data_5309 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5309 _Entry.Title ; 1H, 15N and 13C assignments of FLIN4, an intramolecular LMO4:ldb1 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-04 _Entry.Accession_date 2002-03-04 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Janet Deane . E . 5309 2 Jane Visvader . E . 5309 3 Joel Mackay . P . 5309 4 Jacqueline Matthews . M . 5309 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5309 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 5309 '15N chemical shifts' 116 5309 '1H chemical shifts' 693 5309 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 . . 2002-08-22 2002-03-04 original author . 5309 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1M3V 'BMRB Entry Tracking System' 5309 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5309 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22147551 _Citation.DOI . _Citation.PubMed_ID 12153047 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C assignments of FLIN4, an intramolecular LMO4:ldb1 complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 165 _Citation.Page_last 166 _Citation.Year 2002 _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 Janet Deane . E . 5309 1 2 Jane Visvader . E . 5309 1 3 Joel Mackay . P . 5309 1 4 Jacqueline Matthews . M . 5309 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FLIN4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FLIN4 _Assembly.Entry_ID 5309 _Assembly.ID 1 _Assembly.Name 'Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4' _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 other bound' _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 5309 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 flin4 1 $flin4 . . . native . . . . . 5309 1 2 'Zinc ion, I' 2 $ZN . . . native . . . . . 5309 1 3 'Zinc ion, II' 2 $ZN . . . native . . . . . 5309 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 8 8 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 2 coordination single . 1 . 1 CYS 11 11 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 3 coordination single . 1 . 1 HIS 29 29 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 4 coordination single . 1 . 1 CYS 32 32 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 5 coordination single . 1 . 1 CYS 35 35 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 6 coordination single . 1 . 1 CYS 38 38 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 7 coordination single . 1 . 1 CYS 58 58 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 8 coordination single . 1 . 1 ASP 61 61 OD1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 5309 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID FLIN4 abbreviation 5309 1 'Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4' system 5309 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_flin4 _Entity.Sf_category entity _Entity.Sf_framecode flin4 _Entity.Entry_ID 5309 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'engineered intramolecular protein complex' _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 ; GSLSWKRCAGCGGKIADRFL LYAMDSYWHSRCLKCSSCQA QLGDIGTSSYTKSGMILCRN DYIRLFGNSGAGGSGGHMGS GGDVMVVGEPTLMGGEFGDE DERLITRLENTQFDAANGID DE ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13004 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Protein binds two zinc ions giving total mass of 13134 Daltons. Contains Cys to Ser mutations at residue 37 and residue 49 relative to wildtype LMO4 sequence. Also contains an artificial linker region 72-82 between the LMO4 and ldb1 sequences. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 yes PDB 1M3V . 'Flin4: Fusion Of The Lim Binding Domain Of Ldb1 And The N- Terminal Lim Domain Of Lmo4' . . . . . 100.00 122 100.00 100.00 1.14e-64 . . . . 5309 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'engineered intramolecular protein complex' common 5309 1 Flin4 abbreviation 5309 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 . GLY . 5309 1 2 . SER . 5309 1 3 . LEU . 5309 1 4 . SER . 5309 1 5 . TRP . 5309 1 6 . LYS . 5309 1 7 . ARG . 5309 1 8 . CYS . 5309 1 9 . ALA . 5309 1 10 . GLY . 5309 1 11 . CYS . 5309 1 12 . GLY . 5309 1 13 . GLY . 5309 1 14 . LYS . 5309 1 15 . ILE . 5309 1 16 . ALA . 5309 1 17 . ASP . 5309 1 18 . ARG . 5309 1 19 . PHE . 5309 1 20 . LEU . 5309 1 21 . LEU . 5309 1 22 . TYR . 5309 1 23 . ALA . 5309 1 24 . MET . 5309 1 25 . ASP . 5309 1 26 . SER . 5309 1 27 . TYR . 5309 1 28 . TRP . 5309 1 29 . HIS . 5309 1 30 . SER . 5309 1 31 . ARG . 5309 1 32 . CYS . 5309 1 33 . LEU . 5309 1 34 . LYS . 5309 1 35 . CYS . 5309 1 36 . SER . 5309 1 37 . SER . 5309 1 38 . CYS . 5309 1 39 . GLN . 5309 1 40 . ALA . 5309 1 41 . GLN . 5309 1 42 . LEU . 5309 1 43 . GLY . 5309 1 44 . ASP . 5309 1 45 . ILE . 5309 1 46 . GLY . 5309 1 47 . THR . 5309 1 48 . SER . 5309 1 49 . SER . 5309 1 50 . TYR . 5309 1 51 . THR . 5309 1 52 . LYS . 5309 1 53 . SER . 5309 1 54 . GLY . 5309 1 55 . MET . 5309 1 56 . ILE . 5309 1 57 . LEU . 5309 1 58 . CYS . 5309 1 59 . ARG . 5309 1 60 . ASN . 5309 1 61 . ASP . 5309 1 62 . TYR . 5309 1 63 . ILE . 5309 1 64 . ARG . 5309 1 65 . LEU . 5309 1 66 . PHE . 5309 1 67 . GLY . 5309 1 68 . ASN . 5309 1 69 . SER . 5309 1 70 . GLY . 5309 1 71 . ALA . 5309 1 72 . GLY . 5309 1 73 . GLY . 5309 1 74 . SER . 5309 1 75 . GLY . 5309 1 76 . GLY . 5309 1 77 . HIS . 5309 1 78 . MET . 5309 1 79 . GLY . 5309 1 80 . SER . 5309 1 81 . GLY . 5309 1 82 . GLY . 5309 1 83 . ASP . 5309 1 84 . VAL . 5309 1 85 . MET . 5309 1 86 . VAL . 5309 1 87 . VAL . 5309 1 88 . GLY . 5309 1 89 . GLU . 5309 1 90 . PRO . 5309 1 91 . THR . 5309 1 92 . LEU . 5309 1 93 . MET . 5309 1 94 . GLY . 5309 1 95 . GLY . 5309 1 96 . GLU . 5309 1 97 . PHE . 5309 1 98 . GLY . 5309 1 99 . ASP . 5309 1 100 . GLU . 5309 1 101 . ASP . 5309 1 102 . GLU . 5309 1 103 . ARG . 5309 1 104 . LEU . 5309 1 105 . ILE . 5309 1 106 . THR . 5309 1 107 . ARG . 5309 1 108 . LEU . 5309 1 109 . GLU . 5309 1 110 . ASN . 5309 1 111 . THR . 5309 1 112 . GLN . 5309 1 113 . PHE . 5309 1 114 . ASP . 5309 1 115 . ALA . 5309 1 116 . ALA . 5309 1 117 . ASN . 5309 1 118 . GLY . 5309 1 119 . ILE . 5309 1 120 . ASP . 5309 1 121 . ASP . 5309 1 122 . GLU . 5309 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 . GLY 1 1 5309 1 . SER 2 2 5309 1 . LEU 3 3 5309 1 . SER 4 4 5309 1 . TRP 5 5 5309 1 . LYS 6 6 5309 1 . ARG 7 7 5309 1 . CYS 8 8 5309 1 . ALA 9 9 5309 1 . GLY 10 10 5309 1 . CYS 11 11 5309 1 . GLY 12 12 5309 1 . GLY 13 13 5309 1 . LYS 14 14 5309 1 . ILE 15 15 5309 1 . ALA 16 16 5309 1 . ASP 17 17 5309 1 . ARG 18 18 5309 1 . PHE 19 19 5309 1 . LEU 20 20 5309 1 . LEU 21 21 5309 1 . TYR 22 22 5309 1 . ALA 23 23 5309 1 . MET 24 24 5309 1 . ASP 25 25 5309 1 . SER 26 26 5309 1 . TYR 27 27 5309 1 . TRP 28 28 5309 1 . HIS 29 29 5309 1 . SER 30 30 5309 1 . ARG 31 31 5309 1 . CYS 32 32 5309 1 . LEU 33 33 5309 1 . LYS 34 34 5309 1 . CYS 35 35 5309 1 . SER 36 36 5309 1 . SER 37 37 5309 1 . CYS 38 38 5309 1 . GLN 39 39 5309 1 . ALA 40 40 5309 1 . GLN 41 41 5309 1 . LEU 42 42 5309 1 . GLY 43 43 5309 1 . ASP 44 44 5309 1 . ILE 45 45 5309 1 . GLY 46 46 5309 1 . THR 47 47 5309 1 . SER 48 48 5309 1 . SER 49 49 5309 1 . TYR 50 50 5309 1 . THR 51 51 5309 1 . LYS 52 52 5309 1 . SER 53 53 5309 1 . GLY 54 54 5309 1 . MET 55 55 5309 1 . ILE 56 56 5309 1 . LEU 57 57 5309 1 . CYS 58 58 5309 1 . ARG 59 59 5309 1 . ASN 60 60 5309 1 . ASP 61 61 5309 1 . TYR 62 62 5309 1 . ILE 63 63 5309 1 . ARG 64 64 5309 1 . LEU 65 65 5309 1 . PHE 66 66 5309 1 . GLY 67 67 5309 1 . ASN 68 68 5309 1 . SER 69 69 5309 1 . GLY 70 70 5309 1 . ALA 71 71 5309 1 . GLY 72 72 5309 1 . GLY 73 73 5309 1 . SER 74 74 5309 1 . GLY 75 75 5309 1 . GLY 76 76 5309 1 . HIS 77 77 5309 1 . MET 78 78 5309 1 . GLY 79 79 5309 1 . SER 80 80 5309 1 . GLY 81 81 5309 1 . GLY 82 82 5309 1 . ASP 83 83 5309 1 . VAL 84 84 5309 1 . MET 85 85 5309 1 . VAL 86 86 5309 1 . VAL 87 87 5309 1 . GLY 88 88 5309 1 . GLU 89 89 5309 1 . PRO 90 90 5309 1 . THR 91 91 5309 1 . LEU 92 92 5309 1 . MET 93 93 5309 1 . GLY 94 94 5309 1 . GLY 95 95 5309 1 . GLU 96 96 5309 1 . PHE 97 97 5309 1 . GLY 98 98 5309 1 . ASP 99 99 5309 1 . GLU 100 100 5309 1 . ASP 101 101 5309 1 . GLU 102 102 5309 1 . ARG 103 103 5309 1 . LEU 104 104 5309 1 . ILE 105 105 5309 1 . THR 106 106 5309 1 . ARG 107 107 5309 1 . LEU 108 108 5309 1 . GLU 109 109 5309 1 . ASN 110 110 5309 1 . THR 111 111 5309 1 . GLN 112 112 5309 1 . PHE 113 113 5309 1 . ASP 114 114 5309 1 . ALA 115 115 5309 1 . ALA 116 116 5309 1 . ASN 117 117 5309 1 . GLY 118 118 5309 1 . ILE 119 119 5309 1 . ASP 120 120 5309 1 . ASP 121 121 5309 1 . GLU 122 122 5309 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5309 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 . ZN . 5309 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 5309 _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 $flin4 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . 'Original source mouse but sequences used are identical in human.' . . 5309 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 5309 _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 $flin4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5309 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5309 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _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 ZN _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 . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _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 Jun 15 12:20:01 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 InChI=1S/Zn/q+2 InChI InChI 1.03 5309 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5309 ZN [Zn++] SMILES CACTVS 3.341 5309 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5309 ZN [Zn+2] SMILES ACDLabs 10.04 5309 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5309 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5309 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5309 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5309 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5309 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5309 _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 'engineered intramolecular protein complex' . . . 1 $flin4 . . . 0.3 0.8 mM . . . . 5309 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5309 _Sample.ID 2 _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 'engineered intramolecular protein complex' '[U-95% 15N]' . . 1 $flin4 . . . 0.3 0.8 mM . . . . 5309 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5309 _Sample.ID 3 _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 'engineered intramolecular protein complex' '[U-95% 13C; U-95% 15N]' . . 1 $flin4 . . . 0.3 0.8 mM . . . . 5309 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5309 _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 'ionic strength' 0.22 .02 M 5309 1 pH 7.0 0.2 na 5309 1 temperature 298 0.5 K 5309 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5309 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data aquisition' 5309 1 processing 5309 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5309 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 5309 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5309 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5309 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer BRUKER DMX . 600 . . . 5309 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 5309 _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 TOCSY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 2 '1H NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 3 '1H DQF-COSY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 4 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 5 HNHA . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 6 HNCA . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 7 HN(CO)CA . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 8 HNCACB . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 9 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 10 HNCO . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 11 HN(CA)CO . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 12 CC(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 13 HCC(CO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 14 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 15 15N-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5309 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HCC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5309 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5309 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5309 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5309 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5309 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5309 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H TOCSY' . . . 5309 1 2 '1H NOESY' . . . 5309 1 3 '1H DQF-COSY' . . . 5309 1 4 '1H-15N HSQC' . . . 5309 1 5 HNHA . . . 5309 1 6 HNCA . . . 5309 1 7 HN(CO)CA . . . 5309 1 8 HNCACB . . . 5309 1 9 CBCA(CO)NH . . . 5309 1 10 HNCO . . . 5309 1 11 HN(CA)CO . . . 5309 1 12 CC(CO)NH-TOCSY . . . 5309 1 13 HCC(CO)NH-TOCSY . . . 5309 1 14 HCCH-TOCSY . . . 5309 1 15 15N-NOESY-HSQC . . . 5309 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 GLY CA C 13 44.9 0.1 . 1 . . . . . . . . 5309 1 2 . 1 1 1 1 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5309 1 3 . 1 1 2 2 SER CA C 13 63.0 0.1 . 1 . . . . . . . . 5309 1 4 . 1 1 2 2 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 5309 1 5 . 1 1 2 2 SER CB C 13 70.7 0.1 . 1 . . . . . . . . 5309 1 6 . 1 1 2 2 SER HB2 H 1 3.76 0.02 . 2 . . . . . . . . 5309 1 7 . 1 1 2 2 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 5309 1 8 . 1 1 3 3 LEU CA C 13 55.1 0.1 . 1 . . . . . . . . 5309 1 9 . 1 1 3 3 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5309 1 10 . 1 1 3 3 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 5309 1 11 . 1 1 4 4 SER N N 15 114.6 0.05 . 1 . . . . . . . . 5309 1 12 . 1 1 4 4 SER H H 1 8.06 0.02 . 1 . . . . . . . . 5309 1 13 . 1 1 4 4 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 5309 1 14 . 1 1 4 4 SER HA H 1 4.34 0.02 . 1 . . . . . . . . 5309 1 15 . 1 1 4 4 SER CB C 13 63.5 0.1 . 1 . . . . . . . . 5309 1 16 . 1 1 4 4 SER HB2 H 1 3.68 0.02 . 1 . . . . . . . . 5309 1 17 . 1 1 4 4 SER HB3 H 1 3.68 0.02 . 1 . . . . . . . . 5309 1 18 . 1 1 4 4 SER C C 13 173.8 0.1 . 1 . . . . . . . . 5309 1 19 . 1 1 5 5 TRP N N 15 120.0 0.05 . 1 . . . . . . . . 5309 1 20 . 1 1 5 5 TRP H H 1 7.74 0.02 . 1 . . . . . . . . 5309 1 21 . 1 1 5 5 TRP CA C 13 56.0 0.1 . 1 . . . . . . . . 5309 1 22 . 1 1 5 5 TRP HA H 1 4.64 0.02 . 1 . . . . . . . . 5309 1 23 . 1 1 5 5 TRP CB C 13 30.0 0.1 . 1 . . . . . . . . 5309 1 24 . 1 1 5 5 TRP HB2 H 1 3.15 0.02 . 2 . . . . . . . . 5309 1 25 . 1 1 5 5 TRP HB3 H 1 2.97 0.02 . 2 . . . . . . . . 5309 1 26 . 1 1 5 5 TRP NE1 N 15 128.0 0.05 . 1 . . . . . . . . 5309 1 27 . 1 1 5 5 TRP HD1 H 1 7.20 0.02 . 1 . . . . . . . . 5309 1 28 . 1 1 5 5 TRP HE3 H 1 7.53 0.02 . 1 . . . . . . . . 5309 1 29 . 1 1 5 5 TRP HE1 H 1 10.19 0.02 . 1 . . . . . . . . 5309 1 30 . 1 1 5 5 TRP HZ3 H 1 6.96 0.02 . 1 . . . . . . . . 5309 1 31 . 1 1 5 5 TRP HZ2 H 1 7.45 0.02 . 1 . . . . . . . . 5309 1 32 . 1 1 5 5 TRP HH2 H 1 7.17 0.02 . 1 . . . . . . . . 5309 1 33 . 1 1 5 5 TRP C C 13 176.5 0.1 . 1 . . . . . . . . 5309 1 34 . 1 1 6 6 LYS N N 15 120.4 0.05 . 1 . . . . . . . . 5309 1 35 . 1 1 6 6 LYS H H 1 9.21 0.02 . 1 . . . . . . . . 5309 1 36 . 1 1 6 6 LYS CA C 13 54.5 0.1 . 1 . . . . . . . . 5309 1 37 . 1 1 6 6 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 5309 1 38 . 1 1 6 6 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 5309 1 39 . 1 1 6 6 LYS HB2 H 1 1.45 0.02 . 1 . . . . . . . . 5309 1 40 . 1 1 6 6 LYS HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5309 1 41 . 1 1 6 6 LYS CG C 13 24.1 0.1 . 1 . . . . . . . . 5309 1 42 . 1 1 6 6 LYS HG2 H 1 0.59 0.02 . 1 . . . . . . . . 5309 1 43 . 1 1 6 6 LYS HG3 H 1 0.59 0.02 . 1 . . . . . . . . 5309 1 44 . 1 1 6 6 LYS CD C 13 25.7 0.1 . 1 . . . . . . . . 5309 1 45 . 1 1 6 6 LYS HD2 H 1 1.19 0.02 . 2 . . . . . . . . 5309 1 46 . 1 1 6 6 LYS HD3 H 1 0.96 0.02 . 2 . . . . . . . . 5309 1 47 . 1 1 6 6 LYS CE C 13 41.7 0.1 . 1 . . . . . . . . 5309 1 48 . 1 1 6 6 LYS HE2 H 1 2.44 0.02 . 1 . . . . . . . . 5309 1 49 . 1 1 6 6 LYS HE3 H 1 2.44 0.02 . 1 . . . . . . . . 5309 1 50 . 1 1 6 6 LYS C C 13 175.1 0.1 . 1 . . . . . . . . 5309 1 51 . 1 1 7 7 ARG N N 15 119.4 0.05 . 1 . . . . . . . . 5309 1 52 . 1 1 7 7 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 5309 1 53 . 1 1 7 7 ARG CA C 13 53.5 0.1 . 1 . . . . . . . . 5309 1 54 . 1 1 7 7 ARG HA H 1 4.56 0.02 . 1 . . . . . . . . 5309 1 55 . 1 1 7 7 ARG CB C 13 31.7 0.1 . 1 . . . . . . . . 5309 1 56 . 1 1 7 7 ARG HB2 H 1 1.55 0.02 . 2 . . . . . . . . 5309 1 57 . 1 1 7 7 ARG HB3 H 1 1.43 0.02 . 2 . . . . . . . . 5309 1 58 . 1 1 7 7 ARG CG C 13 27.3 0.1 . 1 . . . . . . . . 5309 1 59 . 1 1 7 7 ARG HG2 H 1 1.28 0.02 . 1 . . . . . . . . 5309 1 60 . 1 1 7 7 ARG HG3 H 1 1.28 0.02 . 1 . . . . . . . . 5309 1 61 . 1 1 7 7 ARG CD C 13 42.8 0.1 . 1 . . . . . . . . 5309 1 62 . 1 1 7 7 ARG HD2 H 1 3.08 0.02 . 1 . . . . . . . . 5309 1 63 . 1 1 7 7 ARG HD3 H 1 3.08 0.02 . 1 . . . . . . . . 5309 1 64 . 1 1 7 7 ARG HE H 1 7.26 0.02 . 1 . . . . . . . . 5309 1 65 . 1 1 7 7 ARG C C 13 174.3 0.1 . 1 . . . . . . . . 5309 1 66 . 1 1 8 8 CYS N N 15 123.2 0.05 . 1 . . . . . . . . 5309 1 67 . 1 1 8 8 CYS H H 1 8.54 0.02 . 1 . . . . . . . . 5309 1 68 . 1 1 8 8 CYS CA C 13 57.7 0.1 . 1 . . . . . . . . 5309 1 69 . 1 1 8 8 CYS HA H 1 4.36 0.02 . 1 . . . . . . . . 5309 1 70 . 1 1 8 8 CYS CB C 13 30.4 0.1 . 1 . . . . . . . . 5309 1 71 . 1 1 8 8 CYS HB2 H 1 3.35 0.02 . 2 . . . . . . . . 5309 1 72 . 1 1 8 8 CYS HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5309 1 73 . 1 1 8 8 CYS C C 13 177.8 0.1 . 1 . . . . . . . . 5309 1 74 . 1 1 9 9 ALA N N 15 131.7 0.05 . 1 . . . . . . . . 5309 1 75 . 1 1 9 9 ALA H H 1 8.74 0.02 . 1 . . . . . . . . 5309 1 76 . 1 1 9 9 ALA CA C 13 53.3 0.1 . 1 . . . . . . . . 5309 1 77 . 1 1 9 9 ALA HA H 1 3.87 0.02 . 1 . . . . . . . . 5309 1 78 . 1 1 9 9 ALA HB1 H 1 0.23 0.02 . 1 . . . . . . . . 5309 1 79 . 1 1 9 9 ALA HB2 H 1 0.23 0.02 . 1 . . . . . . . . 5309 1 80 . 1 1 9 9 ALA HB3 H 1 0.23 0.02 . 1 . . . . . . . . 5309 1 81 . 1 1 9 9 ALA CB C 13 17.2 0.1 . 1 . . . . . . . . 5309 1 82 . 1 1 9 9 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 5309 1 83 . 1 1 10 10 GLY N N 15 110.3 0.05 . 1 . . . . . . . . 5309 1 84 . 1 1 10 10 GLY H H 1 9.12 0.02 . 1 . . . . . . . . 5309 1 85 . 1 1 10 10 GLY CA C 13 46.3 0.1 . 1 . . . . . . . . 5309 1 86 . 1 1 10 10 GLY HA2 H 1 4.30 0.02 . 2 . . . . . . . . 5309 1 87 . 1 1 10 10 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 5309 1 88 . 1 1 10 10 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 5309 1 89 . 1 1 11 11 CYS N N 15 116.8 0.05 . 1 . . . . . . . . 5309 1 90 . 1 1 11 11 CYS H H 1 8.09 0.02 . 1 . . . . . . . . 5309 1 91 . 1 1 11 11 CYS CA C 13 58.0 0.1 . 1 . . . . . . . . 5309 1 92 . 1 1 11 11 CYS HA H 1 5.09 0.02 . 1 . . . . . . . . 5309 1 93 . 1 1 11 11 CYS CB C 13 32.0 0.1 . 1 . . . . . . . . 5309 1 94 . 1 1 11 11 CYS HB2 H 1 3.35 0.02 . 2 . . . . . . . . 5309 1 95 . 1 1 11 11 CYS HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5309 1 96 . 1 1 11 11 CYS C C 13 177.0 0.1 . 1 . . . . . . . . 5309 1 97 . 1 1 12 12 GLY N N 15 112.5 0.05 . 1 . . . . . . . . 5309 1 98 . 1 1 12 12 GLY H H 1 8.13 0.02 . 1 . . . . . . . . 5309 1 99 . 1 1 12 12 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5309 1 100 . 1 1 12 12 GLY HA2 H 1 4.26 0.02 . 2 . . . . . . . . 5309 1 101 . 1 1 12 12 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 5309 1 102 . 1 1 12 12 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 5309 1 103 . 1 1 13 13 GLY N N 15 110.7 0.05 . 1 . . . . . . . . 5309 1 104 . 1 1 13 13 GLY H H 1 9.19 0.02 . 1 . . . . . . . . 5309 1 105 . 1 1 13 13 GLY CA C 13 43.5 0.1 . 1 . . . . . . . . 5309 1 106 . 1 1 13 13 GLY HA2 H 1 4.33 0.02 . 2 . . . . . . . . 5309 1 107 . 1 1 13 13 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 5309 1 108 . 1 1 13 13 GLY C C 13 173.2 0.1 . 1 . . . . . . . . 5309 1 109 . 1 1 14 14 LYS N N 15 118.7 0.05 . 1 . . . . . . . . 5309 1 110 . 1 1 14 14 LYS H H 1 8.55 0.02 . 1 . . . . . . . . 5309 1 111 . 1 1 14 14 LYS CA C 13 57.0 0.1 . 1 . . . . . . . . 5309 1 112 . 1 1 14 14 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5309 1 113 . 1 1 14 14 LYS CB C 13 32.6 0.1 . 1 . . . . . . . . 5309 1 114 . 1 1 14 14 LYS HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5309 1 115 . 1 1 14 14 LYS HB3 H 1 1.20 0.02 . 2 . . . . . . . . 5309 1 116 . 1 1 14 14 LYS CG C 13 24.6 0.1 . 1 . . . . . . . . 5309 1 117 . 1 1 14 14 LYS HG2 H 1 1.01 0.02 . 1 . . . . . . . . 5309 1 118 . 1 1 14 14 LYS HG3 H 1 1.01 0.02 . 1 . . . . . . . . 5309 1 119 . 1 1 14 14 LYS C C 13 177.0 0.1 . 1 . . . . . . . . 5309 1 120 . 1 1 15 15 ILE N N 15 121.5 0.05 . 1 . . . . . . . . 5309 1 121 . 1 1 15 15 ILE H H 1 8.54 0.02 . 1 . . . . . . . . 5309 1 122 . 1 1 15 15 ILE CA C 13 61.3 0.1 . 1 . . . . . . . . 5309 1 123 . 1 1 15 15 ILE HA H 1 3.92 0.02 . 1 . . . . . . . . 5309 1 124 . 1 1 15 15 ILE CB C 13 37.2 0.1 . 1 . . . . . . . . 5309 1 125 . 1 1 15 15 ILE HB H 1 1.56 0.02 . 1 . . . . . . . . 5309 1 126 . 1 1 15 15 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 127 . 1 1 15 15 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 128 . 1 1 15 15 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 129 . 1 1 15 15 ILE CG2 C 13 18.5 0.1 . 1 . . . . . . . . 5309 1 130 . 1 1 15 15 ILE CG1 C 13 26.8 0.1 . 1 . . . . . . . . 5309 1 131 . 1 1 15 15 ILE HG12 H 1 1.27 0.02 . 2 . . . . . . . . 5309 1 132 . 1 1 15 15 ILE HG13 H 1 -0.57 0.02 . 2 . . . . . . . . 5309 1 133 . 1 1 15 15 ILE HD11 H 1 0.41 0.02 . 1 . . . . . . . . 5309 1 134 . 1 1 15 15 ILE HD12 H 1 0.41 0.02 . 1 . . . . . . . . 5309 1 135 . 1 1 15 15 ILE HD13 H 1 0.41 0.02 . 1 . . . . . . . . 5309 1 136 . 1 1 15 15 ILE CD1 C 13 15.0 0.1 . 1 . . . . . . . . 5309 1 137 . 1 1 16 16 ALA N N 15 124.4 0.05 . 1 . . . . . . . . 5309 1 138 . 1 1 16 16 ALA H H 1 7.92 0.02 . 1 . . . . . . . . 5309 1 139 . 1 1 16 16 ALA CA C 13 50.9 0.1 . 1 . . . . . . . . 5309 1 140 . 1 1 16 16 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5309 1 141 . 1 1 16 16 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 142 . 1 1 16 16 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 143 . 1 1 16 16 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 144 . 1 1 16 16 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 5309 1 145 . 1 1 16 16 ALA C C 13 176.0 0.1 . 1 . . . . . . . . 5309 1 146 . 1 1 17 17 ASP N N 15 116.2 0.05 . 1 . . . . . . . . 5309 1 147 . 1 1 17 17 ASP H H 1 6.67 0.02 . 1 . . . . . . . . 5309 1 148 . 1 1 17 17 ASP CA C 13 53.6 0.1 . 1 . . . . . . . . 5309 1 149 . 1 1 17 17 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 5309 1 150 . 1 1 17 17 ASP CB C 13 42.4 0.1 . 1 . . . . . . . . 5309 1 151 . 1 1 17 17 ASP HB2 H 1 3.30 0.02 . 2 . . . . . . . . 5309 1 152 . 1 1 17 17 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5309 1 153 . 1 1 17 17 ASP C C 13 174.7 0.1 . 1 . . . . . . . . 5309 1 154 . 1 1 18 18 ARG N N 15 118.8 0.05 . 1 . . . . . . . . 5309 1 155 . 1 1 18 18 ARG H H 1 8.64 0.02 . 1 . . . . . . . . 5309 1 156 . 1 1 18 18 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 5309 1 157 . 1 1 18 18 ARG HA H 1 3.57 0.02 . 1 . . . . . . . . 5309 1 158 . 1 1 18 18 ARG CB C 13 29.6 0.1 . 1 . . . . . . . . 5309 1 159 . 1 1 18 18 ARG HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5309 1 160 . 1 1 18 18 ARG HB3 H 1 1.26 0.02 . 2 . . . . . . . . 5309 1 161 . 1 1 18 18 ARG CG C 13 26.7 0.1 . 1 . . . . . . . . 5309 1 162 . 1 1 18 18 ARG HG2 H 1 1.06 0.02 . 2 . . . . . . . . 5309 1 163 . 1 1 18 18 ARG HG3 H 1 0.76 0.02 . 2 . . . . . . . . 5309 1 164 . 1 1 18 18 ARG CD C 13 43.0 0.1 . 1 . . . . . . . . 5309 1 165 . 1 1 18 18 ARG HD2 H 1 2.83 0.02 . 1 . . . . . . . . 5309 1 166 . 1 1 18 18 ARG HD3 H 1 2.83 0.02 . 1 . . . . . . . . 5309 1 167 . 1 1 18 18 ARG C C 13 175.1 0.1 . 1 . . . . . . . . 5309 1 168 . 1 1 19 19 PHE N N 15 111.4 0.05 . 1 . . . . . . . . 5309 1 169 . 1 1 19 19 PHE H H 1 7.88 0.02 . 1 . . . . . . . . 5309 1 170 . 1 1 19 19 PHE CA C 13 55.7 0.1 . 1 . . . . . . . . 5309 1 171 . 1 1 19 19 PHE HA H 1 5.39 0.02 . 1 . . . . . . . . 5309 1 172 . 1 1 19 19 PHE CB C 13 41.6 0.1 . 1 . . . . . . . . 5309 1 173 . 1 1 19 19 PHE HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5309 1 174 . 1 1 19 19 PHE HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5309 1 175 . 1 1 19 19 PHE HD1 H 1 7.16 0.02 . 1 . . . . . . . . 5309 1 176 . 1 1 19 19 PHE HD2 H 1 7.16 0.02 . 1 . . . . . . . . 5309 1 177 . 1 1 19 19 PHE HE1 H 1 7.30 0.02 . 1 . . . . . . . . 5309 1 178 . 1 1 19 19 PHE HE2 H 1 7.30 0.02 . 1 . . . . . . . . 5309 1 179 . 1 1 19 19 PHE HZ H 1 7.25 0.02 . 1 . . . . . . . . 5309 1 180 . 1 1 19 19 PHE C C 13 174.0 0.1 . 1 . . . . . . . . 5309 1 181 . 1 1 20 20 LEU N N 15 117.6 0.05 . 1 . . . . . . . . 5309 1 182 . 1 1 20 20 LEU H H 1 9.28 0.02 . 1 . . . . . . . . 5309 1 183 . 1 1 20 20 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5309 1 184 . 1 1 20 20 LEU HA H 1 4.87 0.02 . 1 . . . . . . . . 5309 1 185 . 1 1 20 20 LEU CB C 13 43.8 0.1 . 1 . . . . . . . . 5309 1 186 . 1 1 20 20 LEU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5309 1 187 . 1 1 20 20 LEU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5309 1 188 . 1 1 20 20 LEU CG C 13 26.9 0.1 . 1 . . . . . . . . 5309 1 189 . 1 1 20 20 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5309 1 190 . 1 1 20 20 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 5309 1 191 . 1 1 20 20 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 5309 1 192 . 1 1 20 20 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 5309 1 193 . 1 1 20 20 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 5309 1 194 . 1 1 20 20 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 5309 1 195 . 1 1 20 20 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 5309 1 196 . 1 1 20 20 LEU C C 13 173.9 0.1 . 1 . . . . . . . . 5309 1 197 . 1 1 21 21 LEU N N 15 115.9 0.05 . 1 . . . . . . . . 5309 1 198 . 1 1 21 21 LEU H H 1 8.63 0.02 . 1 . . . . . . . . 5309 1 199 . 1 1 21 21 LEU CA C 13 53.1 0.1 . 1 . . . . . . . . 5309 1 200 . 1 1 21 21 LEU HA H 1 5.60 0.02 . 1 . . . . . . . . 5309 1 201 . 1 1 21 21 LEU CB C 13 44.2 0.1 . 1 . . . . . . . . 5309 1 202 . 1 1 21 21 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5309 1 203 . 1 1 21 21 LEU HB3 H 1 1.19 0.02 . 2 . . . . . . . . 5309 1 204 . 1 1 21 21 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5309 1 205 . 1 1 21 21 LEU HG H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 206 . 1 1 21 21 LEU HD11 H 1 1.64 0.02 . 2 . . . . . . . . 5309 1 207 . 1 1 21 21 LEU HD12 H 1 1.64 0.02 . 2 . . . . . . . . 5309 1 208 . 1 1 21 21 LEU HD13 H 1 1.64 0.02 . 2 . . . . . . . . 5309 1 209 . 1 1 21 21 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 5309 1 210 . 1 1 21 21 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 5309 1 211 . 1 1 21 21 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 5309 1 212 . 1 1 21 21 LEU CD1 C 13 22.7 0.1 . 1 . . . . . . . . 5309 1 213 . 1 1 21 21 LEU C C 13 175.1 0.1 . 1 . . . . . . . . 5309 1 214 . 1 1 22 22 TYR N N 15 121.9 0.05 . 1 . . . . . . . . 5309 1 215 . 1 1 22 22 TYR H H 1 9.36 0.02 . 1 . . . . . . . . 5309 1 216 . 1 1 22 22 TYR CA C 13 55.2 0.1 . 1 . . . . . . . . 5309 1 217 . 1 1 22 22 TYR HA H 1 5.60 0.02 . 1 . . . . . . . . 5309 1 218 . 1 1 22 22 TYR CB C 13 41.0 0.1 . 1 . . . . . . . . 5309 1 219 . 1 1 22 22 TYR HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5309 1 220 . 1 1 22 22 TYR HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5309 1 221 . 1 1 22 22 TYR HD1 H 1 7.22 0.02 . 1 . . . . . . . . 5309 1 222 . 1 1 22 22 TYR HD2 H 1 7.22 0.02 . 1 . . . . . . . . 5309 1 223 . 1 1 22 22 TYR HE1 H 1 6.71 0.02 . 1 . . . . . . . . 5309 1 224 . 1 1 22 22 TYR HE2 H 1 6.71 0.02 . 1 . . . . . . . . 5309 1 225 . 1 1 22 22 TYR C C 13 176.3 0.1 . 1 . . . . . . . . 5309 1 226 . 1 1 23 23 ALA N N 15 126.1 0.05 . 1 . . . . . . . . 5309 1 227 . 1 1 23 23 ALA H H 1 8.97 0.02 . 1 . . . . . . . . 5309 1 228 . 1 1 23 23 ALA CA C 13 51.6 0.1 . 1 . . . . . . . . 5309 1 229 . 1 1 23 23 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 5309 1 230 . 1 1 23 23 ALA HB1 H 1 1.02 0.02 . 1 . . . . . . . . 5309 1 231 . 1 1 23 23 ALA HB2 H 1 1.02 0.02 . 1 . . . . . . . . 5309 1 232 . 1 1 23 23 ALA HB3 H 1 1.02 0.02 . 1 . . . . . . . . 5309 1 233 . 1 1 23 23 ALA CB C 13 21.7 0.1 . 1 . . . . . . . . 5309 1 234 . 1 1 23 23 ALA C C 13 177.0 0.1 . 1 . . . . . . . . 5309 1 235 . 1 1 24 24 MET N N 15 120.3 0.05 . 1 . . . . . . . . 5309 1 236 . 1 1 24 24 MET H H 1 10.04 0.02 . 1 . . . . . . . . 5309 1 237 . 1 1 24 24 MET CA C 13 56.9 0.1 . 1 . . . . . . . . 5309 1 238 . 1 1 24 24 MET HA H 1 3.76 0.02 . 1 . . . . . . . . 5309 1 239 . 1 1 24 24 MET CB C 13 28.6 0.1 . 1 . . . . . . . . 5309 1 240 . 1 1 24 24 MET HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5309 1 241 . 1 1 24 24 MET HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5309 1 242 . 1 1 24 24 MET CG C 13 32.4 0.1 . 1 . . . . . . . . 5309 1 243 . 1 1 24 24 MET HG2 H 1 2.45 0.02 . 1 . . . . . . . . 5309 1 244 . 1 1 24 24 MET HG3 H 1 2.45 0.02 . 1 . . . . . . . . 5309 1 245 . 1 1 24 24 MET C C 13 175.6 0.1 . 1 . . . . . . . . 5309 1 246 . 1 1 25 25 ASP N N 15 110.5 0.05 . 1 . . . . . . . . 5309 1 247 . 1 1 25 25 ASP H H 1 8.49 0.02 . 1 . . . . . . . . 5309 1 248 . 1 1 25 25 ASP CA C 13 55.4 0.1 . 1 . . . . . . . . 5309 1 249 . 1 1 25 25 ASP HA H 1 3.95 0.02 . 1 . . . . . . . . 5309 1 250 . 1 1 25 25 ASP CB C 13 39.4 0.1 . 1 . . . . . . . . 5309 1 251 . 1 1 25 25 ASP HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5309 1 252 . 1 1 25 25 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5309 1 253 . 1 1 25 25 ASP C C 13 174.0 0.1 . 1 . . . . . . . . 5309 1 254 . 1 1 26 26 SER N N 15 111.7 0.05 . 1 . . . . . . . . 5309 1 255 . 1 1 26 26 SER H H 1 7.20 0.02 . 1 . . . . . . . . 5309 1 256 . 1 1 26 26 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5309 1 257 . 1 1 26 26 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 5309 1 258 . 1 1 26 26 SER CB C 13 66.6 0.1 . 1 . . . . . . . . 5309 1 259 . 1 1 26 26 SER HB2 H 1 3.57 0.02 . 2 . . . . . . . . 5309 1 260 . 1 1 26 26 SER HB3 H 1 3.49 0.02 . 2 . . . . . . . . 5309 1 261 . 1 1 26 26 SER C C 13 169.5 0.1 . 1 . . . . . . . . 5309 1 262 . 1 1 27 27 TYR N N 15 118.3 0.05 . 1 . . . . . . . . 5309 1 263 . 1 1 27 27 TYR H H 1 8.58 0.02 . 1 . . . . . . . . 5309 1 264 . 1 1 27 27 TYR CA C 13 57.2 0.1 . 1 . . . . . . . . 5309 1 265 . 1 1 27 27 TYR HA H 1 5.60 0.02 . 1 . . . . . . . . 5309 1 266 . 1 1 27 27 TYR CB C 13 40.4 0.1 . 1 . . . . . . . . 5309 1 267 . 1 1 27 27 TYR HB2 H 1 2.71 0.02 . 1 . . . . . . . . 5309 1 268 . 1 1 27 27 TYR HB3 H 1 2.71 0.02 . 1 . . . . . . . . 5309 1 269 . 1 1 27 27 TYR HD1 H 1 6.38 0.02 . 1 . . . . . . . . 5309 1 270 . 1 1 27 27 TYR HD2 H 1 6.38 0.02 . 1 . . . . . . . . 5309 1 271 . 1 1 27 27 TYR HE1 H 1 6.37 0.02 . 1 . . . . . . . . 5309 1 272 . 1 1 27 27 TYR HE2 H 1 6.37 0.02 . 1 . . . . . . . . 5309 1 273 . 1 1 27 27 TYR C C 13 174.6 0.1 . 1 . . . . . . . . 5309 1 274 . 1 1 28 28 TRP N N 15 115.1 0.05 . 1 . . . . . . . . 5309 1 275 . 1 1 28 28 TRP H H 1 9.13 0.02 . 1 . . . . . . . . 5309 1 276 . 1 1 28 28 TRP CA C 13 56.0 0.1 . 1 . . . . . . . . 5309 1 277 . 1 1 28 28 TRP HA H 1 5.67 0.02 . 1 . . . . . . . . 5309 1 278 . 1 1 28 28 TRP CB C 13 32.2 0.1 . 1 . . . . . . . . 5309 1 279 . 1 1 28 28 TRP HB2 H 1 3.49 0.02 . 2 . . . . . . . . 5309 1 280 . 1 1 28 28 TRP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5309 1 281 . 1 1 28 28 TRP NE1 N 15 127.5 0.05 . 1 . . . . . . . . 5309 1 282 . 1 1 28 28 TRP HD1 H 1 6.95 0.02 . 1 . . . . . . . . 5309 1 283 . 1 1 28 28 TRP HE3 H 1 7.15 0.02 . 1 . . . . . . . . 5309 1 284 . 1 1 28 28 TRP HE1 H 1 9.58 0.02 . 1 . . . . . . . . 5309 1 285 . 1 1 28 28 TRP HZ3 H 1 6.90 0.02 . 1 . . . . . . . . 5309 1 286 . 1 1 28 28 TRP HZ2 H 1 7.12 0.02 . 1 . . . . . . . . 5309 1 287 . 1 1 28 28 TRP HH2 H 1 7.04 0.02 . 1 . . . . . . . . 5309 1 288 . 1 1 28 28 TRP C C 13 179.4 0.1 . 1 . . . . . . . . 5309 1 289 . 1 1 29 29 HIS N N 15 119.6 0.05 . 1 . . . . . . . . 5309 1 290 . 1 1 29 29 HIS H H 1 9.24 0.02 . 1 . . . . . . . . 5309 1 291 . 1 1 29 29 HIS CA C 13 58.8 0.1 . 1 . . . . . . . . 5309 1 292 . 1 1 29 29 HIS HA H 1 5.00 0.02 . 1 . . . . . . . . 5309 1 293 . 1 1 29 29 HIS CB C 13 31.1 0.1 . 1 . . . . . . . . 5309 1 294 . 1 1 29 29 HIS HB2 H 1 3.92 0.02 . 2 . . . . . . . . 5309 1 295 . 1 1 29 29 HIS HB3 H 1 3.54 0.02 . 2 . . . . . . . . 5309 1 296 . 1 1 29 29 HIS HE1 H 1 7.92 0.02 . 1 . . . . . . . . 5309 1 297 . 1 1 29 29 HIS C C 13 179.2 0.1 . 1 . . . . . . . . 5309 1 298 . 1 1 30 30 SER N N 15 120.1 0.05 . 1 . . . . . . . . 5309 1 299 . 1 1 30 30 SER H H 1 9.96 0.02 . 1 . . . . . . . . 5309 1 300 . 1 1 30 30 SER CA C 13 62.0 0.1 . 1 . . . . . . . . 5309 1 301 . 1 1 30 30 SER HA H 1 4.79 0.02 . 1 . . . . . . . . 5309 1 302 . 1 1 30 30 SER HB2 H 1 4.18 0.02 . 2 . . . . . . . . 5309 1 303 . 1 1 30 30 SER HB3 H 1 4.00 0.02 . 2 . . . . . . . . 5309 1 304 . 1 1 30 30 SER C C 13 177.1 0.1 . 1 . . . . . . . . 5309 1 305 . 1 1 31 31 ARG N N 15 110.8 0.05 . 1 . . . . . . . . 5309 1 306 . 1 1 31 31 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 5309 1 307 . 1 1 31 31 ARG CA C 13 56.8 0.1 . 1 . . . . . . . . 5309 1 308 . 1 1 31 31 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 5309 1 309 . 1 1 31 31 ARG CB C 13 29.0 0.1 . 1 . . . . . . . . 5309 1 310 . 1 1 31 31 ARG HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5309 1 311 . 1 1 31 31 ARG HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5309 1 312 . 1 1 31 31 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 5309 1 313 . 1 1 31 31 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5309 1 314 . 1 1 31 31 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5309 1 315 . 1 1 31 31 ARG CD C 13 43.5 0.1 . 1 . . . . . . . . 5309 1 316 . 1 1 31 31 ARG HD2 H 1 3.54 0.02 . 2 . . . . . . . . 5309 1 317 . 1 1 31 31 ARG HD3 H 1 3.10 0.02 . 2 . . . . . . . . 5309 1 318 . 1 1 31 31 ARG C C 13 176.5 0.1 . 1 . . . . . . . . 5309 1 319 . 1 1 32 32 CYS N N 15 115.3 0.05 . 1 . . . . . . . . 5309 1 320 . 1 1 32 32 CYS H H 1 7.61 0.02 . 1 . . . . . . . . 5309 1 321 . 1 1 32 32 CYS CA C 13 61.0 0.1 . 1 . . . . . . . . 5309 1 322 . 1 1 32 32 CYS HA H 1 4.45 0.02 . 1 . . . . . . . . 5309 1 323 . 1 1 32 32 CYS CB C 13 31.9 0.1 . 1 . . . . . . . . 5309 1 324 . 1 1 32 32 CYS HB2 H 1 3.46 0.02 . 2 . . . . . . . . 5309 1 325 . 1 1 32 32 CYS HB3 H 1 3.27 0.02 . 2 . . . . . . . . 5309 1 326 . 1 1 32 32 CYS C C 13 174.9 0.1 . 1 . . . . . . . . 5309 1 327 . 1 1 33 33 LEU N N 15 121.2 0.05 . 1 . . . . . . . . 5309 1 328 . 1 1 33 33 LEU H H 1 6.96 0.02 . 1 . . . . . . . . 5309 1 329 . 1 1 33 33 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5309 1 330 . 1 1 33 33 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5309 1 331 . 1 1 33 33 LEU CB C 13 38.4 0.1 . 1 . . . . . . . . 5309 1 332 . 1 1 33 33 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5309 1 333 . 1 1 33 33 LEU HB3 H 1 0.51 0.02 . 2 . . . . . . . . 5309 1 334 . 1 1 33 33 LEU CG C 13 26.1 0.1 . 1 . . . . . . . . 5309 1 335 . 1 1 33 33 LEU HG H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 336 . 1 1 33 33 LEU HD11 H 1 0.00 0.02 . 2 . . . . . . . . 5309 1 337 . 1 1 33 33 LEU HD12 H 1 0.00 0.02 . 2 . . . . . . . . 5309 1 338 . 1 1 33 33 LEU HD13 H 1 0.00 0.02 . 2 . . . . . . . . 5309 1 339 . 1 1 33 33 LEU HD21 H 1 -0.82 0.02 . 2 . . . . . . . . 5309 1 340 . 1 1 33 33 LEU HD22 H 1 -0.82 0.02 . 2 . . . . . . . . 5309 1 341 . 1 1 33 33 LEU HD23 H 1 -0.82 0.02 . 2 . . . . . . . . 5309 1 342 . 1 1 33 33 LEU CD1 C 13 25.9 0.1 . 1 . . . . . . . . 5309 1 343 . 1 1 33 33 LEU C C 13 173.8 0.1 . 1 . . . . . . . . 5309 1 344 . 1 1 34 34 LYS N N 15 124.9 0.05 . 1 . . . . . . . . 5309 1 345 . 1 1 34 34 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 5309 1 346 . 1 1 34 34 LYS CA C 13 53.9 0.1 . 1 . . . . . . . . 5309 1 347 . 1 1 34 34 LYS HA H 1 5.28 0.02 . 1 . . . . . . . . 5309 1 348 . 1 1 34 34 LYS CB C 13 37.0 0.1 . 1 . . . . . . . . 5309 1 349 . 1 1 34 34 LYS HB2 H 1 1.42 0.02 . 2 . . . . . . . . 5309 1 350 . 1 1 34 34 LYS HB3 H 1 1.26 0.02 . 2 . . . . . . . . 5309 1 351 . 1 1 34 34 LYS CG C 13 24.1 0.1 . 1 . . . . . . . . 5309 1 352 . 1 1 34 34 LYS HG2 H 1 1.11 0.02 . 2 . . . . . . . . 5309 1 353 . 1 1 34 34 LYS HG3 H 1 1.07 0.02 . 2 . . . . . . . . 5309 1 354 . 1 1 34 34 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5309 1 355 . 1 1 34 34 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5309 1 356 . 1 1 34 34 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5309 1 357 . 1 1 34 34 LYS CE C 13 41.4 0.1 . 1 . . . . . . . . 5309 1 358 . 1 1 34 34 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 5309 1 359 . 1 1 34 34 LYS HE3 H 1 3.07 0.02 . 1 . . . . . . . . 5309 1 360 . 1 1 34 34 LYS C C 13 174.6 0.1 . 1 . . . . . . . . 5309 1 361 . 1 1 35 35 CYS N N 15 119.6 0.05 . 1 . . . . . . . . 5309 1 362 . 1 1 35 35 CYS H H 1 8.36 0.02 . 1 . . . . . . . . 5309 1 363 . 1 1 35 35 CYS CA C 13 58.7 0.1 . 1 . . . . . . . . 5309 1 364 . 1 1 35 35 CYS HA H 1 4.48 0.02 . 1 . . . . . . . . 5309 1 365 . 1 1 35 35 CYS CB C 13 31.0 0.1 . 1 . . . . . . . . 5309 1 366 . 1 1 35 35 CYS HB2 H 1 3.43 0.02 . 2 . . . . . . . . 5309 1 367 . 1 1 35 35 CYS HB3 H 1 2.82 0.02 . 2 . . . . . . . . 5309 1 368 . 1 1 35 35 CYS C C 13 177.7 0.1 . 1 . . . . . . . . 5309 1 369 . 1 1 36 36 SER N N 15 125.7 0.05 . 1 . . . . . . . . 5309 1 370 . 1 1 36 36 SER H H 1 10.18 0.02 . 1 . . . . . . . . 5309 1 371 . 1 1 36 36 SER CA C 13 61.7 0.1 . 1 . . . . . . . . 5309 1 372 . 1 1 36 36 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 5309 1 373 . 1 1 36 36 SER CB C 13 64.3 0.1 . 1 . . . . . . . . 5309 1 374 . 1 1 36 36 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 5309 1 375 . 1 1 36 36 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 5309 1 376 . 1 1 36 36 SER C C 13 174.0 0.1 . 1 . . . . . . . . 5309 1 377 . 1 1 37 37 SER N N 15 114.7 0.05 . 1 . . . . . . . . 5309 1 378 . 1 1 37 37 SER H H 1 8.93 0.02 . 1 . . . . . . . . 5309 1 379 . 1 1 37 37 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 5309 1 380 . 1 1 37 37 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 5309 1 381 . 1 1 37 37 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 5309 1 382 . 1 1 37 37 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 5309 1 383 . 1 1 37 37 SER HB3 H 1 3.57 0.02 . 2 . . . . . . . . 5309 1 384 . 1 1 37 37 SER C C 13 175.5 0.1 . 1 . . . . . . . . 5309 1 385 . 1 1 38 38 CYS N N 15 117.1 0.05 . 1 . . . . . . . . 5309 1 386 . 1 1 38 38 CYS H H 1 8.29 0.02 . 1 . . . . . . . . 5309 1 387 . 1 1 38 38 CYS CA C 13 59.1 0.1 . 1 . . . . . . . . 5309 1 388 . 1 1 38 38 CYS HA H 1 4.91 0.02 . 1 . . . . . . . . 5309 1 389 . 1 1 38 38 CYS CB C 13 30.3 0.1 . 1 . . . . . . . . 5309 1 390 . 1 1 38 38 CYS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5309 1 391 . 1 1 38 38 CYS HB3 H 1 3.24 0.02 . 2 . . . . . . . . 5309 1 392 . 1 1 38 38 CYS C C 13 176.5 0.1 . 1 . . . . . . . . 5309 1 393 . 1 1 39 39 GLN N N 15 113.6 0.05 . 1 . . . . . . . . 5309 1 394 . 1 1 39 39 GLN H H 1 7.92 0.02 . 1 . . . . . . . . 5309 1 395 . 1 1 39 39 GLN CA C 13 57.5 0.1 . 1 . . . . . . . . 5309 1 396 . 1 1 39 39 GLN HA H 1 4.15 0.02 . 1 . . . . . . . . 5309 1 397 . 1 1 39 39 GLN CB C 13 25.3 0.1 . 1 . . . . . . . . 5309 1 398 . 1 1 39 39 GLN HB2 H 1 2.48 0.02 . 2 . . . . . . . . 5309 1 399 . 1 1 39 39 GLN HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5309 1 400 . 1 1 39 39 GLN CG C 13 33.4 0.1 . 1 . . . . . . . . 5309 1 401 . 1 1 39 39 GLN HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5309 1 402 . 1 1 39 39 GLN HG3 H 1 2.18 0.02 . 2 . . . . . . . . 5309 1 403 . 1 1 39 39 GLN HE21 H 1 7.14 0.02 . 2 . . . . . . . . 5309 1 404 . 1 1 39 39 GLN HE22 H 1 6.69 0.02 . 2 . . . . . . . . 5309 1 405 . 1 1 39 39 GLN C C 13 173.8 0.1 . 1 . . . . . . . . 5309 1 406 . 1 1 40 40 ALA N N 15 121.5 0.05 . 1 . . . . . . . . 5309 1 407 . 1 1 40 40 ALA H H 1 8.58 0.02 . 1 . . . . . . . . 5309 1 408 . 1 1 40 40 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5309 1 409 . 1 1 40 40 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 5309 1 410 . 1 1 40 40 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5309 1 411 . 1 1 40 40 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5309 1 412 . 1 1 40 40 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5309 1 413 . 1 1 40 40 ALA CB C 13 19.9 0.1 . 1 . . . . . . . . 5309 1 414 . 1 1 40 40 ALA C C 13 177.9 0.1 . 1 . . . . . . . . 5309 1 415 . 1 1 41 41 GLN N N 15 118.1 0.05 . 1 . . . . . . . . 5309 1 416 . 1 1 41 41 GLN H H 1 8.72 0.02 . 1 . . . . . . . . 5309 1 417 . 1 1 41 41 GLN CA C 13 56.5 0.1 . 1 . . . . . . . . 5309 1 418 . 1 1 41 41 GLN HA H 1 4.23 0.02 . 1 . . . . . . . . 5309 1 419 . 1 1 41 41 GLN CB C 13 26.1 0.1 . 1 . . . . . . . . 5309 1 420 . 1 1 41 41 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5309 1 421 . 1 1 41 41 GLN HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5309 1 422 . 1 1 41 41 GLN HG2 H 1 2.49 0.02 . 2 . . . . . . . . 5309 1 423 . 1 1 41 41 GLN HG3 H 1 2.28 0.02 . 2 . . . . . . . . 5309 1 424 . 1 1 41 41 GLN HE21 H 1 7.53 0.02 . 2 . . . . . . . . 5309 1 425 . 1 1 41 41 GLN HE22 H 1 6.85 0.02 . 2 . . . . . . . . 5309 1 426 . 1 1 41 41 GLN C C 13 176.7 0.1 . 1 . . . . . . . . 5309 1 427 . 1 1 42 42 LEU N N 15 125.0 0.05 . 1 . . . . . . . . 5309 1 428 . 1 1 42 42 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5309 1 429 . 1 1 42 42 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 5309 1 430 . 1 1 42 42 LEU HA H 1 3.79 0.02 . 1 . . . . . . . . 5309 1 431 . 1 1 42 42 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 5309 1 432 . 1 1 42 42 LEU HB2 H 1 1.16 0.02 . 2 . . . . . . . . 5309 1 433 . 1 1 42 42 LEU HB3 H 1 1.09 0.02 . 2 . . . . . . . . 5309 1 434 . 1 1 42 42 LEU CG C 13 26.6 0.1 . 1 . . . . . . . . 5309 1 435 . 1 1 42 42 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 5309 1 436 . 1 1 42 42 LEU HD11 H 1 0.76 0.02 . 2 . . . . . . . . 5309 1 437 . 1 1 42 42 LEU HD12 H 1 0.76 0.02 . 2 . . . . . . . . 5309 1 438 . 1 1 42 42 LEU HD13 H 1 0.76 0.02 . 2 . . . . . . . . 5309 1 439 . 1 1 42 42 LEU HD21 H 1 0.41 0.02 . 2 . . . . . . . . 5309 1 440 . 1 1 42 42 LEU HD22 H 1 0.41 0.02 . 2 . . . . . . . . 5309 1 441 . 1 1 42 42 LEU HD23 H 1 0.41 0.02 . 2 . . . . . . . . 5309 1 442 . 1 1 42 42 LEU CD1 C 13 26.3 0.1 . 1 . . . . . . . . 5309 1 443 . 1 1 42 42 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 5309 1 444 . 1 1 43 43 GLY N N 15 103.6 0.05 . 1 . . . . . . . . 5309 1 445 . 1 1 43 43 GLY H H 1 9.80 0.02 . 1 . . . . . . . . 5309 1 446 . 1 1 43 43 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5309 1 447 . 1 1 43 43 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 5309 1 448 . 1 1 43 43 GLY HA3 H 1 3.61 0.02 . 2 . . . . . . . . 5309 1 449 . 1 1 43 43 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5309 1 450 . 1 1 44 44 ASP N N 15 115.8 0.05 . 1 . . . . . . . . 5309 1 451 . 1 1 44 44 ASP H H 1 7.56 0.02 . 1 . . . . . . . . 5309 1 452 . 1 1 44 44 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 5309 1 453 . 1 1 44 44 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 5309 1 454 . 1 1 44 44 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . 5309 1 455 . 1 1 44 44 ASP HB2 H 1 2.78 0.02 . 1 . . . . . . . . 5309 1 456 . 1 1 44 44 ASP HB3 H 1 2.78 0.02 . 1 . . . . . . . . 5309 1 457 . 1 1 44 44 ASP C C 13 177.6 0.1 . 1 . . . . . . . . 5309 1 458 . 1 1 45 45 ILE N N 15 109.8 0.05 . 1 . . . . . . . . 5309 1 459 . 1 1 45 45 ILE H H 1 7.12 0.02 . 1 . . . . . . . . 5309 1 460 . 1 1 45 45 ILE CA C 13 61.2 0.1 . 1 . . . . . . . . 5309 1 461 . 1 1 45 45 ILE HA H 1 4.51 0.02 . 1 . . . . . . . . 5309 1 462 . 1 1 45 45 ILE CB C 13 38.9 0.1 . 1 . . . . . . . . 5309 1 463 . 1 1 45 45 ILE HB H 1 2.16 0.02 . 1 . . . . . . . . 5309 1 464 . 1 1 45 45 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 5309 1 465 . 1 1 45 45 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 5309 1 466 . 1 1 45 45 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 5309 1 467 . 1 1 45 45 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 5309 1 468 . 1 1 45 45 ILE CG1 C 13 25.8 0.1 . 1 . . . . . . . . 5309 1 469 . 1 1 45 45 ILE HG12 H 1 1.41 0.02 . 2 . . . . . . . . 5309 1 470 . 1 1 45 45 ILE HG13 H 1 1.21 0.02 . 2 . . . . . . . . 5309 1 471 . 1 1 45 45 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 472 . 1 1 45 45 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 473 . 1 1 45 45 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5309 1 474 . 1 1 45 45 ILE CD1 C 13 14.2 0.1 . 1 . . . . . . . . 5309 1 475 . 1 1 45 45 ILE C C 13 175.7 0.1 . 1 . . . . . . . . 5309 1 476 . 1 1 46 46 GLY N N 15 108.6 0.05 . 1 . . . . . . . . 5309 1 477 . 1 1 46 46 GLY H H 1 7.64 0.02 . 1 . . . . . . . . 5309 1 478 . 1 1 46 46 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5309 1 479 . 1 1 46 46 GLY HA2 H 1 4.29 0.02 . 2 . . . . . . . . 5309 1 480 . 1 1 46 46 GLY HA3 H 1 4.21 0.02 . 2 . . . . . . . . 5309 1 481 . 1 1 46 46 GLY C C 13 172.0 0.1 . 1 . . . . . . . . 5309 1 482 . 1 1 47 47 THR N N 15 105.4 0.05 . 1 . . . . . . . . 5309 1 483 . 1 1 47 47 THR H H 1 8.34 0.02 . 1 . . . . . . . . 5309 1 484 . 1 1 47 47 THR CA C 13 60.5 0.1 . 1 . . . . . . . . 5309 1 485 . 1 1 47 47 THR HA H 1 4.51 0.02 . 1 . . . . . . . . 5309 1 486 . 1 1 47 47 THR CB C 13 69.2 0.1 . 1 . . . . . . . . 5309 1 487 . 1 1 47 47 THR HB H 1 4.66 0.02 . 1 . . . . . . . . 5309 1 488 . 1 1 47 47 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 489 . 1 1 47 47 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 490 . 1 1 47 47 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 491 . 1 1 47 47 THR CG2 C 13 21.3 0.1 . 1 . . . . . . . . 5309 1 492 . 1 1 47 47 THR C C 13 173.7 0.1 . 1 . . . . . . . . 5309 1 493 . 1 1 48 48 SER N N 15 113.2 0.05 . 1 . . . . . . . . 5309 1 494 . 1 1 48 48 SER H H 1 7.75 0.02 . 1 . . . . . . . . 5309 1 495 . 1 1 48 48 SER CA C 13 57.1 0.1 . 1 . . . . . . . . 5309 1 496 . 1 1 48 48 SER HA H 1 5.05 0.02 . 1 . . . . . . . . 5309 1 497 . 1 1 48 48 SER CB C 13 66.2 0.1 . 1 . . . . . . . . 5309 1 498 . 1 1 48 48 SER HB2 H 1 3.67 0.02 . 2 . . . . . . . . 5309 1 499 . 1 1 48 48 SER HB3 H 1 3.57 0.02 . 2 . . . . . . . . 5309 1 500 . 1 1 48 48 SER C C 13 172.1 0.1 . 1 . . . . . . . . 5309 1 501 . 1 1 49 49 SER N N 15 113.5 0.05 . 1 . . . . . . . . 5309 1 502 . 1 1 49 49 SER H H 1 8.67 0.02 . 1 . . . . . . . . 5309 1 503 . 1 1 49 49 SER CA C 13 56.4 0.1 . 1 . . . . . . . . 5309 1 504 . 1 1 49 49 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 5309 1 505 . 1 1 49 49 SER CB C 13 67.3 0.1 . 1 . . . . . . . . 5309 1 506 . 1 1 49 49 SER HB2 H 1 3.50 0.02 . 2 . . . . . . . . 5309 1 507 . 1 1 49 49 SER HB3 H 1 3.37 0.02 . 2 . . . . . . . . 5309 1 508 . 1 1 49 49 SER C C 13 170.8 0.1 . 1 . . . . . . . . 5309 1 509 . 1 1 50 50 TYR N N 15 117.3 0.05 . 1 . . . . . . . . 5309 1 510 . 1 1 50 50 TYR H H 1 8.85 0.02 . 1 . . . . . . . . 5309 1 511 . 1 1 50 50 TYR CA C 13 56.7 0.1 . 1 . . . . . . . . 5309 1 512 . 1 1 50 50 TYR HA H 1 5.06 0.02 . 1 . . . . . . . . 5309 1 513 . 1 1 50 50 TYR CB C 13 41.7 0.1 . 1 . . . . . . . . 5309 1 514 . 1 1 50 50 TYR HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5309 1 515 . 1 1 50 50 TYR HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5309 1 516 . 1 1 50 50 TYR HD1 H 1 6.45 0.02 . 1 . . . . . . . . 5309 1 517 . 1 1 50 50 TYR HD2 H 1 6.45 0.02 . 1 . . . . . . . . 5309 1 518 . 1 1 50 50 TYR HE1 H 1 6.18 0.02 . 1 . . . . . . . . 5309 1 519 . 1 1 50 50 TYR HE2 H 1 6.18 0.02 . 1 . . . . . . . . 5309 1 520 . 1 1 50 50 TYR C C 13 175.5 0.1 . 1 . . . . . . . . 5309 1 521 . 1 1 51 51 THR N N 15 112.7 0.05 . 1 . . . . . . . . 5309 1 522 . 1 1 51 51 THR H H 1 8.57 0.02 . 1 . . . . . . . . 5309 1 523 . 1 1 51 51 THR CA C 13 57.5 0.1 . 1 . . . . . . . . 5309 1 524 . 1 1 51 51 THR HA H 1 5.42 0.02 . 1 . . . . . . . . 5309 1 525 . 1 1 51 51 THR CB C 13 70.5 0.1 . 1 . . . . . . . . 5309 1 526 . 1 1 51 51 THR HB H 1 3.99 0.02 . 1 . . . . . . . . 5309 1 527 . 1 1 51 51 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5309 1 528 . 1 1 51 51 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5309 1 529 . 1 1 51 51 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5309 1 530 . 1 1 51 51 THR CG2 C 13 19.9 0.1 . 1 . . . . . . . . 5309 1 531 . 1 1 51 51 THR C C 13 172.6 0.1 . 1 . . . . . . . . 5309 1 532 . 1 1 52 52 LYS N N 15 123.2 0.05 . 1 . . . . . . . . 5309 1 533 . 1 1 52 52 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 5309 1 534 . 1 1 52 52 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 5309 1 535 . 1 1 52 52 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 5309 1 536 . 1 1 52 52 LYS CB C 13 35.4 0.1 . 1 . . . . . . . . 5309 1 537 . 1 1 52 52 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5309 1 538 . 1 1 52 52 LYS HB3 H 1 1.26 0.02 . 2 . . . . . . . . 5309 1 539 . 1 1 52 52 LYS CG C 13 23.9 0.1 . 1 . . . . . . . . 5309 1 540 . 1 1 52 52 LYS HG2 H 1 0.95 0.02 . 2 . . . . . . . . 5309 1 541 . 1 1 52 52 LYS HG3 H 1 0.49 0.02 . 2 . . . . . . . . 5309 1 542 . 1 1 52 52 LYS CD C 13 28.0 0.1 . 1 . . . . . . . . 5309 1 543 . 1 1 52 52 LYS HD2 H 1 1.45 0.02 . 2 . . . . . . . . 5309 1 544 . 1 1 52 52 LYS HD3 H 1 0.83 0.02 . 2 . . . . . . . . 5309 1 545 . 1 1 52 52 LYS CE C 13 41.7 0.1 . 1 . . . . . . . . 5309 1 546 . 1 1 52 52 LYS HE2 H 1 2.58 0.02 . 1 . . . . . . . . 5309 1 547 . 1 1 52 52 LYS HE3 H 1 2.58 0.02 . 1 . . . . . . . . 5309 1 548 . 1 1 53 53 SER N N 15 111.8 0.05 . 1 . . . . . . . . 5309 1 549 . 1 1 53 53 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 5309 1 550 . 1 1 53 53 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 5309 1 551 . 1 1 53 53 SER CB C 13 62.3 0.1 . 1 . . . . . . . . 5309 1 552 . 1 1 53 53 SER HB2 H 1 3.83 0.02 . 1 . . . . . . . . 5309 1 553 . 1 1 53 53 SER HB3 H 1 3.83 0.02 . 1 . . . . . . . . 5309 1 554 . 1 1 53 53 SER C C 13 174.6 0.1 . 1 . . . . . . . . 5309 1 555 . 1 1 54 54 GLY N N 15 104.1 0.05 . 1 . . . . . . . . 5309 1 556 . 1 1 54 54 GLY H H 1 8.73 0.02 . 1 . . . . . . . . 5309 1 557 . 1 1 54 54 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5309 1 558 . 1 1 54 54 GLY HA2 H 1 4.15 0.02 . 2 . . . . . . . . 5309 1 559 . 1 1 54 54 GLY HA3 H 1 3.65 0.02 . 2 . . . . . . . . 5309 1 560 . 1 1 54 54 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 5309 1 561 . 1 1 55 55 MET N N 15 118.2 0.05 . 1 . . . . . . . . 5309 1 562 . 1 1 55 55 MET H H 1 8.11 0.02 . 1 . . . . . . . . 5309 1 563 . 1 1 55 55 MET CA C 13 55.0 0.1 . 1 . . . . . . . . 5309 1 564 . 1 1 55 55 MET HA H 1 4.63 0.02 . 1 . . . . . . . . 5309 1 565 . 1 1 55 55 MET CB C 13 35.2 0.1 . 1 . . . . . . . . 5309 1 566 . 1 1 55 55 MET HB2 H 1 2.39 0.02 . 2 . . . . . . . . 5309 1 567 . 1 1 55 55 MET HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5309 1 568 . 1 1 55 55 MET CG C 13 31.9 0.1 . 1 . . . . . . . . 5309 1 569 . 1 1 55 55 MET HG2 H 1 2.63 0.02 . 2 . . . . . . . . 5309 1 570 . 1 1 55 55 MET HG3 H 1 2.58 0.02 . 2 . . . . . . . . 5309 1 571 . 1 1 55 55 MET HE1 H 1 2.23 0.02 . 1 . . . . . . . . 5309 1 572 . 1 1 55 55 MET HE2 H 1 2.23 0.02 . 1 . . . . . . . . 5309 1 573 . 1 1 55 55 MET HE3 H 1 2.23 0.02 . 1 . . . . . . . . 5309 1 574 . 1 1 55 55 MET C C 13 175.2 0.1 . 1 . . . . . . . . 5309 1 575 . 1 1 56 56 ILE N N 15 122.5 0.05 . 1 . . . . . . . . 5309 1 576 . 1 1 56 56 ILE H H 1 8.33 0.02 . 1 . . . . . . . . 5309 1 577 . 1 1 56 56 ILE CA C 13 61.0 0.1 . 1 . . . . . . . . 5309 1 578 . 1 1 56 56 ILE HA H 1 4.63 0.02 . 1 . . . . . . . . 5309 1 579 . 1 1 56 56 ILE CB C 13 38.6 0.1 . 1 . . . . . . . . 5309 1 580 . 1 1 56 56 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5309 1 581 . 1 1 56 56 ILE HG21 H 1 0.60 0.02 . 1 . . . . . . . . 5309 1 582 . 1 1 56 56 ILE HG22 H 1 0.60 0.02 . 1 . . . . . . . . 5309 1 583 . 1 1 56 56 ILE HG23 H 1 0.60 0.02 . 1 . . . . . . . . 5309 1 584 . 1 1 56 56 ILE CG2 C 13 17.7 0.1 . 1 . . . . . . . . 5309 1 585 . 1 1 56 56 ILE CG1 C 13 26.9 0.1 . 1 . . . . . . . . 5309 1 586 . 1 1 56 56 ILE HG12 H 1 1.62 0.02 . 1 . . . . . . . . 5309 1 587 . 1 1 56 56 ILE HG13 H 1 1.62 0.02 . 1 . . . . . . . . 5309 1 588 . 1 1 56 56 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5309 1 589 . 1 1 56 56 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5309 1 590 . 1 1 56 56 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5309 1 591 . 1 1 56 56 ILE CD1 C 13 14.2 0.1 . 1 . . . . . . . . 5309 1 592 . 1 1 56 56 ILE C C 13 175.3 0.1 . 1 . . . . . . . . 5309 1 593 . 1 1 57 57 LEU N N 15 125.8 0.05 . 1 . . . . . . . . 5309 1 594 . 1 1 57 57 LEU H H 1 9.57 0.02 . 1 . . . . . . . . 5309 1 595 . 1 1 57 57 LEU CA C 13 53.4 0.1 . 1 . . . . . . . . 5309 1 596 . 1 1 57 57 LEU HA H 1 6.17 0.02 . 1 . . . . . . . . 5309 1 597 . 1 1 57 57 LEU CB C 13 48.2 0.1 . 1 . . . . . . . . 5309 1 598 . 1 1 57 57 LEU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5309 1 599 . 1 1 57 57 LEU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5309 1 600 . 1 1 57 57 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5309 1 601 . 1 1 57 57 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5309 1 602 . 1 1 57 57 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 5309 1 603 . 1 1 57 57 LEU HD11 H 1 1.16 0.02 . 1 . . . . . . . . 5309 1 604 . 1 1 57 57 LEU HD12 H 1 1.16 0.02 . 1 . . . . . . . . 5309 1 605 . 1 1 57 57 LEU HD13 H 1 1.16 0.02 . 1 . . . . . . . . 5309 1 606 . 1 1 57 57 LEU HD21 H 1 1.16 0.02 . 1 . . . . . . . . 5309 1 607 . 1 1 57 57 LEU HD22 H 1 1.16 0.02 . 1 . . . . . . . . 5309 1 608 . 1 1 57 57 LEU HD23 H 1 1.16 0.02 . 1 . . . . . . . . 5309 1 609 . 1 1 57 57 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 5309 1 610 . 1 1 58 58 CYS N N 15 117.1 0.05 . 1 . . . . . . . . 5309 1 611 . 1 1 58 58 CYS H H 1 8.93 0.02 . 1 . . . . . . . . 5309 1 612 . 1 1 58 58 CYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5309 1 613 . 1 1 58 58 CYS HA H 1 4.81 0.02 . 1 . . . . . . . . 5309 1 614 . 1 1 58 58 CYS CB C 13 30.5 0.1 . 1 . . . . . . . . 5309 1 615 . 1 1 58 58 CYS HB2 H 1 3.48 0.02 . 2 . . . . . . . . 5309 1 616 . 1 1 58 58 CYS HB3 H 1 2.82 0.02 . 2 . . . . . . . . 5309 1 617 . 1 1 58 58 CYS C C 13 174.8 0.1 . 1 . . . . . . . . 5309 1 618 . 1 1 59 59 ARG N N 15 119.4 0.05 . 1 . . . . . . . . 5309 1 619 . 1 1 59 59 ARG H H 1 8.88 0.02 . 1 . . . . . . . . 5309 1 620 . 1 1 59 59 ARG CA C 13 60.1 0.1 . 1 . . . . . . . . 5309 1 621 . 1 1 59 59 ARG HA H 1 3.47 0.02 . 1 . . . . . . . . 5309 1 622 . 1 1 59 59 ARG CB C 13 29.4 0.1 . 1 . . . . . . . . 5309 1 623 . 1 1 59 59 ARG HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5309 1 624 . 1 1 59 59 ARG HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5309 1 625 . 1 1 59 59 ARG CG C 13 26.8 0.1 . 1 . . . . . . . . 5309 1 626 . 1 1 59 59 ARG HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5309 1 627 . 1 1 59 59 ARG HG3 H 1 1.35 0.02 . 2 . . . . . . . . 5309 1 628 . 1 1 59 59 ARG CD C 13 43.5 0.1 . 1 . . . . . . . . 5309 1 629 . 1 1 59 59 ARG HD2 H 1 3.19 0.02 . 1 . . . . . . . . 5309 1 630 . 1 1 59 59 ARG HD3 H 1 3.19 0.02 . 1 . . . . . . . . 5309 1 631 . 1 1 59 59 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 5309 1 632 . 1 1 60 60 ASN N N 15 113.9 0.05 . 1 . . . . . . . . 5309 1 633 . 1 1 60 60 ASN H H 1 8.35 0.02 . 1 . . . . . . . . 5309 1 634 . 1 1 60 60 ASN CA C 13 56.7 0.1 . 1 . . . . . . . . 5309 1 635 . 1 1 60 60 ASN HA H 1 4.35 0.02 . 1 . . . . . . . . 5309 1 636 . 1 1 60 60 ASN CB C 13 37.6 0.1 . 1 . . . . . . . . 5309 1 637 . 1 1 60 60 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5309 1 638 . 1 1 60 60 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5309 1 639 . 1 1 60 60 ASN HD21 H 1 7.72 0.02 . 2 . . . . . . . . 5309 1 640 . 1 1 60 60 ASN HD22 H 1 6.98 0.02 . 2 . . . . . . . . 5309 1 641 . 1 1 60 60 ASN C C 13 178.5 0.1 . 1 . . . . . . . . 5309 1 642 . 1 1 61 61 ASP N N 15 119.9 0.05 . 1 . . . . . . . . 5309 1 643 . 1 1 61 61 ASP H H 1 9.12 0.02 . 1 . . . . . . . . 5309 1 644 . 1 1 61 61 ASP CA C 13 58.6 0.1 . 1 . . . . . . . . 5309 1 645 . 1 1 61 61 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 5309 1 646 . 1 1 61 61 ASP CB C 13 41.1 0.1 . 1 . . . . . . . . 5309 1 647 . 1 1 61 61 ASP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5309 1 648 . 1 1 61 61 ASP HB3 H 1 2.54 0.02 . 2 . . . . . . . . 5309 1 649 . 1 1 61 61 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 5309 1 650 . 1 1 62 62 TYR N N 15 121.3 0.05 . 1 . . . . . . . . 5309 1 651 . 1 1 62 62 TYR H H 1 8.83 0.02 . 1 . . . . . . . . 5309 1 652 . 1 1 62 62 TYR CA C 13 62.7 0.1 . 1 . . . . . . . . 5309 1 653 . 1 1 62 62 TYR HA H 1 4.13 0.02 . 1 . . . . . . . . 5309 1 654 . 1 1 62 62 TYR CB C 13 37.7 0.1 . 1 . . . . . . . . 5309 1 655 . 1 1 62 62 TYR HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5309 1 656 . 1 1 62 62 TYR HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5309 1 657 . 1 1 62 62 TYR HD1 H 1 6.52 0.02 . 1 . . . . . . . . 5309 1 658 . 1 1 62 62 TYR HD2 H 1 6.52 0.02 . 1 . . . . . . . . 5309 1 659 . 1 1 62 62 TYR HE1 H 1 6.41 0.02 . 1 . . . . . . . . 5309 1 660 . 1 1 62 62 TYR HE2 H 1 6.41 0.02 . 1 . . . . . . . . 5309 1 661 . 1 1 62 62 TYR C C 13 177.0 0.1 . 1 . . . . . . . . 5309 1 662 . 1 1 63 63 ILE N N 15 117.2 0.05 . 1 . . . . . . . . 5309 1 663 . 1 1 63 63 ILE H H 1 8.41 0.02 . 1 . . . . . . . . 5309 1 664 . 1 1 63 63 ILE CA C 13 64.0 0.1 . 1 . . . . . . . . 5309 1 665 . 1 1 63 63 ILE HA H 1 3.38 0.02 . 1 . . . . . . . . 5309 1 666 . 1 1 63 63 ILE CB C 13 36.8 0.1 . 1 . . . . . . . . 5309 1 667 . 1 1 63 63 ILE HB H 1 1.88 0.02 . 1 . . . . . . . . 5309 1 668 . 1 1 63 63 ILE HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5309 1 669 . 1 1 63 63 ILE HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5309 1 670 . 1 1 63 63 ILE HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5309 1 671 . 1 1 63 63 ILE CG1 C 13 31.5 0.1 . 1 . . . . . . . . 5309 1 672 . 1 1 63 63 ILE HG12 H 1 1.71 0.02 . 1 . . . . . . . . 5309 1 673 . 1 1 63 63 ILE HG13 H 1 1.71 0.02 . 1 . . . . . . . . 5309 1 674 . 1 1 63 63 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 5309 1 675 . 1 1 63 63 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 5309 1 676 . 1 1 63 63 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 5309 1 677 . 1 1 63 63 ILE CD1 C 13 16.7 0.1 . 1 . . . . . . . . 5309 1 678 . 1 1 63 63 ILE C C 13 178.8 0.1 . 1 . . . . . . . . 5309 1 679 . 1 1 64 64 ARG N N 15 119.0 0.05 . 1 . . . . . . . . 5309 1 680 . 1 1 64 64 ARG H H 1 7.83 0.02 . 1 . . . . . . . . 5309 1 681 . 1 1 64 64 ARG CA C 13 59.2 0.1 . 1 . . . . . . . . 5309 1 682 . 1 1 64 64 ARG HA H 1 3.90 0.02 . 1 . . . . . . . . 5309 1 683 . 1 1 64 64 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5309 1 684 . 1 1 64 64 ARG HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5309 1 685 . 1 1 64 64 ARG HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5309 1 686 . 1 1 64 64 ARG CG C 13 26.9 0.1 . 1 . . . . . . . . 5309 1 687 . 1 1 64 64 ARG HG2 H 1 1.57 0.02 . 2 . . . . . . . . 5309 1 688 . 1 1 64 64 ARG HG3 H 1 1.39 0.02 . 2 . . . . . . . . 5309 1 689 . 1 1 64 64 ARG CD C 13 43.5 0.1 . 1 . . . . . . . . 5309 1 690 . 1 1 64 64 ARG HD2 H 1 3.06 0.02 . 1 . . . . . . . . 5309 1 691 . 1 1 64 64 ARG HD3 H 1 3.06 0.02 . 1 . . . . . . . . 5309 1 692 . 1 1 64 64 ARG C C 13 178.0 0.1 . 1 . . . . . . . . 5309 1 693 . 1 1 65 65 LEU N N 15 114.7 0.05 . 1 . . . . . . . . 5309 1 694 . 1 1 65 65 LEU H H 1 7.87 0.02 . 1 . . . . . . . . 5309 1 695 . 1 1 65 65 LEU CA C 13 56.8 0.1 . 1 . . . . . . . . 5309 1 696 . 1 1 65 65 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 5309 1 697 . 1 1 65 65 LEU CB C 13 43.2 0.1 . 1 . . . . . . . . 5309 1 698 . 1 1 65 65 LEU HB2 H 1 1.31 0.02 . 2 . . . . . . . . 5309 1 699 . 1 1 65 65 LEU HB3 H 1 0.20 0.02 . 2 . . . . . . . . 5309 1 700 . 1 1 65 65 LEU CG C 13 31.9 0.1 . 1 . . . . . . . . 5309 1 701 . 1 1 65 65 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 5309 1 702 . 1 1 65 65 LEU HD11 H 1 0.70 0.02 . 2 . . . . . . . . 5309 1 703 . 1 1 65 65 LEU HD12 H 1 0.70 0.02 . 2 . . . . . . . . 5309 1 704 . 1 1 65 65 LEU HD13 H 1 0.70 0.02 . 2 . . . . . . . . 5309 1 705 . 1 1 65 65 LEU HD21 H 1 0.63 0.02 . 2 . . . . . . . . 5309 1 706 . 1 1 65 65 LEU HD22 H 1 0.63 0.02 . 2 . . . . . . . . 5309 1 707 . 1 1 65 65 LEU HD23 H 1 0.63 0.02 . 2 . . . . . . . . 5309 1 708 . 1 1 65 65 LEU CD1 C 13 22.7 0.1 . 1 . . . . . . . . 5309 1 709 . 1 1 65 65 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 5309 1 710 . 1 1 66 66 PHE N N 15 113.0 0.05 . 1 . . . . . . . . 5309 1 711 . 1 1 66 66 PHE H H 1 8.10 0.02 . 1 . . . . . . . . 5309 1 712 . 1 1 66 66 PHE CA C 13 57.7 0.1 . 1 . . . . . . . . 5309 1 713 . 1 1 66 66 PHE HA H 1 4.69 0.02 . 1 . . . . . . . . 5309 1 714 . 1 1 66 66 PHE CB C 13 39.2 0.1 . 1 . . . . . . . . 5309 1 715 . 1 1 66 66 PHE HB2 H 1 3.04 0.02 . 2 . . . . . . . . 5309 1 716 . 1 1 66 66 PHE HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5309 1 717 . 1 1 66 66 PHE HD1 H 1 7.01 0.02 . 1 . . . . . . . . 5309 1 718 . 1 1 66 66 PHE HD2 H 1 7.01 0.02 . 1 . . . . . . . . 5309 1 719 . 1 1 66 66 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 5309 1 720 . 1 1 66 66 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 5309 1 721 . 1 1 66 66 PHE HZ H 1 7.10 0.02 . 1 . . . . . . . . 5309 1 722 . 1 1 66 66 PHE C C 13 176.2 0.1 . 1 . . . . . . . . 5309 1 723 . 1 1 67 67 GLY N N 15 108.0 0.05 . 1 . . . . . . . . 5309 1 724 . 1 1 67 67 GLY H H 1 7.97 0.02 . 1 . . . . . . . . 5309 1 725 . 1 1 67 67 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5309 1 726 . 1 1 67 67 GLY HA2 H 1 3.97 0.02 . 2 . . . . . . . . 5309 1 727 . 1 1 67 67 GLY HA3 H 1 3.75 0.02 . 2 . . . . . . . . 5309 1 728 . 1 1 67 67 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 5309 1 729 . 1 1 68 68 ASN N N 15 116.4 0.05 . 1 . . . . . . . . 5309 1 730 . 1 1 68 68 ASN H H 1 8.29 0.02 . 1 . . . . . . . . 5309 1 731 . 1 1 68 68 ASN CA C 13 53.0 0.1 . 1 . . . . . . . . 5309 1 732 . 1 1 68 68 ASN CB C 13 38.6 0.1 . 1 . . . . . . . . 5309 1 733 . 1 1 68 68 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5309 1 734 . 1 1 68 68 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5309 1 735 . 1 1 68 68 ASN HD21 H 1 7.56 0.02 . 2 . . . . . . . . 5309 1 736 . 1 1 68 68 ASN HD22 H 1 6.84 0.02 . 2 . . . . . . . . 5309 1 737 . 1 1 69 69 SER N N 15 114.7 0.05 . 1 . . . . . . . . 5309 1 738 . 1 1 69 69 SER CA C 13 59.0 0.1 . 1 . . . . . . . . 5309 1 739 . 1 1 69 69 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 5309 1 740 . 1 1 69 69 SER CB C 13 63.6 0.1 . 1 . . . . . . . . 5309 1 741 . 1 1 69 69 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 5309 1 742 . 1 1 69 69 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 5309 1 743 . 1 1 69 69 SER C C 13 175.1 0.1 . 1 . . . . . . . . 5309 1 744 . 1 1 70 70 GLY N N 15 109.1 0.05 . 1 . . . . . . . . 5309 1 745 . 1 1 70 70 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5309 1 746 . 1 1 70 70 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5309 1 747 . 1 1 71 71 ALA N N 15 122.2 0.05 . 1 . . . . . . . . 5309 1 748 . 1 1 71 71 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 5309 1 749 . 1 1 71 71 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5309 1 750 . 1 1 71 71 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 5309 1 751 . 1 1 71 71 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5309 1 752 . 1 1 71 71 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5309 1 753 . 1 1 71 71 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5309 1 754 . 1 1 71 71 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5309 1 755 . 1 1 71 71 ALA C C 13 178.3 0.1 . 1 . . . . . . . . 5309 1 756 . 1 1 72 72 GLY N N 15 106.6 0.05 . 1 . . . . . . . . 5309 1 757 . 1 1 72 72 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 5309 1 758 . 1 1 72 72 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5309 1 759 . 1 1 73 73 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5309 1 760 . 1 1 73 73 GLY C C 13 174.3 0.1 . 1 . . . . . . . . 5309 1 761 . 1 1 74 74 SER N N 15 114.3 0.05 . 1 . . . . . . . . 5309 1 762 . 1 1 74 74 SER H H 1 8.32 0.02 . 1 . . . . . . . . 5309 1 763 . 1 1 74 74 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 5309 1 764 . 1 1 74 74 SER HA H 1 4.48 0.02 . 1 . . . . . . . . 5309 1 765 . 1 1 74 74 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 5309 1 766 . 1 1 74 74 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 5309 1 767 . 1 1 74 74 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 5309 1 768 . 1 1 74 74 SER C C 13 175.2 0.1 . 1 . . . . . . . . 5309 1 769 . 1 1 75 75 GLY N N 15 109.3 0.05 . 1 . . . . . . . . 5309 1 770 . 1 1 75 75 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5309 1 771 . 1 1 77 77 HIS CA C 13 56.0 0.1 . 1 . . . . . . . . 5309 1 772 . 1 1 77 77 HIS CB C 13 30.0 0.1 . 1 . . . . . . . . 5309 1 773 . 1 1 77 77 HIS C C 13 175.3 0.1 . 1 . . . . . . . . 5309 1 774 . 1 1 78 78 MET N N 15 120.4 0.05 . 1 . . . . . . . . 5309 1 775 . 1 1 78 78 MET CA C 13 55.1 0.1 . 1 . . . . . . . . 5309 1 776 . 1 1 78 78 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 5309 1 777 . 1 1 78 78 MET CB C 13 31.9 0.1 . 1 . . . . . . . . 5309 1 778 . 1 1 78 78 MET C C 13 176.6 0.1 . 1 . . . . . . . . 5309 1 779 . 1 1 79 79 GLY N N 15 108.6 0.05 . 1 . . . . . . . . 5309 1 780 . 1 1 79 79 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 5309 1 781 . 1 1 79 79 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5309 1 782 . 1 1 79 79 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . 5309 1 783 . 1 1 79 79 GLY HA3 H 1 4.01 0.02 . 1 . . . . . . . . 5309 1 784 . 1 1 79 79 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5309 1 785 . 1 1 80 80 SER N N 15 119.1 0.05 . 1 . . . . . . . . 5309 1 786 . 1 1 80 80 SER H H 1 8.21 0.02 . 1 . . . . . . . . 5309 1 787 . 1 1 80 80 SER CA C 13 55.7 0.1 . 1 . . . . . . . . 5309 1 788 . 1 1 80 80 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 5309 1 789 . 1 1 80 80 SER CB C 13 62.7 0.1 . 1 . . . . . . . . 5309 1 790 . 1 1 80 80 SER HB2 H 1 2.76 0.02 . 1 . . . . . . . . 5309 1 791 . 1 1 80 80 SER HB3 H 1 2.76 0.02 . 1 . . . . . . . . 5309 1 792 . 1 1 82 82 GLY N N 15 108.6 0.05 . 1 . . . . . . . . 5309 1 793 . 1 1 82 82 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 5309 1 794 . 1 1 82 82 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 5309 1 795 . 1 1 82 82 GLY HA2 H 1 4.01 0.02 . 2 . . . . . . . . 5309 1 796 . 1 1 82 82 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 5309 1 797 . 1 1 82 82 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5309 1 798 . 1 1 83 83 ASP N N 15 118.9 0.05 . 1 . . . . . . . . 5309 1 799 . 1 1 83 83 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 5309 1 800 . 1 1 83 83 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5309 1 801 . 1 1 83 83 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 5309 1 802 . 1 1 83 83 ASP CB C 13 40.9 0.1 . 1 . . . . . . . . 5309 1 803 . 1 1 83 83 ASP HB2 H 1 2.58 0.02 . 1 . . . . . . . . 5309 1 804 . 1 1 83 83 ASP HB3 H 1 2.58 0.02 . 1 . . . . . . . . 5309 1 805 . 1 1 83 83 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 5309 1 806 . 1 1 84 84 VAL N N 15 118.5 0.05 . 1 . . . . . . . . 5309 1 807 . 1 1 84 84 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 5309 1 808 . 1 1 84 84 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . 5309 1 809 . 1 1 84 84 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 5309 1 810 . 1 1 84 84 VAL CB C 13 32.3 0.1 . 1 . . . . . . . . 5309 1 811 . 1 1 84 84 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5309 1 812 . 1 1 84 84 VAL CG1 C 13 20.9 0.1 . 1 . . . . . . . . 5309 1 813 . 1 1 84 84 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 814 . 1 1 84 84 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 815 . 1 1 84 84 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 816 . 1 1 84 84 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 817 . 1 1 84 84 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 818 . 1 1 84 84 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 819 . 1 1 84 84 VAL C C 13 175.9 0.1 . 1 . . . . . . . . 5309 1 820 . 1 1 85 85 MET N N 15 123.0 0.05 . 1 . . . . . . . . 5309 1 821 . 1 1 85 85 MET H H 1 8.42 0.02 . 1 . . . . . . . . 5309 1 822 . 1 1 85 85 MET CA C 13 55.1 0.1 . 1 . . . . . . . . 5309 1 823 . 1 1 85 85 MET HA H 1 4.49 0.02 . 1 . . . . . . . . 5309 1 824 . 1 1 85 85 MET CB C 13 32.1 0.1 . 1 . . . . . . . . 5309 1 825 . 1 1 85 85 MET HB2 H 1 2.01 0.02 . 1 . . . . . . . . 5309 1 826 . 1 1 85 85 MET HB3 H 1 2.01 0.02 . 1 . . . . . . . . 5309 1 827 . 1 1 85 85 MET C C 13 175.8 0.1 . 1 . . . . . . . . 5309 1 828 . 1 1 86 86 VAL N N 15 121.8 0.05 . 1 . . . . . . . . 5309 1 829 . 1 1 86 86 VAL H H 1 8.19 0.02 . 1 . . . . . . . . 5309 1 830 . 1 1 86 86 VAL CA C 13 62.2 0.1 . 1 . . . . . . . . 5309 1 831 . 1 1 86 86 VAL HA H 1 4.13 0.02 . 1 . . . . . . . . 5309 1 832 . 1 1 86 86 VAL CB C 13 32.4 0.1 . 1 . . . . . . . . 5309 1 833 . 1 1 86 86 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5309 1 834 . 1 1 86 86 VAL CG2 C 13 20.2 0.1 . 1 . . . . . . . . 5309 1 835 . 1 1 86 86 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 836 . 1 1 86 86 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 837 . 1 1 86 86 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 838 . 1 1 86 86 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 839 . 1 1 86 86 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 840 . 1 1 86 86 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5309 1 841 . 1 1 86 86 VAL C C 13 175.8 0.1 . 1 . . . . . . . . 5309 1 842 . 1 1 87 87 VAL N N 15 123.6 0.05 . 1 . . . . . . . . 5309 1 843 . 1 1 87 87 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5309 1 844 . 1 1 87 87 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . 5309 1 845 . 1 1 87 87 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 5309 1 846 . 1 1 87 87 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 5309 1 847 . 1 1 87 87 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5309 1 848 . 1 1 87 87 VAL CG2 C 13 20.4 0.1 . 1 . . . . . . . . 5309 1 849 . 1 1 87 87 VAL HG11 H 1 0.93 0.02 . 1 . . . . . . . . 5309 1 850 . 1 1 87 87 VAL HG12 H 1 0.93 0.02 . 1 . . . . . . . . 5309 1 851 . 1 1 87 87 VAL HG13 H 1 0.93 0.02 . 1 . . . . . . . . 5309 1 852 . 1 1 87 87 VAL HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5309 1 853 . 1 1 87 87 VAL HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5309 1 854 . 1 1 87 87 VAL HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5309 1 855 . 1 1 87 87 VAL C C 13 176.3 0.1 . 1 . . . . . . . . 5309 1 856 . 1 1 88 88 GLY N N 15 111.5 0.05 . 1 . . . . . . . . 5309 1 857 . 1 1 88 88 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 5309 1 858 . 1 1 88 88 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 5309 1 859 . 1 1 88 88 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 5309 1 860 . 1 1 88 88 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 5309 1 861 . 1 1 88 88 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 5309 1 862 . 1 1 89 89 GLU N N 15 120.2 0.05 . 1 . . . . . . . . 5309 1 863 . 1 1 89 89 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 5309 1 864 . 1 1 89 89 GLU CA C 13 55.4 0.1 . 1 . . . . . . . . 5309 1 865 . 1 1 89 89 GLU HA H 1 4.62 0.02 . 1 . . . . . . . . 5309 1 866 . 1 1 89 89 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5309 1 867 . 1 1 89 89 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5309 1 868 . 1 1 89 89 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5309 1 869 . 1 1 89 89 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5309 1 870 . 1 1 89 89 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5309 1 871 . 1 1 90 90 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 5309 1 872 . 1 1 90 90 PRO HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5309 1 873 . 1 1 90 90 PRO HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5309 1 874 . 1 1 90 90 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 5309 1 875 . 1 1 90 90 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 5309 1 876 . 1 1 90 90 PRO HD2 H 1 3.82 0.02 . 2 . . . . . . . . 5309 1 877 . 1 1 90 90 PRO HD3 H 1 3.73 0.02 . 2 . . . . . . . . 5309 1 878 . 1 1 90 90 PRO C C 13 177.1 0.1 . 1 . . . . . . . . 5309 1 879 . 1 1 91 91 THR N N 15 112.7 0.05 . 1 . . . . . . . . 5309 1 880 . 1 1 91 91 THR H H 1 8.24 0.02 . 1 . . . . . . . . 5309 1 881 . 1 1 91 91 THR CA C 13 68.5 0.1 . 1 . . . . . . . . 5309 1 882 . 1 1 91 91 THR HA H 1 4.31 0.02 . 1 . . . . . . . . 5309 1 883 . 1 1 91 91 THR CB C 13 72.7 0.1 . 1 . . . . . . . . 5309 1 884 . 1 1 91 91 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 5309 1 885 . 1 1 91 91 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 886 . 1 1 91 91 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 887 . 1 1 91 91 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 5309 1 888 . 1 1 92 92 LEU N N 15 118.4 0.05 . 1 . . . . . . . . 5309 1 889 . 1 1 92 92 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5309 1 890 . 1 1 92 92 LEU HB2 H 1 1.48 0.02 . 2 . . . . . . . . 5309 1 891 . 1 1 92 92 LEU HB3 H 1 1.31 0.02 . 2 . . . . . . . . 5309 1 892 . 1 1 92 92 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5309 1 893 . 1 1 92 92 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5309 1 894 . 1 1 92 92 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5309 1 895 . 1 1 92 92 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 5309 1 896 . 1 1 92 92 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 5309 1 897 . 1 1 92 92 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 5309 1 898 . 1 1 93 93 MET N N 15 122.2 0.05 . 1 . . . . . . . . 5309 1 899 . 1 1 93 93 MET H H 1 8.39 0.02 . 1 . . . . . . . . 5309 1 900 . 1 1 93 93 MET CA C 13 55.5 0.1 . 1 . . . . . . . . 5309 1 901 . 1 1 93 93 MET HA H 1 4.51 0.02 . 1 . . . . . . . . 5309 1 902 . 1 1 93 93 MET CB C 13 32.0 0.1 . 1 . . . . . . . . 5309 1 903 . 1 1 93 93 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5309 1 904 . 1 1 93 93 MET HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5309 1 905 . 1 1 93 93 MET CG C 13 31.6 0.1 . 1 . . . . . . . . 5309 1 906 . 1 1 93 93 MET HG2 H 1 2.51 0.02 . 1 . . . . . . . . 5309 1 907 . 1 1 93 93 MET HG3 H 1 2.51 0.02 . 1 . . . . . . . . 5309 1 908 . 1 1 94 94 GLY N N 15 109.6 0.05 . 1 . . . . . . . . 5309 1 909 . 1 1 94 94 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5309 1 910 . 1 1 94 94 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 5309 1 911 . 1 1 95 95 GLY N N 15 107.1 0.05 . 1 . . . . . . . . 5309 1 912 . 1 1 95 95 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 5309 1 913 . 1 1 95 95 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 5309 1 914 . 1 1 95 95 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 5309 1 915 . 1 1 95 95 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . 5309 1 916 . 1 1 95 95 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 5309 1 917 . 1 1 96 96 GLU N N 15 119.4 0.05 . 1 . . . . . . . . 5309 1 918 . 1 1 96 96 GLU H H 1 8.49 0.02 . 1 . . . . . . . . 5309 1 919 . 1 1 96 96 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 5309 1 920 . 1 1 96 96 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 5309 1 921 . 1 1 96 96 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5309 1 922 . 1 1 96 96 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5309 1 923 . 1 1 96 96 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5309 1 924 . 1 1 96 96 GLU CG C 13 35.6 0.1 . 1 . . . . . . . . 5309 1 925 . 1 1 96 96 GLU HG2 H 1 2.17 0.02 . 2 . . . . . . . . 5309 1 926 . 1 1 96 96 GLU HG3 H 1 2.10 0.02 . 2 . . . . . . . . 5309 1 927 . 1 1 96 96 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 5309 1 928 . 1 1 97 97 PHE N N 15 119.3 0.05 . 1 . . . . . . . . 5309 1 929 . 1 1 97 97 PHE H H 1 8.40 0.02 . 1 . . . . . . . . 5309 1 930 . 1 1 97 97 PHE CA C 13 58.2 0.1 . 1 . . . . . . . . 5309 1 931 . 1 1 97 97 PHE HA H 1 4.64 0.02 . 1 . . . . . . . . 5309 1 932 . 1 1 97 97 PHE CB C 13 39.1 0.1 . 1 . . . . . . . . 5309 1 933 . 1 1 97 97 PHE HB2 H 1 3.13 0.02 . 1 . . . . . . . . 5309 1 934 . 1 1 97 97 PHE HB3 H 1 3.13 0.02 . 1 . . . . . . . . 5309 1 935 . 1 1 97 97 PHE HD1 H 1 7.28 0.02 . 1 . . . . . . . . 5309 1 936 . 1 1 97 97 PHE HD2 H 1 7.28 0.02 . 1 . . . . . . . . 5309 1 937 . 1 1 97 97 PHE C C 13 176.3 0.1 . 1 . . . . . . . . 5309 1 938 . 1 1 98 98 GLY N N 15 111.0 0.05 . 1 . . . . . . . . 5309 1 939 . 1 1 98 98 GLY H H 1 8.50 0.02 . 1 . . . . . . . . 5309 1 940 . 1 1 98 98 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5309 1 941 . 1 1 98 98 GLY HA2 H 1 4.30 0.02 . 2 . . . . . . . . 5309 1 942 . 1 1 98 98 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 5309 1 943 . 1 1 98 98 GLY C C 13 176.6 0.1 . 1 . . . . . . . . 5309 1 944 . 1 1 99 99 ASP N N 15 121.6 0.05 . 1 . . . . . . . . 5309 1 945 . 1 1 99 99 ASP H H 1 7.86 0.02 . 1 . . . . . . . . 5309 1 946 . 1 1 99 99 ASP CA C 13 55.2 0.1 . 1 . . . . . . . . 5309 1 947 . 1 1 99 99 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 5309 1 948 . 1 1 99 99 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5309 1 949 . 1 1 99 99 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5309 1 950 . 1 1 99 99 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5309 1 951 . 1 1 99 99 ASP C C 13 177.9 0.1 . 1 . . . . . . . . 5309 1 952 . 1 1 100 100 GLU N N 15 118.7 0.05 . 1 . . . . . . . . 5309 1 953 . 1 1 100 100 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 5309 1 954 . 1 1 100 100 GLU CA C 13 58.4 0.1 . 1 . . . . . . . . 5309 1 955 . 1 1 100 100 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 5309 1 956 . 1 1 100 100 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 5309 1 957 . 1 1 100 100 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5309 1 958 . 1 1 100 100 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5309 1 959 . 1 1 100 100 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5309 1 960 . 1 1 100 100 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 5309 1 961 . 1 1 100 100 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . 5309 1 962 . 1 1 100 100 GLU C C 13 175.7 0.1 . 1 . . . . . . . . 5309 1 963 . 1 1 101 101 ASP N N 15 117.4 0.05 . 1 . . . . . . . . 5309 1 964 . 1 1 101 101 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 5309 1 965 . 1 1 101 101 ASP CA C 13 54.2 0.1 . 1 . . . . . . . . 5309 1 966 . 1 1 101 101 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 5309 1 967 . 1 1 101 101 ASP CB C 13 41.0 0.1 . 1 . . . . . . . . 5309 1 968 . 1 1 101 101 ASP HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5309 1 969 . 1 1 101 101 ASP HB3 H 1 2.45 0.02 . 2 . . . . . . . . 5309 1 970 . 1 1 101 101 ASP C C 13 173.9 0.1 . 1 . . . . . . . . 5309 1 971 . 1 1 102 102 GLU N N 15 119.9 0.05 . 1 . . . . . . . . 5309 1 972 . 1 1 102 102 GLU H H 1 7.32 0.02 . 1 . . . . . . . . 5309 1 973 . 1 1 102 102 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 5309 1 974 . 1 1 102 102 GLU HA H 1 3.57 0.02 . 1 . . . . . . . . 5309 1 975 . 1 1 102 102 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5309 1 976 . 1 1 102 102 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5309 1 977 . 1 1 102 102 GLU HB3 H 1 1.56 0.02 . 2 . . . . . . . . 5309 1 978 . 1 1 102 102 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5309 1 979 . 1 1 102 102 GLU HG2 H 1 1.75 0.02 . 2 . . . . . . . . 5309 1 980 . 1 1 102 102 GLU HG3 H 1 1.49 0.02 . 2 . . . . . . . . 5309 1 981 . 1 1 103 103 ARG N N 15 126.4 0.05 . 1 . . . . . . . . 5309 1 982 . 1 1 103 103 ARG H H 1 8.95 0.02 . 1 . . . . . . . . 5309 1 983 . 1 1 103 103 ARG CA C 13 55.0 0.1 . 1 . . . . . . . . 5309 1 984 . 1 1 103 103 ARG CB C 13 32.2 0.1 . 1 . . . . . . . . 5309 1 985 . 1 1 103 103 ARG C C 13 174.5 0.1 . 1 . . . . . . . . 5309 1 986 . 1 1 104 104 LEU N N 15 122.7 0.05 . 1 . . . . . . . . 5309 1 987 . 1 1 104 104 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5309 1 988 . 1 1 104 104 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5309 1 989 . 1 1 104 104 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 5309 1 990 . 1 1 104 104 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 5309 1 991 . 1 1 104 104 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5309 1 992 . 1 1 104 104 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5309 1 993 . 1 1 104 104 LEU CG C 13 26.8 0.1 . 1 . . . . . . . . 5309 1 994 . 1 1 104 104 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 5309 1 995 . 1 1 104 104 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 5309 1 996 . 1 1 104 104 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 5309 1 997 . 1 1 104 104 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5309 1 998 . 1 1 104 104 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5309 1 999 . 1 1 104 104 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5309 1 1000 . 1 1 104 104 LEU CD1 C 13 23.9 0.1 . 1 . . . . . . . . 5309 1 1001 . 1 1 105 105 ILE N N 15 123.4 0.05 . 1 . . . . . . . . 5309 1 1002 . 1 1 105 105 ILE H H 1 8.39 0.02 . 1 . . . . . . . . 5309 1 1003 . 1 1 105 105 ILE CA C 13 61.0 0.1 . 1 . . . . . . . . 5309 1 1004 . 1 1 105 105 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 5309 1 1005 . 1 1 105 105 ILE CB C 13 39.8 0.1 . 1 . . . . . . . . 5309 1 1006 . 1 1 105 105 ILE HB H 1 1.42 0.02 . 1 . . . . . . . . 5309 1 1007 . 1 1 105 105 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 5309 1 1008 . 1 1 105 105 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 5309 1 1009 . 1 1 105 105 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 5309 1 1010 . 1 1 105 105 ILE CG2 C 13 18.6 0.1 . 1 . . . . . . . . 5309 1 1011 . 1 1 105 105 ILE CG1 C 13 26.7 0.1 . 1 . . . . . . . . 5309 1 1012 . 1 1 105 105 ILE HG12 H 1 0.41 0.02 . 1 . . . . . . . . 5309 1 1013 . 1 1 105 105 ILE HG13 H 1 0.41 0.02 . 1 . . . . . . . . 5309 1 1014 . 1 1 105 105 ILE HD11 H 1 0.32 0.02 . 1 . . . . . . . . 5309 1 1015 . 1 1 105 105 ILE HD12 H 1 0.32 0.02 . 1 . . . . . . . . 5309 1 1016 . 1 1 105 105 ILE HD13 H 1 0.32 0.02 . 1 . . . . . . . . 5309 1 1017 . 1 1 105 105 ILE CD1 C 13 14.3 0.1 . 1 . . . . . . . . 5309 1 1018 . 1 1 105 105 ILE C C 13 175.4 0.1 . 1 . . . . . . . . 5309 1 1019 . 1 1 106 106 THR N N 15 122.7 0.05 . 1 . . . . . . . . 5309 1 1020 . 1 1 106 106 THR H H 1 9.06 0.02 . 1 . . . . . . . . 5309 1 1021 . 1 1 106 106 THR CA C 13 61.4 0.1 . 1 . . . . . . . . 5309 1 1022 . 1 1 106 106 THR HA H 1 4.64 0.02 . 1 . . . . . . . . 5309 1 1023 . 1 1 106 106 THR CB C 13 70.9 0.1 . 1 . . . . . . . . 5309 1 1024 . 1 1 106 106 THR HB H 1 4.28 0.02 . 1 . . . . . . . . 5309 1 1025 . 1 1 106 106 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 5309 1 1026 . 1 1 106 106 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 5309 1 1027 . 1 1 106 106 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 5309 1 1028 . 1 1 106 106 THR CG2 C 13 21.4 0.1 . 1 . . . . . . . . 5309 1 1029 . 1 1 106 106 THR C C 13 172.5 0.1 . 1 . . . . . . . . 5309 1 1030 . 1 1 107 107 ARG N N 15 126.6 0.05 . 1 . . . . . . . . 5309 1 1031 . 1 1 107 107 ARG H H 1 8.93 0.02 . 1 . . . . . . . . 5309 1 1032 . 1 1 107 107 ARG CA C 13 55.4 0.1 . 1 . . . . . . . . 5309 1 1033 . 1 1 107 107 ARG HA H 1 5.01 0.02 . 1 . . . . . . . . 5309 1 1034 . 1 1 107 107 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 5309 1 1035 . 1 1 107 107 ARG HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5309 1 1036 . 1 1 107 107 ARG HB3 H 1 1.64 0.02 . 2 . . . . . . . . 5309 1 1037 . 1 1 107 107 ARG CG C 13 27.6 0.1 . 1 . . . . . . . . 5309 1 1038 . 1 1 107 107 ARG HG2 H 1 1.59 0.02 . 2 . . . . . . . . 5309 1 1039 . 1 1 107 107 ARG HG3 H 1 1.46 0.02 . 2 . . . . . . . . 5309 1 1040 . 1 1 107 107 ARG CD C 13 43.3 0.1 . 1 . . . . . . . . 5309 1 1041 . 1 1 107 107 ARG HD2 H 1 2.91 0.02 . 1 . . . . . . . . 5309 1 1042 . 1 1 107 107 ARG HD3 H 1 2.91 0.02 . 1 . . . . . . . . 5309 1 1043 . 1 1 107 107 ARG C C 13 175.0 0.1 . 1 . . . . . . . . 5309 1 1044 . 1 1 108 108 LEU N N 15 125.5 0.05 . 1 . . . . . . . . 5309 1 1045 . 1 1 108 108 LEU H H 1 9.15 0.02 . 1 . . . . . . . . 5309 1 1046 . 1 1 108 108 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . 5309 1 1047 . 1 1 108 108 LEU HA H 1 4.94 0.02 . 1 . . . . . . . . 5309 1 1048 . 1 1 108 108 LEU CB C 13 45.1 0.1 . 1 . . . . . . . . 5309 1 1049 . 1 1 108 108 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5309 1 1050 . 1 1 108 108 LEU HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5309 1 1051 . 1 1 108 108 LEU CG C 13 26.3 0.1 . 1 . . . . . . . . 5309 1 1052 . 1 1 108 108 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5309 1 1053 . 1 1 108 108 LEU CD1 C 13 26.0 0.1 . 1 . . . . . . . . 5309 1 1054 . 1 1 108 108 LEU HD11 H 1 0.96 0.02 . 1 . . . . . . . . 5309 1 1055 . 1 1 108 108 LEU HD12 H 1 0.96 0.02 . 1 . . . . . . . . 5309 1 1056 . 1 1 108 108 LEU HD13 H 1 0.96 0.02 . 1 . . . . . . . . 5309 1 1057 . 1 1 108 108 LEU HD21 H 1 0.96 0.02 . 1 . . . . . . . . 5309 1 1058 . 1 1 108 108 LEU HD22 H 1 0.96 0.02 . 1 . . . . . . . . 5309 1 1059 . 1 1 108 108 LEU HD23 H 1 0.96 0.02 . 1 . . . . . . . . 5309 1 1060 . 1 1 108 108 LEU C C 13 175.4 0.1 . 1 . . . . . . . . 5309 1 1061 . 1 1 109 109 GLU N N 15 120.1 0.05 . 1 . . . . . . . . 5309 1 1062 . 1 1 109 109 GLU H H 1 8.66 0.02 . 1 . . . . . . . . 5309 1 1063 . 1 1 109 109 GLU CA C 13 55.8 0.1 . 1 . . . . . . . . 5309 1 1064 . 1 1 109 109 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 5309 1 1065 . 1 1 109 109 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5309 1 1066 . 1 1 109 109 GLU HB2 H 1 1.93 0.02 . 1 . . . . . . . . 5309 1 1067 . 1 1 109 109 GLU HB3 H 1 1.93 0.02 . 1 . . . . . . . . 5309 1 1068 . 1 1 109 109 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5309 1 1069 . 1 1 109 109 GLU HG2 H 1 2.00 0.02 . 1 . . . . . . . . 5309 1 1070 . 1 1 109 109 GLU HG3 H 1 2.00 0.02 . 1 . . . . . . . . 5309 1 1071 . 1 1 109 109 GLU C C 13 176.1 0.1 . 1 . . . . . . . . 5309 1 1072 . 1 1 110 110 ASN N N 15 122.9 0.05 . 1 . . . . . . . . 5309 1 1073 . 1 1 110 110 ASN H H 1 8.81 0.02 . 1 . . . . . . . . 5309 1 1074 . 1 1 110 110 ASN CA C 13 51.5 0.1 . 1 . . . . . . . . 5309 1 1075 . 1 1 110 110 ASN HA H 1 4.63 0.02 . 1 . . . . . . . . 5309 1 1076 . 1 1 110 110 ASN CB C 13 38.1 0.1 . 1 . . . . . . . . 5309 1 1077 . 1 1 110 110 ASN HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5309 1 1078 . 1 1 110 110 ASN HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5309 1 1079 . 1 1 110 110 ASN HD21 H 1 8.22 0.02 . 2 . . . . . . . . 5309 1 1080 . 1 1 110 110 ASN HD22 H 1 6.51 0.02 . 2 . . . . . . . . 5309 1 1081 . 1 1 110 110 ASN C C 13 174.7 0.1 . 1 . . . . . . . . 5309 1 1082 . 1 1 111 111 THR N N 15 118.3 0.05 . 1 . . . . . . . . 5309 1 1083 . 1 1 111 111 THR H H 1 7.82 0.02 . 1 . . . . . . . . 5309 1 1084 . 1 1 111 111 THR CA C 13 62.9 0.1 . 1 . . . . . . . . 5309 1 1085 . 1 1 111 111 THR HA H 1 4.13 0.02 . 1 . . . . . . . . 5309 1 1086 . 1 1 111 111 THR CB C 13 68.5 0.1 . 1 . . . . . . . . 5309 1 1087 . 1 1 111 111 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 5309 1 1088 . 1 1 111 111 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 5309 1 1089 . 1 1 111 111 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 5309 1 1090 . 1 1 111 111 THR CG2 C 13 21.5 0.1 . 1 . . . . . . . . 5309 1 1091 . 1 1 111 111 THR C C 13 174.0 0.1 . 1 . . . . . . . . 5309 1 1092 . 1 1 112 112 GLN N N 15 118.5 0.05 . 1 . . . . . . . . 5309 1 1093 . 1 1 112 112 GLN H H 1 7.88 0.02 . 1 . . . . . . . . 5309 1 1094 . 1 1 112 112 GLN CA C 13 54.9 0.1 . 1 . . . . . . . . 5309 1 1095 . 1 1 112 112 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 5309 1 1096 . 1 1 112 112 GLN CB C 13 28.4 0.1 . 1 . . . . . . . . 5309 1 1097 . 1 1 112 112 GLN HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5309 1 1098 . 1 1 112 112 GLN HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5309 1 1099 . 1 1 112 112 GLN CG C 13 33.3 0.1 . 1 . . . . . . . . 5309 1 1100 . 1 1 112 112 GLN HG2 H 1 2.02 0.02 . 1 . . . . . . . . 5309 1 1101 . 1 1 112 112 GLN HG3 H 1 2.02 0.02 . 1 . . . . . . . . 5309 1 1102 . 1 1 112 112 GLN HE21 H 1 7.04 0.02 . 2 . . . . . . . . 5309 1 1103 . 1 1 112 112 GLN HE22 H 1 6.57 0.02 . 2 . . . . . . . . 5309 1 1104 . 1 1 112 112 GLN C C 13 175.2 0.1 . 1 . . . . . . . . 5309 1 1105 . 1 1 113 113 PHE N N 15 118.8 0.05 . 1 . . . . . . . . 5309 1 1106 . 1 1 113 113 PHE H H 1 7.55 0.02 . 1 . . . . . . . . 5309 1 1107 . 1 1 113 113 PHE CA C 13 58.3 0.1 . 1 . . . . . . . . 5309 1 1108 . 1 1 113 113 PHE HA H 1 4.34 0.02 . 1 . . . . . . . . 5309 1 1109 . 1 1 113 113 PHE CB C 13 39.4 0.1 . 1 . . . . . . . . 5309 1 1110 . 1 1 113 113 PHE HB2 H 1 3.00 0.02 . 1 . . . . . . . . 5309 1 1111 . 1 1 113 113 PHE HB3 H 1 3.00 0.02 . 1 . . . . . . . . 5309 1 1112 . 1 1 113 113 PHE HD1 H 1 7.15 0.02 . 1 . . . . . . . . 5309 1 1113 . 1 1 113 113 PHE HD2 H 1 7.15 0.02 . 1 . . . . . . . . 5309 1 1114 . 1 1 113 113 PHE HE1 H 1 7.20 0.02 . 1 . . . . . . . . 5309 1 1115 . 1 1 113 113 PHE HE2 H 1 7.20 0.02 . 1 . . . . . . . . 5309 1 1116 . 1 1 113 113 PHE C C 13 174.8 0.1 . 1 . . . . . . . . 5309 1 1117 . 1 1 114 114 ASP N N 15 121.3 0.05 . 1 . . . . . . . . 5309 1 1118 . 1 1 114 114 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 5309 1 1119 . 1 1 114 114 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . 5309 1 1120 . 1 1 114 114 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 5309 1 1121 . 1 1 114 114 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . 5309 1 1122 . 1 1 114 114 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5309 1 1123 . 1 1 114 114 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . 5309 1 1124 . 1 1 114 114 ASP C C 13 175.8 0.1 . 1 . . . . . . . . 5309 1 1125 . 1 1 115 115 ALA N N 15 123.5 0.05 . 1 . . . . . . . . 5309 1 1126 . 1 1 115 115 ALA H H 1 8.04 0.02 . 1 . . . . . . . . 5309 1 1127 . 1 1 115 115 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5309 1 1128 . 1 1 115 115 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5309 1 1129 . 1 1 115 115 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5309 1 1130 . 1 1 115 115 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5309 1 1131 . 1 1 115 115 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5309 1 1132 . 1 1 115 115 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5309 1 1133 . 1 1 115 115 ALA C C 13 175.7 0.1 . 1 . . . . . . . . 5309 1 1134 . 1 1 116 116 ALA N N 15 120.3 0.05 . 1 . . . . . . . . 5309 1 1135 . 1 1 116 116 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 5309 1 1136 . 1 1 116 116 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5309 1 1137 . 1 1 116 116 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5309 1 1138 . 1 1 116 116 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 5309 1 1139 . 1 1 116 116 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 5309 1 1140 . 1 1 116 116 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 5309 1 1141 . 1 1 116 116 ALA CB C 13 18.4 0.1 . 1 . . . . . . . . 5309 1 1142 . 1 1 116 116 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 5309 1 1143 . 1 1 117 117 ASN N N 15 115.3 0.05 . 1 . . . . . . . . 5309 1 1144 . 1 1 117 117 ASN H H 1 8.11 0.02 . 1 . . . . . . . . 5309 1 1145 . 1 1 117 117 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5309 1 1146 . 1 1 117 117 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 5309 1 1147 . 1 1 117 117 ASN CB C 13 38.7 0.1 . 1 . . . . . . . . 5309 1 1148 . 1 1 117 117 ASN HB2 H 1 2.81 0.02 . 2 . . . . . . . . 5309 1 1149 . 1 1 117 117 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5309 1 1150 . 1 1 117 117 ASN HD21 H 1 7.64 0.02 . 2 . . . . . . . . 5309 1 1151 . 1 1 117 117 ASN HD22 H 1 6.89 0.02 . 2 . . . . . . . . 5309 1 1152 . 1 1 117 117 ASN C C 13 174.5 0.1 . 1 . . . . . . . . 5309 1 1153 . 1 1 118 118 GLY N N 15 107.7 0.05 . 1 . . . . . . . . 5309 1 1154 . 1 1 118 118 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 5309 1 1155 . 1 1 118 118 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5309 1 1156 . 1 1 118 118 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 5309 1 1157 . 1 1 118 118 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 5309 1 1158 . 1 1 118 118 GLY C C 13 173.9 0.1 . 1 . . . . . . . . 5309 1 1159 . 1 1 119 119 ILE N N 15 118.2 0.05 . 1 . . . . . . . . 5309 1 1160 . 1 1 119 119 ILE H H 1 7.98 0.02 . 1 . . . . . . . . 5309 1 1161 . 1 1 119 119 ILE CA C 13 61.1 0.1 . 1 . . . . . . . . 5309 1 1162 . 1 1 119 119 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 5309 1 1163 . 1 1 119 119 ILE CB C 13 38.5 0.1 . 1 . . . . . . . . 5309 1 1164 . 1 1 119 119 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 5309 1 1165 . 1 1 119 119 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5309 1 1166 . 1 1 119 119 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5309 1 1167 . 1 1 119 119 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5309 1 1168 . 1 1 119 119 ILE CG2 C 13 17.0 0.1 . 1 . . . . . . . . 5309 1 1169 . 1 1 119 119 ILE CG1 C 13 26.7 0.1 . 1 . . . . . . . . 5309 1 1170 . 1 1 119 119 ILE HG12 H 1 1.38 0.02 . 2 . . . . . . . . 5309 1 1171 . 1 1 119 119 ILE HG13 H 1 1.11 0.02 . 2 . . . . . . . . 5309 1 1172 . 1 1 119 119 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 5309 1 1173 . 1 1 119 119 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 5309 1 1174 . 1 1 119 119 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 5309 1 1175 . 1 1 119 119 ILE CD1 C 13 12.8 0.1 . 1 . . . . . . . . 5309 1 1176 . 1 1 119 119 ILE C C 13 175.9 0.1 . 1 . . . . . . . . 5309 1 1177 . 1 1 120 120 ASP N N 15 122.4 0.05 . 1 . . . . . . . . 5309 1 1178 . 1 1 120 120 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 5309 1 1179 . 1 1 120 120 ASP CA C 13 54.3 0.1 . 1 . . . . . . . . 5309 1 1180 . 1 1 120 120 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 5309 1 1181 . 1 1 120 120 ASP CB C 13 41.0 0.1 . 1 . . . . . . . . 5309 1 1182 . 1 1 120 120 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5309 1 1183 . 1 1 120 120 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5309 1 1184 . 1 1 120 120 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5309 1 1185 . 1 1 121 121 ASP N N 15 119.5 0.05 . 1 . . . . . . . . 5309 1 1186 . 1 1 121 121 ASP H H 1 8.21 0.02 . 1 . . . . . . . . 5309 1 1187 . 1 1 121 121 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5309 1 1188 . 1 1 121 121 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 5309 1 1189 . 1 1 121 121 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . 5309 1 1190 . 1 1 121 121 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5309 1 1191 . 1 1 121 121 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5309 1 1192 . 1 1 121 121 ASP C C 13 175.2 0.1 . 1 . . . . . . . . 5309 1 1193 . 1 1 122 122 GLU N N 15 124.2 0.05 . 1 . . . . . . . . 5309 1 1194 . 1 1 122 122 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 5309 1 1195 . 1 1 122 122 GLU CA C 13 58.0 0.1 . 1 . . . . . . . . 5309 1 1196 . 1 1 122 122 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5309 1 1197 . 1 1 122 122 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 5309 1 1198 . 1 1 122 122 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5309 1 1199 . 1 1 122 122 GLU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5309 1 1200 . 1 1 122 122 GLU CG C 13 37.0 0.1 . 1 . . . . . . . . 5309 1 1201 . 1 1 122 122 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 5309 1 1202 . 1 1 122 122 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 5309 1 stop_ save_