . . . . . . . . . . . . . . . . . . . . . 4673 1 stop_ 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 4673 _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 0.0 internal direct 1.0 . . . . . . . . . 4673 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4673 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _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 . 4673 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 HA H 1 4.19 0.01 . 1 . . . . . . . . 4673 1 2 . 1 1 1 1 ALA HB1 H 1 1.21 0.01 . 1 . . . . . . . . 4673 1 3 . 1 1 1 1 ALA HB2 H 1 1.21 0.01 . 1 . . . . . . . . 4673 1 4 . 1 1 1 1 ALA HB3 H 1 1.21 0.01 . 1 . . . . . . . . 4673 1 5 . 1 1 2 2 PHE H H 1 8.17 0.01 . 1 . . . . . . . . 4673 1 6 . 1 1 2 2 PHE HA H 1 4.18 0.01 . 1 . . . . . . . . 4673 1 7 . 1 1 2 2 PHE HB2 H 1 3.02 0.01 . 1 . . . . . . . . 4673 1 8 . 1 1 2 2 PHE HB3 H 1 3.02 0.01 . 1 . . . . . . . . 4673 1 9 . 1 1 2 2 PHE HD1 H 1 7.39 0.01 . 1 . . . . . . . . 4673 1 10 . 1 1 2 2 PHE HD2 H 1 7.39 0.01 . 1 . . . . . . . . 4673 1 11 . 1 1 2 2 PHE HE1 H 1 7.32 0.01 . 1 . . . . . . . . 4673 1 12 . 1 1 2 2 PHE HE2 H 1 7.32 0.01 . 1 . . . . . . . . 4673 1 13 . 1 1 2 2 PHE HZ H 1 7.88 0.01 . 1 . . . . . . . . 4673 1 14 . 1 1 3 3 THR H H 1 7.41 0.01 . 1 . . . . . . . . 4673 1 15 . 1 1 3 3 THR HA H 1 4.08 0.01 . 1 . . . . . . . . 4673 1 16 . 1 1 3 3 THR HB H 1 4.02 0.01 . 1 . . . . . . . . 4673 1 17 . 1 1 3 3 THR HG21 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 18 . 1 1 3 3 THR HG22 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 19 . 1 1 3 3 THR HG23 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 20 . 1 1 4 4 GLY H H 1 8.88 0.01 . 1 . . . . . . . . 4673 1 21 . 1 1 4 4 GLY HA2 H 1 3.94 0.01 . 2 . . . . . . . . 4673 1 22 . 1 1 4 4 GLY HA3 H 1 3.89 0.01 . 2 . . . . . . . . 4673 1 23 . 1 1 5 5 LYS H H 1 8.01 0.01 . 1 . . . . . . . . 4673 1 24 . 1 1 5 5 LYS HA H 1 5.26 0.01 . 1 . . . . . . . . 4673 1 25 . 1 1 5 5 LYS HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4673 1 26 . 1 1 5 5 LYS HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4673 1 27 . 1 1 5 5 LYS HG2 H 1 1.23 0.01 . 1 . . . . . . . . 4673 1 28 . 1 1 5 5 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 4673 1 29 . 1 1 5 5 LYS HD2 H 1 1.61 0.01 . 1 . . . . . . . . 4673 1 30 . 1 1 5 5 LYS HD3 H 1 1.61 0.01 . 1 . . . . . . . . 4673 1 31 . 1 1 5 5 LYS HE2 H 1 2.83 0.01 . 1 . . . . . . . . 4673 1 32 . 1 1 5 5 LYS HE3 H 1 2.83 0.01 . 1 . . . . . . . . 4673 1 33 . 1 1 6 6 TYR H H 1 9.52 0.01 . 1 . . . . . . . . 4673 1 34 . 1 1 6 6 TYR HA H 1 5.74 0.01 . 1 . . . . . . . . 4673 1 35 . 1 1 6 6 TYR HB2 H 1 2.89 0.01 . 2 . . . . . . . . 4673 1 36 . 1 1 6 6 TYR HB3 H 1 2.59 0.01 . 2 . . . . . . . . 4673 1 37 . 1 1 6 6 TYR HD1 H 1 6.76 0.01 . 1 . . . . . . . . 4673 1 38 . 1 1 6 6 TYR HD2 H 1 6.76 0.01 . 1 . . . . . . . . 4673 1 39 . 1 1 6 6 TYR HE1 H 1 6.58 0.01 . 1 . . . . . . . . 4673 1 40 . 1 1 6 6 TYR HE2 H 1 6.58 0.01 . 1 . . . . . . . . 4673 1 41 . 1 1 7 7 GLU H H 1 9.19 0.01 . 1 . . . . . . . . 4673 1 42 . 1 1 7 7 GLU HA H 1 5.25 0.01 . 1 . . . . . . . . 4673 1 43 . 1 1 7 7 GLU HB2 H 1 1.97 0.01 . 1 . . . . . . . . 4673 1 44 . 1 1 7 7 GLU HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4673 1 45 . 1 1 7 7 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 4673 1 46 . 1 1 7 7 GLU HG3 H 1 2.03 0.01 . 1 . . . . . . . . 4673 1 47 . 1 1 8 8 ILE H H 1 7.68 0.01 . 1 . . . . . . . . 4673 1 48 . 1 1 8 8 ILE HA H 1 4.35 0.01 . 1 . . . . . . . . 4673 1 49 . 1 1 8 8 ILE HB H 1 1.87 0.01 . 1 . . . . . . . . 4673 1 50 . 1 1 8 8 ILE HG12 H 1 1.83 0.01 . 2 . . . . . . . . 4673 1 51 . 1 1 8 8 ILE HG13 H 1 1.36 0.01 . 2 . . . . . . . . 4673 1 52 . 1 1 8 8 ILE HG21 H 1 1.07 0.01 . 1 . . . . . . . . 4673 1 53 . 1 1 8 8 ILE HG22 H 1 1.07 0.01 . 1 . . . . . . . . 4673 1 54 . 1 1 8 8 ILE HG23 H 1 1.07 0.01 . 1 . . . . . . . . 4673 1 55 . 1 1 8 8 ILE HD11 H 1 0.98 0.01 . 1 . . . . . . . . 4673 1 56 . 1 1 8 8 ILE HD12 H 1 0.98 0.01 . 1 . . . . . . . . 4673 1 57 . 1 1 8 8 ILE HD13 H 1 0.98 0.01 . 1 . . . . . . . . 4673 1 58 . 1 1 9 9 GLU H H 1 10.19 0.01 . 1 . . . . . . . . 4673 1 59 . 1 1 9 9 GLU HA H 1 4.75 0.01 . 1 . . . . . . . . 4673 1 60 . 1 1 9 9 GLU HB2 H 1 2.09 0.01 . 1 . . . . . . . . 4673 1 61 . 1 1 9 9 GLU HB3 H 1 2.09 0.01 . 1 . . . . . . . . 4673 1 62 . 1 1 9 9 GLU HG2 H 1 2.22 0.01 . 1 . . . . . . . . 4673 1 63 . 1 1 9 9 GLU HG3 H 1 2.22 0.01 . 1 . . . . . . . . 4673 1 64 . 1 1 10 10 SER H H 1 8.36 0.01 . 1 . . . . . . . . 4673 1 65 . 1 1 10 10 SER HA H 1 4.88 0.01 . 1 . . . . . . . . 4673 1 66 . 1 1 10 10 SER HB2 H 1 3.93 0.01 . 2 . . . . . . . . 4673 1 67 . 1 1 10 10 SER HB3 H 1 3.89 0.01 . 2 . . . . . . . . 4673 1 68 . 1 1 11 11 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 4673 1 69 . 1 1 11 11 GLU HA H 1 5.42 0.01 . 1 . . . . . . . . 4673 1 70 . 1 1 11 11 GLU HB2 H 1 2.33 0.01 . 2 . . . . . . . . 4673 1 71 . 1 1 11 11 GLU HB3 H 1 2.21 0.01 . 2 . . . . . . . . 4673 1 72 . 1 1 11 11 GLU HG2 H 1 2.40 0.01 . 2 . . . . . . . . 4673 1 73 . 1 1 11 11 GLU HG3 H 1 2.36 0.01 . 2 . . . . . . . . 4673 1 74 . 1 1 12 12 LYS H H 1 9.16 0.01 . 1 . . . . . . . . 4673 1 75 . 1 1 12 12 LYS HA H 1 4.79 0.01 . 1 . . . . . . . . 4673 1 76 . 1 1 12 12 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4673 1 77 . 1 1 12 12 LYS HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4673 1 78 . 1 1 12 12 LYS HG2 H 1 1.52 0.01 . 2 . . . . . . . . 4673 1 79 . 1 1 12 12 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . 4673 1 80 . 1 1 12 12 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 4673 1 81 . 1 1 12 12 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 4673 1 82 . 1 1 12 12 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 4673 1 83 . 1 1 12 12 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 4673 1 84 . 1 1 13 13 ASN H H 1 9.14 0.01 . 1 . . . . . . . . 4673 1 85 . 1 1 13 13 ASN HA H 1 4.77 0.01 . 1 . . . . . . . . 4673 1 86 . 1 1 13 13 ASN HB2 H 1 3.61 0.01 . 2 . . . . . . . . 4673 1 87 . 1 1 13 13 ASN HB3 H 1 3.31 0.01 . 2 . . . . . . . . 4673 1 88 . 1 1 13 13 ASN HD21 H 1 7.88 0.01 . 2 . . . . . . . . 4673 1 89 . 1 1 13 13 ASN HD22 H 1 7.06 0.01 . 2 . . . . . . . . 4673 1 90 . 1 1 14 14 TYR H H 1 8.45 0.01 . 1 . . . . . . . . 4673 1 91 . 1 1 14 14 TYR HA H 1 3.79 0.01 . 1 . . . . . . . . 4673 1 92 . 1 1 14 14 TYR HB2 H 1 3.10 0.01 . 1 . . . . . . . . 4673 1 93 . 1 1 14 14 TYR HB3 H 1 2.95 0.01 . 1 . . . . . . . . 4673 1 94 . 1 1 14 14 TYR HD1 H 1 6.95 0.01 . 1 . . . . . . . . 4673 1 95 . 1 1 14 14 TYR HD2 H 1 6.95 0.01 . 1 . . . . . . . . 4673 1 96 . 1 1 14 14 TYR HE1 H 1 6.70 0.01 . 1 . . . . . . . . 4673 1 97 . 1 1 14 14 TYR HE2 H 1 6.70 0.01 . 1 . . . . . . . . 4673 1 98 . 1 1 15 15 ASP H H 1 8.54 0.01 . 1 . . . . . . . . 4673 1 99 . 1 1 15 15 ASP HA H 1 3.90 0.01 . 1 . . . . . . . . 4673 1 100 . 1 1 15 15 ASP HB2 H 1 2.56 0.01 . 1 . . . . . . . . 4673 1 101 . 1 1 15 15 ASP HB3 H 1 2.69 0.01 . 1 . . . . . . . . 4673 1 102 . 1 1 16 16 GLU H H 1 8.61 0.01 . 1 . . . . . . . . 4673 1 103 . 1 1 16 16 GLU HA H 1 3.90 0.01 . 1 . . . . . . . . 4673 1 104 . 1 1 16 16 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4673 1 105 . 1 1 16 16 GLU HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4673 1 106 . 1 1 16 16 GLU HG2 H 1 2.45 0.01 . 2 . . . . . . . . 4673 1 107 . 1 1 16 16 GLU HG3 H 1 2.39 0.01 . 2 . . . . . . . . 4673 1 108 . 1 1 17 17 PHE H H 1 7.92 0.01 . 1 . . . . . . . . 4673 1 109 . 1 1 17 17 PHE HA H 1 3.98 0.01 . 1 . . . . . . . . 4673 1 110 . 1 1 17 17 PHE HB2 H 1 3.05 0.01 . 2 . . . . . . . . 4673 1 111 . 1 1 17 17 PHE HB3 H 1 2.96 0.01 . 2 . . . . . . . . 4673 1 112 . 1 1 17 17 PHE HD1 H 1 6.89 0.01 . 1 . . . . . . . . 4673 1 113 . 1 1 17 17 PHE HD2 H 1 6.89 0.01 . 1 . . . . . . . . 4673 1 114 . 1 1 17 17 PHE HE1 H 1 7.17 0.01 . 1 . . . . . . . . 4673 1 115 . 1 1 17 17 PHE HE2 H 1 7.17 0.01 . 1 . . . . . . . . 4673 1 116 . 1 1 17 17 PHE HZ H 1 7.24 0.01 . 1 . . . . . . . . 4673 1 117 . 1 1 18 18 MET H H 1 8.22 0.01 . 1 . . . . . . . . 4673 1 118 . 1 1 18 18 MET HA H 1 3.96 0.01 . 1 . . . . . . . . 4673 1 119 . 1 1 18 18 MET HB2 H 1 1.75 0.01 . 1 . . . . . . . . 4673 1 120 . 1 1 18 18 MET HB3 H 1 1.71 0.01 . 1 . . . . . . . . 4673 1 121 . 1 1 18 18 MET HG2 H 1 2.10 0.01 . 1 . . . . . . . . 4673 1 122 . 1 1 18 18 MET HG3 H 1 1.53 0.01 . 1 . . . . . . . . 4673 1 123 . 1 1 18 18 MET HE1 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 124 . 1 1 18 18 MET HE2 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 125 . 1 1 18 18 MET HE3 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 126 . 1 1 19 19 LYS H H 1 7.76 0.01 . 1 . . . . . . . . 4673 1 127 . 1 1 19 19 LYS HA H 1 4.03 0.01 . 1 . . . . . . . . 4673 1 128 . 1 1 19 19 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 4673 1 129 . 1 1 19 19 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4673 1 130 . 1 1 19 19 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 131 . 1 1 19 19 LYS HG3 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 132 . 1 1 19 19 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4673 1 133 . 1 1 19 19 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4673 1 134 . 1 1 19 19 LYS HE2 H 1 2.91 0.01 . 1 . . . . . . . . 4673 1 135 . 1 1 19 19 LYS HE3 H 1 2.91 0.01 . 1 . . . . . . . . 4673 1 136 . 1 1 20 20 ARG H H 1 7.72 0.01 . 1 . . . . . . . . 4673 1 137 . 1 1 20 20 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 4673 1 138 . 1 1 20 20 ARG HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 139 . 1 1 20 20 ARG HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 140 . 1 1 20 20 ARG HG2 H 1 1.91 0.01 . 2 . . . . . . . . 4673 1 141 . 1 1 20 20 ARG HG3 H 1 1.65 0.01 . 2 . . . . . . . . 4673 1 142 . 1 1 20 20 ARG HD2 H 1 3.30 0.01 . 2 . . . . . . . . 4673 1 143 . 1 1 20 20 ARG HD3 H 1 3.22 0.01 . 2 . . . . . . . . 4673 1 144 . 1 1 20 20 ARG HE H 1 7.41 0.01 . 1 . . . . . . . . 4673 1 145 . 1 1 21 21 LEU H H 1 7.32 0.01 . 1 . . . . . . . . 4673 1 146 . 1 1 21 21 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 4673 1 147 . 1 1 21 21 LEU HB2 H 1 1.56 0.01 . 2 . . . . . . . . 4673 1 148 . 1 1 21 21 LEU HB3 H 1 1.44 0.01 . 2 . . . . . . . . 4673 1 149 . 1 1 21 21 LEU HG H 1 1.30 0.01 . 1 . . . . . . . . 4673 1 150 . 1 1 21 21 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 4673 1 151 . 1 1 21 21 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 4673 1 152 . 1 1 21 21 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 4673 1 153 . 1 1 21 21 LEU HD21 H 1 0.64 0.01 . 2 . . . . . . . . 4673 1 154 . 1 1 21 21 LEU HD22 H 1 0.64 0.01 . 2 . . . . . . . . 4673 1 155 . 1 1 21 21 LEU HD23 H 1 0.64 0.01 . 2 . . . . . . . . 4673 1 156 . 1 1 22 22 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 4673 1 157 . 1 1 22 22 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 4673 1 158 . 1 1 22 22 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 159 . 1 1 22 22 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 160 . 1 1 22 22 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 161 . 1 1 23 23 LEU H H 1 7.08 0.01 . 1 . . . . . . . . 4673 1 162 . 1 1 23 23 LEU HA H 1 4.52 0.01 . 1 . . . . . . . . 4673 1 163 . 1 1 23 23 LEU HB2 H 1 1.33 0.01 . 1 . . . . . . . . 4673 1 164 . 1 1 23 23 LEU HB3 H 1 1.33 0.01 . 1 . . . . . . . . 4673 1 165 . 1 1 23 23 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 4673 1 166 . 1 1 23 23 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 4673 1 167 . 1 1 23 23 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 4673 1 168 . 1 1 23 23 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 4673 1 169 . 1 1 23 23 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 4673 1 170 . 1 1 23 23 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 4673 1 171 . 1 1 23 23 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 4673 1 172 . 1 1 24 24 PRO HA H 1 4.53 0.01 . 1 . . . . . . . . 4673 1 173 . 1 1 24 24 PRO HB2 H 1 2.42 0.01 . 1 . . . . . . . . 4673 1 174 . 1 1 24 24 PRO HB3 H 1 2.42 0.01 . 1 . . . . . . . . 4673 1 175 . 1 1 24 24 PRO HG2 H 1 2.11 0.01 . 1 . . . . . . . . 4673 1 176 . 1 1 24 24 PRO HG3 H 1 2.11 0.01 . 1 . . . . . . . . 4673 1 177 . 1 1 24 24 PRO HD2 H 1 3.51 0.01 . 1 . . . . . . . . 4673 1 178 . 1 1 24 24 PRO HD3 H 1 3.89 0.01 . 1 . . . . . . . . 4673 1 179 . 1 1 25 25 SER H H 1 8.65 0.01 . 1 . . . . . . . . 4673 1 180 . 1 1 25 25 SER HA H 1 3.98 0.01 . 1 . . . . . . . . 4673 1 181 . 1 1 25 25 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 4673 1 182 . 1 1 25 25 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 4673 1 183 . 1 1 26 26 ASP H H 1 8.68 0.01 . 1 . . . . . . . . 4673 1 184 . 1 1 26 26 ASP HA H 1 4.46 0.01 . 1 . . . . . . . . 4673 1 185 . 1 1 26 26 ASP HB2 H 1 2.68 0.01 . 1 . . . . . . . . 4673 1 186 . 1 1 26 26 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . 4673 1 187 . 1 1 27 27 ALA H H 1 7.32 0.01 . 1 . . . . . . . . 4673 1 188 . 1 1 27 27 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4673 1 189 . 1 1 27 27 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 4673 1 190 . 1 1 27 27 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4673 1 191 . 1 1 27 27 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4673 1 192 . 1 1 28 28 ILE H H 1 7.66 0.01 . 1 . . . . . . . . 4673 1 193 . 1 1 28 28 ILE HA H 1 3.62 0.01 . 1 . . . . . . . . 4673 1 194 . 1 1 28 28 ILE HB H 1 1.95 0.01 . 1 . . . . . . . . 4673 1 195 . 1 1 28 28 ILE HG12 H 1 0.59 0.01 . 1 . . . . . . . . 4673 1 196 . 1 1 28 28 ILE HG13 H 1 1.69 0.01 . 1 . . . . . . . . 4673 1 197 . 1 1 28 28 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 198 . 1 1 28 28 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 199 . 1 1 28 28 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 200 . 1 1 28 28 ILE HD11 H 1 0.66 0.01 . 1 . . . . . . . . 4673 1 201 . 1 1 28 28 ILE HD12 H 1 0.66 0.01 . 1 . . . . . . . . 4673 1 202 . 1 1 28 28 ILE HD13 H 1 0.66 0.01 . 1 . . . . . . . . 4673 1 203 . 1 1 29 29 ASP H H 1 8.21 0.01 . 1 . . . . . . . . 4673 1 204 . 1 1 29 29 ASP HA H 1 4.56 0.01 . 1 . . . . . . . . 4673 1 205 . 1 1 29 29 ASP HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4673 1 206 . 1 1 29 29 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 4673 1 207 . 1 1 30 30 LYS H H 1 7.88 0.01 . 1 . . . . . . . . 4673 1 208 . 1 1 30 30 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 4673 1 209 . 1 1 30 30 LYS HB2 H 1 1.89 0.01 . 1 . . . . . . . . 4673 1 210 . 1 1 30 30 LYS HB3 H 1 1.89 0.01 . 1 . . . . . . . . 4673 1 211 . 1 1 30 30 LYS HG2 H 1 1.63 0.01 . 2 . . . . . . . . 4673 1 212 . 1 1 30 30 LYS HG3 H 1 1.52 0.01 . 2 . . . . . . . . 4673 1 213 . 1 1 30 30 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 4673 1 214 . 1 1 30 30 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 4673 1 215 . 1 1 30 30 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 4673 1 216 . 1 1 30 30 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 4673 1 217 . 1 1 31 31 ALA H H 1 7.32 0.01 . 1 . . . . . . . . 4673 1 218 . 1 1 31 31 ALA HA H 1 4.55 0.01 . 1 . . . . . . . . 4673 1 219 . 1 1 31 31 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4673 1 220 . 1 1 31 31 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4673 1 221 . 1 1 31 31 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4673 1 222 . 1 1 32 32 ARG H H 1 7.10 0.01 . 1 . . . . . . . . 4673 1 223 . 1 1 32 32 ARG HA H 1 3.46 0.01 . 1 . . . . . . . . 4673 1 224 . 1 1 32 32 ARG HB2 H 1 1.95 0.01 . 2 . . . . . . . . 4673 1 225 . 1 1 32 32 ARG HB3 H 1 1.78 0.01 . 2 . . . . . . . . 4673 1 226 . 1 1 32 32 ARG HG2 H 1 1.46 0.01 . 1 . . . . . . . . 4673 1 227 . 1 1 32 32 ARG HG3 H 1 1.46 0.01 . 1 . . . . . . . . 4673 1 228 . 1 1 32 32 ARG HD2 H 1 3.40 0.01 . 2 . . . . . . . . 4673 1 229 . 1 1 32 32 ARG HD3 H 1 3.21 0.01 . 2 . . . . . . . . 4673 1 230 . 1 1 32 32 ARG HE H 1 7.74 0.01 . 1 . . . . . . . . 4673 1 231 . 1 1 33 33 ASN H H 1 9.10 0.01 . 1 . . . . . . . . 4673 1 232 . 1 1 33 33 ASN HA H 1 4.38 0.01 . 1 . . . . . . . . 4673 1 233 . 1 1 33 33 ASN HB2 H 1 3.02 0.01 . 2 . . . . . . . . 4673 1 234 . 1 1 33 33 ASN HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4673 1 235 . 1 1 33 33 ASN HD21 H 1 7.60 0.01 . 2 . . . . . . . . 4673 1 236 . 1 1 33 33 ASN HD22 H 1 6.86 0.01 . 2 . . . . . . . . 4673 1 237 . 1 1 34 34 LEU H H 1 7.53 0.01 . 1 . . . . . . . . 4673 1 238 . 1 1 34 34 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 4673 1 239 . 1 1 34 34 LEU HB2 H 1 1.82 0.01 . 2 . . . . . . . . 4673 1 240 . 1 1 34 34 LEU HB3 H 1 1.25 0.01 . 2 . . . . . . . . 4673 1 241 . 1 1 34 34 LEU HG H 1 1.60 0.01 . 1 . . . . . . . . 4673 1 242 . 1 1 34 34 LEU HD11 H 1 1.07 0.01 . 1 . . . . . . . . 4673 1 243 . 1 1 34 34 LEU HD12 H 1 1.07 0.01 . 1 . . . . . . . . 4673 1 244 . 1 1 34 34 LEU HD13 H 1 1.07 0.01 . 1 . . . . . . . . 4673 1 245 . 1 1 34 34 LEU HD21 H 1 0.92 0.01 . 1 . . . . . . . . 4673 1 246 . 1 1 34 34 LEU HD22 H 1 0.92 0.01 . 1 . . . . . . . . 4673 1 247 . 1 1 34 34 LEU HD23 H 1 0.92 0.01 . 1 . . . . . . . . 4673 1 248 . 1 1 35 35 LYS H H 1 8.53 0.01 . 1 . . . . . . . . 4673 1 249 . 1 1 35 35 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 4673 1 250 . 1 1 35 35 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 4673 1 251 . 1 1 35 35 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 4673 1 252 . 1 1 35 35 LYS HG2 H 1 1.52 0.01 . 2 . . . . . . . . 4673 1 253 . 1 1 35 35 LYS HG3 H 1 1.39 0.01 . 2 . . . . . . . . 4673 1 254 . 1 1 35 35 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 4673 1 255 . 1 1 35 35 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 4673 1 256 . 1 1 35 35 LYS HE2 H 1 3.05 0.01 . 1 . . . . . . . . 4673 1 257 . 1 1 35 35 LYS HE3 H 1 3.05 0.01 . 1 . . . . . . . . 4673 1 258 . 1 1 36 36 ILE H H 1 6.76 0.01 . 1 . . . . . . . . 4673 1 259 . 1 1 36 36 ILE HA H 1 4.08 0.01 . 1 . . . . . . . . 4673 1 260 . 1 1 36 36 ILE HB H 1 1.48 0.01 . 1 . . . . . . . . 4673 1 261 . 1 1 36 36 ILE HG12 H 1 1.40 0.01 . 2 . . . . . . . . 4673 1 262 . 1 1 36 36 ILE HG13 H 1 0.51 0.01 . 2 . . . . . . . . 4673 1 263 . 1 1 36 36 ILE HG21 H 1 0.62 0.01 . 1 . . . . . . . . 4673 1 264 . 1 1 36 36 ILE HG22 H 1 0.62 0.01 . 1 . . . . . . . . 4673 1 265 . 1 1 36 36 ILE HG23 H 1 0.62 0.01 . 1 . . . . . . . . 4673 1 266 . 1 1 36 36 ILE HD11 H 1 0.79 0.01 . 1 . . . . . . . . 4673 1 267 . 1 1 36 36 ILE HD12 H 1 0.79 0.01 . 1 . . . . . . . . 4673 1 268 . 1 1 36 36 ILE HD13 H 1 0.79 0.01 . 1 . . . . . . . . 4673 1 269 . 1 1 37 37 ILE H H 1 8.41 0.01 . 1 . . . . . . . . 4673 1 270 . 1 1 37 37 ILE HA H 1 5.26 0.01 . 1 . . . . . . . . 4673 1 271 . 1 1 37 37 ILE HB H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 272 . 1 1 37 37 ILE HG12 H 1 1.69 0.01 . 2 . . . . . . . . 4673 1 273 . 1 1 37 37 ILE HG13 H 1 1.31 0.01 . 2 . . . . . . . . 4673 1 274 . 1 1 37 37 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 275 . 1 1 37 37 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 276 . 1 1 37 37 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 277 . 1 1 37 37 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 278 . 1 1 37 37 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 279 . 1 1 37 37 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 4673 1 280 . 1 1 38 38 SER H H 1 9.37 0.01 . 1 . . . . . . . . 4673 1 281 . 1 1 38 38 SER HA H 1 5.75 0.01 . 1 . . . . . . . . 4673 1 282 . 1 1 38 38 SER HB2 H 1 3.74 0.01 . 2 . . . . . . . . 4673 1 283 . 1 1 38 38 SER HB3 H 1 3.60 0.01 . 2 . . . . . . . . 4673 1 284 . 1 1 38 38 SER HG H 1 6.25 0.01 . 1 . . . . . . . . 4673 1 285 . 1 1 39 39 GLU H H 1 9.24 0.01 . 1 . . . . . . . . 4673 1 286 . 1 1 39 39 GLU HA H 1 5.17 0.01 . 1 . . . . . . . . 4673 1 287 . 1 1 39 39 GLU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4673 1 288 . 1 1 39 39 GLU HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4673 1 289 . 1 1 39 39 GLU HG2 H 1 2.12 0.01 . 2 . . . . . . . . 4673 1 290 . 1 1 39 39 GLU HG3 H 1 2.01 0.01 . 2 . . . . . . . . 4673 1 291 . 1 1 40 40 VAL H H 1 9.22 0.01 . 1 . . . . . . . . 4673 1 292 . 1 1 40 40 VAL HA H 1 4.64 0.01 . 1 . . . . . . . . 4673 1 293 . 1 1 40 40 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 4673 1 294 . 1 1 40 40 VAL HG11 H 1 0.51 0.01 . 2 . . . . . . . . 4673 1 295 . 1 1 40 40 VAL HG12 H 1 0.51 0.01 . 2 . . . . . . . . 4673 1 296 . 1 1 40 40 VAL HG13 H 1 0.51 0.01 . 2 . . . . . . . . 4673 1 297 . 1 1 40 40 VAL HG21 H 1 -0.41 0.01 . 2 . . . . . . . . 4673 1 298 . 1 1 40 40 VAL HG22 H 1 -0.41 0.01 . 2 . . . . . . . . 4673 1 299 . 1 1 40 40 VAL HG23 H 1 -0.41 0.01 . 2 . . . . . . . . 4673 1 300 . 1 1 41 41 LYS H H 1 9.07 0.01 . 1 . . . . . . . . 4673 1 301 . 1 1 41 41 LYS HA H 1 4.55 0.01 . 1 . . . . . . . . 4673 1 302 . 1 1 41 41 LYS HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4673 1 303 . 1 1 41 41 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4673 1 304 . 1 1 41 41 LYS HG2 H 1 1.31 0.01 . 2 . . . . . . . . 4673 1 305 . 1 1 41 41 LYS HG3 H 1 1.29 0.01 . 2 . . . . . . . . 4673 1 306 . 1 1 41 41 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 4673 1 307 . 1 1 41 41 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 4673 1 308 . 1 1 41 41 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 4673 1 309 . 1 1 41 41 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 4673 1 310 . 1 1 42 42 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 4673 1 311 . 1 1 42 42 GLN HA H 1 4.22 0.01 . 1 . . . . . . . . 4673 1 312 . 1 1 42 42 GLN HB2 H 1 1.93 0.01 . 2 . . . . . . . . 4673 1 313 . 1 1 42 42 GLN HB3 H 1 1.86 0.01 . 2 . . . . . . . . 4673 1 314 . 1 1 42 42 GLN HG2 H 1 2.25 0.01 . 2 . . . . . . . . 4673 1 315 . 1 1 42 42 GLN HG3 H 1 2.12 0.01 . 2 . . . . . . . . 4673 1 316 . 1 1 42 42 GLN HE21 H 1 7.47 0.01 . 2 . . . . . . . . 4673 1 317 . 1 1 42 42 GLN HE22 H 1 6.93 0.01 . 2 . . . . . . . . 4673 1 318 . 1 1 43 43 ASP H H 1 8.75 0.01 . 1 . . . . . . . . 4673 1 319 . 1 1 43 43 ASP HA H 1 4.77 0.01 . 1 . . . . . . . . 4673 1 320 . 1 1 43 43 ASP HB2 H 1 2.69 0.01 . 2 . . . . . . . . 4673 1 321 . 1 1 43 43 ASP HB3 H 1 2.38 0.01 . 2 . . . . . . . . 4673 1 322 . 1 1 44 44 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 4673 1 323 . 1 1 44 44 GLY HA2 H 1 4.04 0.01 . 2 . . . . . . . . 4673 1 324 . 1 1 44 44 GLY HA3 H 1 3.62 0.01 . 2 . . . . . . . . 4673 1 325 . 1 1 45 45 GLN H H 1 8.93 0.01 . 1 . . . . . . . . 4673 1 326 . 1 1 45 45 GLN HA H 1 4.50 0.01 . 1 . . . . . . . . 4673 1 327 . 1 1 45 45 GLN HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4673 1 328 . 1 1 45 45 GLN HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4673 1 329 . 1 1 45 45 GLN HG2 H 1 2.53 0.01 . 1 . . . . . . . . 4673 1 330 . 1 1 45 45 GLN HG3 H 1 2.40 0.01 . 1 . . . . . . . . 4673 1 331 . 1 1 45 45 GLN HE21 H 1 7.47 0.01 . 2 . . . . . . . . 4673 1 332 . 1 1 45 45 GLN HE22 H 1 6.78 0.01 . 2 . . . . . . . . 4673 1 333 . 1 1 46 46 ASN H H 1 8.11 0.01 . 1 . . . . . . . . 4673 1 334 . 1 1 46 46 ASN HA H 1 5.36 0.01 . 1 . . . . . . . . 4673 1 335 . 1 1 46 46 ASN HB2 H 1 3.03 0.01 . 1 . . . . . . . . 4673 1 336 . 1 1 46 46 ASN HB3 H 1 2.84 0.01 . 1 . . . . . . . . 4673 1 337 . 1 1 46 46 ASN HD21 H 1 7.62 0.01 . 2 . . . . . . . . 4673 1 338 . 1 1 46 46 ASN HD22 H 1 6.86 0.01 . 2 . . . . . . . . 4673 1 339 . 1 1 47 47 PHE H H 1 9.17 0.01 . 1 . . . . . . . . 4673 1 340 . 1 1 47 47 PHE HA H 1 5.15 0.01 . 1 . . . . . . . . 4673 1 341 . 1 1 47 47 PHE HB2 H 1 2.09 0.01 . 2 . . . . . . . . 4673 1 342 . 1 1 47 47 PHE HB3 H 1 1.62 0.01 . 2 . . . . . . . . 4673 1 343 . 1 1 47 47 PHE HD1 H 1 6.94 0.01 . 1 . . . . . . . . 4673 1 344 . 1 1 47 47 PHE HD2 H 1 6.94 0.01 . 1 . . . . . . . . 4673 1 345 . 1 1 47 47 PHE HE1 H 1 6.94 0.01 . 1 . . . . . . . . 4673 1 346 . 1 1 47 47 PHE HE2 H 1 6.94 0.01 . 1 . . . . . . . . 4673 1 347 . 1 1 47 47 PHE HZ H 1 6.93 0.01 . 1 . . . . . . . . 4673 1 348 . 1 1 48 48 THR H H 1 8.71 0.01 . 1 . . . . . . . . 4673 1 349 . 1 1 48 48 THR HA H 1 4.88 0.01 . 1 . . . . . . . . 4673 1 350 . 1 1 48 48 THR HB H 1 3.98 0.01 . 1 . . . . . . . . 4673 1 351 . 1 1 48 48 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 4673 1 352 . 1 1 48 48 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 4673 1 353 . 1 1 48 48 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 4673 1 354 . 1 1 49 49 TRP H H 1 9.76 0.01 . 1 . . . . . . . . 4673 1 355 . 1 1 49 49 TRP HA H 1 5.18 0.01 . 1 . . . . . . . . 4673 1 356 . 1 1 49 49 TRP HB2 H 1 2.89 0.01 . 1 . . . . . . . . 4673 1 357 . 1 1 49 49 TRP HB3 H 1 3.65 0.01 . 1 . . . . . . . . 4673 1 358 . 1 1 49 49 TRP HD1 H 1 6.92 0.01 . 1 . . . . . . . . 4673 1 359 . 1 1 49 49 TRP HE1 H 1 11.32 0.01 . 1 . . . . . . . . 4673 1 360 . 1 1 49 49 TRP HE3 H 1 7.37 0.01 . 1 . . . . . . . . 4673 1 361 . 1 1 49 49 TRP HZ2 H 1 7.36 0.01 . 1 . . . . . . . . 4673 1 362 . 1 1 49 49 TRP HZ3 H 1 6.40 0.01 . 1 . . . . . . . . 4673 1 363 . 1 1 49 49 TRP HH2 H 1 6.74 0.01 . 1 . . . . . . . . 4673 1 364 . 1 1 50 50 SER H H 1 9.72 0.01 . 1 . . . . . . . . 4673 1 365 . 1 1 50 50 SER HA H 1 6.07 0.01 . 1 . . . . . . . . 4673 1 366 . 1 1 50 50 SER HB2 H 1 4.00 0.01 . 1 . . . . . . . . 4673 1 367 . 1 1 50 50 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 4673 1 368 . 1 1 51 51 GLN H H 1 9.02 0.01 . 1 . . . . . . . . 4673 1 369 . 1 1 51 51 GLN HA H 1 5.25 0.01 . 1 . . . . . . . . 4673 1 370 . 1 1 51 51 GLN HB2 H 1 2.30 0.01 . 1 . . . . . . . . 4673 1 371 . 1 1 51 51 GLN HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4673 1 372 . 1 1 51 51 GLN HG2 H 1 2.52 0.01 . 2 . . . . . . . . 4673 1 373 . 1 1 51 51 GLN HG3 H 1 2.46 0.01 . 2 . . . . . . . . 4673 1 374 . 1 1 51 51 GLN HE21 H 1 8.13 0.01 . 2 . . . . . . . . 4673 1 375 . 1 1 51 51 GLN HE22 H 1 6.62 0.01 . 2 . . . . . . . . 4673 1 376 . 1 1 52 52 GLN H H 1 9.40 0.01 . 1 . . . . . . . . 4673 1 377 . 1 1 52 52 GLN HA H 1 4.90 0.01 . 1 . . . . . . . . 4673 1 378 . 1 1 52 52 GLN HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4673 1 379 . 1 1 52 52 GLN HB3 H 1 2.10 0.01 . 1 . . . . . . . . 4673 1 380 . 1 1 52 52 GLN HG2 H 1 2.33 0.01 . 2 . . . . . . . . 4673 1 381 . 1 1 52 52 GLN HG3 H 1 2.24 0.01 . 2 . . . . . . . . 4673 1 382 . 1 1 52 52 GLN HE21 H 1 7.32 0.01 . 2 . . . . . . . . 4673 1 383 . 1 1 52 52 GLN HE22 H 1 6.72 0.01 . 2 . . . . . . . . 4673 1 384 . 1 1 53 53 TYR H H 1 8.86 0.01 . 1 . . . . . . . . 4673 1 385 . 1 1 53 53 TYR HA H 1 4.79 0.01 . 1 . . . . . . . . 4673 1 386 . 1 1 53 53 TYR HB2 H 1 3.04 0.01 . 1 . . . . . . . . 4673 1 387 . 1 1 53 53 TYR HB3 H 1 3.04 0.01 . 1 . . . . . . . . 4673 1 388 . 1 1 53 53 TYR HD1 H 1 7.12 0.01 . 1 . . . . . . . . 4673 1 389 . 1 1 53 53 TYR HD2 H 1 7.12 0.01 . 1 . . . . . . . . 4673 1 390 . 1 1 53 53 TYR HE1 H 1 6.77 0.01 . 1 . . . . . . . . 4673 1 391 . 1 1 53 53 TYR HE2 H 1 6.77 0.01 . 1 . . . . . . . . 4673 1 392 . 1 1 54 54 PRO HA H 1 4.49 0.01 . 1 . . . . . . . . 4673 1 393 . 1 1 54 54 PRO HB2 H 1 2.48 0.01 . 2 . . . . . . . . 4673 1 394 . 1 1 54 54 PRO HB3 H 1 2.02 0.01 . 2 . . . . . . . . 4673 1 395 . 1 1 54 54 PRO HG2 H 1 2.29 0.01 . 2 . . . . . . . . 4673 1 396 . 1 1 54 54 PRO HG3 H 1 2.16 0.01 . 2 . . . . . . . . 4673 1 397 . 1 1 54 54 PRO HD2 H 1 3.96 0.01 . 2 . . . . . . . . 4673 1 398 . 1 1 54 54 PRO HD3 H 1 3.75 0.01 . 2 . . . . . . . . 4673 1 399 . 1 1 55 55 GLY H H 1 8.86 0.01 . 1 . . . . . . . . 4673 1 400 . 1 1 55 55 GLY HA2 H 1 4.28 0.01 . 2 . . . . . . . . 4673 1 401 . 1 1 55 55 GLY HA3 H 1 3.83 0.01 . 2 . . . . . . . . 4673 1 402 . 1 1 56 56 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 4673 1 403 . 1 1 56 56 GLY HA2 H 1 4.10 0.01 . 2 . . . . . . . . 4673 1 404 . 1 1 56 56 GLY HA3 H 1 3.94 0.01 . 2 . . . . . . . . 4673 1 405 . 1 1 57 57 HIS H H 1 7.75 0.01 . 1 . . . . . . . . 4673 1 406 . 1 1 57 57 HIS HA H 1 4.86 0.01 . 1 . . . . . . . . 4673 1 407 . 1 1 57 57 HIS HB2 H 1 3.06 0.01 . 1 . . . . . . . . 4673 1 408 . 1 1 57 57 HIS HB3 H 1 3.15 0.01 . 1 . . . . . . . . 4673 1 409 . 1 1 57 57 HIS HD2 H 1 7.11 0.01 . 1 . . . . . . . . 4673 1 410 . 1 1 57 57 HIS HE1 H 1 8.34 0.01 . 1 . . . . . . . . 4673 1 411 . 1 1 58 58 SER H H 1 8.45 0.01 . 1 . . . . . . . . 4673 1 412 . 1 1 58 58 SER HA H 1 5.61 0.01 . 1 . . . . . . . . 4673 1 413 . 1 1 58 58 SER HB2 H 1 3.84 0.01 . 2 . . . . . . . . 4673 1 414 . 1 1 58 58 SER HB3 H 1 3.81 0.01 . 2 . . . . . . . . 4673 1 415 . 1 1 59 59 ILE H H 1 8.86 0.01 . 1 . . . . . . . . 4673 1 416 . 1 1 59 59 ILE HA H 1 4.60 0.01 . 1 . . . . . . . . 4673 1 417 . 1 1 59 59 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 4673 1 418 . 1 1 59 59 ILE HG12 H 1 1.51 0.01 . 2 . . . . . . . . 4673 1 419 . 1 1 59 59 ILE HG13 H 1 1.23 0.01 . 2 . . . . . . . . 4673 1 420 . 1 1 59 59 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 4673 1 421 . 1 1 59 59 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 4673 1 422 . 1 1 59 59 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 4673 1 423 . 1 1 59 59 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 4673 1 424 . 1 1 59 59 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 4673 1 425 . 1 1 59 59 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 4673 1 426 . 1 1 60 60 THR H H 1 8.78 0.01 . 1 . . . . . . . . 4673 1 427 . 1 1 60 60 THR HA H 1 5.06 0.01 . 1 . . . . . . . . 4673 1 428 . 1 1 60 60 THR HB H 1 3.95 0.01 . 1 . . . . . . . . 4673 1 429 . 1 1 60 60 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 4673 1 430 . 1 1 60 60 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 4673 1 431 . 1 1 60 60 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 4673 1 432 . 1 1 61 61 ASN H H 1 8.95 0.01 . 1 . . . . . . . . 4673 1 433 . 1 1 61 61 ASN HA H 1 5.39 0.01 . 1 . . . . . . . . 4673 1 434 . 1 1 61 61 ASN HB2 H 1 2.80 0.01 . 1 . . . . . . . . 4673 1 435 . 1 1 61 61 ASN HB3 H 1 2.63 0.01 . 1 . . . . . . . . 4673 1 436 . 1 1 62 62 THR H H 1 8.84 0.01 . 1 . . . . . . . . 4673 1 437 . 1 1 62 62 THR HA H 1 5.44 0.01 . 1 . . . . . . . . 4673 1 438 . 1 1 62 62 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 4673 1 439 . 1 1 62 62 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 4673 1 440 . 1 1 62 62 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 4673 1 441 . 1 1 62 62 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 4673 1 442 . 1 1 63 63 PHE H H 1 8.62 0.01 . 1 . . . . . . . . 4673 1 443 . 1 1 63 63 PHE HA H 1 5.37 0.01 . 1 . . . . . . . . 4673 1 444 . 1 1 63 63 PHE HB2 H 1 3.25 0.01 . 2 . . . . . . . . 4673 1 445 . 1 1 63 63 PHE HB3 H 1 3.08 0.01 . 2 . . . . . . . . 4673 1 446 . 1 1 63 63 PHE HD1 H 1 6.66 0.01 . 1 . . . . . . . . 4673 1 447 . 1 1 63 63 PHE HD2 H 1 6.66 0.01 . 1 . . . . . . . . 4673 1 448 . 1 1 63 63 PHE HE1 H 1 6.58 0.01 . 1 . . . . . . . . 4673 1 449 . 1 1 63 63 PHE HE2 H 1 6.58 0.01 . 1 . . . . . . . . 4673 1 450 . 1 1 63 63 PHE HZ H 1 6.41 0.01 . 1 . . . . . . . . 4673 1 451 . 1 1 64 64 THR H H 1 7.47 0.01 . 1 . . . . . . . . 4673 1 452 . 1 1 64 64 THR HA H 1 5.52 0.01 . 1 . . . . . . . . 4673 1 453 . 1 1 64 64 THR HB H 1 3.66 0.01 . 1 . . . . . . . . 4673 1 454 . 1 1 64 64 THR HG21 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 455 . 1 1 64 64 THR HG22 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 456 . 1 1 64 64 THR HG23 H 1 1.38 0.01 . 1 . . . . . . . . 4673 1 457 . 1 1 65 65 ILE H H 1 8.95 0.01 . 1 . . . . . . . . 4673 1 458 . 1 1 65 65 ILE HA H 1 4.05 0.01 . 1 . . . . . . . . 4673 1 459 . 1 1 65 65 ILE HB H 1 2.27 0.01 . 1 . . . . . . . . 4673 1 460 . 1 1 65 65 ILE HG12 H 1 2.14 0.01 . 1 . . . . . . . . 4673 1 461 . 1 1 65 65 ILE HG13 H 1 1.73 0.01 . 1 . . . . . . . . 4673 1 462 . 1 1 65 65 ILE HG21 H 1 1.13 0.01 . 1 . . . . . . . . 4673 1 463 . 1 1 65 65 ILE HG22 H 1 1.13 0.01 . 1 . . . . . . . . 4673 1 464 . 1 1 65 65 ILE HG23 H 1 1.13 0.01 . 1 . . . . . . . . 4673 1 465 . 1 1 65 65 ILE HD11 H 1 0.77 0.01 . 1 . . . . . . . . 4673 1 466 . 1 1 65 65 ILE HD12 H 1 0.77 0.01 . 1 . . . . . . . . 4673 1 467 . 1 1 65 65 ILE HD13 H 1 0.77 0.01 . 1 . . . . . . . . 4673 1 468 . 1 1 66 66 GLY H H 1 9.19 0.01 . 1 . . . . . . . . 4673 1 469 . 1 1 66 66 GLY HA2 H 1 4.35 0.01 . 2 . . . . . . . . 4673 1 470 . 1 1 66 66 GLY HA3 H 1 3.68 0.01 . 2 . . . . . . . . 4673 1 471 . 1 1 67 67 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 4673 1 472 . 1 1 67 67 LYS HA H 1 4.77 0.01 . 1 . . . . . . . . 4673 1 473 . 1 1 67 67 LYS HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4673 1 474 . 1 1 67 67 LYS HB3 H 1 1.82 0.01 . 2 . . . . . . . . 4673 1 475 . 1 1 67 67 LYS HG2 H 1 1.48 0.01 . 2 . . . . . . . . 4673 1 476 . 1 1 67 67 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 4673 1 477 . 1 1 67 67 LYS HD2 H 1 1.78 0.01 . 2 . . . . . . . . 4673 1 478 . 1 1 67 67 LYS HD3 H 1 1.73 0.01 . 2 . . . . . . . . 4673 1 479 . 1 1 67 67 LYS HE2 H 1 3.10 0.01 . 1 . . . . . . . . 4673 1 480 . 1 1 67 67 LYS HE3 H 1 3.10 0.01 . 1 . . . . . . . . 4673 1 481 . 1 1 68 68 GLU H H 1 8.30 0.01 . 1 . . . . . . . . 4673 1 482 . 1 1 68 68 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 4673 1 483 . 1 1 68 68 GLU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 4673 1 484 . 1 1 68 68 GLU HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 485 . 1 1 68 68 GLU HG2 H 1 2.23 0.01 . 1 . . . . . . . . 4673 1 486 . 1 1 68 68 GLU HG3 H 1 2.23 0.01 . 1 . . . . . . . . 4673 1 487 . 1 1 69 69 CYS H H 1 9.07 0.01 . 1 . . . . . . . . 4673 1 488 . 1 1 69 69 CYS HA H 1 5.29 0.01 . 1 . . . . . . . . 4673 1 489 . 1 1 69 69 CYS HB2 H 1 2.82 0.01 . 1 . . . . . . . . 4673 1 490 . 1 1 69 69 CYS HB3 H 1 3.59 0.01 . 1 . . . . . . . . 4673 1 491 . 1 1 70 70 ASP H H 1 8.60 0.01 . 1 . . . . . . . . 4673 1 492 . 1 1 70 70 ASP HA H 1 5.01 0.01 . 1 . . . . . . . . 4673 1 493 . 1 1 70 70 ASP HB2 H 1 2.64 0.01 . 1 . . . . . . . . 4673 1 494 . 1 1 70 70 ASP HB3 H 1 2.43 0.01 . 1 . . . . . . . . 4673 1 495 . 1 1 71 71 ILE H H 1 9.08 0.01 . 1 . . . . . . . . 4673 1 496 . 1 1 71 71 ILE HA H 1 4.31 0.01 . 1 . . . . . . . . 4673 1 497 . 1 1 71 71 ILE HB H 1 1.43 0.01 . 1 . . . . . . . . 4673 1 498 . 1 1 71 71 ILE HG12 H 1 1.22 0.01 . 2 . . . . . . . . 4673 1 499 . 1 1 71 71 ILE HG13 H 1 1.01 0.01 . 2 . . . . . . . . 4673 1 500 . 1 1 71 71 ILE HG21 H 1 0.56 0.01 . 1 . . . . . . . . 4673 1 501 . 1 1 71 71 ILE HG22 H 1 0.56 0.01 . 1 . . . . . . . . 4673 1 502 . 1 1 71 71 ILE HG23 H 1 0.56 0.01 . 1 . . . . . . . . 4673 1 503 . 1 1 71 71 ILE HD11 H 1 0.42 0.01 . 1 . . . . . . . . 4673 1 504 . 1 1 71 71 ILE HD12 H 1 0.42 0.01 . 1 . . . . . . . . 4673 1 505 . 1 1 71 71 ILE HD13 H 1 0.42 0.01 . 1 . . . . . . . . 4673 1 506 . 1 1 72 72 GLU H H 1 9.19 0.01 . 1 . . . . . . . . 4673 1 507 . 1 1 72 72 GLU HA H 1 5.09 0.01 . 1 . . . . . . . . 4673 1 508 . 1 1 72 72 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4673 1 509 . 1 1 72 72 GLU HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4673 1 510 . 1 1 72 72 GLU HG2 H 1 2.37 0.01 . 2 . . . . . . . . 4673 1 511 . 1 1 72 72 GLU HG3 H 1 2.13 0.01 . 2 . . . . . . . . 4673 1 512 . 1 1 73 73 THR H H 1 8.44 0.01 . 1 . . . . . . . . 4673 1 513 . 1 1 73 73 THR HA H 1 4.73 0.01 . 1 . . . . . . . . 4673 1 514 . 1 1 73 73 THR HB H 1 4.13 0.01 . 1 . . . . . . . . 4673 1 515 . 1 1 73 73 THR HG21 H 1 1.35 0.01 . 1 . . . . . . . . 4673 1 516 . 1 1 73 73 THR HG22 H 1 1.35 0.01 . 1 . . . . . . . . 4673 1 517 . 1 1 73 73 THR HG23 H 1 1.35 0.01 . 1 . . . . . . . . 4673 1 518 . 1 1 74 74 ILE H H 1 8.43 0.01 . 1 . . . . . . . . 4673 1 519 . 1 1 74 74 ILE HA H 1 3.99 0.01 . 1 . . . . . . . . 4673 1 520 . 1 1 74 74 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 4673 1 521 . 1 1 74 74 ILE HG12 H 1 1.34 0.01 . 2 . . . . . . . . 4673 1 522 . 1 1 74 74 ILE HG13 H 1 0.99 0.01 . 2 . . . . . . . . 4673 1 523 . 1 1 74 74 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 4673 1 524 . 1 1 74 74 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 4673 1 525 . 1 1 74 74 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 4673 1 526 . 1 1 74 74 ILE HD11 H 1 0.70 0.01 . 1 . . . . . . . . 4673 1 527 . 1 1 74 74 ILE HD12 H 1 0.70 0.01 . 1 . . . . . . . . 4673 1 528 . 1 1 74 74 ILE HD13 H 1 0.70 0.01 . 1 . . . . . . . . 4673 1 529 . 1 1 75 75 GLY H H 1 8.27 0.01 . 1 . . . . . . . . 4673 1 530 . 1 1 75 75 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 4673 1 531 . 1 1 75 75 GLY HA3 H 1 3.81 0.01 . 2 . . . . . . . . 4673 1 532 . 1 1 76 76 GLY H H 1 8.16 0.01 . 1 . . . . . . . . 4673 1 533 . 1 1 76 76 GLY HA2 H 1 4.18 0.01 . 2 . . . . . . . . 4673 1 534 . 1 1 76 76 GLY HA3 H 1 3.94 0.01 . 2 . . . . . . . . 4673 1 535 . 1 1 77 77 LYS H H 1 7.11 0.01 . 1 . . . . . . . . 4673 1 536 . 1 1 77 77 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 4673 1 537 . 1 1 77 77 LYS HB2 H 1 1.72 0.01 . 2 . . . . . . . . 4673 1 538 . 1 1 77 77 LYS HB3 H 1 1.58 0.01 . 2 . . . . . . . . 4673 1 539 . 1 1 77 77 LYS HG2 H 1 1.29 0.01 . 2 . . . . . . . . 4673 1 540 . 1 1 77 77 LYS HG3 H 1 1.17 0.01 . 2 . . . . . . . . 4673 1 541 . 1 1 77 77 LYS HD2 H 1 1.50 0.01 . 1 . . . . . . . . 4673 1 542 . 1 1 77 77 LYS HD3 H 1 1.50 0.01 . 1 . . . . . . . . 4673 1 543 . 1 1 77 77 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 4673 1 544 . 1 1 77 77 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . 4673 1 545 . 1 1 78 78 LYS H H 1 8.03 0.01 . 1 . . . . . . . . 4673 1 546 . 1 1 78 78 LYS HA H 1 5.22 0.01 . 1 . . . . . . . . 4673 1 547 . 1 1 78 78 LYS HB2 H 1 1.55 0.01 . 1 . . . . . . . . 4673 1 548 . 1 1 78 78 LYS HB3 H 1 1.55 0.01 . 1 . . . . . . . . 4673 1 549 . 1 1 78 78 LYS HG2 H 1 1.35 0.01 . 2 . . . . . . . . 4673 1 550 . 1 1 78 78 LYS HG3 H 1 1.20 0.01 . 2 . . . . . . . . 4673 1 551 . 1 1 78 78 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 4673 1 552 . 1 1 78 78 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 4673 1 553 . 1 1 78 78 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 4673 1 554 . 1 1 78 78 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 4673 1 555 . 1 1 79 79 PHE H H 1 8.50 0.01 . 1 . . . . . . . . 4673 1 556 . 1 1 79 79 PHE HA H 1 4.90 0.01 . 1 . . . . . . . . 4673 1 557 . 1 1 79 79 PHE HB2 H 1 2.98 0.01 . 2 . . . . . . . . 4673 1 558 . 1 1 79 79 PHE HB3 H 1 2.65 0.01 . 2 . . . . . . . . 4673 1 559 . 1 1 79 79 PHE HD1 H 1 6.95 0.01 . 1 . . . . . . . . 4673 1 560 . 1 1 79 79 PHE HD2 H 1 6.95 0.01 . 1 . . . . . . . . 4673 1 561 . 1 1 79 79 PHE HE1 H 1 6.96 0.01 . 1 . . . . . . . . 4673 1 562 . 1 1 79 79 PHE HE2 H 1 6.96 0.01 . 1 . . . . . . . . 4673 1 563 . 1 1 79 79 PHE HZ H 1 6.85 0.01 . 1 . . . . . . . . 4673 1 564 . 1 1 80 80 LYS H H 1 8.44 0.01 . 1 . . . . . . . . 4673 1 565 . 1 1 80 80 LYS HA H 1 4.96 0.01 . 1 . . . . . . . . 4673 1 566 . 1 1 80 80 LYS HB2 H 1 1.76 0.01 . 1 . . . . . . . . 4673 1 567 . 1 1 80 80 LYS HB3 H 1 1.76 0.01 . 1 . . . . . . . . 4673 1 568 . 1 1 80 80 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 4673 1 569 . 1 1 80 80 LYS HG3 H 1 1.39 0.01 . 1 . . . . . . . . 4673 1 570 . 1 1 80 80 LYS HD2 H 1 1.63 0.01 . 2 . . . . . . . . 4673 1 571 . 1 1 80 80 LYS HD3 H 1 1.54 0.01 . 2 . . . . . . . . 4673 1 572 . 1 1 80 80 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 4673 1 573 . 1 1 80 80 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 4673 1 574 . 1 1 81 81 ALA H H 1 8.95 0.01 . 1 . . . . . . . . 4673 1 575 . 1 1 81 81 ALA HA H 1 4.82 0.01 . 1 . . . . . . . . 4673 1 576 . 1 1 81 81 ALA HB1 H 1 1.13 0.01 . 1 . . . . . . . . 4673 1 577 . 1 1 81 81 ALA HB2 H 1 1.13 0.01 . 1 . . . . . . . . 4673 1 578 . 1 1 81 81 ALA HB3 H 1 1.13 0.01 . 1 . . . . . . . . 4673 1 579 . 1 1 82 82 THR H H 1 8.60 0.01 . 1 . . . . . . . . 4673 1 580 . 1 1 82 82 THR HA H 1 4.84 0.01 . 1 . . . . . . . . 4673 1 581 . 1 1 82 82 THR HB H 1 4.08 0.01 . 1 . . . . . . . . 4673 1 582 . 1 1 82 82 THR HG21 H 1 1.01 0.01 . 1 . . . . . . . . 4673 1 583 . 1 1 82 82 THR HG22 H 1 1.01 0.01 . 1 . . . . . . . . 4673 1 584 . 1 1 82 82 THR HG23 H 1 1.01 0.01 . 1 . . . . . . . . 4673 1 585 . 1 1 83 83 VAL HA H 1 4.67 0.01 . 1 . . . . . . . . 4673 1 586 . 1 1 83 83 VAL HB H 1 1.79 0.01 . 1 . . . . . . . . 4673 1 587 . 1 1 83 83 VAL HG11 H 1 0.51 0.01 . 2 . . . . . . . . 4673 1 588 . 1 1 83 83 VAL HG12 H 1 0.51 0.01 . 2 . . . . . . . . 4673 1 589 . 1 1 83 83 VAL HG13 H 1 0.51 0.01 . 2 . . . . . . . . 4673 1 590 . 1 1 83 83 VAL HG21 H 1 0.18 0.01 . 2 . . . . . . . . 4673 1 591 . 1 1 83 83 VAL HG22 H 1 0.18 0.01 . 2 . . . . . . . . 4673 1 592 . 1 1 83 83 VAL HG23 H 1 0.18 0.01 . 2 . . . . . . . . 4673 1 593 . 1 1 84 84 GLN H H 1 8.93 0.01 . 1 . . . . . . . . 4673 1 594 . 1 1 84 84 GLN HA H 1 5.02 0.01 . 1 . . . . . . . . 4673 1 595 . 1 1 84 84 GLN HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4673 1 596 . 1 1 84 84 GLN HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4673 1 597 . 1 1 84 84 GLN HG2 H 1 2.36 0.01 . 2 . . . . . . . . 4673 1 598 . 1 1 84 84 GLN HG3 H 1 2.20 0.01 . 2 . . . . . . . . 4673 1 599 . 1 1 84 84 GLN HE21 H 1 7.38 0.01 . 2 . . . . . . . . 4673 1 600 . 1 1 84 84 GLN HE22 H 1 6.83 0.01 . 2 . . . . . . . . 4673 1 601 . 1 1 85 85 MET H H 1 8.65 0.01 . 1 . . . . . . . . 4673 1 602 . 1 1 85 85 MET HA H 1 5.60 0.01 . 1 . . . . . . . . 4673 1 603 . 1 1 85 85 MET HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4673 1 604 . 1 1 85 85 MET HB3 H 1 1.88 0.01 . 2 . . . . . . . . 4673 1 605 . 1 1 85 85 MET HG2 H 1 2.59 0.01 . 2 . . . . . . . . 4673 1 606 . 1 1 85 85 MET HG3 H 1 2.50 0.01 . 2 . . . . . . . . 4673 1 607 . 1 1 85 85 MET HE1 H 1 2.24 0.01 . 1 . . . . . . . . 4673 1 608 . 1 1 85 85 MET HE2 H 1 2.24 0.01 . 1 . . . . . . . . 4673 1 609 . 1 1 85 85 MET HE3 H 1 2.24 0.01 . 1 . . . . . . . . 4673 1 610 . 1 1 86 86 GLU H H 1 8.97 0.01 . 1 . . . . . . . . 4673 1 611 . 1 1 86 86 GLU HA H 1 4.66 0.01 . 1 . . . . . . . . 4673 1 612 . 1 1 86 86 GLU HB2 H 1 1.97 0.01 . 2 . . . . . . . . 4673 1 613 . 1 1 86 86 GLU HB3 H 1 1.87 0.01 . 2 . . . . . . . . 4673 1 614 . 1 1 86 86 GLU HG2 H 1 2.16 0.01 . 1 . . . . . . . . 4673 1 615 . 1 1 86 86 GLU HG3 H 1 2.16 0.01 . 1 . . . . . . . . 4673 1 616 . 1 1 87 87 GLY H H 1 9.15 0.01 . 1 . . . . . . . . 4673 1 617 . 1 1 87 87 GLY HA2 H 1 3.98 0.01 . 2 . . . . . . . . 4673 1 618 . 1 1 87 87 GLY HA3 H 1 3.84 0.01 . 2 . . . . . . . . 4673 1 619 . 1 1 88 88 GLY H H 1 8.75 0.01 . 1 . . . . . . . . 4673 1 620 . 1 1 88 88 GLY HA2 H 1 4.18 0.01 . 2 . . . . . . . . 4673 1 621 . 1 1 88 88 GLY HA3 H 1 4.05 0.01 . 2 . . . . . . . . 4673 1 622 . 1 1 89 89 LYS H H 1 7.96 0.01 . 1 . . . . . . . . 4673 1 623 . 1 1 89 89 LYS HA H 1 5.19 0.01 . 1 . . . . . . . . 4673 1 624 . 1 1 89 89 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 4673 1 625 . 1 1 89 89 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4673 1 626 . 1 1 89 89 LYS HG2 H 1 1.47 0.01 . 2 . . . . . . . . 4673 1 627 . 1 1 89 89 LYS HG3 H 1 1.31 0.01 . 2 . . . . . . . . 4673 1 628 . 1 1 89 89 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4673 1 629 . 1 1 89 89 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4673 1 630 . 1 1 89 89 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 4673 1 631 . 1 1 89 89 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 4673 1 632 . 1 1 90 90 VAL H H 1 9.03 0.01 . 1 . . . . . . . . 4673 1 633 . 1 1 90 90 VAL HA H 1 4.45 0.01 . 1 . . . . . . . . 4673 1 634 . 1 1 90 90 VAL HB H 1 1.71 0.01 . 1 . . . . . . . . 4673 1 635 . 1 1 90 90 VAL HG11 H 1 0.38 0.01 . 1 . . . . . . . . 4673 1 636 . 1 1 90 90 VAL HG12 H 1 0.38 0.01 . 1 . . . . . . . . 4673 1 637 . 1 1 90 90 VAL HG13 H 1 0.38 0.01 . 1 . . . . . . . . 4673 1 638 . 1 1 90 90 VAL HG21 H 1 0.44 0.01 . 1 . . . . . . . . 4673 1 639 . 1 1 90 90 VAL HG22 H 1 0.44 0.01 . 1 . . . . . . . . 4673 1 640 . 1 1 90 90 VAL HG23 H 1 0.44 0.01 . 1 . . . . . . . . 4673 1 641 . 1 1 91 91 VAL H H 1 8.85 0.01 . 1 . . . . . . . . 4673 1 642 . 1 1 91 91 VAL HA H 1 4.67 0.01 . 1 . . . . . . . . 4673 1 643 . 1 1 91 91 VAL HB H 1 1.73 0.01 . 1 . . . . . . . . 4673 1 644 . 1 1 91 91 VAL HG11 H 1 0.83 0.01 . 2 . . . . . . . . 4673 1 645 . 1 1 91 91 VAL HG12 H 1 0.83 0.01 . 2 . . . . . . . . 4673 1 646 . 1 1 91 91 VAL HG13 H 1 0.83 0.01 . 2 . . . . . . . . 4673 1 647 . 1 1 91 91 VAL HG21 H 1 0.75 0.01 . 2 . . . . . . . . 4673 1 648 . 1 1 91 91 VAL HG22 H 1 0.75 0.01 . 2 . . . . . . . . 4673 1 649 . 1 1 91 91 VAL HG23 H 1 0.75 0.01 . 2 . . . . . . . . 4673 1 650 . 1 1 92 92 VAL H H 1 9.09 0.01 . 1 . . . . . . . . 4673 1 651 . 1 1 92 92 VAL HA H 1 4.38 0.01 . 1 . . . . . . . . 4673 1 652 . 1 1 92 92 VAL HB H 1 1.93 0.01 . 1 . . . . . . . . 4673 1 653 . 1 1 92 92 VAL HG11 H 1 0.77 0.01 . 2 . . . . . . . . 4673 1 654 . 1 1 92 92 VAL HG12 H 1 0.77 0.01 . 2 . . . . . . . . 4673 1 655 . 1 1 92 92 VAL HG13 H 1 0.77 0.01 . 2 . . . . . . . . 4673 1 656 . 1 1 92 92 VAL HG21 H 1 0.57 0.01 . 2 . . . . . . . . 4673 1 657 . 1 1 92 92 VAL HG22 H 1 0.57 0.01 . 2 . . . . . . . . 4673 1 658 . 1 1 92 92 VAL HG23 H 1 0.57 0.01 . 2 . . . . . . . . 4673 1 659 . 1 1 93 93 ASN H H 1 8.86 0.01 . 1 . . . . . . . . 4673 1 660 . 1 1 93 93 ASN HA H 1 5.49 0.01 . 1 . . . . . . . . 4673 1 661 . 1 1 93 93 ASN HB2 H 1 2.59 0.01 . 1 . . . . . . . . 4673 1 662 . 1 1 93 93 ASN HB3 H 1 2.81 0.01 . 1 . . . . . . . . 4673 1 663 . 1 1 93 93 ASN HD21 H 1 7.72 0.01 . 2 . . . . . . . . 4673 1 664 . 1 1 93 93 ASN HD22 H 1 7.02 0.01 . 2 . . . . . . . . 4673 1 665 . 1 1 94 94 SER H H 1 8.60 0.01 . 1 . . . . . . . . 4673 1 666 . 1 1 94 94 SER HA H 1 5.03 0.01 . 1 . . . . . . . . 4673 1 667 . 1 1 94 94 SER HB2 H 1 4.15 0.01 . 2 . . . . . . . . 4673 1 668 . 1 1 94 94 SER HB3 H 1 3.94 0.01 . 2 . . . . . . . . 4673 1 669 . 1 1 95 95 PRO HA H 1 4.32 0.01 . 1 . . . . . . . . 4673 1 670 . 1 1 95 95 PRO HB2 H 1 2.40 0.01 . 2 . . . . . . . . 4673 1 671 . 1 1 95 95 PRO HB3 H 1 1.87 0.01 . 2 . . . . . . . . 4673 1 672 . 1 1 95 95 PRO HG2 H 1 2.19 0.01 . 2 . . . . . . . . 4673 1 673 . 1 1 95 95 PRO HG3 H 1 2.03 0.01 . 2 . . . . . . . . 4673 1 674 . 1 1 95 95 PRO HD2 H 1 3.92 0.01 . 2 . . . . . . . . 4673 1 675 . 1 1 95 95 PRO HD3 H 1 3.81 0.01 . 2 . . . . . . . . 4673 1 676 . 1 1 96 96 ASN H H 1 7.88 0.01 . 1 . . . . . . . . 4673 1 677 . 1 1 96 96 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 4673 1 678 . 1 1 96 96 ASN HB2 H 1 2.79 0.01 . 2 . . . . . . . . 4673 1 679 . 1 1 96 96 ASN HB3 H 1 2.68 0.01 . 2 . . . . . . . . 4673 1 680 . 1 1 96 96 ASN HD21 H 1 7.65 0.01 . 2 . . . . . . . . 4673 1 681 . 1 1 96 96 ASN HD22 H 1 6.86 0.01 . 2 . . . . . . . . 4673 1 682 . 1 1 97 97 TYR H H 1 7.53 0.01 . 1 . . . . . . . . 4673 1 683 . 1 1 97 97 TYR HA H 1 4.77 0.01 . 1 . . . . . . . . 4673 1 684 . 1 1 97 97 TYR HB2 H 1 2.55 0.01 . 2 . . . . . . . . 4673 1 685 . 1 1 97 97 TYR HB3 H 1 2.50 0.01 . 2 . . . . . . . . 4673 1 686 . 1 1 97 97 TYR HD1 H 1 6.74 0.01 . 1 . . . . . . . . 4673 1 687 . 1 1 97 97 TYR HD2 H 1 6.74 0.01 . 1 . . . . . . . . 4673 1 688 . 1 1 97 97 TYR HE1 H 1 6.59 0.01 . 1 . . . . . . . . 4673 1 689 . 1 1 97 97 TYR HE2 H 1 6.59 0.01 . 1 . . . . . . . . 4673 1 690 . 1 1 98 98 HIS H H 1 7.83 0.01 . 1 . . . . . . . . 4673 1 691 . 1 1 98 98 HIS HA H 1 5.39 0.01 . 1 . . . . . . . . 4673 1 692 . 1 1 98 98 HIS HB2 H 1 3.20 0.01 . 1 . . . . . . . . 4673 1 693 . 1 1 98 98 HIS HB3 H 1 3.08 0.01 . 1 . . . . . . . . 4673 1 694 . 1 1 98 98 HIS HD2 H 1 7.34 0.01 . 1 . . . . . . . . 4673 1 695 . 1 1 98 98 HIS HE1 H 1 8.33 0.01 . 1 . . . . . . . . 4673 1 696 . 1 1 99 99 HIS H H 1 8.70 0.01 . 1 . . . . . . . . 4673 1 697 . 1 1 99 99 HIS HA H 1 5.69 0.01 . 1 . . . . . . . . 4673 1 698 . 1 1 99 99 HIS HB2 H 1 2.86 0.01 . 2 . . . . . . . . 4673 1 699 . 1 1 99 99 HIS HB3 H 1 2.65 0.01 . 2 . . . . . . . . 4673 1 700 . 1 1 99 99 HIS HD2 H 1 6.18 0.01 . 1 . . . . . . . . 4673 1 701 . 1 1 99 99 HIS HE1 H 1 7.59 0.01 . 1 . . . . . . . . 4673 1 702 . 1 1 100 100 THR H H 1 8.56 0.01 . 1 . . . . . . . . 4673 1 703 . 1 1 100 100 THR HA H 1 5.44 0.01 . 1 . . . . . . . . 4673 1 704 . 1 1 100 100 THR HB H 1 3.98 0.01 . 1 . . . . . . . . 4673 1 705 . 1 1 100 100 THR HG21 H 1 1.05 0.01 . 1 . . . . . . . . 4673 1 706 . 1 1 100 100 THR HG22 H 1 1.05 0.01 . 1 . . . . . . . . 4673 1 707 . 1 1 100 100 THR HG23 H 1 1.05 0.01 . 1 . . . . . . . . 4673 1 708 . 1 1 101 101 ALA H H 1 8.72 0.01 . 1 . . . . . . . . 4673 1 709 . 1 1 101 101 ALA HA H 1 5.40 0.01 . 1 . . . . . . . . 4673 1 710 . 1 1 101 101 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 4673 1 711 . 1 1 101 101 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4673 1 712 . 1 1 101 101 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4673 1 713 . 1 1 102 102 GLU H H 1 8.88 0.01 . 1 . . . . . . . . 4673 1 714 . 1 1 102 102 GLU HA H 1 4.92 0.01 . 1 . . . . . . . . 4673 1 715 . 1 1 102 102 GLU HB2 H 1 1.97 0.01 . 2 . . . . . . . . 4673 1 716 . 1 1 102 102 GLU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4673 1 717 . 1 1 102 102 GLU HG2 H 1 2.22 0.01 . 2 . . . . . . . . 4673 1 718 . 1 1 102 102 GLU HG3 H 1 2.15 0.01 . 2 . . . . . . . . 4673 1 719 . 1 1 103 103 ILE H H 1 8.43 0.01 . 1 . . . . . . . . 4673 1 720 . 1 1 103 103 ILE HA H 1 5.13 0.01 . 1 . . . . . . . . 4673 1 721 . 1 1 103 103 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 4673 1 722 . 1 1 103 103 ILE HG12 H 1 0.84 0.01 . 2 . . . . . . . . 4673 1 723 . 1 1 103 103 ILE HG13 H 1 0.52 0.01 . 2 . . . . . . . . 4673 1 724 . 1 1 103 103 ILE HG21 H 1 0.67 0.01 . 1 . . . . . . . . 4673 1 725 . 1 1 103 103 ILE HG22 H 1 0.67 0.01 . 1 . . . . . . . . 4673 1 726 . 1 1 103 103 ILE HG23 H 1 0.67 0.01 . 1 . . . . . . . . 4673 1 727 . 1 1 103 103 ILE HD11 H 1 0.43 0.01 . 1 . . . . . . . . 4673 1 728 . 1 1 103 103 ILE HD12 H 1 0.43 0.01 . 1 . . . . . . . . 4673 1 729 . 1 1 103 103 ILE HD13 H 1 0.43 0.01 . 1 . . . . . . . . 4673 1 730 . 1 1 104 104 VAL H H 1 9.14 0.01 . 1 . . . . . . . . 4673 1 731 . 1 1 104 104 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 4673 1 732 . 1 1 104 104 VAL HB H 1 1.88 0.01 . 1 . . . . . . . . 4673 1 733 . 1 1 104 104 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 4673 1 734 . 1 1 104 104 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 4673 1 735 . 1 1 104 104 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 4673 1 736 . 1 1 104 104 VAL HG21 H 1 0.78 0.01 . 2 . . . . . . . . 4673 1 737 . 1 1 104 104 VAL HG22 H 1 0.78 0.01 . 2 . . . . . . . . 4673 1 738 . 1 1 104 104 VAL HG23 H 1 0.78 0.01 . 2 . . . . . . . . 4673 1 739 . 1 1 105 105 ASP H H 1 9.35 0.01 . 1 . . . . . . . . 4673 1 740 . 1 1 105 105 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 4673 1 741 . 1 1 105 105 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4673 1 742 . 1 1 105 105 ASP HB3 H 1 2.59 0.01 . 2 . . . . . . . . 4673 1 743 . 1 1 106 106 GLY H H 1 8.00 0.01 . 1 . . . . . . . . 4673 1 744 . 1 1 106 106 GLY HA2 H 1 3.55 0.01 . 1 . . . . . . . . 4673 1 745 . 1 1 106 106 GLY HA3 H 1 4.17 0.01 . 1 . . . . . . . . 4673 1 746 . 1 1 107 107 LYS H H 1 7.81 0.01 . 1 . . . . . . . . 4673 1 747 . 1 1 107 107 LYS HA H 1 4.81 0.01 . 1 . . . . . . . . 4673 1 748 . 1 1 107 107 LYS HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4673 1 749 . 1 1 107 107 LYS HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4673 1 750 . 1 1 107 107 LYS HG2 H 1 1.51 0.01 . 1 . . . . . . . . 4673 1 751 . 1 1 107 107 LYS HG3 H 1 1.51 0.01 . 1 . . . . . . . . 4673 1 752 . 1 1 107 107 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 4673 1 753 . 1 1 107 107 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 4673 1 754 . 1 1 107 107 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4673 1 755 . 1 1 107 107 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4673 1 756 . 1 1 108 108 LEU H H 1 8.35 0.01 . 1 . . . . . . . . 4673 1 757 . 1 1 108 108 LEU HA H 1 4.61 0.01 . 1 . . . . . . . . 4673 1 758 . 1 1 108 108 LEU HB2 H 1 1.36 0.01 . 2 . . . . . . . . 4673 1 759 . 1 1 108 108 LEU HB3 H 1 0.23 0.01 . 2 . . . . . . . . 4673 1 760 . 1 1 108 108 LEU HG H 1 1.43 0.01 . 1 . . . . . . . . 4673 1 761 . 1 1 108 108 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 4673 1 762 . 1 1 108 108 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 4673 1 763 . 1 1 108 108 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 4673 1 764 . 1 1 108 108 LEU HD21 H 1 0.52 0.01 . 2 . . . . . . . . 4673 1 765 . 1 1 108 108 LEU HD22 H 1 0.52 0.01 . 2 . . . . . . . . 4673 1 766 . 1 1 108 108 LEU HD23 H 1 0.52 0.01 . 2 . . . . . . . . 4673 1 767 . 1 1 109 109 VAL H H 1 9.57 0.01 . 1 . . . . . . . . 4673 1 768 . 1 1 109 109 VAL HA H 1 4.76 0.01 . 1 . . . . . . . . 4673 1 769 . 1 1 109 109 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4673 1 770 . 1 1 109 109 VAL HG11 H 1 0.80 0.01 . 1 . . . . . . . . 4673 1 771 . 1 1 109 109 VAL HG12 H 1 0.80 0.01 . 1 . . . . . . . . 4673 1 772 . 1 1 109 109 VAL HG13 H 1 0.80 0.01 . 1 . . . . . . . . 4673 1 773 . 1 1 109 109 VAL HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4673 1 774 . 1 1 109 109 VAL HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4673 1 775 . 1 1 109 109 VAL HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4673 1 776 . 1 1 110 110 GLU H H 1 9.25 0.01 . 1 . . . . . . . . 4673 1 777 . 1 1 110 110 GLU HA H 1 5.33 0.01 . 1 . . . . . . . . 4673 1 778 . 1 1 110 110 GLU HB2 H 1 2.01 0.01 . 2 . . . . . . . . 4673 1 779 . 1 1 110 110 GLU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4673 1 780 . 1 1 110 110 GLU HG2 H 1 2.21 0.01 . 2 . . . . . . . . 4673 1 781 . 1 1 110 110 GLU HG3 H 1 2.12 0.01 . 2 . . . . . . . . 4673 1 782 . 1 1 111 111 VAL H H 1 8.45 0.01 . 1 . . . . . . . . 4673 1 783 . 1 1 111 111 VAL HA H 1 4.87 0.01 . 1 . . . . . . . . 4673 1 784 . 1 1 111 111 VAL HB H 1 1.92 0.01 . 1 . . . . . . . . 4673 1 785 . 1 1 111 111 VAL HG11 H 1 0.74 0.01 . 2 . . . . . . . . 4673 1 786 . 1 1 111 111 VAL HG12 H 1 0.74 0.01 . 2 . . . . . . . . 4673 1 787 . 1 1 111 111 VAL HG13 H 1 0.74 0.01 . 2 . . . . . . . . 4673 1 788 . 1 1 111 111 VAL HG21 H 1 0.72 0.01 . 2 . . . . . . . . 4673 1 789 . 1 1 111 111 VAL HG22 H 1 0.72 0.01 . 2 . . . . . . . . 4673 1 790 . 1 1 111 111 VAL HG23 H 1 0.72 0.01 . 2 . . . . . . . . 4673 1 791 . 1 1 112 112 SER H H 1 8.81 0.01 . 1 . . . . . . . . 4673 1 792 . 1 1 112 112 SER HA H 1 5.63 0.01 . 1 . . . . . . . . 4673 1 793 . 1 1 112 112 SER HB2 H 1 3.42 0.01 . 1 . . . . . . . . 4673 1 794 . 1 1 112 112 SER HB3 H 1 4.00 0.01 . 1 . . . . . . . . 4673 1 795 . 1 1 113 113 THR H H 1 9.44 0.01 . 1 . . . . . . . . 4673 1 796 . 1 1 113 113 THR HA H 1 5.68 0.01 . 1 . . . . . . . . 4673 1 797 . 1 1 113 113 THR HB H 1 3.79 0.01 . 1 . . . . . . . . 4673 1 798 . 1 1 113 113 THR HG21 H 1 1.01 0.01 . 1 . . . . . . . . 4673 1 799 . 1 1 113 113 THR HG22 H 1 1.01 0.01 . 1 . . . . . . . . 4673 1 800 . 1 1 113 113 THR HG23 H 1 1.01 0.01 . 1 . . . . . . . . 4673 1 801 . 1 1 114 114 VAL H H 1 8.78 0.01 . 1 . . . . . . . . 4673 1 802 . 1 1 114 114 VAL HA H 1 4.35 0.01 . 1 . . . . . . . . 4673 1 803 . 1 1 114 114 VAL HB H 1 1.78 0.01 . 1 . . . . . . . . 4673 1 804 . 1 1 114 114 VAL HG11 H 1 0.85 0.01 . 1 . . . . . . . . 4673 1 805 . 1 1 114 114 VAL HG12 H 1 0.85 0.01 . 1 . . . . . . . . 4673 1 806 . 1 1 114 114 VAL HG13 H 1 0.85 0.01 . 1 . . . . . . . . 4673 1 807 . 1 1 114 114 VAL HG21 H 1 1.09 0.01 . 1 . . . . . . . . 4673 1 808 . 1 1 114 114 VAL HG22 H 1 1.09 0.01 . 1 . . . . . . . . 4673 1 809 . 1 1 114 114 VAL HG23 H 1 1.09 0.01 . 1 . . . . . . . . 4673 1 810 . 1 1 115 115 GLY H H 1 9.06 0.01 . 1 . . . . . . . . 4673 1 811 . 1 1 115 115 GLY HA2 H 1 3.93 0.01 . 2 . . . . . . . . 4673 1 812 . 1 1 115 115 GLY HA3 H 1 3.77 0.01 . 2 . . . . . . . . 4673 1 813 . 1 1 116 116 GLY H H 1 8.46 0.01 . 1 . . . . . . . . 4673 1 814 . 1 1 116 116 GLY HA2 H 1 4.13 0.01 . 2 . . . . . . . . 4673 1 815 . 1 1 116 116 GLY HA3 H 1 3.61 0.01 . 2 . . . . . . . . 4673 1 816 . 1 1 117 117 VAL H H 1 8.10 0.01 . 1 . . . . . . . . 4673 1 817 . 1 1 117 117 VAL HA H 1 4.31 0.01 . 1 . . . . . . . . 4673 1 818 . 1 1 117 117 VAL HB H 1 2.29 0.01 . 1 . . . . . . . . 4673 1 819 . 1 1 117 117 VAL HG11 H 1 1.01 0.01 . 2 . . . . . . . . 4673 1 820 . 1 1 117 117 VAL HG12 H 1 1.01 0.01 . 2 . . . . . . . . 4673 1 821 . 1 1 117 117 VAL HG13 H 1 1.01 0.01 . 2 . . . . . . . . 4673 1 822 . 1 1 117 117 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 4673 1 823 . 1 1 117 117 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 4673 1 824 . 1 1 117 117 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 4673 1 825 . 1 1 118 118 SER H H 1 8.76 0.01 . 1 . . . . . . . . 4673 1 826 . 1 1 118 118 SER HA H 1 5.70 0.01 . 1 . . . . . . . . 4673 1 827 . 1 1 118 118 SER HB2 H 1 3.62 0.01 . 2 . . . . . . . . 4673 1 828 . 1 1 118 118 SER HB3 H 1 3.54 0.01 . 2 . . . . . . . . 4673 1 829 . 1 1 119 119 TYR H H 1 9.11 0.01 . 1 . . . . . . . . 4673 1 830 . 1 1 119 119 TYR HA H 1 5.19 0.01 . 1 . . . . . . . . 4673 1 831 . 1 1 119 119 TYR HB2 H 1 2.55 0.01 . 2 . . . . . . . . 4673 1 832 . 1 1 119 119 TYR HB3 H 1 1.59 0.01 . 2 . . . . . . . . 4673 1 833 . 1 1 119 119 TYR HD1 H 1 6.79 0.01 . 1 . . . . . . . . 4673 1 834 . 1 1 119 119 TYR HD2 H 1 6.79 0.01 . 1 . . . . . . . . 4673 1 835 . 1 1 119 119 TYR HE1 H 1 6.79 0.01 . 1 . . . . . . . . 4673 1 836 . 1 1 119 119 TYR HE2 H 1 6.79 0.01 . 1 . . . . . . . . 4673 1 837 . 1 1 120 120 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 4673 1 838 . 1 1 120 120 GLU HA H 1 5.11 0.01 . 1 . . . . . . . . 4673 1 839 . 1 1 120 120 GLU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4673 1 840 . 1 1 120 120 GLU HB3 H 1 1.84 0.01 . 2 . . . . . . . . 4673 1 841 . 1 1 120 120 GLU HG2 H 1 2.01 0.01 . 1 . . . . . . . . 4673 1 842 . 1 1 120 120 GLU HG3 H 1 2.01 0.01 . 1 . . . . . . . . 4673 1 843 . 1 1 121 121 ARG H H 1 9.09 0.01 . 1 . . . . . . . . 4673 1 844 . 1 1 121 121 ARG HA H 1 5.05 0.01 . 1 . . . . . . . . 4673 1 845 . 1 1 121 121 ARG HB2 H 1 1.82 0.01 . 1 . . . . . . . . 4673 1 846 . 1 1 121 121 ARG HB3 H 1 1.82 0.01 . 1 . . . . . . . . 4673 1 847 . 1 1 121 121 ARG HG2 H 1 1.57 0.01 . 1 . . . . . . . . 4673 1 848 . 1 1 121 121 ARG HG3 H 1 1.57 0.01 . 1 . . . . . . . . 4673 1 849 . 1 1 121 121 ARG HD2 H 1 3.10 0.01 . 1 . . . . . . . . 4673 1 850 . 1 1 121 121 ARG HD3 H 1 3.10 0.01 . 1 . . . . . . . . 4673 1 851 . 1 1 121 121 ARG HE H 1 7.29 0.01 . 1 . . . . . . . . 4673 1 852 . 1 1 122 122 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 4673 1 853 . 1 1 122 122 VAL HA H 1 5.01 0.01 . 1 . . . . . . . . 4673 1 854 . 1 1 122 122 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 4673 1 855 . 1 1 122 122 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 4673 1 856 . 1 1 122 122 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 4673 1 857 . 1 1 122 122 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 4673 1 858 . 1 1 122 122 VAL HG21 H 1 0.93 0.01 . 1 . . . . . . . . 4673 1 859 . 1 1 122 122 VAL HG22 H 1 0.93 0.01 . 1 . . . . . . . . 4673 1 860 . 1 1 122 122 VAL HG23 H 1 0.93 0.01 . 1 . . . . . . . . 4673 1 861 . 1 1 123 123 SER H H 1 9.70 0.01 . 1 . . . . . . . . 4673 1 862 . 1 1 123 123 SER HA H 1 5.39 0.01 . 1 . . . . . . . . 4673 1 863 . 1 1 123 123 SER HB2 H 1 3.82 0.01 . 2 . . . . . . . . 4673 1 864 . 1 1 123 123 SER HB3 H 1 3.74 0.01 . 2 . . . . . . . . 4673 1 865 . 1 1 123 123 SER HG H 1 7.44 0.01 . 1 . . . . . . . . 4673 1 866 . 1 1 124 124 LYS H H 1 8.75 0.01 . 1 . . . . . . . . 4673 1 867 . 1 1 124 124 LYS HA H 1 4.64 0.01 . 1 . . . . . . . . 4673 1 868 . 1 1 124 124 LYS HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4673 1 869 . 1 1 124 124 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4673 1 870 . 1 1 124 124 LYS HG2 H 1 1.37 0.01 . 1 . . . . . . . . 4673 1 871 . 1 1 124 124 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 4673 1 872 . 1 1 124 124 LYS HD2 H 1 1.78 0.01 . 2 . . . . . . . . 4673 1 873 . 1 1 124 124 LYS HD3 H 1 1.65 0.01 . 2 . . . . . . . . 4673 1 874 . 1 1 124 124 LYS HE2 H 1 3.04 0.01 . 2 . . . . . . . . 4673 1 875 . 1 1 124 124 LYS HE3 H 1 2.98 0.01 . 2 . . . . . . . . 4673 1 876 . 1 1 125 125 LYS H H 1 9.06 0.01 . 1 . . . . . . . . 4673 1 877 . 1 1 125 125 LYS HA H 1 4.30 0.01 . 1 . . . . . . . . 4673 1 878 . 1 1 125 125 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 879 . 1 1 125 125 LYS HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4673 1 880 . 1 1 125 125 LYS HG2 H 1 1.20 0.01 . 2 . . . . . . . . 4673 1 881 . 1 1 125 125 LYS HG3 H 1 0.98 0.01 . 2 . . . . . . . . 4673 1 882 . 1 1 125 125 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 4673 1 883 . 1 1 125 125 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 4673 1 884 . 1 1 125 125 LYS HE2 H 1 3.01 0.01 . 2 . . . . . . . . 4673 1 885 . 1 1 125 125 LYS HE3 H 1 2.96 0.01 . 2 . . . . . . . . 4673 1 886 . 1 1 126 126 LEU H H 1 9.17 0.01 . 1 . . . . . . . . 4673 1 887 . 1 1 126 126 LEU HA H 1 4.37 0.01 . 1 . . . . . . . . 4673 1 888 . 1 1 126 126 LEU HB2 H 1 1.39 0.01 . 2 . . . . . . . . 4673 1 889 . 1 1 126 126 LEU HB3 H 1 1.37 0.01 . 2 . . . . . . . . 4673 1 890 . 1 1 126 126 LEU HG H 1 1.58 0.01 . 1 . . . . . . . . 4673 1 891 . 1 1 126 126 LEU HD11 H 1 0.86 0.01 . 1 . . . . . . . . 4673 1 892 . 1 1 126 126 LEU HD12 H 1 0.86 0.01 . 1 . . . . . . . . 4673 1 893 . 1 1 126 126 LEU HD13 H 1 0.86 0.01 . 1 . . . . . . . . 4673 1 894 . 1 1 126 126 LEU HD21 H 1 0.86 0.01 . 1 . . . . . . . . 4673 1 895 . 1 1 126 126 LEU HD22 H 1 0.86 0.01 . 1 . . . . . . . . 4673 1 896 . 1 1 126 126 LEU HD23 H 1 0.86 0.01 . 1 . . . . . . . . 4673 1 897 . 1 1 127 127 ALA H H 1 7.86 0.01 . 1 . . . . . . . . 4673 1 898 . 1 1 127 127 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 4673 1 899 . 1 1 127 127 ALA HB1 H 1 1.30 0.01 . 1 . . . . . . . . 4673 1 900 . 1 1 127 127 ALA HB2 H 1 1.30 0.01 . 1 . . . . . . . . 4673 1 901 . 1 1 127 127 ALA HB3 H 1 1.30 0.01 . 1 . . . . . . . . 4673 1 stop_ save_