data_25986 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25986 _Entry.Title ; Solution structure of the F87M/L110M variant of transthyretin in the monomeric state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-09 _Entry.Accession_date 2016-03-17 _Entry.Last_release_date 2016-03-17 _Entry.Original_release_date 2016-03-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 'Jin Hae' Kim . . . . 25986 2 Javier Oroz . . . . 25986 3 Markus Zweckstetter . . . . 25986 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25986 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 25986 aggregation . 25986 amyloid . 25986 misfolded . 25986 monomer . 25986 transthyretin . 25986 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25986 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 25986 '15N chemical shifts' 102 25986 '1H chemical shifts' 706 25986 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 2 . . 2020-03-04 2016-03-09 update BMRB 'update entry citation' 25986 1 . . 2017-02-16 2016-03-09 original author 'original release' 25986 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25987 'Solution structure of the T119M variant of transthyretin in its monomeric state' 25986 PDB 2NBO 'BMRB Entry Tracking System' 25986 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25986 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28218749 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanistic basis for the recognition of a misfolded protein by the molecular chaperone Hsp90 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 24 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 407 _Citation.Page_last 413 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Javier Oroz J. . . . 25986 1 2 'Jin Hae' Kim J. H. . . 25986 1 3 Bliss Chang B. J. . . 25986 1 4 Markus Zweckstetter M. . . . 25986 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25986 _Assembly.ID 1 _Assembly.Name transthyretin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 transthyretin 1 $M-TTR A . yes native no no . . . 25986 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M-TTR _Entity.Sf_category entity _Entity.Sf_framecode M-TTR _Entity.Entry_ID 25986 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M-TTR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPTGTGESKCPLMVKVLDAV RGSPAINVAVHVFRKAADDT WEPFASGKTSESGELHGLTT EEEFVEGIYKVEIDTKSYWK ALGISPMHEHAEVVFTANDS GPRRYTIAAMLSPYSYSTTA VVTNPKE ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Double mutations (F87M/L110M) are introduced into the human transthyretin' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13779.540 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25986 1 2 2 PRO . 25986 1 3 3 THR . 25986 1 4 4 GLY . 25986 1 5 5 THR . 25986 1 6 6 GLY . 25986 1 7 7 GLU . 25986 1 8 8 SER . 25986 1 9 9 LYS . 25986 1 10 10 CYS . 25986 1 11 11 PRO . 25986 1 12 12 LEU . 25986 1 13 13 MET . 25986 1 14 14 VAL . 25986 1 15 15 LYS . 25986 1 16 16 VAL . 25986 1 17 17 LEU . 25986 1 18 18 ASP . 25986 1 19 19 ALA . 25986 1 20 20 VAL . 25986 1 21 21 ARG . 25986 1 22 22 GLY . 25986 1 23 23 SER . 25986 1 24 24 PRO . 25986 1 25 25 ALA . 25986 1 26 26 ILE . 25986 1 27 27 ASN . 25986 1 28 28 VAL . 25986 1 29 29 ALA . 25986 1 30 30 VAL . 25986 1 31 31 HIS . 25986 1 32 32 VAL . 25986 1 33 33 PHE . 25986 1 34 34 ARG . 25986 1 35 35 LYS . 25986 1 36 36 ALA . 25986 1 37 37 ALA . 25986 1 38 38 ASP . 25986 1 39 39 ASP . 25986 1 40 40 THR . 25986 1 41 41 TRP . 25986 1 42 42 GLU . 25986 1 43 43 PRO . 25986 1 44 44 PHE . 25986 1 45 45 ALA . 25986 1 46 46 SER . 25986 1 47 47 GLY . 25986 1 48 48 LYS . 25986 1 49 49 THR . 25986 1 50 50 SER . 25986 1 51 51 GLU . 25986 1 52 52 SER . 25986 1 53 53 GLY . 25986 1 54 54 GLU . 25986 1 55 55 LEU . 25986 1 56 56 HIS . 25986 1 57 57 GLY . 25986 1 58 58 LEU . 25986 1 59 59 THR . 25986 1 60 60 THR . 25986 1 61 61 GLU . 25986 1 62 62 GLU . 25986 1 63 63 GLU . 25986 1 64 64 PHE . 25986 1 65 65 VAL . 25986 1 66 66 GLU . 25986 1 67 67 GLY . 25986 1 68 68 ILE . 25986 1 69 69 TYR . 25986 1 70 70 LYS . 25986 1 71 71 VAL . 25986 1 72 72 GLU . 25986 1 73 73 ILE . 25986 1 74 74 ASP . 25986 1 75 75 THR . 25986 1 76 76 LYS . 25986 1 77 77 SER . 25986 1 78 78 TYR . 25986 1 79 79 TRP . 25986 1 80 80 LYS . 25986 1 81 81 ALA . 25986 1 82 82 LEU . 25986 1 83 83 GLY . 25986 1 84 84 ILE . 25986 1 85 85 SER . 25986 1 86 86 PRO . 25986 1 87 87 MET . 25986 1 88 88 HIS . 25986 1 89 89 GLU . 25986 1 90 90 HIS . 25986 1 91 91 ALA . 25986 1 92 92 GLU . 25986 1 93 93 VAL . 25986 1 94 94 VAL . 25986 1 95 95 PHE . 25986 1 96 96 THR . 25986 1 97 97 ALA . 25986 1 98 98 ASN . 25986 1 99 99 ASP . 25986 1 100 100 SER . 25986 1 101 101 GLY . 25986 1 102 102 PRO . 25986 1 103 103 ARG . 25986 1 104 104 ARG . 25986 1 105 105 TYR . 25986 1 106 106 THR . 25986 1 107 107 ILE . 25986 1 108 108 ALA . 25986 1 109 109 ALA . 25986 1 110 110 MET . 25986 1 111 111 LEU . 25986 1 112 112 SER . 25986 1 113 113 PRO . 25986 1 114 114 TYR . 25986 1 115 115 SER . 25986 1 116 116 TYR . 25986 1 117 117 SER . 25986 1 118 118 THR . 25986 1 119 119 THR . 25986 1 120 120 ALA . 25986 1 121 121 VAL . 25986 1 122 122 VAL . 25986 1 123 123 THR . 25986 1 124 124 ASN . 25986 1 125 125 PRO . 25986 1 126 126 LYS . 25986 1 127 127 GLU . 25986 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 25986 1 . PRO 2 2 25986 1 . THR 3 3 25986 1 . GLY 4 4 25986 1 . THR 5 5 25986 1 . GLY 6 6 25986 1 . GLU 7 7 25986 1 . SER 8 8 25986 1 . LYS 9 9 25986 1 . CYS 10 10 25986 1 . PRO 11 11 25986 1 . LEU 12 12 25986 1 . MET 13 13 25986 1 . VAL 14 14 25986 1 . LYS 15 15 25986 1 . VAL 16 16 25986 1 . LEU 17 17 25986 1 . ASP 18 18 25986 1 . ALA 19 19 25986 1 . VAL 20 20 25986 1 . ARG 21 21 25986 1 . GLY 22 22 25986 1 . SER 23 23 25986 1 . PRO 24 24 25986 1 . ALA 25 25 25986 1 . ILE 26 26 25986 1 . ASN 27 27 25986 1 . VAL 28 28 25986 1 . ALA 29 29 25986 1 . VAL 30 30 25986 1 . HIS 31 31 25986 1 . VAL 32 32 25986 1 . PHE 33 33 25986 1 . ARG 34 34 25986 1 . LYS 35 35 25986 1 . ALA 36 36 25986 1 . ALA 37 37 25986 1 . ASP 38 38 25986 1 . ASP 39 39 25986 1 . THR 40 40 25986 1 . TRP 41 41 25986 1 . GLU 42 42 25986 1 . PRO 43 43 25986 1 . PHE 44 44 25986 1 . ALA 45 45 25986 1 . SER 46 46 25986 1 . GLY 47 47 25986 1 . LYS 48 48 25986 1 . THR 49 49 25986 1 . SER 50 50 25986 1 . GLU 51 51 25986 1 . SER 52 52 25986 1 . GLY 53 53 25986 1 . GLU 54 54 25986 1 . LEU 55 55 25986 1 . HIS 56 56 25986 1 . GLY 57 57 25986 1 . LEU 58 58 25986 1 . THR 59 59 25986 1 . THR 60 60 25986 1 . GLU 61 61 25986 1 . GLU 62 62 25986 1 . GLU 63 63 25986 1 . PHE 64 64 25986 1 . VAL 65 65 25986 1 . GLU 66 66 25986 1 . GLY 67 67 25986 1 . ILE 68 68 25986 1 . TYR 69 69 25986 1 . LYS 70 70 25986 1 . VAL 71 71 25986 1 . GLU 72 72 25986 1 . ILE 73 73 25986 1 . ASP 74 74 25986 1 . THR 75 75 25986 1 . LYS 76 76 25986 1 . SER 77 77 25986 1 . TYR 78 78 25986 1 . TRP 79 79 25986 1 . LYS 80 80 25986 1 . ALA 81 81 25986 1 . LEU 82 82 25986 1 . GLY 83 83 25986 1 . ILE 84 84 25986 1 . SER 85 85 25986 1 . PRO 86 86 25986 1 . MET 87 87 25986 1 . HIS 88 88 25986 1 . GLU 89 89 25986 1 . HIS 90 90 25986 1 . ALA 91 91 25986 1 . GLU 92 92 25986 1 . VAL 93 93 25986 1 . VAL 94 94 25986 1 . PHE 95 95 25986 1 . THR 96 96 25986 1 . ALA 97 97 25986 1 . ASN 98 98 25986 1 . ASP 99 99 25986 1 . SER 100 100 25986 1 . GLY 101 101 25986 1 . PRO 102 102 25986 1 . ARG 103 103 25986 1 . ARG 104 104 25986 1 . TYR 105 105 25986 1 . THR 106 106 25986 1 . ILE 107 107 25986 1 . ALA 108 108 25986 1 . ALA 109 109 25986 1 . MET 110 110 25986 1 . LEU 111 111 25986 1 . SER 112 112 25986 1 . PRO 113 113 25986 1 . TYR 114 114 25986 1 . SER 115 115 25986 1 . TYR 116 116 25986 1 . SER 117 117 25986 1 . THR 118 118 25986 1 . THR 119 119 25986 1 . ALA 120 120 25986 1 . VAL 121 121 25986 1 . VAL 122 122 25986 1 . THR 123 123 25986 1 . ASN 124 124 25986 1 . PRO 125 125 25986 1 . LYS 126 126 25986 1 . GLU 127 127 25986 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25986 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $M-TTR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'Double mutations (F87M/L110M) are introduced into the wild-type sequence.' 25986 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 25986 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $M-TTR . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli M15 pREP4 . . . . pQE . . . 25986 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25986 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 M-TTR '[U-13C; U-15N]' . . 1 $M-TTR . protein . 0.3 0.7 mM . . . . 25986 1 2 MES 'natural abundance' . . . . . buffer 50 . . mM . . . . 25986 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 25986 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25986 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25986 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25986 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25986 1 stop_ save_ save_sample_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_D2O _Sample.Entry_ID 25986 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 M-TTR '[U-13C; U-15N]' . . 1 $M-TTR . protein 0.7 . . mM . . . . 25986 2 2 MES 'natural abundance' . . . . . buffer 50 . . mM . . . . 25986 2 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 25986 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25986 2 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25986 2 6 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25986 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25986 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.1 . M 25986 1 pH 6.5 . pH 25986 1 pressure 500 . bar 25986 1 temperature 298 . K 25986 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25986 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25986 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 25986 1 . processing 25986 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25986 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25986 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 25986 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25986 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25986 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25986 3 . 'data analysis' 25986 3 . 'peak picking' 25986 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25986 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25986 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 25986 4 . 'structure solution' 25986 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25986 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25986 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 25986 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700_cryo _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700_cryo _NMR_spectrometer.Entry_ID 25986 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25986 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 1 700_cryo Bruker Avance . 700 'Equipped with a cryogenic probe' . . 25986 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 25986 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $700_cryo . . . . . . . . . . . . . . . . 25986 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25986 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25986 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25986 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25986 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25986 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25986 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25986 1 3 '3D HNCACB' 1 $sample_1 isotropic 25986 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25986 1 5 '3D HNCA' 1 $sample_1 isotropic 25986 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 25986 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 25986 1 8 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25986 1 9 '3D 1H-13C NOESY' 1 $sample_1 isotropic 25986 1 10 '3D 1H-13C NOESY' 2 $sample_D2O isotropic 25986 1 11 '2D 1H-13C HSQC' 2 $sample_D2O isotropic 25986 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 25986 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_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 HA2 H 1 4.156 0.020 . 2 . . . . A 1 GLY HA2 . 25986 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.139 0.020 . 2 . . . . A 1 GLY HA3 . 25986 1 3 . 1 . 1 1 1 GLY CA C 13 44.572 0.400 . 1 . . . . A 1 GLY CA . 25986 1 4 . 1 . 1 2 2 PRO HA H 1 4.488 0.020 . 1 . . . . A 2 PRO HA . 25986 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.279 0.020 . 2 . . . . A 2 PRO HB2 . 25986 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.946 0.020 . 2 . . . . A 2 PRO HB3 . 25986 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.001 0.020 . 2 . . . . A 2 PRO HG2 . 25986 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.942 0.020 . 2 . . . . A 2 PRO HG3 . 25986 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.623 0.020 . 1 . . . . A 2 PRO HD2 . 25986 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.623 0.020 . 1 . . . . A 2 PRO HD3 . 25986 1 11 . 1 . 1 2 2 PRO CA C 13 63.218 0.400 . 1 . . . . A 2 PRO CA . 25986 1 12 . 1 . 1 2 2 PRO CB C 13 32.109 0.400 . 1 . . . . A 2 PRO CB . 25986 1 13 . 1 . 1 2 2 PRO CG C 13 27.202 0.400 . 1 . . . . A 2 PRO CG . 25986 1 14 . 1 . 1 2 2 PRO CD C 13 49.774 0.400 . 1 . . . . A 2 PRO CD . 25986 1 15 . 1 . 1 3 3 THR H H 1 8.358 0.020 . 1 . . . . A 3 THR H . 25986 1 16 . 1 . 1 3 3 THR HA H 1 4.355 0.020 . 1 . . . . A 3 THR HA . 25986 1 17 . 1 . 1 3 3 THR HB H 1 4.247 0.020 . 1 . . . . A 3 THR HB . 25986 1 18 . 1 . 1 3 3 THR HG21 H 1 1.194 0.020 . 1 . . . . A 3 THR HG21 . 25986 1 19 . 1 . 1 3 3 THR HG22 H 1 1.194 0.020 . 1 . . . . A 3 THR HG22 . 25986 1 20 . 1 . 1 3 3 THR HG23 H 1 1.194 0.020 . 1 . . . . A 3 THR HG23 . 25986 1 21 . 1 . 1 3 3 THR CA C 13 61.854 0.400 . 1 . . . . A 3 THR CA . 25986 1 22 . 1 . 1 3 3 THR CB C 13 69.722 0.400 . 1 . . . . A 3 THR CB . 25986 1 23 . 1 . 1 3 3 THR CG2 C 13 21.573 0.400 . 1 . . . . A 3 THR CG2 . 25986 1 24 . 1 . 1 3 3 THR N N 15 113.905 0.400 . 1 . . . . A 3 THR N . 25986 1 25 . 1 . 1 4 4 GLY H H 1 8.435 0.020 . 1 . . . . A 4 GLY H . 25986 1 26 . 1 . 1 4 4 GLY HA2 H 1 4.028 0.020 . 1 . . . . A 4 GLY HA2 . 25986 1 27 . 1 . 1 4 4 GLY HA3 H 1 4.028 0.020 . 1 . . . . A 4 GLY HA3 . 25986 1 28 . 1 . 1 4 4 GLY CA C 13 45.359 0.400 . 1 . . . . A 4 GLY CA . 25986 1 29 . 1 . 1 4 4 GLY N N 15 111.151 0.400 . 1 . . . . A 4 GLY N . 25986 1 30 . 1 . 1 5 5 THR H H 1 8.211 0.020 . 1 . . . . A 5 THR H . 25986 1 31 . 1 . 1 5 5 THR HA H 1 4.353 0.020 . 1 . . . . A 5 THR HA . 25986 1 32 . 1 . 1 5 5 THR HB H 1 4.254 0.020 . 1 . . . . A 5 THR HB . 25986 1 33 . 1 . 1 5 5 THR HG21 H 1 1.174 0.020 . 1 . . . . A 5 THR HG21 . 25986 1 34 . 1 . 1 5 5 THR HG22 H 1 1.174 0.020 . 1 . . . . A 5 THR HG22 . 25986 1 35 . 1 . 1 5 5 THR HG23 H 1 1.174 0.020 . 1 . . . . A 5 THR HG23 . 25986 1 36 . 1 . 1 5 5 THR CA C 13 61.798 0.400 . 1 . . . . A 5 THR CA . 25986 1 37 . 1 . 1 5 5 THR CB C 13 69.720 0.400 . 1 . . . . A 5 THR CB . 25986 1 38 . 1 . 1 5 5 THR CG2 C 13 21.530 0.400 . 1 . . . . A 5 THR CG2 . 25986 1 39 . 1 . 1 5 5 THR N N 15 112.909 0.400 . 1 . . . . A 5 THR N . 25986 1 40 . 1 . 1 6 6 GLY H H 1 8.509 0.020 . 1 . . . . A 6 GLY H . 25986 1 41 . 1 . 1 6 6 GLY HA2 H 1 3.948 0.020 . 2 . . . . A 6 GLY HA2 . 25986 1 42 . 1 . 1 6 6 GLY HA3 H 1 3.937 0.020 . 2 . . . . A 6 GLY HA3 . 25986 1 43 . 1 . 1 6 6 GLY CA C 13 45.348 0.400 . 1 . . . . A 6 GLY CA . 25986 1 44 . 1 . 1 6 6 GLY N N 15 111.235 0.400 . 1 . . . . A 6 GLY N . 25986 1 45 . 1 . 1 7 7 GLU H H 1 8.292 0.020 . 1 . . . . A 7 GLU H . 25986 1 46 . 1 . 1 7 7 GLU HA H 1 4.280 0.020 . 1 . . . . A 7 GLU HA . 25986 1 47 . 1 . 1 7 7 GLU HB2 H 1 2.006 0.020 . 2 . . . . A 7 GLU HB2 . 25986 1 48 . 1 . 1 7 7 GLU HB3 H 1 1.884 0.020 . 2 . . . . A 7 GLU HB3 . 25986 1 49 . 1 . 1 7 7 GLU HG2 H 1 2.198 0.020 . 1 . . . . A 7 GLU HG2 . 25986 1 50 . 1 . 1 7 7 GLU HG3 H 1 2.198 0.020 . 1 . . . . A 7 GLU HG3 . 25986 1 51 . 1 . 1 7 7 GLU CA C 13 56.427 0.400 . 1 . . . . A 7 GLU CA . 25986 1 52 . 1 . 1 7 7 GLU CB C 13 30.339 0.400 . 1 . . . . A 7 GLU CB . 25986 1 53 . 1 . 1 7 7 GLU CG C 13 36.113 0.400 . 1 . . . . A 7 GLU CG . 25986 1 54 . 1 . 1 7 7 GLU N N 15 120.638 0.400 . 1 . . . . A 7 GLU N . 25986 1 55 . 1 . 1 8 8 SER H H 1 8.438 0.020 . 1 . . . . A 8 SER H . 25986 1 56 . 1 . 1 8 8 SER HA H 1 4.402 0.020 . 1 . . . . A 8 SER HA . 25986 1 57 . 1 . 1 8 8 SER HB2 H 1 3.857 0.020 . 1 . . . . A 8 SER HB2 . 25986 1 58 . 1 . 1 8 8 SER HB3 H 1 3.857 0.020 . 1 . . . . A 8 SER HB3 . 25986 1 59 . 1 . 1 8 8 SER CA C 13 58.433 0.400 . 1 . . . . A 8 SER CA . 25986 1 60 . 1 . 1 8 8 SER CB C 13 63.445 0.400 . 1 . . . . A 8 SER CB . 25986 1 61 . 1 . 1 8 8 SER N N 15 117.185 0.400 . 1 . . . . A 8 SER N . 25986 1 62 . 1 . 1 9 9 LYS H H 1 8.516 0.020 . 1 . . . . A 9 LYS H . 25986 1 63 . 1 . 1 9 9 LYS HA H 1 4.349 0.020 . 1 . . . . A 9 LYS HA . 25986 1 64 . 1 . 1 9 9 LYS HB2 H 1 1.819 0.020 . 2 . . . . A 9 LYS HB2 . 25986 1 65 . 1 . 1 9 9 LYS HB3 H 1 1.695 0.020 . 2 . . . . A 9 LYS HB3 . 25986 1 66 . 1 . 1 9 9 LYS HG2 H 1 1.361 0.020 . 2 . . . . A 9 LYS HG2 . 25986 1 67 . 1 . 1 9 9 LYS HG3 H 1 1.418 0.020 . 2 . . . . A 9 LYS HG3 . 25986 1 68 . 1 . 1 9 9 LYS HD2 H 1 1.637 0.020 . 1 . . . . A 9 LYS HD2 . 25986 1 69 . 1 . 1 9 9 LYS HD3 H 1 1.637 0.020 . 1 . . . . A 9 LYS HD3 . 25986 1 70 . 1 . 1 9 9 LYS HE2 H 1 2.951 0.020 . 1 . . . . A 9 LYS HE2 . 25986 1 71 . 1 . 1 9 9 LYS HE3 H 1 2.951 0.020 . 1 . . . . A 9 LYS HE3 . 25986 1 72 . 1 . 1 9 9 LYS CA C 13 55.581 0.400 . 1 . . . . A 9 LYS CA . 25986 1 73 . 1 . 1 9 9 LYS CB C 13 32.793 0.400 . 1 . . . . A 9 LYS CB . 25986 1 74 . 1 . 1 9 9 LYS CG C 13 24.782 0.400 . 1 . . . . A 9 LYS CG . 25986 1 75 . 1 . 1 9 9 LYS CD C 13 28.885 0.400 . 1 . . . . A 9 LYS CD . 25986 1 76 . 1 . 1 9 9 LYS CE C 13 41.865 0.400 . 1 . . . . A 9 LYS CE . 25986 1 77 . 1 . 1 9 9 LYS N N 15 123.118 0.400 . 1 . . . . A 9 LYS N . 25986 1 78 . 1 . 1 10 10 CYS H H 1 8.362 0.020 . 1 . . . . A 10 CYS H . 25986 1 79 . 1 . 1 10 10 CYS HA H 1 4.809 0.020 . 1 . . . . A 10 CYS HA . 25986 1 80 . 1 . 1 10 10 CYS HB2 H 1 3.040 0.020 . 1 . . . . A 10 CYS HB2 . 25986 1 81 . 1 . 1 10 10 CYS HB3 H 1 3.040 0.020 . 1 . . . . A 10 CYS HB3 . 25986 1 82 . 1 . 1 10 10 CYS CA C 13 55.451 0.400 . 1 . . . . A 10 CYS CA . 25986 1 83 . 1 . 1 10 10 CYS CB C 13 27.532 0.400 . 1 . . . . A 10 CYS CB . 25986 1 84 . 1 . 1 10 10 CYS N N 15 122.163 0.400 . 1 . . . . A 10 CYS N . 25986 1 85 . 1 . 1 11 11 PRO HA H 1 4.570 0.020 . 1 . . . . A 11 PRO HA . 25986 1 86 . 1 . 1 11 11 PRO HB2 H 1 2.444 0.020 . 2 . . . . A 11 PRO HB2 . 25986 1 87 . 1 . 1 11 11 PRO HB3 H 1 2.010 0.020 . 2 . . . . A 11 PRO HB3 . 25986 1 88 . 1 . 1 11 11 PRO HG2 H 1 1.473 0.020 . 1 . . . . A 11 PRO HG2 . 25986 1 89 . 1 . 1 11 11 PRO HG3 H 1 1.473 0.020 . 1 . . . . A 11 PRO HG3 . 25986 1 90 . 1 . 1 11 11 PRO HD2 H 1 3.801 0.020 . 2 . . . . A 11 PRO HD2 . 25986 1 91 . 1 . 1 11 11 PRO HD3 H 1 3.584 0.020 . 2 . . . . A 11 PRO HD3 . 25986 1 92 . 1 . 1 11 11 PRO CA C 13 64.189 0.400 . 1 . . . . A 11 PRO CA . 25986 1 93 . 1 . 1 11 11 PRO CG C 13 27.632 0.400 . 1 . . . . A 11 PRO CG . 25986 1 94 . 1 . 1 11 11 PRO CD C 13 50.682 0.400 . 1 . . . . A 11 PRO CD . 25986 1 95 . 1 . 1 12 12 LEU H H 1 6.969 0.020 . 1 . . . . A 12 LEU H . 25986 1 96 . 1 . 1 12 12 LEU HA H 1 5.027 0.020 . 1 . . . . A 12 LEU HA . 25986 1 97 . 1 . 1 12 12 LEU HB2 H 1 1.045 0.020 . 2 . . . . A 12 LEU HB2 . 25986 1 98 . 1 . 1 12 12 LEU HB3 H 1 0.375 0.020 . 2 . . . . A 12 LEU HB3 . 25986 1 99 . 1 . 1 12 12 LEU HG H 1 0.984 0.020 . 1 . . . . A 12 LEU HG . 25986 1 100 . 1 . 1 12 12 LEU HD11 H 1 0.458 0.020 . 2 . . . . A 12 LEU HD11 . 25986 1 101 . 1 . 1 12 12 LEU HD12 H 1 0.458 0.020 . 2 . . . . A 12 LEU HD12 . 25986 1 102 . 1 . 1 12 12 LEU HD13 H 1 0.458 0.020 . 2 . . . . A 12 LEU HD13 . 25986 1 103 . 1 . 1 12 12 LEU HD21 H 1 0.583 0.020 . 2 . . . . A 12 LEU HD21 . 25986 1 104 . 1 . 1 12 12 LEU HD22 H 1 0.583 0.020 . 2 . . . . A 12 LEU HD22 . 25986 1 105 . 1 . 1 12 12 LEU HD23 H 1 0.583 0.020 . 2 . . . . A 12 LEU HD23 . 25986 1 106 . 1 . 1 12 12 LEU CA C 13 53.442 0.400 . 1 . . . . A 12 LEU CA . 25986 1 107 . 1 . 1 12 12 LEU CB C 13 44.915 0.400 . 1 . . . . A 12 LEU CB . 25986 1 108 . 1 . 1 12 12 LEU CG C 13 27.334 0.400 . 1 . . . . A 12 LEU CG . 25986 1 109 . 1 . 1 12 12 LEU CD1 C 13 25.412 0.400 . 1 . . . . A 12 LEU CD1 . 25986 1 110 . 1 . 1 12 12 LEU CD2 C 13 23.921 0.400 . 1 . . . . A 12 LEU CD2 . 25986 1 111 . 1 . 1 12 12 LEU N N 15 119.770 0.400 . 1 . . . . A 12 LEU N . 25986 1 112 . 1 . 1 13 13 MET H H 1 8.542 0.020 . 1 . . . . A 13 MET H . 25986 1 113 . 1 . 1 13 13 MET HA H 1 4.594 0.020 . 1 . . . . A 13 MET HA . 25986 1 114 . 1 . 1 13 13 MET HB2 H 1 1.961 0.020 . 1 . . . . A 13 MET HB2 . 25986 1 115 . 1 . 1 13 13 MET HB3 H 1 1.961 0.020 . 1 . . . . A 13 MET HB3 . 25986 1 116 . 1 . 1 13 13 MET HG2 H 1 2.144 0.020 . 2 . . . . A 13 MET HG2 . 25986 1 117 . 1 . 1 13 13 MET HG3 H 1 2.301 0.020 . 2 . . . . A 13 MET HG3 . 25986 1 118 . 1 . 1 13 13 MET HE1 H 1 1.789 0.020 . 1 . . . . A 13 MET HE1 . 25986 1 119 . 1 . 1 13 13 MET HE2 H 1 1.789 0.020 . 1 . . . . A 13 MET HE2 . 25986 1 120 . 1 . 1 13 13 MET HE3 H 1 1.789 0.020 . 1 . . . . A 13 MET HE3 . 25986 1 121 . 1 . 1 13 13 MET CA C 13 54.691 0.400 . 1 . . . . A 13 MET CA . 25986 1 122 . 1 . 1 13 13 MET CB C 13 34.896 0.400 . 1 . . . . A 13 MET CB . 25986 1 123 . 1 . 1 13 13 MET CG C 13 32.175 0.400 . 1 . . . . A 13 MET CG . 25986 1 124 . 1 . 1 13 13 MET CE C 13 17.367 0.400 . 1 . . . . A 13 MET CE . 25986 1 125 . 1 . 1 13 13 MET N N 15 126.490 0.400 . 1 . . . . A 13 MET N . 25986 1 126 . 1 . 1 14 14 VAL H H 1 7.628 0.020 . 1 . . . . A 14 VAL H . 25986 1 127 . 1 . 1 14 14 VAL HA H 1 5.020 0.020 . 1 . . . . A 14 VAL HA . 25986 1 128 . 1 . 1 14 14 VAL HB H 1 1.692 0.020 . 1 . . . . A 14 VAL HB . 25986 1 129 . 1 . 1 14 14 VAL HG11 H 1 0.632 0.020 . 1 . . . . A 14 VAL HG11 . 25986 1 130 . 1 . 1 14 14 VAL HG12 H 1 0.632 0.020 . 1 . . . . A 14 VAL HG12 . 25986 1 131 . 1 . 1 14 14 VAL HG13 H 1 0.632 0.020 . 1 . . . . A 14 VAL HG13 . 25986 1 132 . 1 . 1 14 14 VAL HG21 H 1 0.632 0.020 . 1 . . . . A 14 VAL HG21 . 25986 1 133 . 1 . 1 14 14 VAL HG22 H 1 0.632 0.020 . 1 . . . . A 14 VAL HG22 . 25986 1 134 . 1 . 1 14 14 VAL HG23 H 1 0.632 0.020 . 1 . . . . A 14 VAL HG23 . 25986 1 135 . 1 . 1 14 14 VAL CA C 13 60.142 0.400 . 1 . . . . A 14 VAL CA . 25986 1 136 . 1 . 1 14 14 VAL CB C 13 34.829 0.400 . 1 . . . . A 14 VAL CB . 25986 1 137 . 1 . 1 14 14 VAL CG1 C 13 20.651 0.400 . 1 . . . . A 14 VAL CG1 . 25986 1 138 . 1 . 1 14 14 VAL CG2 C 13 20.712 0.400 . 1 . . . . A 14 VAL CG2 . 25986 1 139 . 1 . 1 14 14 VAL N N 15 122.380 0.400 . 1 . . . . A 14 VAL N . 25986 1 140 . 1 . 1 15 15 LYS H H 1 9.117 0.020 . 1 . . . . A 15 LYS H . 25986 1 141 . 1 . 1 15 15 LYS HA H 1 5.101 0.020 . 1 . . . . A 15 LYS HA . 25986 1 142 . 1 . 1 15 15 LYS HB2 H 1 1.649 0.020 . 2 . . . . A 15 LYS HB2 . 25986 1 143 . 1 . 1 15 15 LYS HB3 H 1 1.483 0.020 . 2 . . . . A 15 LYS HB3 . 25986 1 144 . 1 . 1 15 15 LYS HG2 H 1 1.173 0.020 . 1 . . . . A 15 LYS HG2 . 25986 1 145 . 1 . 1 15 15 LYS HG3 H 1 1.173 0.020 . 1 . . . . A 15 LYS HG3 . 25986 1 146 . 1 . 1 15 15 LYS HD2 H 1 1.565 0.020 . 1 . . . . A 15 LYS HD2 . 25986 1 147 . 1 . 1 15 15 LYS HD3 H 1 1.565 0.020 . 1 . . . . A 15 LYS HD3 . 25986 1 148 . 1 . 1 15 15 LYS HE2 H 1 2.811 0.020 . 1 . . . . A 15 LYS HE2 . 25986 1 149 . 1 . 1 15 15 LYS HE3 H 1 2.811 0.020 . 1 . . . . A 15 LYS HE3 . 25986 1 150 . 1 . 1 15 15 LYS CA C 13 54.650 0.400 . 1 . . . . A 15 LYS CA . 25986 1 151 . 1 . 1 15 15 LYS CB C 13 35.800 0.400 . 1 . . . . A 15 LYS CB . 25986 1 152 . 1 . 1 15 15 LYS CG C 13 24.984 0.400 . 1 . . . . A 15 LYS CG . 25986 1 153 . 1 . 1 15 15 LYS CD C 13 29.582 0.400 . 1 . . . . A 15 LYS CD . 25986 1 154 . 1 . 1 15 15 LYS CE C 13 41.925 0.400 . 1 . . . . A 15 LYS CE . 25986 1 155 . 1 . 1 15 15 LYS N N 15 127.675 0.400 . 1 . . . . A 15 LYS N . 25986 1 156 . 1 . 1 16 16 VAL H H 1 9.188 0.020 . 1 . . . . A 16 VAL H . 25986 1 157 . 1 . 1 16 16 VAL HA H 1 4.851 0.020 . 1 . . . . A 16 VAL HA . 25986 1 158 . 1 . 1 16 16 VAL HB H 1 1.946 0.020 . 1 . . . . A 16 VAL HB . 25986 1 159 . 1 . 1 16 16 VAL HG11 H 1 0.629 0.020 . 2 . . . . A 16 VAL HG11 . 25986 1 160 . 1 . 1 16 16 VAL HG12 H 1 0.629 0.020 . 2 . . . . A 16 VAL HG12 . 25986 1 161 . 1 . 1 16 16 VAL HG13 H 1 0.629 0.020 . 2 . . . . A 16 VAL HG13 . 25986 1 162 . 1 . 1 16 16 VAL HG21 H 1 0.579 0.020 . 2 . . . . A 16 VAL HG21 . 25986 1 163 . 1 . 1 16 16 VAL HG22 H 1 0.579 0.020 . 2 . . . . A 16 VAL HG22 . 25986 1 164 . 1 . 1 16 16 VAL HG23 H 1 0.579 0.020 . 2 . . . . A 16 VAL HG23 . 25986 1 165 . 1 . 1 16 16 VAL CA C 13 60.812 0.400 . 1 . . . . A 16 VAL CA . 25986 1 166 . 1 . 1 16 16 VAL CB C 13 33.081 0.400 . 1 . . . . A 16 VAL CB . 25986 1 167 . 1 . 1 16 16 VAL CG1 C 13 23.402 0.400 . 1 . . . . A 16 VAL CG1 . 25986 1 168 . 1 . 1 16 16 VAL CG2 C 13 21.566 0.400 . 1 . . . . A 16 VAL CG2 . 25986 1 169 . 1 . 1 16 16 VAL N N 15 124.594 0.400 . 1 . . . . A 16 VAL N . 25986 1 170 . 1 . 1 17 17 LEU H H 1 8.705 0.020 . 1 . . . . A 17 LEU H . 25986 1 171 . 1 . 1 17 17 LEU HA H 1 4.677 0.020 . 1 . . . . A 17 LEU HA . 25986 1 172 . 1 . 1 17 17 LEU HB2 H 1 1.653 0.020 . 2 . . . . A 17 LEU HB2 . 25986 1 173 . 1 . 1 17 17 LEU HB3 H 1 1.384 0.020 . 2 . . . . A 17 LEU HB3 . 25986 1 174 . 1 . 1 17 17 LEU HG H 1 1.470 0.020 . 1 . . . . A 17 LEU HG . 25986 1 175 . 1 . 1 17 17 LEU HD11 H 1 0.719 0.020 . 2 . . . . A 17 LEU HD11 . 25986 1 176 . 1 . 1 17 17 LEU HD12 H 1 0.719 0.020 . 2 . . . . A 17 LEU HD12 . 25986 1 177 . 1 . 1 17 17 LEU HD13 H 1 0.719 0.020 . 2 . . . . A 17 LEU HD13 . 25986 1 178 . 1 . 1 17 17 LEU HD21 H 1 0.724 0.020 . 2 . . . . A 17 LEU HD21 . 25986 1 179 . 1 . 1 17 17 LEU HD22 H 1 0.724 0.020 . 2 . . . . A 17 LEU HD22 . 25986 1 180 . 1 . 1 17 17 LEU HD23 H 1 0.724 0.020 . 2 . . . . A 17 LEU HD23 . 25986 1 181 . 1 . 1 17 17 LEU CA C 13 53.256 0.400 . 1 . . . . A 17 LEU CA . 25986 1 182 . 1 . 1 17 17 LEU CB C 13 45.509 0.400 . 1 . . . . A 17 LEU CB . 25986 1 183 . 1 . 1 17 17 LEU CG C 13 27.393 0.400 . 1 . . . . A 17 LEU CG . 25986 1 184 . 1 . 1 17 17 LEU CD1 C 13 24.517 0.400 . 1 . . . . A 17 LEU CD1 . 25986 1 185 . 1 . 1 17 17 LEU CD2 C 13 24.702 0.400 . 1 . . . . A 17 LEU CD2 . 25986 1 186 . 1 . 1 17 17 LEU N N 15 127.211 0.400 . 1 . . . . A 17 LEU N . 25986 1 187 . 1 . 1 18 18 ASP H H 1 8.843 0.020 . 1 . . . . A 18 ASP H . 25986 1 188 . 1 . 1 18 18 ASP HA H 1 4.608 0.020 . 1 . . . . A 18 ASP HA . 25986 1 189 . 1 . 1 18 18 ASP HB2 H 1 2.964 0.020 . 2 . . . . A 18 ASP HB2 . 25986 1 190 . 1 . 1 18 18 ASP HB3 H 1 2.344 0.020 . 2 . . . . A 18 ASP HB3 . 25986 1 191 . 1 . 1 18 18 ASP CA C 13 53.408 0.400 . 1 . . . . A 18 ASP CA . 25986 1 192 . 1 . 1 18 18 ASP CB C 13 41.702 0.400 . 1 . . . . A 18 ASP CB . 25986 1 193 . 1 . 1 18 18 ASP N N 15 122.214 0.400 . 1 . . . . A 18 ASP N . 25986 1 194 . 1 . 1 19 19 ALA H H 1 9.349 0.020 . 1 . . . . A 19 ALA H . 25986 1 195 . 1 . 1 19 19 ALA HA H 1 4.177 0.020 . 1 . . . . A 19 ALA HA . 25986 1 196 . 1 . 1 19 19 ALA HB1 H 1 1.392 0.020 . 1 . . . . A 19 ALA HB1 . 25986 1 197 . 1 . 1 19 19 ALA HB2 H 1 1.392 0.020 . 1 . . . . A 19 ALA HB2 . 25986 1 198 . 1 . 1 19 19 ALA HB3 H 1 1.392 0.020 . 1 . . . . A 19 ALA HB3 . 25986 1 199 . 1 . 1 19 19 ALA CA C 13 54.139 0.400 . 1 . . . . A 19 ALA CA . 25986 1 200 . 1 . 1 19 19 ALA CB C 13 19.686 0.400 . 1 . . . . A 19 ALA CB . 25986 1 201 . 1 . 1 19 19 ALA N N 15 128.007 0.400 . 1 . . . . A 19 ALA N . 25986 1 202 . 1 . 1 20 20 VAL H H 1 8.820 0.020 . 1 . . . . A 20 VAL H . 25986 1 203 . 1 . 1 20 20 VAL HA H 1 3.902 0.020 . 1 . . . . A 20 VAL HA . 25986 1 204 . 1 . 1 20 20 VAL HB H 1 2.545 0.020 . 1 . . . . A 20 VAL HB . 25986 1 205 . 1 . 1 20 20 VAL HG11 H 1 1.028 0.020 . 2 . . . . A 20 VAL HG11 . 25986 1 206 . 1 . 1 20 20 VAL HG12 H 1 1.028 0.020 . 2 . . . . A 20 VAL HG12 . 25986 1 207 . 1 . 1 20 20 VAL HG13 H 1 1.028 0.020 . 2 . . . . A 20 VAL HG13 . 25986 1 208 . 1 . 1 20 20 VAL HG21 H 1 1.115 0.020 . 2 . . . . A 20 VAL HG21 . 25986 1 209 . 1 . 1 20 20 VAL HG22 H 1 1.115 0.020 . 2 . . . . A 20 VAL HG22 . 25986 1 210 . 1 . 1 20 20 VAL HG23 H 1 1.115 0.020 . 2 . . . . A 20 VAL HG23 . 25986 1 211 . 1 . 1 20 20 VAL CA C 13 65.139 0.400 . 1 . . . . A 20 VAL CA . 25986 1 212 . 1 . 1 20 20 VAL CB C 13 31.854 0.400 . 1 . . . . A 20 VAL CB . 25986 1 213 . 1 . 1 20 20 VAL CG1 C 13 21.259 0.400 . 1 . . . . A 20 VAL CG1 . 25986 1 214 . 1 . 1 20 20 VAL CG2 C 13 22.683 0.400 . 1 . . . . A 20 VAL CG2 . 25986 1 215 . 1 . 1 20 20 VAL N N 15 119.096 0.400 . 1 . . . . A 20 VAL N . 25986 1 216 . 1 . 1 21 21 ARG H H 1 8.364 0.020 . 1 . . . . A 21 ARG H . 25986 1 217 . 1 . 1 21 21 ARG HA H 1 4.275 0.020 . 1 . . . . A 21 ARG HA . 25986 1 218 . 1 . 1 21 21 ARG HB2 H 1 1.573 0.020 . 2 . . . . A 21 ARG HB2 . 25986 1 219 . 1 . 1 21 21 ARG HB3 H 1 1.928 0.020 . 2 . . . . A 21 ARG HB3 . 25986 1 220 . 1 . 1 21 21 ARG HG2 H 1 1.658 0.020 . 2 . . . . A 21 ARG HG2 . 25986 1 221 . 1 . 1 21 21 ARG HG3 H 1 1.796 0.020 . 2 . . . . A 21 ARG HG3 . 25986 1 222 . 1 . 1 21 21 ARG HD2 H 1 3.204 0.020 . 1 . . . . A 21 ARG HD2 . 25986 1 223 . 1 . 1 21 21 ARG HD3 H 1 3.204 0.020 . 1 . . . . A 21 ARG HD3 . 25986 1 224 . 1 . 1 21 21 ARG CA C 13 56.462 0.400 . 1 . . . . A 21 ARG CA . 25986 1 225 . 1 . 1 21 21 ARG CB C 13 31.692 0.400 . 1 . . . . A 21 ARG CB . 25986 1 226 . 1 . 1 21 21 ARG CG C 13 27.973 0.400 . 1 . . . . A 21 ARG CG . 25986 1 227 . 1 . 1 21 21 ARG CD C 13 43.257 0.400 . 1 . . . . A 21 ARG CD . 25986 1 228 . 1 . 1 21 21 ARG N N 15 117.716 0.400 . 1 . . . . A 21 ARG N . 25986 1 229 . 1 . 1 22 22 GLY H H 1 8.280 0.020 . 1 . . . . A 22 GLY H . 25986 1 230 . 1 . 1 22 22 GLY HA2 H 1 3.819 0.020 . 2 . . . . A 22 GLY HA2 . 25986 1 231 . 1 . 1 22 22 GLY HA3 H 1 3.956 0.020 . 2 . . . . A 22 GLY HA3 . 25986 1 232 . 1 . 1 22 22 GLY CA C 13 46.366 0.400 . 1 . . . . A 22 GLY CA . 25986 1 233 . 1 . 1 22 22 GLY N N 15 109.360 0.400 . 1 . . . . A 22 GLY N . 25986 1 234 . 1 . 1 23 23 SER H H 1 7.473 0.020 . 1 . . . . A 23 SER H . 25986 1 235 . 1 . 1 23 23 SER HA H 1 4.953 0.020 . 1 . . . . A 23 SER HA . 25986 1 236 . 1 . 1 23 23 SER HB2 H 1 3.899 0.020 . 2 . . . . A 23 SER HB2 . 25986 1 237 . 1 . 1 23 23 SER HB3 H 1 3.694 0.020 . 2 . . . . A 23 SER HB3 . 25986 1 238 . 1 . 1 23 23 SER CA C 13 55.468 0.400 . 1 . . . . A 23 SER CA . 25986 1 239 . 1 . 1 23 23 SER CB C 13 64.484 0.400 . 1 . . . . A 23 SER CB . 25986 1 240 . 1 . 1 23 23 SER N N 15 112.778 0.400 . 1 . . . . A 23 SER N . 25986 1 241 . 1 . 1 24 24 PRO HA H 1 4.335 0.020 . 1 . . . . A 24 PRO HA . 25986 1 242 . 1 . 1 24 24 PRO HB2 H 1 1.538 0.020 . 2 . . . . A 24 PRO HB2 . 25986 1 243 . 1 . 1 24 24 PRO HB3 H 1 1.876 0.020 . 2 . . . . A 24 PRO HB3 . 25986 1 244 . 1 . 1 24 24 PRO HG2 H 1 2.087 0.020 . 2 . . . . A 24 PRO HG2 . 25986 1 245 . 1 . 1 24 24 PRO HG3 H 1 1.861 0.020 . 2 . . . . A 24 PRO HG3 . 25986 1 246 . 1 . 1 24 24 PRO HD2 H 1 3.701 0.020 . 2 . . . . A 24 PRO HD2 . 25986 1 247 . 1 . 1 24 24 PRO HD3 H 1 3.819 0.020 . 2 . . . . A 24 PRO HD3 . 25986 1 248 . 1 . 1 24 24 PRO CA C 13 63.466 0.400 . 1 . . . . A 24 PRO CA . 25986 1 249 . 1 . 1 24 24 PRO CB C 13 32.116 0.400 . 1 . . . . A 24 PRO CB . 25986 1 250 . 1 . 1 24 24 PRO CG C 13 27.883 0.400 . 1 . . . . A 24 PRO CG . 25986 1 251 . 1 . 1 24 24 PRO CD C 13 50.692 0.400 . 1 . . . . A 24 PRO CD . 25986 1 252 . 1 . 1 25 25 ALA H H 1 8.147 0.020 . 1 . . . . A 25 ALA H . 25986 1 253 . 1 . 1 25 25 ALA HA H 1 4.469 0.020 . 1 . . . . A 25 ALA HA . 25986 1 254 . 1 . 1 25 25 ALA HB1 H 1 0.370 0.020 . 1 . . . . A 25 ALA HB1 . 25986 1 255 . 1 . 1 25 25 ALA HB2 H 1 0.370 0.020 . 1 . . . . A 25 ALA HB2 . 25986 1 256 . 1 . 1 25 25 ALA HB3 H 1 0.370 0.020 . 1 . . . . A 25 ALA HB3 . 25986 1 257 . 1 . 1 25 25 ALA CA C 13 50.528 0.400 . 1 . . . . A 25 ALA CA . 25986 1 258 . 1 . 1 25 25 ALA CB C 13 18.740 0.400 . 1 . . . . A 25 ALA CB . 25986 1 259 . 1 . 1 25 25 ALA N N 15 127.044 0.400 . 1 . . . . A 25 ALA N . 25986 1 260 . 1 . 1 26 26 ILE H H 1 8.225 0.020 . 1 . . . . A 26 ILE H . 25986 1 261 . 1 . 1 26 26 ILE HA H 1 3.780 0.020 . 1 . . . . A 26 ILE HA . 25986 1 262 . 1 . 1 26 26 ILE HB H 1 1.618 0.020 . 1 . . . . A 26 ILE HB . 25986 1 263 . 1 . 1 26 26 ILE HG12 H 1 1.418 0.020 . 2 . . . . A 26 ILE HG12 . 25986 1 264 . 1 . 1 26 26 ILE HG13 H 1 1.080 0.020 . 2 . . . . A 26 ILE HG13 . 25986 1 265 . 1 . 1 26 26 ILE HG21 H 1 0.785 0.020 . 1 . . . . A 26 ILE HG21 . 25986 1 266 . 1 . 1 26 26 ILE HG22 H 1 0.785 0.020 . 1 . . . . A 26 ILE HG22 . 25986 1 267 . 1 . 1 26 26 ILE HG23 H 1 0.785 0.020 . 1 . . . . A 26 ILE HG23 . 25986 1 268 . 1 . 1 26 26 ILE HD11 H 1 0.888 0.020 . 1 . . . . A 26 ILE HD11 . 25986 1 269 . 1 . 1 26 26 ILE HD12 H 1 0.888 0.020 . 1 . . . . A 26 ILE HD12 . 25986 1 270 . 1 . 1 26 26 ILE HD13 H 1 0.888 0.020 . 1 . . . . A 26 ILE HD13 . 25986 1 271 . 1 . 1 26 26 ILE CA C 13 61.821 0.400 . 1 . . . . A 26 ILE CA . 25986 1 272 . 1 . 1 26 26 ILE CB C 13 39.422 0.400 . 1 . . . . A 26 ILE CB . 25986 1 273 . 1 . 1 26 26 ILE CG1 C 13 26.779 0.400 . 1 . . . . A 26 ILE CG1 . 25986 1 274 . 1 . 1 26 26 ILE CG2 C 13 17.116 0.400 . 1 . . . . A 26 ILE CG2 . 25986 1 275 . 1 . 1 26 26 ILE CD1 C 13 13.909 0.400 . 1 . . . . A 26 ILE CD1 . 25986 1 276 . 1 . 1 26 26 ILE N N 15 126.820 0.400 . 1 . . . . A 26 ILE N . 25986 1 277 . 1 . 1 27 27 ASN H H 1 7.812 0.020 . 1 . . . . A 27 ASN H . 25986 1 278 . 1 . 1 27 27 ASN HA H 1 4.317 0.020 . 1 . . . . A 27 ASN HA . 25986 1 279 . 1 . 1 27 27 ASN HB2 H 1 3.175 0.020 . 2 . . . . A 27 ASN HB2 . 25986 1 280 . 1 . 1 27 27 ASN HB3 H 1 2.668 0.020 . 2 . . . . A 27 ASN HB3 . 25986 1 281 . 1 . 1 27 27 ASN HD21 H 1 7.625 0.020 . 2 . . . . A 27 ASN HD21 . 25986 1 282 . 1 . 1 27 27 ASN HD22 H 1 6.878 0.020 . 2 . . . . A 27 ASN HD22 . 25986 1 283 . 1 . 1 27 27 ASN CA C 13 54.310 0.400 . 1 . . . . A 27 ASN CA . 25986 1 284 . 1 . 1 27 27 ASN CB C 13 37.134 0.400 . 1 . . . . A 27 ASN CB . 25986 1 285 . 1 . 1 27 27 ASN N N 15 122.884 0.400 . 1 . . . . A 27 ASN N . 25986 1 286 . 1 . 1 27 27 ASN ND2 N 15 112.505 0.400 . 1 . . . . A 27 ASN ND2 . 25986 1 287 . 1 . 1 28 28 VAL H H 1 8.349 0.020 . 1 . . . . A 28 VAL H . 25986 1 288 . 1 . 1 28 28 VAL HA H 1 3.961 0.020 . 1 . . . . A 28 VAL HA . 25986 1 289 . 1 . 1 28 28 VAL HB H 1 1.664 0.020 . 1 . . . . A 28 VAL HB . 25986 1 290 . 1 . 1 28 28 VAL HG11 H 1 0.560 0.020 . 2 . . . . A 28 VAL HG11 . 25986 1 291 . 1 . 1 28 28 VAL HG12 H 1 0.560 0.020 . 2 . . . . A 28 VAL HG12 . 25986 1 292 . 1 . 1 28 28 VAL HG13 H 1 0.560 0.020 . 2 . . . . A 28 VAL HG13 . 25986 1 293 . 1 . 1 28 28 VAL HG21 H 1 0.232 0.020 . 2 . . . . A 28 VAL HG21 . 25986 1 294 . 1 . 1 28 28 VAL HG22 H 1 0.232 0.020 . 2 . . . . A 28 VAL HG22 . 25986 1 295 . 1 . 1 28 28 VAL HG23 H 1 0.232 0.020 . 2 . . . . A 28 VAL HG23 . 25986 1 296 . 1 . 1 28 28 VAL CA C 13 61.816 0.400 . 1 . . . . A 28 VAL CA . 25986 1 297 . 1 . 1 28 28 VAL CB C 13 31.789 0.400 . 1 . . . . A 28 VAL CB . 25986 1 298 . 1 . 1 28 28 VAL CG1 C 13 22.397 0.400 . 1 . . . . A 28 VAL CG1 . 25986 1 299 . 1 . 1 28 28 VAL CG2 C 13 23.447 0.400 . 1 . . . . A 28 VAL CG2 . 25986 1 300 . 1 . 1 28 28 VAL N N 15 119.504 0.400 . 1 . . . . A 28 VAL N . 25986 1 301 . 1 . 1 29 29 ALA H H 1 9.035 0.020 . 1 . . . . A 29 ALA H . 25986 1 302 . 1 . 1 29 29 ALA HA H 1 4.521 0.020 . 1 . . . . A 29 ALA HA . 25986 1 303 . 1 . 1 29 29 ALA HB1 H 1 1.509 0.020 . 1 . . . . A 29 ALA HB1 . 25986 1 304 . 1 . 1 29 29 ALA HB2 H 1 1.509 0.020 . 1 . . . . A 29 ALA HB2 . 25986 1 305 . 1 . 1 29 29 ALA HB3 H 1 1.509 0.020 . 1 . . . . A 29 ALA HB3 . 25986 1 306 . 1 . 1 29 29 ALA CA C 13 52.497 0.400 . 1 . . . . A 29 ALA CA . 25986 1 307 . 1 . 1 29 29 ALA CB C 13 19.770 0.400 . 1 . . . . A 29 ALA CB . 25986 1 308 . 1 . 1 29 29 ALA N N 15 130.239 0.400 . 1 . . . . A 29 ALA N . 25986 1 309 . 1 . 1 30 30 VAL H H 1 8.476 0.020 . 1 . . . . A 30 VAL H . 25986 1 310 . 1 . 1 30 30 VAL HA H 1 4.591 0.020 . 1 . . . . A 30 VAL HA . 25986 1 311 . 1 . 1 30 30 VAL HB H 1 1.493 0.020 . 1 . . . . A 30 VAL HB . 25986 1 312 . 1 . 1 30 30 VAL HG11 H 1 0.596 0.020 . 2 . . . . A 30 VAL HG11 . 25986 1 313 . 1 . 1 30 30 VAL HG12 H 1 0.596 0.020 . 2 . . . . A 30 VAL HG12 . 25986 1 314 . 1 . 1 30 30 VAL HG13 H 1 0.596 0.020 . 2 . . . . A 30 VAL HG13 . 25986 1 315 . 1 . 1 30 30 VAL HG21 H 1 0.635 0.020 . 2 . . . . A 30 VAL HG21 . 25986 1 316 . 1 . 1 30 30 VAL HG22 H 1 0.635 0.020 . 2 . . . . A 30 VAL HG22 . 25986 1 317 . 1 . 1 30 30 VAL HG23 H 1 0.635 0.020 . 2 . . . . A 30 VAL HG23 . 25986 1 318 . 1 . 1 30 30 VAL CA C 13 60.378 0.400 . 1 . . . . A 30 VAL CA . 25986 1 319 . 1 . 1 30 30 VAL CB C 13 34.611 0.400 . 1 . . . . A 30 VAL CB . 25986 1 320 . 1 . 1 30 30 VAL CG1 C 13 21.466 0.400 . 1 . . . . A 30 VAL CG1 . 25986 1 321 . 1 . 1 30 30 VAL CG2 C 13 20.758 0.400 . 1 . . . . A 30 VAL CG2 . 25986 1 322 . 1 . 1 30 30 VAL N N 15 122.226 0.400 . 1 . . . . A 30 VAL N . 25986 1 323 . 1 . 1 31 31 HIS H H 1 9.102 0.020 . 1 . . . . A 31 HIS H . 25986 1 324 . 1 . 1 31 31 HIS HA H 1 4.898 0.020 . 1 . . . . A 31 HIS HA . 25986 1 325 . 1 . 1 31 31 HIS HB2 H 1 3.073 0.020 . 2 . . . . A 31 HIS HB2 . 25986 1 326 . 1 . 1 31 31 HIS HB3 H 1 2.947 0.020 . 2 . . . . A 31 HIS HB3 . 25986 1 327 . 1 . 1 31 31 HIS CA C 13 54.928 0.400 . 1 . . . . A 31 HIS CA . 25986 1 328 . 1 . 1 31 31 HIS N N 15 124.001 0.400 . 1 . . . . A 31 HIS N . 25986 1 329 . 1 . 1 32 32 VAL H H 1 9.329 0.020 . 1 . . . . A 32 VAL H . 25986 1 330 . 1 . 1 32 32 VAL HA H 1 5.486 0.020 . 1 . . . . A 32 VAL HA . 25986 1 331 . 1 . 1 32 32 VAL HB H 1 2.208 0.020 . 1 . . . . A 32 VAL HB . 25986 1 332 . 1 . 1 32 32 VAL HG11 H 1 1.231 0.020 . 2 . . . . A 32 VAL HG11 . 25986 1 333 . 1 . 1 32 32 VAL HG12 H 1 1.231 0.020 . 2 . . . . A 32 VAL HG12 . 25986 1 334 . 1 . 1 32 32 VAL HG13 H 1 1.231 0.020 . 2 . . . . A 32 VAL HG13 . 25986 1 335 . 1 . 1 32 32 VAL HG21 H 1 0.845 0.020 . 2 . . . . A 32 VAL HG21 . 25986 1 336 . 1 . 1 32 32 VAL HG22 H 1 0.845 0.020 . 2 . . . . A 32 VAL HG22 . 25986 1 337 . 1 . 1 32 32 VAL HG23 H 1 0.845 0.020 . 2 . . . . A 32 VAL HG23 . 25986 1 338 . 1 . 1 32 32 VAL CA C 13 59.908 0.400 . 1 . . . . A 32 VAL CA . 25986 1 339 . 1 . 1 32 32 VAL CB C 13 33.008 0.400 . 1 . . . . A 32 VAL CB . 25986 1 340 . 1 . 1 32 32 VAL CG1 C 13 22.324 0.400 . 1 . . . . A 32 VAL CG1 . 25986 1 341 . 1 . 1 32 32 VAL CG2 C 13 21.959 0.400 . 1 . . . . A 32 VAL CG2 . 25986 1 342 . 1 . 1 32 32 VAL N N 15 121.769 0.400 . 1 . . . . A 32 VAL N . 25986 1 343 . 1 . 1 33 33 PHE H H 1 10.055 0.020 . 1 . . . . A 33 PHE H . 25986 1 344 . 1 . 1 33 33 PHE HA H 1 5.483 0.020 . 1 . . . . A 33 PHE HA . 25986 1 345 . 1 . 1 33 33 PHE HB2 H 1 2.645 0.020 . 2 . . . . A 33 PHE HB2 . 25986 1 346 . 1 . 1 33 33 PHE HB3 H 1 3.198 0.020 . 2 . . . . A 33 PHE HB3 . 25986 1 347 . 1 . 1 33 33 PHE HD1 H 1 6.822 0.020 . 1 . . . . A 33 PHE HD1 . 25986 1 348 . 1 . 1 33 33 PHE HD2 H 1 6.822 0.020 . 1 . . . . A 33 PHE HD2 . 25986 1 349 . 1 . 1 33 33 PHE HE1 H 1 7.219 0.020 . 1 . . . . A 33 PHE HE1 . 25986 1 350 . 1 . 1 33 33 PHE HE2 H 1 7.219 0.020 . 1 . . . . A 33 PHE HE2 . 25986 1 351 . 1 . 1 33 33 PHE CA C 13 56.298 0.400 . 1 . . . . A 33 PHE CA . 25986 1 352 . 1 . 1 33 33 PHE CB C 13 44.546 0.400 . 1 . . . . A 33 PHE CB . 25986 1 353 . 1 . 1 33 33 PHE N N 15 128.713 0.400 . 1 . . . . A 33 PHE N . 25986 1 354 . 1 . 1 34 34 ARG H H 1 9.604 0.020 . 1 . . . . A 34 ARG H . 25986 1 355 . 1 . 1 34 34 ARG HA H 1 4.989 0.020 . 1 . . . . A 34 ARG HA . 25986 1 356 . 1 . 1 34 34 ARG HB2 H 1 1.033 0.020 . 2 . . . . A 34 ARG HB2 . 25986 1 357 . 1 . 1 34 34 ARG HB3 H 1 1.746 0.020 . 2 . . . . A 34 ARG HB3 . 25986 1 358 . 1 . 1 34 34 ARG HG2 H 1 0.538 0.020 . 2 . . . . A 34 ARG HG2 . 25986 1 359 . 1 . 1 34 34 ARG HG3 H 1 1.211 0.020 . 2 . . . . A 34 ARG HG3 . 25986 1 360 . 1 . 1 34 34 ARG HD2 H 1 2.765 0.020 . 2 . . . . A 34 ARG HD2 . 25986 1 361 . 1 . 1 34 34 ARG HD3 H 1 2.899 0.020 . 2 . . . . A 34 ARG HD3 . 25986 1 362 . 1 . 1 34 34 ARG HH11 H 1 6.924 0.020 . 1 . . . . A 34 ARG HH11 . 25986 1 363 . 1 . 1 34 34 ARG HH12 H 1 6.924 0.020 . 1 . . . . A 34 ARG HH12 . 25986 1 364 . 1 . 1 34 34 ARG CA C 13 54.128 0.400 . 1 . . . . A 34 ARG CA . 25986 1 365 . 1 . 1 34 34 ARG CB C 13 34.131 0.400 . 1 . . . . A 34 ARG CB . 25986 1 366 . 1 . 1 34 34 ARG CG C 13 27.054 0.400 . 1 . . . . A 34 ARG CG . 25986 1 367 . 1 . 1 34 34 ARG CD C 13 43.069 0.400 . 1 . . . . A 34 ARG CD . 25986 1 368 . 1 . 1 34 34 ARG N N 15 122.500 0.400 . 1 . . . . A 34 ARG N . 25986 1 369 . 1 . 1 35 35 LYS H H 1 8.791 0.020 . 1 . . . . A 35 LYS H . 25986 1 370 . 1 . 1 35 35 LYS HA H 1 3.757 0.020 . 1 . . . . A 35 LYS HA . 25986 1 371 . 1 . 1 35 35 LYS HB2 H 1 0.792 0.020 . 2 . . . . A 35 LYS HB2 . 25986 1 372 . 1 . 1 35 35 LYS HB3 H 1 1.339 0.020 . 2 . . . . A 35 LYS HB3 . 25986 1 373 . 1 . 1 35 35 LYS HG2 H 1 0.021 0.020 . 1 . . . . A 35 LYS HG2 . 25986 1 374 . 1 . 1 35 35 LYS HG3 H 1 0.021 0.020 . 1 . . . . A 35 LYS HG3 . 25986 1 375 . 1 . 1 35 35 LYS HD2 H 1 0.921 0.020 . 1 . . . . A 35 LYS HD2 . 25986 1 376 . 1 . 1 35 35 LYS HD3 H 1 0.921 0.020 . 1 . . . . A 35 LYS HD3 . 25986 1 377 . 1 . 1 35 35 LYS HE2 H 1 2.186 0.020 . 1 . . . . A 35 LYS HE2 . 25986 1 378 . 1 . 1 35 35 LYS HE3 H 1 2.186 0.020 . 1 . . . . A 35 LYS HE3 . 25986 1 379 . 1 . 1 35 35 LYS CA C 13 57.218 0.400 . 1 . . . . A 35 LYS CA . 25986 1 380 . 1 . 1 35 35 LYS CB C 13 31.923 0.400 . 1 . . . . A 35 LYS CB . 25986 1 381 . 1 . 1 35 35 LYS CG C 13 24.024 0.400 . 1 . . . . A 35 LYS CG . 25986 1 382 . 1 . 1 35 35 LYS CD C 13 28.384 0.400 . 1 . . . . A 35 LYS CD . 25986 1 383 . 1 . 1 35 35 LYS CE C 13 41.086 0.400 . 1 . . . . A 35 LYS CE . 25986 1 384 . 1 . 1 35 35 LYS N N 15 130.218 0.400 . 1 . . . . A 35 LYS N . 25986 1 385 . 1 . 1 36 36 ALA H H 1 8.934 0.020 . 1 . . . . A 36 ALA H . 25986 1 386 . 1 . 1 36 36 ALA HA H 1 4.460 0.020 . 1 . . . . A 36 ALA HA . 25986 1 387 . 1 . 1 36 36 ALA HB1 H 1 1.435 0.020 . 1 . . . . A 36 ALA HB1 . 25986 1 388 . 1 . 1 36 36 ALA HB2 H 1 1.435 0.020 . 1 . . . . A 36 ALA HB2 . 25986 1 389 . 1 . 1 36 36 ALA HB3 H 1 1.435 0.020 . 1 . . . . A 36 ALA HB3 . 25986 1 390 . 1 . 1 36 36 ALA CA C 13 50.886 0.400 . 1 . . . . A 36 ALA CA . 25986 1 391 . 1 . 1 36 36 ALA CB C 13 20.611 0.400 . 1 . . . . A 36 ALA CB . 25986 1 392 . 1 . 1 36 36 ALA N N 15 131.407 0.400 . 1 . . . . A 36 ALA N . 25986 1 393 . 1 . 1 37 37 ALA H H 1 8.562 0.020 . 1 . . . . A 37 ALA H . 25986 1 394 . 1 . 1 37 37 ALA HA H 1 4.013 0.020 . 1 . . . . A 37 ALA HA . 25986 1 395 . 1 . 1 37 37 ALA HB1 H 1 1.366 0.020 . 1 . . . . A 37 ALA HB1 . 25986 1 396 . 1 . 1 37 37 ALA HB2 H 1 1.366 0.020 . 1 . . . . A 37 ALA HB2 . 25986 1 397 . 1 . 1 37 37 ALA HB3 H 1 1.366 0.020 . 1 . . . . A 37 ALA HB3 . 25986 1 398 . 1 . 1 37 37 ALA CA C 13 54.294 0.400 . 1 . . . . A 37 ALA CA . 25986 1 399 . 1 . 1 37 37 ALA CB C 13 18.312 0.400 . 1 . . . . A 37 ALA CB . 25986 1 400 . 1 . 1 37 37 ALA N N 15 122.694 0.400 . 1 . . . . A 37 ALA N . 25986 1 401 . 1 . 1 38 38 ASP H H 1 7.781 0.020 . 1 . . . . A 38 ASP H . 25986 1 402 . 1 . 1 38 38 ASP HA H 1 4.390 0.020 . 1 . . . . A 38 ASP HA . 25986 1 403 . 1 . 1 38 38 ASP HB2 H 1 2.920 0.020 . 2 . . . . A 38 ASP HB2 . 25986 1 404 . 1 . 1 38 38 ASP HB3 H 1 2.459 0.020 . 2 . . . . A 38 ASP HB3 . 25986 1 405 . 1 . 1 38 38 ASP CA C 13 52.964 0.400 . 1 . . . . A 38 ASP CA . 25986 1 406 . 1 . 1 38 38 ASP CB C 13 39.431 0.400 . 1 . . . . A 38 ASP CB . 25986 1 407 . 1 . 1 38 38 ASP N N 15 115.615 0.400 . 1 . . . . A 38 ASP N . 25986 1 408 . 1 . 1 39 39 ASP H H 1 8.004 0.020 . 1 . . . . A 39 ASP H . 25986 1 409 . 1 . 1 39 39 ASP HA H 1 3.886 0.020 . 1 . . . . A 39 ASP HA . 25986 1 410 . 1 . 1 39 39 ASP HB2 H 1 2.749 0.020 . 1 . . . . A 39 ASP HB2 . 25986 1 411 . 1 . 1 39 39 ASP HB3 H 1 2.749 0.020 . 1 . . . . A 39 ASP HB3 . 25986 1 412 . 1 . 1 39 39 ASP CA C 13 56.058 0.400 . 1 . . . . A 39 ASP CA . 25986 1 413 . 1 . 1 39 39 ASP CB C 13 39.135 0.400 . 1 . . . . A 39 ASP CB . 25986 1 414 . 1 . 1 39 39 ASP N N 15 112.942 0.400 . 1 . . . . A 39 ASP N . 25986 1 415 . 1 . 1 40 40 THR H H 1 7.364 0.020 . 1 . . . . A 40 THR H . 25986 1 416 . 1 . 1 40 40 THR HA H 1 4.165 0.020 . 1 . . . . A 40 THR HA . 25986 1 417 . 1 . 1 40 40 THR HB H 1 4.100 0.020 . 1 . . . . A 40 THR HB . 25986 1 418 . 1 . 1 40 40 THR HG21 H 1 1.063 0.020 . 1 . . . . A 40 THR HG21 . 25986 1 419 . 1 . 1 40 40 THR HG22 H 1 1.063 0.020 . 1 . . . . A 40 THR HG22 . 25986 1 420 . 1 . 1 40 40 THR HG23 H 1 1.063 0.020 . 1 . . . . A 40 THR HG23 . 25986 1 421 . 1 . 1 40 40 THR CA C 13 61.447 0.400 . 1 . . . . A 40 THR CA . 25986 1 422 . 1 . 1 40 40 THR CB C 13 70.785 0.400 . 1 . . . . A 40 THR CB . 25986 1 423 . 1 . 1 40 40 THR CG2 C 13 21.478 0.400 . 1 . . . . A 40 THR CG2 . 25986 1 424 . 1 . 1 40 40 THR N N 15 110.773 0.400 . 1 . . . . A 40 THR N . 25986 1 425 . 1 . 1 41 41 TRP H H 1 8.522 0.020 . 1 . . . . A 41 TRP H . 25986 1 426 . 1 . 1 41 41 TRP HA H 1 4.829 0.020 . 1 . . . . A 41 TRP HA . 25986 1 427 . 1 . 1 41 41 TRP HB2 H 1 2.825 0.020 . 2 . . . . A 41 TRP HB2 . 25986 1 428 . 1 . 1 41 41 TRP HB3 H 1 2.696 0.020 . 2 . . . . A 41 TRP HB3 . 25986 1 429 . 1 . 1 41 41 TRP HD1 H 1 7.094 0.020 . 1 . . . . A 41 TRP HD1 . 25986 1 430 . 1 . 1 41 41 TRP HE1 H 1 9.963 0.020 . 1 . . . . A 41 TRP HE1 . 25986 1 431 . 1 . 1 41 41 TRP HZ2 H 1 7.428 0.020 . 1 . . . . A 41 TRP HZ2 . 25986 1 432 . 1 . 1 41 41 TRP HH2 H 1 6.903 0.020 . 1 . . . . A 41 TRP HH2 . 25986 1 433 . 1 . 1 41 41 TRP CA C 13 55.480 0.400 . 1 . . . . A 41 TRP CA . 25986 1 434 . 1 . 1 41 41 TRP CB C 13 30.215 0.400 . 1 . . . . A 41 TRP CB . 25986 1 435 . 1 . 1 41 41 TRP N N 15 120.032 0.400 . 1 . . . . A 41 TRP N . 25986 1 436 . 1 . 1 41 41 TRP NE1 N 15 128.504 0.400 . 1 . . . . A 41 TRP NE1 . 25986 1 437 . 1 . 1 42 42 GLU H H 1 9.297 0.020 . 1 . . . . A 42 GLU H . 25986 1 438 . 1 . 1 42 42 GLU HA H 1 5.152 0.020 . 1 . . . . A 42 GLU HA . 25986 1 439 . 1 . 1 42 42 GLU HB2 H 1 2.257 0.020 . 2 . . . . A 42 GLU HB2 . 25986 1 440 . 1 . 1 42 42 GLU HB3 H 1 2.143 0.020 . 2 . . . . A 42 GLU HB3 . 25986 1 441 . 1 . 1 42 42 GLU HG2 H 1 2.372 0.020 . 1 . . . . A 42 GLU HG2 . 25986 1 442 . 1 . 1 42 42 GLU HG3 H 1 2.372 0.020 . 1 . . . . A 42 GLU HG3 . 25986 1 443 . 1 . 1 42 42 GLU CA C 13 53.138 0.400 . 1 . . . . A 42 GLU CA . 25986 1 444 . 1 . 1 42 42 GLU CB C 13 31.605 0.400 . 1 . . . . A 42 GLU CB . 25986 1 445 . 1 . 1 42 42 GLU CG C 13 36.064 0.400 . 1 . . . . A 42 GLU CG . 25986 1 446 . 1 . 1 42 42 GLU N N 15 126.770 0.400 . 1 . . . . A 42 GLU N . 25986 1 447 . 1 . 1 43 43 PRO HA H 1 4.127 0.020 . 1 . . . . A 43 PRO HA . 25986 1 448 . 1 . 1 43 43 PRO HB2 H 1 2.298 0.020 . 2 . . . . A 43 PRO HB2 . 25986 1 449 . 1 . 1 43 43 PRO HB3 H 1 1.958 0.020 . 2 . . . . A 43 PRO HB3 . 25986 1 450 . 1 . 1 43 43 PRO HG2 H 1 2.300 0.020 . 2 . . . . A 43 PRO HG2 . 25986 1 451 . 1 . 1 43 43 PRO HG3 H 1 2.150 0.020 . 2 . . . . A 43 PRO HG3 . 25986 1 452 . 1 . 1 43 43 PRO HD2 H 1 3.920 0.020 . 2 . . . . A 43 PRO HD2 . 25986 1 453 . 1 . 1 43 43 PRO HD3 H 1 4.254 0.020 . 2 . . . . A 43 PRO HD3 . 25986 1 454 . 1 . 1 43 43 PRO CA C 13 64.892 0.400 . 1 . . . . A 43 PRO CA . 25986 1 455 . 1 . 1 43 43 PRO CB C 13 31.965 0.400 . 1 . . . . A 43 PRO CB . 25986 1 456 . 1 . 1 43 43 PRO CG C 13 28.025 0.400 . 1 . . . . A 43 PRO CG . 25986 1 457 . 1 . 1 43 43 PRO CD C 13 51.267 0.400 . 1 . . . . A 43 PRO CD . 25986 1 458 . 1 . 1 44 44 PHE H H 1 8.899 0.020 . 1 . . . . A 44 PHE H . 25986 1 459 . 1 . 1 44 44 PHE HA H 1 4.824 0.020 . 1 . . . . A 44 PHE HA . 25986 1 460 . 1 . 1 44 44 PHE HB2 H 1 2.572 0.020 . 2 . . . . A 44 PHE HB2 . 25986 1 461 . 1 . 1 44 44 PHE HB3 H 1 3.171 0.020 . 2 . . . . A 44 PHE HB3 . 25986 1 462 . 1 . 1 44 44 PHE HD1 H 1 7.227 0.020 . 1 . . . . A 44 PHE HD1 . 25986 1 463 . 1 . 1 44 44 PHE HD2 H 1 7.227 0.020 . 1 . . . . A 44 PHE HD2 . 25986 1 464 . 1 . 1 44 44 PHE HE1 H 1 7.227 0.020 . 1 . . . . A 44 PHE HE1 . 25986 1 465 . 1 . 1 44 44 PHE HE2 H 1 7.227 0.020 . 1 . . . . A 44 PHE HE2 . 25986 1 466 . 1 . 1 44 44 PHE HZ H 1 7.227 0.020 . 1 . . . . A 44 PHE HZ . 25986 1 467 . 1 . 1 44 44 PHE CA C 13 59.091 0.400 . 1 . . . . A 44 PHE CA . 25986 1 468 . 1 . 1 44 44 PHE CB C 13 42.598 0.400 . 1 . . . . A 44 PHE CB . 25986 1 469 . 1 . 1 44 44 PHE N N 15 124.860 0.400 . 1 . . . . A 44 PHE N . 25986 1 470 . 1 . 1 45 45 ALA H H 1 7.915 0.020 . 1 . . . . A 45 ALA H . 25986 1 471 . 1 . 1 45 45 ALA HA H 1 4.521 0.020 . 1 . . . . A 45 ALA HA . 25986 1 472 . 1 . 1 45 45 ALA HB1 H 1 1.184 0.020 . 1 . . . . A 45 ALA HB1 . 25986 1 473 . 1 . 1 45 45 ALA HB2 H 1 1.184 0.020 . 1 . . . . A 45 ALA HB2 . 25986 1 474 . 1 . 1 45 45 ALA HB3 H 1 1.184 0.020 . 1 . . . . A 45 ALA HB3 . 25986 1 475 . 1 . 1 45 45 ALA CA C 13 52.348 0.400 . 1 . . . . A 45 ALA CA . 25986 1 476 . 1 . 1 45 45 ALA CB C 13 23.243 0.400 . 1 . . . . A 45 ALA CB . 25986 1 477 . 1 . 1 45 45 ALA N N 15 118.849 0.400 . 1 . . . . A 45 ALA N . 25986 1 478 . 1 . 1 46 46 SER H H 1 8.695 0.020 . 1 . . . . A 46 SER H . 25986 1 479 . 1 . 1 46 46 SER HA H 1 5.044 0.020 . 1 . . . . A 46 SER HA . 25986 1 480 . 1 . 1 46 46 SER HB2 H 1 3.880 0.020 . 2 . . . . A 46 SER HB2 . 25986 1 481 . 1 . 1 46 46 SER HB3 H 1 3.606 0.020 . 2 . . . . A 46 SER HB3 . 25986 1 482 . 1 . 1 46 46 SER CA C 13 57.632 0.400 . 1 . . . . A 46 SER CA . 25986 1 483 . 1 . 1 46 46 SER CB C 13 66.031 0.400 . 1 . . . . A 46 SER CB . 25986 1 484 . 1 . 1 46 46 SER N N 15 113.400 0.400 . 1 . . . . A 46 SER N . 25986 1 485 . 1 . 1 47 47 GLY H H 1 8.420 0.020 . 1 . . . . A 47 GLY H . 25986 1 486 . 1 . 1 47 47 GLY HA2 H 1 4.164 0.020 . 2 . . . . A 47 GLY HA2 . 25986 1 487 . 1 . 1 47 47 GLY HA3 H 1 3.894 0.020 . 2 . . . . A 47 GLY HA3 . 25986 1 488 . 1 . 1 47 47 GLY CA C 13 45.700 0.400 . 1 . . . . A 47 GLY CA . 25986 1 489 . 1 . 1 47 47 GLY N N 15 106.478 0.400 . 1 . . . . A 47 GLY N . 25986 1 490 . 1 . 1 48 48 LYS H H 1 8.654 0.020 . 1 . . . . A 48 LYS H . 25986 1 491 . 1 . 1 48 48 LYS HA H 1 5.509 0.020 . 1 . . . . A 48 LYS HA . 25986 1 492 . 1 . 1 48 48 LYS HB2 H 1 1.488 0.020 . 1 . . . . A 48 LYS HB2 . 25986 1 493 . 1 . 1 48 48 LYS HB3 H 1 1.488 0.020 . 1 . . . . A 48 LYS HB3 . 25986 1 494 . 1 . 1 48 48 LYS HG2 H 1 1.160 0.020 . 2 . . . . A 48 LYS HG2 . 25986 1 495 . 1 . 1 48 48 LYS HG3 H 1 1.300 0.020 . 2 . . . . A 48 LYS HG3 . 25986 1 496 . 1 . 1 48 48 LYS HD2 H 1 1.485 0.020 . 2 . . . . A 48 LYS HD2 . 25986 1 497 . 1 . 1 48 48 LYS HD3 H 1 1.545 0.020 . 2 . . . . A 48 LYS HD3 . 25986 1 498 . 1 . 1 48 48 LYS HE2 H 1 2.892 0.020 . 1 . . . . A 48 LYS HE2 . 25986 1 499 . 1 . 1 48 48 LYS HE3 H 1 2.892 0.020 . 1 . . . . A 48 LYS HE3 . 25986 1 500 . 1 . 1 48 48 LYS CA C 13 53.726 0.400 . 1 . . . . A 48 LYS CA . 25986 1 501 . 1 . 1 48 48 LYS CB C 13 36.095 0.400 . 1 . . . . A 48 LYS CB . 25986 1 502 . 1 . 1 48 48 LYS CG C 13 24.567 0.400 . 1 . . . . A 48 LYS CG . 25986 1 503 . 1 . 1 48 48 LYS CD C 13 29.254 0.400 . 1 . . . . A 48 LYS CD . 25986 1 504 . 1 . 1 48 48 LYS CE C 13 41.987 0.400 . 1 . . . . A 48 LYS CE . 25986 1 505 . 1 . 1 48 48 LYS N N 15 120.420 0.400 . 1 . . . . A 48 LYS N . 25986 1 506 . 1 . 1 49 49 THR H H 1 8.719 0.020 . 1 . . . . A 49 THR H . 25986 1 507 . 1 . 1 49 49 THR HA H 1 3.952 0.020 . 1 . . . . A 49 THR HA . 25986 1 508 . 1 . 1 49 49 THR HB H 1 4.137 0.020 . 1 . . . . A 49 THR HB . 25986 1 509 . 1 . 1 49 49 THR HG21 H 1 0.979 0.020 . 1 . . . . A 49 THR HG21 . 25986 1 510 . 1 . 1 49 49 THR HG22 H 1 0.979 0.020 . 1 . . . . A 49 THR HG22 . 25986 1 511 . 1 . 1 49 49 THR HG23 H 1 0.979 0.020 . 1 . . . . A 49 THR HG23 . 25986 1 512 . 1 . 1 49 49 THR CA C 13 62.005 0.400 . 1 . . . . A 49 THR CA . 25986 1 513 . 1 . 1 49 49 THR CB C 13 70.357 0.400 . 1 . . . . A 49 THR CB . 25986 1 514 . 1 . 1 49 49 THR CG2 C 13 23.656 0.400 . 1 . . . . A 49 THR CG2 . 25986 1 515 . 1 . 1 49 49 THR N N 15 111.703 0.400 . 1 . . . . A 49 THR N . 25986 1 516 . 1 . 1 50 50 SER H H 1 8.623 0.020 . 1 . . . . A 50 SER H . 25986 1 517 . 1 . 1 50 50 SER HA H 1 4.721 0.020 . 1 . . . . A 50 SER HA . 25986 1 518 . 1 . 1 50 50 SER HB2 H 1 4.177 0.020 . 2 . . . . A 50 SER HB2 . 25986 1 519 . 1 . 1 50 50 SER HB3 H 1 4.434 0.020 . 2 . . . . A 50 SER HB3 . 25986 1 520 . 1 . 1 50 50 SER CA C 13 57.183 0.400 . 1 . . . . A 50 SER CA . 25986 1 521 . 1 . 1 50 50 SER CB C 13 65.508 0.400 . 1 . . . . A 50 SER CB . 25986 1 522 . 1 . 1 50 50 SER N N 15 118.190 0.400 . 1 . . . . A 50 SER N . 25986 1 523 . 1 . 1 51 51 GLU H H 1 9.087 0.020 . 1 . . . . A 51 GLU H . 25986 1 524 . 1 . 1 51 51 GLU HA H 1 4.086 0.020 . 1 . . . . A 51 GLU HA . 25986 1 525 . 1 . 1 51 51 GLU HB2 H 1 2.114 0.020 . 1 . . . . A 51 GLU HB2 . 25986 1 526 . 1 . 1 51 51 GLU HB3 H 1 2.114 0.020 . 1 . . . . A 51 GLU HB3 . 25986 1 527 . 1 . 1 51 51 GLU HG2 H 1 2.376 0.020 . 1 . . . . A 51 GLU HG2 . 25986 1 528 . 1 . 1 51 51 GLU HG3 H 1 2.376 0.020 . 1 . . . . A 51 GLU HG3 . 25986 1 529 . 1 . 1 51 51 GLU CA C 13 59.201 0.400 . 1 . . . . A 51 GLU CA . 25986 1 530 . 1 . 1 51 51 GLU CB C 13 29.111 0.400 . 1 . . . . A 51 GLU CB . 25986 1 531 . 1 . 1 51 51 GLU CG C 13 36.345 0.400 . 1 . . . . A 51 GLU CG . 25986 1 532 . 1 . 1 51 51 GLU N N 15 118.670 0.400 . 1 . . . . A 51 GLU N . 25986 1 533 . 1 . 1 52 52 SER H H 1 8.183 0.020 . 1 . . . . A 52 SER H . 25986 1 534 . 1 . 1 52 52 SER HA H 1 4.476 0.020 . 1 . . . . A 52 SER HA . 25986 1 535 . 1 . 1 52 52 SER HB2 H 1 3.809 0.020 . 2 . . . . A 52 SER HB2 . 25986 1 536 . 1 . 1 52 52 SER HB3 H 1 4.019 0.020 . 2 . . . . A 52 SER HB3 . 25986 1 537 . 1 . 1 52 52 SER CA C 13 57.553 0.400 . 1 . . . . A 52 SER CA . 25986 1 538 . 1 . 1 52 52 SER CB C 13 63.837 0.400 . 1 . . . . A 52 SER CB . 25986 1 539 . 1 . 1 52 52 SER N N 15 111.608 0.400 . 1 . . . . A 52 SER N . 25986 1 540 . 1 . 1 53 53 GLY H H 1 8.555 0.020 . 1 . . . . A 53 GLY H . 25986 1 541 . 1 . 1 53 53 GLY HA2 H 1 3.823 0.020 . 2 . . . . A 53 GLY HA2 . 25986 1 542 . 1 . 1 53 53 GLY HA3 H 1 4.149 0.020 . 2 . . . . A 53 GLY HA3 . 25986 1 543 . 1 . 1 53 53 GLY CA C 13 45.466 0.400 . 1 . . . . A 53 GLY CA . 25986 1 544 . 1 . 1 53 53 GLY N N 15 111.663 0.400 . 1 . . . . A 53 GLY N . 25986 1 545 . 1 . 1 54 54 GLU H H 1 7.292 0.020 . 1 . . . . A 54 GLU H . 25986 1 546 . 1 . 1 54 54 GLU HA H 1 5.145 0.020 . 1 . . . . A 54 GLU HA . 25986 1 547 . 1 . 1 54 54 GLU HB2 H 1 2.113 0.020 . 1 . . . . A 54 GLU HB2 . 25986 1 548 . 1 . 1 54 54 GLU HB3 H 1 2.113 0.020 . 1 . . . . A 54 GLU HB3 . 25986 1 549 . 1 . 1 54 54 GLU HG2 H 1 2.208 0.020 . 2 . . . . A 54 GLU HG2 . 25986 1 550 . 1 . 1 54 54 GLU HG3 H 1 1.942 0.020 . 2 . . . . A 54 GLU HG3 . 25986 1 551 . 1 . 1 54 54 GLU CA C 13 54.537 0.400 . 1 . . . . A 54 GLU CA . 25986 1 552 . 1 . 1 54 54 GLU CG C 13 36.357 0.400 . 1 . . . . A 54 GLU CG . 25986 1 553 . 1 . 1 54 54 GLU N N 15 115.635 0.400 . 1 . . . . A 54 GLU N . 25986 1 554 . 1 . 1 55 55 LEU H H 1 8.718 0.020 . 1 . . . . A 55 LEU H . 25986 1 555 . 1 . 1 55 55 LEU HA H 1 4.762 0.020 . 1 . . . . A 55 LEU HA . 25986 1 556 . 1 . 1 55 55 LEU HB2 H 1 0.983 0.020 . 2 . . . . A 55 LEU HB2 . 25986 1 557 . 1 . 1 55 55 LEU HB3 H 1 1.643 0.020 . 2 . . . . A 55 LEU HB3 . 25986 1 558 . 1 . 1 55 55 LEU HG H 1 1.312 0.020 . 1 . . . . A 55 LEU HG . 25986 1 559 . 1 . 1 55 55 LEU HD11 H 1 0.503 0.020 . 2 . . . . A 55 LEU HD11 . 25986 1 560 . 1 . 1 55 55 LEU HD12 H 1 0.503 0.020 . 2 . . . . A 55 LEU HD12 . 25986 1 561 . 1 . 1 55 55 LEU HD13 H 1 0.503 0.020 . 2 . . . . A 55 LEU HD13 . 25986 1 562 . 1 . 1 55 55 LEU HD21 H 1 0.816 0.020 . 2 . . . . A 55 LEU HD21 . 25986 1 563 . 1 . 1 55 55 LEU HD22 H 1 0.816 0.020 . 2 . . . . A 55 LEU HD22 . 25986 1 564 . 1 . 1 55 55 LEU HD23 H 1 0.816 0.020 . 2 . . . . A 55 LEU HD23 . 25986 1 565 . 1 . 1 55 55 LEU CA C 13 54.016 0.400 . 1 . . . . A 55 LEU CA . 25986 1 566 . 1 . 1 55 55 LEU CB C 13 43.968 0.400 . 1 . . . . A 55 LEU CB . 25986 1 567 . 1 . 1 55 55 LEU CG C 13 27.192 0.400 . 1 . . . . A 55 LEU CG . 25986 1 568 . 1 . 1 55 55 LEU CD1 C 13 26.962 0.400 . 1 . . . . A 55 LEU CD1 . 25986 1 569 . 1 . 1 55 55 LEU CD2 C 13 22.993 0.400 . 1 . . . . A 55 LEU CD2 . 25986 1 570 . 1 . 1 55 55 LEU N N 15 123.313 0.400 . 1 . . . . A 55 LEU N . 25986 1 571 . 1 . 1 57 57 GLY H H 1 8.256 0.020 . 1 . . . . A 57 GLY H . 25986 1 572 . 1 . 1 57 57 GLY HA2 H 1 4.078 0.020 . 2 . . . . A 57 GLY HA2 . 25986 1 573 . 1 . 1 57 57 GLY HA3 H 1 3.902 0.020 . 2 . . . . A 57 GLY HA3 . 25986 1 574 . 1 . 1 57 57 GLY CA C 13 46.703 0.400 . 1 . . . . A 57 GLY CA . 25986 1 575 . 1 . 1 57 57 GLY N N 15 108.255 0.400 . 1 . . . . A 57 GLY N . 25986 1 576 . 1 . 1 58 58 LEU H H 1 8.436 0.020 . 1 . . . . A 58 LEU H . 25986 1 577 . 1 . 1 58 58 LEU HA H 1 3.916 0.020 . 1 . . . . A 58 LEU HA . 25986 1 578 . 1 . 1 58 58 LEU HB2 H 1 1.004 0.020 . 2 . . . . A 58 LEU HB2 . 25986 1 579 . 1 . 1 58 58 LEU HB3 H 1 1.484 0.020 . 2 . . . . A 58 LEU HB3 . 25986 1 580 . 1 . 1 58 58 LEU HG H 1 1.321 0.020 . 1 . . . . A 58 LEU HG . 25986 1 581 . 1 . 1 58 58 LEU HD11 H 1 0.546 0.020 . 2 . . . . A 58 LEU HD11 . 25986 1 582 . 1 . 1 58 58 LEU HD12 H 1 0.546 0.020 . 2 . . . . A 58 LEU HD12 . 25986 1 583 . 1 . 1 58 58 LEU HD13 H 1 0.546 0.020 . 2 . . . . A 58 LEU HD13 . 25986 1 584 . 1 . 1 58 58 LEU HD21 H 1 0.523 0.020 . 2 . . . . A 58 LEU HD21 . 25986 1 585 . 1 . 1 58 58 LEU HD22 H 1 0.523 0.020 . 2 . . . . A 58 LEU HD22 . 25986 1 586 . 1 . 1 58 58 LEU HD23 H 1 0.523 0.020 . 2 . . . . A 58 LEU HD23 . 25986 1 587 . 1 . 1 58 58 LEU CA C 13 57.359 0.400 . 1 . . . . A 58 LEU CA . 25986 1 588 . 1 . 1 58 58 LEU CB C 13 43.750 0.400 . 1 . . . . A 58 LEU CB . 25986 1 589 . 1 . 1 58 58 LEU CG C 13 27.372 0.400 . 1 . . . . A 58 LEU CG . 25986 1 590 . 1 . 1 58 58 LEU CD1 C 13 23.421 0.400 . 1 . . . . A 58 LEU CD1 . 25986 1 591 . 1 . 1 58 58 LEU CD2 C 13 25.092 0.400 . 1 . . . . A 58 LEU CD2 . 25986 1 592 . 1 . 1 58 58 LEU N N 15 119.818 0.400 . 1 . . . . A 58 LEU N . 25986 1 593 . 1 . 1 59 59 THR H H 1 7.353 0.020 . 1 . . . . A 59 THR H . 25986 1 594 . 1 . 1 59 59 THR HA H 1 4.656 0.020 . 1 . . . . A 59 THR HA . 25986 1 595 . 1 . 1 59 59 THR HB H 1 3.840 0.020 . 1 . . . . A 59 THR HB . 25986 1 596 . 1 . 1 59 59 THR HG21 H 1 0.794 0.020 . 1 . . . . A 59 THR HG21 . 25986 1 597 . 1 . 1 59 59 THR HG22 H 1 0.794 0.020 . 1 . . . . A 59 THR HG22 . 25986 1 598 . 1 . 1 59 59 THR HG23 H 1 0.794 0.020 . 1 . . . . A 59 THR HG23 . 25986 1 599 . 1 . 1 59 59 THR CA C 13 59.330 0.400 . 1 . . . . A 59 THR CA . 25986 1 600 . 1 . 1 59 59 THR N N 15 107.842 0.400 . 1 . . . . A 59 THR N . 25986 1 601 . 1 . 1 60 60 THR H H 1 8.575 0.020 . 1 . . . . A 60 THR H . 25986 1 602 . 1 . 1 60 60 THR HA H 1 4.896 0.020 . 1 . . . . A 60 THR HA . 25986 1 603 . 1 . 1 60 60 THR HB H 1 4.595 0.020 . 1 . . . . A 60 THR HB . 25986 1 604 . 1 . 1 60 60 THR HG21 H 1 1.209 0.020 . 1 . . . . A 60 THR HG21 . 25986 1 605 . 1 . 1 60 60 THR HG22 H 1 1.209 0.020 . 1 . . . . A 60 THR HG22 . 25986 1 606 . 1 . 1 60 60 THR HG23 H 1 1.209 0.020 . 1 . . . . A 60 THR HG23 . 25986 1 607 . 1 . 1 60 60 THR CA C 13 59.315 0.400 . 1 . . . . A 60 THR CA . 25986 1 608 . 1 . 1 60 60 THR CB C 13 72.530 0.400 . 1 . . . . A 60 THR CB . 25986 1 609 . 1 . 1 60 60 THR CG2 C 13 21.611 0.400 . 1 . . . . A 60 THR CG2 . 25986 1 610 . 1 . 1 60 60 THR N N 15 111.704 0.400 . 1 . . . . A 60 THR N . 25986 1 611 . 1 . 1 61 61 GLU H H 1 9.125 0.020 . 1 . . . . A 61 GLU H . 25986 1 612 . 1 . 1 61 61 GLU HA H 1 4.070 0.020 . 1 . . . . A 61 GLU HA . 25986 1 613 . 1 . 1 61 61 GLU HB2 H 1 2.104 0.020 . 1 . . . . A 61 GLU HB2 . 25986 1 614 . 1 . 1 61 61 GLU HB3 H 1 2.104 0.020 . 1 . . . . A 61 GLU HB3 . 25986 1 615 . 1 . 1 61 61 GLU HG2 H 1 2.273 0.020 . 1 . . . . A 61 GLU HG2 . 25986 1 616 . 1 . 1 61 61 GLU HG3 H 1 2.273 0.020 . 1 . . . . A 61 GLU HG3 . 25986 1 617 . 1 . 1 61 61 GLU CA C 13 59.961 0.400 . 1 . . . . A 61 GLU CA . 25986 1 618 . 1 . 1 61 61 GLU CB C 13 29.558 0.400 . 1 . . . . A 61 GLU CB . 25986 1 619 . 1 . 1 61 61 GLU CG C 13 36.975 0.400 . 1 . . . . A 61 GLU CG . 25986 1 620 . 1 . 1 61 61 GLU N N 15 120.924 0.400 . 1 . . . . A 61 GLU N . 25986 1 621 . 1 . 1 62 62 GLU H H 1 8.764 0.020 . 1 . . . . A 62 GLU H . 25986 1 622 . 1 . 1 62 62 GLU HA H 1 4.023 0.020 . 1 . . . . A 62 GLU HA . 25986 1 623 . 1 . 1 62 62 GLU HB2 H 1 2.081 0.020 . 2 . . . . A 62 GLU HB2 . 25986 1 624 . 1 . 1 62 62 GLU HB3 H 1 1.952 0.020 . 2 . . . . A 62 GLU HB3 . 25986 1 625 . 1 . 1 62 62 GLU HG2 H 1 2.283 0.020 . 2 . . . . A 62 GLU HG2 . 25986 1 626 . 1 . 1 62 62 GLU HG3 H 1 2.382 0.020 . 2 . . . . A 62 GLU HG3 . 25986 1 627 . 1 . 1 62 62 GLU CA C 13 59.192 0.400 . 1 . . . . A 62 GLU CA . 25986 1 628 . 1 . 1 62 62 GLU CB C 13 29.414 0.400 . 1 . . . . A 62 GLU CB . 25986 1 629 . 1 . 1 62 62 GLU CG C 13 36.687 0.400 . 1 . . . . A 62 GLU CG . 25986 1 630 . 1 . 1 62 62 GLU N N 15 116.260 0.400 . 1 . . . . A 62 GLU N . 25986 1 631 . 1 . 1 63 63 GLU H H 1 7.369 0.020 . 1 . . . . A 63 GLU H . 25986 1 632 . 1 . 1 63 63 GLU HA H 1 4.309 0.020 . 1 . . . . A 63 GLU HA . 25986 1 633 . 1 . 1 63 63 GLU HB2 H 1 2.087 0.020 . 1 . . . . A 63 GLU HB2 . 25986 1 634 . 1 . 1 63 63 GLU HB3 H 1 2.087 0.020 . 1 . . . . A 63 GLU HB3 . 25986 1 635 . 1 . 1 63 63 GLU HG2 H 1 2.267 0.020 . 1 . . . . A 63 GLU HG2 . 25986 1 636 . 1 . 1 63 63 GLU HG3 H 1 2.267 0.020 . 1 . . . . A 63 GLU HG3 . 25986 1 637 . 1 . 1 63 63 GLU CA C 13 56.993 0.400 . 1 . . . . A 63 GLU CA . 25986 1 638 . 1 . 1 63 63 GLU CB C 13 30.964 0.400 . 1 . . . . A 63 GLU CB . 25986 1 639 . 1 . 1 63 63 GLU CG C 13 37.239 0.400 . 1 . . . . A 63 GLU CG . 25986 1 640 . 1 . 1 63 63 GLU N N 15 115.652 0.400 . 1 . . . . A 63 GLU N . 25986 1 641 . 1 . 1 64 64 PHE H H 1 7.931 0.020 . 1 . . . . A 64 PHE H . 25986 1 642 . 1 . 1 64 64 PHE HA H 1 5.066 0.020 . 1 . . . . A 64 PHE HA . 25986 1 643 . 1 . 1 64 64 PHE HB2 H 1 3.248 0.020 . 1 . . . . A 64 PHE HB2 . 25986 1 644 . 1 . 1 64 64 PHE HB3 H 1 3.248 0.020 . 1 . . . . A 64 PHE HB3 . 25986 1 645 . 1 . 1 64 64 PHE HD1 H 1 7.038 0.020 . 1 . . . . A 64 PHE HD1 . 25986 1 646 . 1 . 1 64 64 PHE HD2 H 1 7.038 0.020 . 1 . . . . A 64 PHE HD2 . 25986 1 647 . 1 . 1 64 64 PHE CA C 13 55.316 0.400 . 1 . . . . A 64 PHE CA . 25986 1 648 . 1 . 1 64 64 PHE CB C 13 37.230 0.400 . 1 . . . . A 64 PHE CB . 25986 1 649 . 1 . 1 64 64 PHE N N 15 123.372 0.400 . 1 . . . . A 64 PHE N . 25986 1 650 . 1 . 1 65 65 VAL H H 1 7.228 0.020 . 1 . . . . A 65 VAL H . 25986 1 651 . 1 . 1 65 65 VAL HA H 1 4.224 0.020 . 1 . . . . A 65 VAL HA . 25986 1 652 . 1 . 1 65 65 VAL HB H 1 2.357 0.020 . 1 . . . . A 65 VAL HB . 25986 1 653 . 1 . 1 65 65 VAL HG11 H 1 0.995 0.020 . 2 . . . . A 65 VAL HG11 . 25986 1 654 . 1 . 1 65 65 VAL HG12 H 1 0.995 0.020 . 2 . . . . A 65 VAL HG12 . 25986 1 655 . 1 . 1 65 65 VAL HG13 H 1 0.995 0.020 . 2 . . . . A 65 VAL HG13 . 25986 1 656 . 1 . 1 65 65 VAL HG21 H 1 0.825 0.020 . 2 . . . . A 65 VAL HG21 . 25986 1 657 . 1 . 1 65 65 VAL HG22 H 1 0.825 0.020 . 2 . . . . A 65 VAL HG22 . 25986 1 658 . 1 . 1 65 65 VAL HG23 H 1 0.825 0.020 . 2 . . . . A 65 VAL HG23 . 25986 1 659 . 1 . 1 65 65 VAL CA C 13 60.082 0.400 . 1 . . . . A 65 VAL CA . 25986 1 660 . 1 . 1 65 65 VAL CB C 13 33.193 0.400 . 1 . . . . A 65 VAL CB . 25986 1 661 . 1 . 1 65 65 VAL CG1 C 13 21.660 0.400 . 1 . . . . A 65 VAL CG1 . 25986 1 662 . 1 . 1 65 65 VAL CG2 C 13 17.811 0.400 . 1 . . . . A 65 VAL CG2 . 25986 1 663 . 1 . 1 65 65 VAL N N 15 115.916 0.400 . 1 . . . . A 65 VAL N . 25986 1 664 . 1 . 1 66 66 GLU H H 1 8.661 0.020 . 1 . . . . A 66 GLU H . 25986 1 665 . 1 . 1 66 66 GLU HA H 1 4.178 0.020 . 1 . . . . A 66 GLU HA . 25986 1 666 . 1 . 1 66 66 GLU HB2 H 1 1.873 0.020 . 2 . . . . A 66 GLU HB2 . 25986 1 667 . 1 . 1 66 66 GLU HB3 H 1 1.980 0.020 . 2 . . . . A 66 GLU HB3 . 25986 1 668 . 1 . 1 66 66 GLU HG2 H 1 2.096 0.020 . 2 . . . . A 66 GLU HG2 . 25986 1 669 . 1 . 1 66 66 GLU HG3 H 1 2.273 0.020 . 2 . . . . A 66 GLU HG3 . 25986 1 670 . 1 . 1 66 66 GLU CA C 13 57.081 0.400 . 1 . . . . A 66 GLU CA . 25986 1 671 . 1 . 1 66 66 GLU CB C 13 29.416 0.400 . 1 . . . . A 66 GLU CB . 25986 1 672 . 1 . 1 66 66 GLU CG C 13 36.521 0.400 . 1 . . . . A 66 GLU CG . 25986 1 673 . 1 . 1 66 66 GLU N N 15 121.241 0.400 . 1 . . . . A 66 GLU N . 25986 1 674 . 1 . 1 67 67 GLY H H 1 8.084 0.020 . 1 . . . . A 67 GLY H . 25986 1 675 . 1 . 1 67 67 GLY HA2 H 1 3.715 0.020 . 2 . . . . A 67 GLY HA2 . 25986 1 676 . 1 . 1 67 67 GLY HA3 H 1 3.845 0.020 . 2 . . . . A 67 GLY HA3 . 25986 1 677 . 1 . 1 67 67 GLY CA C 13 45.073 0.400 . 1 . . . . A 67 GLY CA . 25986 1 678 . 1 . 1 67 67 GLY N N 15 110.793 0.400 . 1 . . . . A 67 GLY N . 25986 1 679 . 1 . 1 68 68 ILE H H 1 8.374 0.020 . 1 . . . . A 68 ILE H . 25986 1 680 . 1 . 1 68 68 ILE HA H 1 4.416 0.020 . 1 . . . . A 68 ILE HA . 25986 1 681 . 1 . 1 68 68 ILE HB H 1 1.316 0.020 . 1 . . . . A 68 ILE HB . 25986 1 682 . 1 . 1 68 68 ILE HG12 H 1 1.444 0.020 . 2 . . . . A 68 ILE HG12 . 25986 1 683 . 1 . 1 68 68 ILE HG13 H 1 1.006 0.020 . 2 . . . . A 68 ILE HG13 . 25986 1 684 . 1 . 1 68 68 ILE HG21 H 1 0.829 0.020 . 1 . . . . A 68 ILE HG21 . 25986 1 685 . 1 . 1 68 68 ILE HG22 H 1 0.829 0.020 . 1 . . . . A 68 ILE HG22 . 25986 1 686 . 1 . 1 68 68 ILE HG23 H 1 0.829 0.020 . 1 . . . . A 68 ILE HG23 . 25986 1 687 . 1 . 1 68 68 ILE HD11 H 1 0.705 0.020 . 1 . . . . A 68 ILE HD11 . 25986 1 688 . 1 . 1 68 68 ILE HD12 H 1 0.705 0.020 . 1 . . . . A 68 ILE HD12 . 25986 1 689 . 1 . 1 68 68 ILE HD13 H 1 0.705 0.020 . 1 . . . . A 68 ILE HD13 . 25986 1 690 . 1 . 1 68 68 ILE CA C 13 60.827 0.400 . 1 . . . . A 68 ILE CA . 25986 1 691 . 1 . 1 68 68 ILE CB C 13 38.943 0.400 . 1 . . . . A 68 ILE CB . 25986 1 692 . 1 . 1 68 68 ILE CG1 C 13 27.644 0.400 . 1 . . . . A 68 ILE CG1 . 25986 1 693 . 1 . 1 68 68 ILE CG2 C 13 18.094 0.400 . 1 . . . . A 68 ILE CG2 . 25986 1 694 . 1 . 1 68 68 ILE CD1 C 13 13.743 0.400 . 1 . . . . A 68 ILE CD1 . 25986 1 695 . 1 . 1 68 68 ILE N N 15 121.208 0.400 . 1 . . . . A 68 ILE N . 25986 1 696 . 1 . 1 69 69 TYR H H 1 8.793 0.020 . 1 . . . . A 69 TYR H . 25986 1 697 . 1 . 1 69 69 TYR HA H 1 5.312 0.020 . 1 . . . . A 69 TYR HA . 25986 1 698 . 1 . 1 69 69 TYR HB2 H 1 1.465 0.020 . 2 . . . . A 69 TYR HB2 . 25986 1 699 . 1 . 1 69 69 TYR HB3 H 1 2.204 0.020 . 2 . . . . A 69 TYR HB3 . 25986 1 700 . 1 . 1 69 69 TYR HD1 H 1 6.329 0.020 . 1 . . . . A 69 TYR HD1 . 25986 1 701 . 1 . 1 69 69 TYR HD2 H 1 6.329 0.020 . 1 . . . . A 69 TYR HD2 . 25986 1 702 . 1 . 1 69 69 TYR HE1 H 1 6.329 0.020 . 1 . . . . A 69 TYR HE1 . 25986 1 703 . 1 . 1 69 69 TYR HE2 H 1 6.329 0.020 . 1 . . . . A 69 TYR HE2 . 25986 1 704 . 1 . 1 69 69 TYR CA C 13 56.226 0.400 . 1 . . . . A 69 TYR CA . 25986 1 705 . 1 . 1 69 69 TYR CB C 13 42.478 0.400 . 1 . . . . A 69 TYR CB . 25986 1 706 . 1 . 1 69 69 TYR N N 15 124.913 0.400 . 1 . . . . A 69 TYR N . 25986 1 707 . 1 . 1 70 70 LYS H H 1 8.690 0.020 . 1 . . . . A 70 LYS H . 25986 1 708 . 1 . 1 70 70 LYS HA H 1 5.212 0.020 . 1 . . . . A 70 LYS HA . 25986 1 709 . 1 . 1 70 70 LYS HB2 H 1 0.585 0.020 . 2 . . . . A 70 LYS HB2 . 25986 1 710 . 1 . 1 70 70 LYS HB3 H 1 0.372 0.020 . 2 . . . . A 70 LYS HB3 . 25986 1 711 . 1 . 1 70 70 LYS HD2 H 1 0.782 0.020 . 2 . . . . A 70 LYS HD2 . 25986 1 712 . 1 . 1 70 70 LYS HD3 H 1 0.504 0.020 . 2 . . . . A 70 LYS HD3 . 25986 1 713 . 1 . 1 70 70 LYS HE2 H 1 1.341 0.020 . 2 . . . . A 70 LYS HE2 . 25986 1 714 . 1 . 1 70 70 LYS HE3 H 1 0.915 0.020 . 2 . . . . A 70 LYS HE3 . 25986 1 715 . 1 . 1 70 70 LYS CA C 13 53.547 0.400 . 1 . . . . A 70 LYS CA . 25986 1 716 . 1 . 1 70 70 LYS CD C 13 28.171 0.400 . 1 . . . . A 70 LYS CD . 25986 1 717 . 1 . 1 70 70 LYS CE C 13 40.739 0.400 . 1 . . . . A 70 LYS CE . 25986 1 718 . 1 . 1 70 70 LYS N N 15 118.678 0.400 . 1 . . . . A 70 LYS N . 25986 1 719 . 1 . 1 71 71 VAL H H 1 9.282 0.020 . 1 . . . . A 71 VAL H . 25986 1 720 . 1 . 1 71 71 VAL HA H 1 4.683 0.020 . 1 . . . . A 71 VAL HA . 25986 1 721 . 1 . 1 71 71 VAL HB H 1 2.014 0.020 . 1 . . . . A 71 VAL HB . 25986 1 722 . 1 . 1 71 71 VAL HG11 H 1 0.719 0.020 . 2 . . . . A 71 VAL HG11 . 25986 1 723 . 1 . 1 71 71 VAL HG12 H 1 0.719 0.020 . 2 . . . . A 71 VAL HG12 . 25986 1 724 . 1 . 1 71 71 VAL HG13 H 1 0.719 0.020 . 2 . . . . A 71 VAL HG13 . 25986 1 725 . 1 . 1 71 71 VAL HG21 H 1 1.020 0.020 . 2 . . . . A 71 VAL HG21 . 25986 1 726 . 1 . 1 71 71 VAL HG22 H 1 1.020 0.020 . 2 . . . . A 71 VAL HG22 . 25986 1 727 . 1 . 1 71 71 VAL HG23 H 1 1.020 0.020 . 2 . . . . A 71 VAL HG23 . 25986 1 728 . 1 . 1 71 71 VAL CA C 13 61.231 0.400 . 1 . . . . A 71 VAL CA . 25986 1 729 . 1 . 1 71 71 VAL CB C 13 33.150 0.400 . 1 . . . . A 71 VAL CB . 25986 1 730 . 1 . 1 71 71 VAL CG1 C 13 21.375 0.400 . 1 . . . . A 71 VAL CG1 . 25986 1 731 . 1 . 1 71 71 VAL CG2 C 13 21.633 0.400 . 1 . . . . A 71 VAL CG2 . 25986 1 732 . 1 . 1 71 71 VAL N N 15 126.662 0.400 . 1 . . . . A 71 VAL N . 25986 1 733 . 1 . 1 72 72 GLU H H 1 9.614 0.020 . 1 . . . . A 72 GLU H . 25986 1 734 . 1 . 1 72 72 GLU HA H 1 5.093 0.020 . 1 . . . . A 72 GLU HA . 25986 1 735 . 1 . 1 72 72 GLU HB2 H 1 1.990 0.020 . 2 . . . . A 72 GLU HB2 . 25986 1 736 . 1 . 1 72 72 GLU HB3 H 1 2.224 0.020 . 2 . . . . A 72 GLU HB3 . 25986 1 737 . 1 . 1 72 72 GLU HG2 H 1 2.008 0.020 . 2 . . . . A 72 GLU HG2 . 25986 1 738 . 1 . 1 72 72 GLU HG3 H 1 2.129 0.020 . 2 . . . . A 72 GLU HG3 . 25986 1 739 . 1 . 1 72 72 GLU CA C 13 54.802 0.400 . 1 . . . . A 72 GLU CA . 25986 1 740 . 1 . 1 72 72 GLU CB C 13 33.299 0.400 . 1 . . . . A 72 GLU CB . 25986 1 741 . 1 . 1 72 72 GLU CG C 13 36.792 0.400 . 1 . . . . A 72 GLU CG . 25986 1 742 . 1 . 1 72 72 GLU N N 15 126.653 0.400 . 1 . . . . A 72 GLU N . 25986 1 743 . 1 . 1 73 73 ILE H H 1 9.115 0.020 . 1 . . . . A 73 ILE H . 25986 1 744 . 1 . 1 73 73 ILE HA H 1 4.559 0.020 . 1 . . . . A 73 ILE HA . 25986 1 745 . 1 . 1 73 73 ILE HB H 1 1.702 0.020 . 1 . . . . A 73 ILE HB . 25986 1 746 . 1 . 1 73 73 ILE HG12 H 1 1.320 0.020 . 2 . . . . A 73 ILE HG12 . 25986 1 747 . 1 . 1 73 73 ILE HG13 H 1 0.848 0.020 . 2 . . . . A 73 ILE HG13 . 25986 1 748 . 1 . 1 73 73 ILE HG21 H 1 0.578 0.020 . 1 . . . . A 73 ILE HG21 . 25986 1 749 . 1 . 1 73 73 ILE HG22 H 1 0.578 0.020 . 1 . . . . A 73 ILE HG22 . 25986 1 750 . 1 . 1 73 73 ILE HG23 H 1 0.578 0.020 . 1 . . . . A 73 ILE HG23 . 25986 1 751 . 1 . 1 73 73 ILE HD11 H 1 0.484 0.020 . 1 . . . . A 73 ILE HD11 . 25986 1 752 . 1 . 1 73 73 ILE HD12 H 1 0.484 0.020 . 1 . . . . A 73 ILE HD12 . 25986 1 753 . 1 . 1 73 73 ILE HD13 H 1 0.484 0.020 . 1 . . . . A 73 ILE HD13 . 25986 1 754 . 1 . 1 73 73 ILE CA C 13 60.040 0.400 . 1 . . . . A 73 ILE CA . 25986 1 755 . 1 . 1 73 73 ILE CB C 13 39.733 0.400 . 1 . . . . A 73 ILE CB . 25986 1 756 . 1 . 1 73 73 ILE CG1 C 13 28.182 0.400 . 1 . . . . A 73 ILE CG1 . 25986 1 757 . 1 . 1 73 73 ILE CG2 C 13 18.862 0.400 . 1 . . . . A 73 ILE CG2 . 25986 1 758 . 1 . 1 73 73 ILE CD1 C 13 13.675 0.400 . 1 . . . . A 73 ILE CD1 . 25986 1 759 . 1 . 1 73 73 ILE N N 15 125.137 0.400 . 1 . . . . A 73 ILE N . 25986 1 760 . 1 . 1 74 74 ASP H H 1 8.725 0.020 . 1 . . . . A 74 ASP H . 25986 1 761 . 1 . 1 74 74 ASP HA H 1 5.044 0.020 . 1 . . . . A 74 ASP HA . 25986 1 762 . 1 . 1 74 74 ASP HB2 H 1 3.236 0.020 . 2 . . . . A 74 ASP HB2 . 25986 1 763 . 1 . 1 74 74 ASP HB3 H 1 2.852 0.020 . 2 . . . . A 74 ASP HB3 . 25986 1 764 . 1 . 1 74 74 ASP CA C 13 53.458 0.400 . 1 . . . . A 74 ASP CA . 25986 1 765 . 1 . 1 74 74 ASP CB C 13 39.983 0.400 . 1 . . . . A 74 ASP CB . 25986 1 766 . 1 . 1 74 74 ASP N N 15 127.174 0.400 . 1 . . . . A 74 ASP N . 25986 1 767 . 1 . 1 75 75 THR H H 1 8.270 0.020 . 1 . . . . A 75 THR H . 25986 1 768 . 1 . 1 75 75 THR HA H 1 4.036 0.020 . 1 . . . . A 75 THR HA . 25986 1 769 . 1 . 1 75 75 THR HB H 1 4.439 0.020 . 1 . . . . A 75 THR HB . 25986 1 770 . 1 . 1 75 75 THR HG21 H 1 1.141 0.020 . 1 . . . . A 75 THR HG21 . 25986 1 771 . 1 . 1 75 75 THR HG22 H 1 1.141 0.020 . 1 . . . . A 75 THR HG22 . 25986 1 772 . 1 . 1 75 75 THR HG23 H 1 1.141 0.020 . 1 . . . . A 75 THR HG23 . 25986 1 773 . 1 . 1 75 75 THR CA C 13 63.047 0.400 . 1 . . . . A 75 THR CA . 25986 1 774 . 1 . 1 75 75 THR CB C 13 67.587 0.400 . 1 . . . . A 75 THR CB . 25986 1 775 . 1 . 1 75 75 THR CG2 C 13 23.860 0.400 . 1 . . . . A 75 THR CG2 . 25986 1 776 . 1 . 1 75 75 THR N N 15 117.469 0.400 . 1 . . . . A 75 THR N . 25986 1 777 . 1 . 1 76 76 LYS H H 1 8.290 0.020 . 1 . . . . A 76 LYS H . 25986 1 778 . 1 . 1 76 76 LYS HA H 1 4.127 0.020 . 1 . . . . A 76 LYS HA . 25986 1 779 . 1 . 1 76 76 LYS HB2 H 1 2.092 0.020 . 1 . . . . A 76 LYS HB2 . 25986 1 780 . 1 . 1 76 76 LYS HB3 H 1 2.092 0.020 . 1 . . . . A 76 LYS HB3 . 25986 1 781 . 1 . 1 76 76 LYS HG2 H 1 1.508 0.020 . 2 . . . . A 76 LYS HG2 . 25986 1 782 . 1 . 1 76 76 LYS HG3 H 1 1.476 0.020 . 2 . . . . A 76 LYS HG3 . 25986 1 783 . 1 . 1 76 76 LYS HD2 H 1 1.743 0.020 . 1 . . . . A 76 LYS HD2 . 25986 1 784 . 1 . 1 76 76 LYS HD3 H 1 1.743 0.020 . 1 . . . . A 76 LYS HD3 . 25986 1 785 . 1 . 1 76 76 LYS HE2 H 1 2.995 0.020 . 1 . . . . A 76 LYS HE2 . 25986 1 786 . 1 . 1 76 76 LYS HE3 H 1 2.995 0.020 . 1 . . . . A 76 LYS HE3 . 25986 1 787 . 1 . 1 76 76 LYS CA C 13 60.828 0.400 . 1 . . . . A 76 LYS CA . 25986 1 788 . 1 . 1 76 76 LYS CB C 13 32.473 0.400 . 1 . . . . A 76 LYS CB . 25986 1 789 . 1 . 1 76 76 LYS CG C 13 24.896 0.400 . 1 . . . . A 76 LYS CG . 25986 1 790 . 1 . 1 76 76 LYS CD C 13 29.418 0.400 . 1 . . . . A 76 LYS CD . 25986 1 791 . 1 . 1 76 76 LYS CE C 13 41.819 0.400 . 1 . . . . A 76 LYS CE . 25986 1 792 . 1 . 1 76 76 LYS N N 15 124.050 0.400 . 1 . . . . A 76 LYS N . 25986 1 793 . 1 . 1 77 77 SER H H 1 8.532 0.020 . 1 . . . . A 77 SER H . 25986 1 794 . 1 . 1 77 77 SER HA H 1 4.157 0.020 . 1 . . . . A 77 SER HA . 25986 1 795 . 1 . 1 77 77 SER HB2 H 1 3.855 0.020 . 1 . . . . A 77 SER HB2 . 25986 1 796 . 1 . 1 77 77 SER HB3 H 1 3.855 0.020 . 1 . . . . A 77 SER HB3 . 25986 1 797 . 1 . 1 77 77 SER CA C 13 61.497 0.400 . 1 . . . . A 77 SER CA . 25986 1 798 . 1 . 1 77 77 SER CB C 13 62.204 0.400 . 1 . . . . A 77 SER CB . 25986 1 799 . 1 . 1 77 77 SER N N 15 113.536 0.400 . 1 . . . . A 77 SER N . 25986 1 800 . 1 . 1 78 78 TYR H H 1 7.171 0.020 . 1 . . . . A 78 TYR H . 25986 1 801 . 1 . 1 78 78 TYR HA H 1 4.012 0.020 . 1 . . . . A 78 TYR HA . 25986 1 802 . 1 . 1 78 78 TYR HB2 H 1 2.768 0.020 . 2 . . . . A 78 TYR HB2 . 25986 1 803 . 1 . 1 78 78 TYR HB3 H 1 2.418 0.020 . 2 . . . . A 78 TYR HB3 . 25986 1 804 . 1 . 1 78 78 TYR CA C 13 60.902 0.400 . 1 . . . . A 78 TYR CA . 25986 1 805 . 1 . 1 78 78 TYR CB C 13 38.148 0.400 . 1 . . . . A 78 TYR CB . 25986 1 806 . 1 . 1 78 78 TYR N N 15 122.554 0.400 . 1 . . . . A 78 TYR N . 25986 1 807 . 1 . 1 79 79 TRP H H 1 7.907 0.020 . 1 . . . . A 79 TRP H . 25986 1 808 . 1 . 1 79 79 TRP HA H 1 4.390 0.020 . 1 . . . . A 79 TRP HA . 25986 1 809 . 1 . 1 79 79 TRP HB2 H 1 3.365 0.020 . 2 . . . . A 79 TRP HB2 . 25986 1 810 . 1 . 1 79 79 TRP HB3 H 1 2.896 0.020 . 2 . . . . A 79 TRP HB3 . 25986 1 811 . 1 . 1 79 79 TRP CA C 13 58.847 0.400 . 1 . . . . A 79 TRP CA . 25986 1 812 . 1 . 1 79 79 TRP CB C 13 29.127 0.400 . 1 . . . . A 79 TRP CB . 25986 1 813 . 1 . 1 79 79 TRP N N 15 116.861 0.400 . 1 . . . . A 79 TRP N . 25986 1 814 . 1 . 1 80 80 LYS H H 1 8.508 0.020 . 1 . . . . A 80 LYS H . 25986 1 815 . 1 . 1 80 80 LYS HA H 1 4.206 0.020 . 1 . . . . A 80 LYS HA . 25986 1 816 . 1 . 1 80 80 LYS HB2 H 1 1.846 0.020 . 2 . . . . A 80 LYS HB2 . 25986 1 817 . 1 . 1 80 80 LYS HB3 H 1 2.009 0.020 . 2 . . . . A 80 LYS HB3 . 25986 1 818 . 1 . 1 80 80 LYS HG2 H 1 1.515 0.020 . 2 . . . . A 80 LYS HG2 . 25986 1 819 . 1 . 1 80 80 LYS HG3 H 1 1.591 0.020 . 2 . . . . A 80 LYS HG3 . 25986 1 820 . 1 . 1 80 80 LYS HD2 H 1 1.703 0.020 . 1 . . . . A 80 LYS HD2 . 25986 1 821 . 1 . 1 80 80 LYS HD3 H 1 1.703 0.020 . 1 . . . . A 80 LYS HD3 . 25986 1 822 . 1 . 1 80 80 LYS HE2 H 1 2.976 0.020 . 1 . . . . A 80 LYS HE2 . 25986 1 823 . 1 . 1 80 80 LYS HE3 H 1 2.976 0.020 . 1 . . . . A 80 LYS HE3 . 25986 1 824 . 1 . 1 80 80 LYS CA C 13 59.436 0.400 . 1 . . . . A 80 LYS CA . 25986 1 825 . 1 . 1 80 80 LYS CB C 13 31.840 0.400 . 1 . . . . A 80 LYS CB . 25986 1 826 . 1 . 1 80 80 LYS CG C 13 25.005 0.400 . 1 . . . . A 80 LYS CG . 25986 1 827 . 1 . 1 80 80 LYS CD C 13 28.932 0.400 . 1 . . . . A 80 LYS CD . 25986 1 828 . 1 . 1 80 80 LYS CE C 13 41.799 0.400 . 1 . . . . A 80 LYS CE . 25986 1 829 . 1 . 1 80 80 LYS N N 15 119.775 0.400 . 1 . . . . A 80 LYS N . 25986 1 830 . 1 . 1 81 81 ALA H H 1 7.428 0.020 . 1 . . . . A 81 ALA H . 25986 1 831 . 1 . 1 81 81 ALA HA H 1 4.172 0.020 . 1 . . . . A 81 ALA HA . 25986 1 832 . 1 . 1 81 81 ALA HB1 H 1 1.431 0.020 . 1 . . . . A 81 ALA HB1 . 25986 1 833 . 1 . 1 81 81 ALA HB2 H 1 1.431 0.020 . 1 . . . . A 81 ALA HB2 . 25986 1 834 . 1 . 1 81 81 ALA HB3 H 1 1.431 0.020 . 1 . . . . A 81 ALA HB3 . 25986 1 835 . 1 . 1 81 81 ALA CA C 13 54.317 0.400 . 1 . . . . A 81 ALA CA . 25986 1 836 . 1 . 1 81 81 ALA CB C 13 17.818 0.400 . 1 . . . . A 81 ALA CB . 25986 1 837 . 1 . 1 81 81 ALA N N 15 121.451 0.400 . 1 . . . . A 81 ALA N . 25986 1 838 . 1 . 1 82 82 LEU H H 1 7.232 0.020 . 1 . . . . A 82 LEU H . 25986 1 839 . 1 . 1 82 82 LEU HA H 1 4.347 0.020 . 1 . . . . A 82 LEU HA . 25986 1 840 . 1 . 1 82 82 LEU HB2 H 1 1.812 0.020 . 2 . . . . A 82 LEU HB2 . 25986 1 841 . 1 . 1 82 82 LEU HB3 H 1 1.754 0.020 . 2 . . . . A 82 LEU HB3 . 25986 1 842 . 1 . 1 82 82 LEU HG H 1 1.352 0.020 . 1 . . . . A 82 LEU HG . 25986 1 843 . 1 . 1 82 82 LEU HD11 H 1 0.711 0.020 . 2 . . . . A 82 LEU HD11 . 25986 1 844 . 1 . 1 82 82 LEU HD12 H 1 0.711 0.020 . 2 . . . . A 82 LEU HD12 . 25986 1 845 . 1 . 1 82 82 LEU HD13 H 1 0.711 0.020 . 2 . . . . A 82 LEU HD13 . 25986 1 846 . 1 . 1 82 82 LEU HD21 H 1 0.445 0.020 . 2 . . . . A 82 LEU HD21 . 25986 1 847 . 1 . 1 82 82 LEU HD22 H 1 0.445 0.020 . 2 . . . . A 82 LEU HD22 . 25986 1 848 . 1 . 1 82 82 LEU HD23 H 1 0.445 0.020 . 2 . . . . A 82 LEU HD23 . 25986 1 849 . 1 . 1 82 82 LEU CA C 13 54.408 0.400 . 1 . . . . A 82 LEU CA . 25986 1 850 . 1 . 1 82 82 LEU CB C 13 42.849 0.400 . 1 . . . . A 82 LEU CB . 25986 1 851 . 1 . 1 82 82 LEU CG C 13 26.870 0.400 . 1 . . . . A 82 LEU CG . 25986 1 852 . 1 . 1 82 82 LEU CD1 C 13 22.709 0.400 . 1 . . . . A 82 LEU CD1 . 25986 1 853 . 1 . 1 82 82 LEU CD2 C 13 25.403 0.400 . 1 . . . . A 82 LEU CD2 . 25986 1 854 . 1 . 1 82 82 LEU N N 15 117.341 0.400 . 1 . . . . A 82 LEU N . 25986 1 855 . 1 . 1 83 83 GLY H H 1 7.957 0.020 . 1 . . . . A 83 GLY H . 25986 1 856 . 1 . 1 83 83 GLY HA2 H 1 3.829 0.020 . 2 . . . . A 83 GLY HA2 . 25986 1 857 . 1 . 1 83 83 GLY HA3 H 1 4.100 0.020 . 2 . . . . A 83 GLY HA3 . 25986 1 858 . 1 . 1 83 83 GLY CA C 13 45.628 0.400 . 1 . . . . A 83 GLY CA . 25986 1 859 . 1 . 1 83 83 GLY N N 15 107.965 0.400 . 1 . . . . A 83 GLY N . 25986 1 860 . 1 . 1 84 84 ILE H H 1 7.902 0.020 . 1 . . . . A 84 ILE H . 25986 1 861 . 1 . 1 84 84 ILE HA H 1 4.192 0.020 . 1 . . . . A 84 ILE HA . 25986 1 862 . 1 . 1 84 84 ILE HB H 1 1.795 0.020 . 1 . . . . A 84 ILE HB . 25986 1 863 . 1 . 1 84 84 ILE HG12 H 1 1.044 0.020 . 2 . . . . A 84 ILE HG12 . 25986 1 864 . 1 . 1 84 84 ILE HG13 H 1 1.463 0.020 . 2 . . . . A 84 ILE HG13 . 25986 1 865 . 1 . 1 84 84 ILE HG21 H 1 0.403 0.020 . 1 . . . . A 84 ILE HG21 . 25986 1 866 . 1 . 1 84 84 ILE HG22 H 1 0.403 0.020 . 1 . . . . A 84 ILE HG22 . 25986 1 867 . 1 . 1 84 84 ILE HG23 H 1 0.403 0.020 . 1 . . . . A 84 ILE HG23 . 25986 1 868 . 1 . 1 84 84 ILE HD11 H 1 0.856 0.020 . 1 . . . . A 84 ILE HD11 . 25986 1 869 . 1 . 1 84 84 ILE HD12 H 1 0.856 0.020 . 1 . . . . A 84 ILE HD12 . 25986 1 870 . 1 . 1 84 84 ILE HD13 H 1 0.856 0.020 . 1 . . . . A 84 ILE HD13 . 25986 1 871 . 1 . 1 84 84 ILE CA C 13 59.457 0.400 . 1 . . . . A 84 ILE CA . 25986 1 872 . 1 . 1 84 84 ILE CB C 13 41.234 0.400 . 1 . . . . A 84 ILE CB . 25986 1 873 . 1 . 1 84 84 ILE CG1 C 13 27.731 0.400 . 1 . . . . A 84 ILE CG1 . 25986 1 874 . 1 . 1 84 84 ILE CG2 C 13 16.775 0.400 . 1 . . . . A 84 ILE CG2 . 25986 1 875 . 1 . 1 84 84 ILE CD1 C 13 13.385 0.400 . 1 . . . . A 84 ILE CD1 . 25986 1 876 . 1 . 1 84 84 ILE N N 15 122.041 0.400 . 1 . . . . A 84 ILE N . 25986 1 877 . 1 . 1 85 85 SER H H 1 8.533 0.020 . 1 . . . . A 85 SER H . 25986 1 878 . 1 . 1 85 85 SER HA H 1 4.853 0.020 . 1 . . . . A 85 SER HA . 25986 1 879 . 1 . 1 85 85 SER HB2 H 1 3.866 0.020 . 2 . . . . A 85 SER HB2 . 25986 1 880 . 1 . 1 85 85 SER HB3 H 1 3.719 0.020 . 2 . . . . A 85 SER HB3 . 25986 1 881 . 1 . 1 85 85 SER CA C 13 54.511 0.400 . 1 . . . . A 85 SER CA . 25986 1 882 . 1 . 1 85 85 SER CB C 13 62.906 0.400 . 1 . . . . A 85 SER CB . 25986 1 883 . 1 . 1 85 85 SER N N 15 122.558 0.400 . 1 . . . . A 85 SER N . 25986 1 884 . 1 . 1 87 87 MET H H 1 7.929 0.020 . 1 . . . . A 87 MET H . 25986 1 885 . 1 . 1 87 87 MET HE1 H 1 1.946 0.020 . 1 . . . . A 87 MET HE1 . 25986 1 886 . 1 . 1 87 87 MET HE2 H 1 1.946 0.020 . 1 . . . . A 87 MET HE2 . 25986 1 887 . 1 . 1 87 87 MET HE3 H 1 1.946 0.020 . 1 . . . . A 87 MET HE3 . 25986 1 888 . 1 . 1 87 87 MET CE C 13 17.163 0.400 . 1 . . . . A 87 MET CE . 25986 1 889 . 1 . 1 87 87 MET N N 15 118.893 0.400 . 1 . . . . A 87 MET N . 25986 1 890 . 1 . 1 90 90 HIS H H 1 8.598 0.020 . 1 . . . . A 90 HIS H . 25986 1 891 . 1 . 1 90 90 HIS HA H 1 5.339 0.020 . 1 . . . . A 90 HIS HA . 25986 1 892 . 1 . 1 90 90 HIS HB2 H 1 3.291 0.020 . 2 . . . . A 90 HIS HB2 . 25986 1 893 . 1 . 1 90 90 HIS HB3 H 1 3.193 0.020 . 2 . . . . A 90 HIS HB3 . 25986 1 894 . 1 . 1 90 90 HIS CA C 13 54.925 0.400 . 1 . . . . A 90 HIS CA . 25986 1 895 . 1 . 1 90 90 HIS CB C 13 31.479 0.400 . 1 . . . . A 90 HIS CB . 25986 1 896 . 1 . 1 90 90 HIS N N 15 124.619 0.400 . 1 . . . . A 90 HIS N . 25986 1 897 . 1 . 1 92 92 GLU H H 1 8.399 0.020 . 1 . . . . A 92 GLU H . 25986 1 898 . 1 . 1 92 92 GLU HA H 1 5.728 0.020 . 1 . . . . A 92 GLU HA . 25986 1 899 . 1 . 1 92 92 GLU HB2 H 1 1.734 0.020 . 2 . . . . A 92 GLU HB2 . 25986 1 900 . 1 . 1 92 92 GLU HB3 H 1 1.943 0.020 . 2 . . . . A 92 GLU HB3 . 25986 1 901 . 1 . 1 92 92 GLU HG2 H 1 2.042 0.020 . 2 . . . . A 92 GLU HG2 . 25986 1 902 . 1 . 1 92 92 GLU HG3 H 1 1.910 0.020 . 2 . . . . A 92 GLU HG3 . 25986 1 903 . 1 . 1 92 92 GLU CA C 13 54.256 0.400 . 1 . . . . A 92 GLU CA . 25986 1 904 . 1 . 1 92 92 GLU CB C 13 34.060 0.400 . 1 . . . . A 92 GLU CB . 25986 1 905 . 1 . 1 92 92 GLU CG C 13 35.552 0.400 . 1 . . . . A 92 GLU CG . 25986 1 906 . 1 . 1 92 92 GLU N N 15 119.602 0.400 . 1 . . . . A 92 GLU N . 25986 1 907 . 1 . 1 93 93 VAL H H 1 8.564 0.020 . 1 . . . . A 93 VAL H . 25986 1 908 . 1 . 1 93 93 VAL HA H 1 4.549 0.020 . 1 . . . . A 93 VAL HA . 25986 1 909 . 1 . 1 93 93 VAL HB H 1 2.033 0.020 . 1 . . . . A 93 VAL HB . 25986 1 910 . 1 . 1 93 93 VAL HG11 H 1 0.986 0.020 . 2 . . . . A 93 VAL HG11 . 25986 1 911 . 1 . 1 93 93 VAL HG12 H 1 0.986 0.020 . 2 . . . . A 93 VAL HG12 . 25986 1 912 . 1 . 1 93 93 VAL HG13 H 1 0.986 0.020 . 2 . . . . A 93 VAL HG13 . 25986 1 913 . 1 . 1 93 93 VAL HG21 H 1 0.821 0.020 . 2 . . . . A 93 VAL HG21 . 25986 1 914 . 1 . 1 93 93 VAL HG22 H 1 0.821 0.020 . 2 . . . . A 93 VAL HG22 . 25986 1 915 . 1 . 1 93 93 VAL HG23 H 1 0.821 0.020 . 2 . . . . A 93 VAL HG23 . 25986 1 916 . 1 . 1 93 93 VAL CA C 13 60.569 0.400 . 1 . . . . A 93 VAL CA . 25986 1 917 . 1 . 1 93 93 VAL CB C 13 34.797 0.400 . 1 . . . . A 93 VAL CB . 25986 1 918 . 1 . 1 93 93 VAL CG1 C 13 21.704 0.400 . 1 . . . . A 93 VAL CG1 . 25986 1 919 . 1 . 1 93 93 VAL CG2 C 13 20.745 0.400 . 1 . . . . A 93 VAL CG2 . 25986 1 920 . 1 . 1 93 93 VAL N N 15 119.257 0.400 . 1 . . . . A 93 VAL N . 25986 1 921 . 1 . 1 94 94 VAL H H 1 8.500 0.020 . 1 . . . . A 94 VAL H . 25986 1 922 . 1 . 1 94 94 VAL HA H 1 5.288 0.020 . 1 . . . . A 94 VAL HA . 25986 1 923 . 1 . 1 94 94 VAL HB H 1 1.923 0.020 . 1 . . . . A 94 VAL HB . 25986 1 924 . 1 . 1 94 94 VAL HG11 H 1 1.019 0.020 . 2 . . . . A 94 VAL HG11 . 25986 1 925 . 1 . 1 94 94 VAL HG12 H 1 1.019 0.020 . 2 . . . . A 94 VAL HG12 . 25986 1 926 . 1 . 1 94 94 VAL HG13 H 1 1.019 0.020 . 2 . . . . A 94 VAL HG13 . 25986 1 927 . 1 . 1 94 94 VAL HG21 H 1 0.840 0.020 . 2 . . . . A 94 VAL HG21 . 25986 1 928 . 1 . 1 94 94 VAL HG22 H 1 0.840 0.020 . 2 . . . . A 94 VAL HG22 . 25986 1 929 . 1 . 1 94 94 VAL HG23 H 1 0.840 0.020 . 2 . . . . A 94 VAL HG23 . 25986 1 930 . 1 . 1 94 94 VAL CA C 13 60.697 0.400 . 1 . . . . A 94 VAL CA . 25986 1 931 . 1 . 1 94 94 VAL CB C 13 33.885 0.400 . 1 . . . . A 94 VAL CB . 25986 1 932 . 1 . 1 94 94 VAL CG1 C 13 21.516 0.400 . 1 . . . . A 94 VAL CG1 . 25986 1 933 . 1 . 1 94 94 VAL CG2 C 13 21.444 0.400 . 1 . . . . A 94 VAL CG2 . 25986 1 934 . 1 . 1 94 94 VAL N N 15 128.122 0.400 . 1 . . . . A 94 VAL N . 25986 1 935 . 1 . 1 95 95 PHE H H 1 9.373 0.020 . 1 . . . . A 95 PHE H . 25986 1 936 . 1 . 1 95 95 PHE HA H 1 5.121 0.020 . 1 . . . . A 95 PHE HA . 25986 1 937 . 1 . 1 95 95 PHE HB2 H 1 3.082 0.020 . 2 . . . . A 95 PHE HB2 . 25986 1 938 . 1 . 1 95 95 PHE HB3 H 1 3.014 0.020 . 2 . . . . A 95 PHE HB3 . 25986 1 939 . 1 . 1 95 95 PHE HD1 H 1 6.740 0.020 . 1 . . . . A 95 PHE HD1 . 25986 1 940 . 1 . 1 95 95 PHE HD2 H 1 6.740 0.020 . 1 . . . . A 95 PHE HD2 . 25986 1 941 . 1 . 1 95 95 PHE HE1 H 1 6.740 0.020 . 1 . . . . A 95 PHE HE1 . 25986 1 942 . 1 . 1 95 95 PHE HE2 H 1 6.740 0.020 . 1 . . . . A 95 PHE HE2 . 25986 1 943 . 1 . 1 95 95 PHE HZ H 1 6.740 0.020 . 1 . . . . A 95 PHE HZ . 25986 1 944 . 1 . 1 95 95 PHE CA C 13 55.683 0.400 . 1 . . . . A 95 PHE CA . 25986 1 945 . 1 . 1 95 95 PHE CB C 13 41.564 0.400 . 1 . . . . A 95 PHE CB . 25986 1 946 . 1 . 1 95 95 PHE N N 15 124.591 0.400 . 1 . . . . A 95 PHE N . 25986 1 947 . 1 . 1 96 96 THR H H 1 8.617 0.020 . 1 . . . . A 96 THR H . 25986 1 948 . 1 . 1 96 96 THR HA H 1 4.618 0.020 . 1 . . . . A 96 THR HA . 25986 1 949 . 1 . 1 96 96 THR HB H 1 4.016 0.020 . 1 . . . . A 96 THR HB . 25986 1 950 . 1 . 1 96 96 THR HG21 H 1 1.076 0.020 . 1 . . . . A 96 THR HG21 . 25986 1 951 . 1 . 1 96 96 THR HG22 H 1 1.076 0.020 . 1 . . . . A 96 THR HG22 . 25986 1 952 . 1 . 1 96 96 THR HG23 H 1 1.076 0.020 . 1 . . . . A 96 THR HG23 . 25986 1 953 . 1 . 1 96 96 THR CA C 13 61.735 0.400 . 1 . . . . A 96 THR CA . 25986 1 954 . 1 . 1 96 96 THR CB C 13 69.497 0.400 . 1 . . . . A 96 THR CB . 25986 1 955 . 1 . 1 96 96 THR CG2 C 13 21.645 0.400 . 1 . . . . A 96 THR CG2 . 25986 1 956 . 1 . 1 96 96 THR N N 15 116.637 0.400 . 1 . . . . A 96 THR N . 25986 1 957 . 1 . 1 97 97 ALA H H 1 9.113 0.020 . 1 . . . . A 97 ALA H . 25986 1 958 . 1 . 1 97 97 ALA HA H 1 4.832 0.020 . 1 . . . . A 97 ALA HA . 25986 1 959 . 1 . 1 97 97 ALA HB1 H 1 0.820 0.020 . 1 . . . . A 97 ALA HB1 . 25986 1 960 . 1 . 1 97 97 ALA HB2 H 1 0.820 0.020 . 1 . . . . A 97 ALA HB2 . 25986 1 961 . 1 . 1 97 97 ALA HB3 H 1 0.820 0.020 . 1 . . . . A 97 ALA HB3 . 25986 1 962 . 1 . 1 97 97 ALA CA C 13 50.062 0.400 . 1 . . . . A 97 ALA CA . 25986 1 963 . 1 . 1 97 97 ALA N N 15 129.910 0.400 . 1 . . . . A 97 ALA N . 25986 1 964 . 1 . 1 99 99 ASP H H 1 8.864 0.020 . 1 . . . . A 99 ASP H . 25986 1 965 . 1 . 1 99 99 ASP HA H 1 4.523 0.020 . 1 . . . . A 99 ASP HA . 25986 1 966 . 1 . 1 99 99 ASP HB2 H 1 2.691 0.020 . 2 . . . . A 99 ASP HB2 . 25986 1 967 . 1 . 1 99 99 ASP HB3 H 1 2.591 0.020 . 2 . . . . A 99 ASP HB3 . 25986 1 968 . 1 . 1 99 99 ASP CA C 13 54.688 0.400 . 1 . . . . A 99 ASP CA . 25986 1 969 . 1 . 1 99 99 ASP CB C 13 40.784 0.400 . 1 . . . . A 99 ASP CB . 25986 1 970 . 1 . 1 99 99 ASP N N 15 118.074 0.400 . 1 . . . . A 99 ASP N . 25986 1 971 . 1 . 1 100 100 SER HA H 1 4.579 0.020 . 1 . . . . A 100 SER HA . 25986 1 972 . 1 . 1 100 100 SER HB2 H 1 3.878 0.020 . 1 . . . . A 100 SER HB2 . 25986 1 973 . 1 . 1 100 100 SER HB3 H 1 3.878 0.020 . 1 . . . . A 100 SER HB3 . 25986 1 974 . 1 . 1 100 100 SER CA C 13 57.620 0.400 . 1 . . . . A 100 SER CA . 25986 1 975 . 1 . 1 100 100 SER CB C 13 63.292 0.400 . 1 . . . . A 100 SER CB . 25986 1 976 . 1 . 1 105 105 TYR HA H 1 4.895 0.020 . 1 . . . . A 105 TYR HA . 25986 1 977 . 1 . 1 105 105 TYR HB2 H 1 2.614 0.020 . 2 . . . . A 105 TYR HB2 . 25986 1 978 . 1 . 1 105 105 TYR HB3 H 1 2.253 0.020 . 2 . . . . A 105 TYR HB3 . 25986 1 979 . 1 . 1 105 105 TYR CA C 13 57.341 0.400 . 1 . . . . A 105 TYR CA . 25986 1 980 . 1 . 1 106 106 THR H H 1 8.975 0.020 . 1 . . . . A 106 THR H . 25986 1 981 . 1 . 1 106 106 THR HA H 1 4.916 0.020 . 1 . . . . A 106 THR HA . 25986 1 982 . 1 . 1 106 106 THR HB H 1 3.813 0.020 . 1 . . . . A 106 THR HB . 25986 1 983 . 1 . 1 106 106 THR HG21 H 1 0.917 0.020 . 1 . . . . A 106 THR HG21 . 25986 1 984 . 1 . 1 106 106 THR HG22 H 1 0.917 0.020 . 1 . . . . A 106 THR HG22 . 25986 1 985 . 1 . 1 106 106 THR HG23 H 1 0.917 0.020 . 1 . . . . A 106 THR HG23 . 25986 1 986 . 1 . 1 106 106 THR CA C 13 61.268 0.400 . 1 . . . . A 106 THR CA . 25986 1 987 . 1 . 1 106 106 THR CB C 13 70.457 0.400 . 1 . . . . A 106 THR CB . 25986 1 988 . 1 . 1 106 106 THR CG2 C 13 21.021 0.400 . 1 . . . . A 106 THR CG2 . 25986 1 989 . 1 . 1 106 106 THR N N 15 119.704 0.400 . 1 . . . . A 106 THR N . 25986 1 990 . 1 . 1 107 107 ILE H H 1 8.977 0.020 . 1 . . . . A 107 ILE H . 25986 1 991 . 1 . 1 107 107 ILE HA H 1 4.807 0.020 . 1 . . . . A 107 ILE HA . 25986 1 992 . 1 . 1 107 107 ILE HB H 1 1.876 0.020 . 1 . . . . A 107 ILE HB . 25986 1 993 . 1 . 1 107 107 ILE HG12 H 1 1.189 0.020 . 2 . . . . A 107 ILE HG12 . 25986 1 994 . 1 . 1 107 107 ILE HG13 H 1 1.045 0.020 . 2 . . . . A 107 ILE HG13 . 25986 1 995 . 1 . 1 107 107 ILE HG21 H 1 0.632 0.020 . 1 . . . . A 107 ILE HG21 . 25986 1 996 . 1 . 1 107 107 ILE HG22 H 1 0.632 0.020 . 1 . . . . A 107 ILE HG22 . 25986 1 997 . 1 . 1 107 107 ILE HG23 H 1 0.632 0.020 . 1 . . . . A 107 ILE HG23 . 25986 1 998 . 1 . 1 107 107 ILE HD11 H 1 0.349 0.020 . 1 . . . . A 107 ILE HD11 . 25986 1 999 . 1 . 1 107 107 ILE HD12 H 1 0.349 0.020 . 1 . . . . A 107 ILE HD12 . 25986 1 1000 . 1 . 1 107 107 ILE HD13 H 1 0.349 0.020 . 1 . . . . A 107 ILE HD13 . 25986 1 1001 . 1 . 1 107 107 ILE CA C 13 58.751 0.400 . 1 . . . . A 107 ILE CA . 25986 1 1002 . 1 . 1 107 107 ILE CB C 13 37.797 0.400 . 1 . . . . A 107 ILE CB . 25986 1 1003 . 1 . 1 107 107 ILE CG1 C 13 29.542 0.400 . 1 . . . . A 107 ILE CG1 . 25986 1 1004 . 1 . 1 107 107 ILE CG2 C 13 18.499 0.400 . 1 . . . . A 107 ILE CG2 . 25986 1 1005 . 1 . 1 107 107 ILE CD1 C 13 13.129 0.400 . 1 . . . . A 107 ILE CD1 . 25986 1 1006 . 1 . 1 107 107 ILE N N 15 129.015 0.400 . 1 . . . . A 107 ILE N . 25986 1 1007 . 1 . 1 108 108 ALA H H 1 8.800 0.020 . 1 . . . . A 108 ALA H . 25986 1 1008 . 1 . 1 108 108 ALA HA H 1 5.419 0.020 . 1 . . . . A 108 ALA HA . 25986 1 1009 . 1 . 1 108 108 ALA HB1 H 1 1.180 0.020 . 1 . . . . A 108 ALA HB1 . 25986 1 1010 . 1 . 1 108 108 ALA HB2 H 1 1.180 0.020 . 1 . . . . A 108 ALA HB2 . 25986 1 1011 . 1 . 1 108 108 ALA HB3 H 1 1.180 0.020 . 1 . . . . A 108 ALA HB3 . 25986 1 1012 . 1 . 1 108 108 ALA CA C 13 49.712 0.400 . 1 . . . . A 108 ALA CA . 25986 1 1013 . 1 . 1 108 108 ALA CB C 13 21.067 0.400 . 1 . . . . A 108 ALA CB . 25986 1 1014 . 1 . 1 108 108 ALA N N 15 130.079 0.400 . 1 . . . . A 108 ALA N . 25986 1 1015 . 1 . 1 109 109 ALA H H 1 8.753 0.020 . 1 . . . . A 109 ALA H . 25986 1 1016 . 1 . 1 109 109 ALA HA H 1 5.316 0.020 . 1 . . . . A 109 ALA HA . 25986 1 1017 . 1 . 1 109 109 ALA HB1 H 1 1.106 0.020 . 1 . . . . A 109 ALA HB1 . 25986 1 1018 . 1 . 1 109 109 ALA HB2 H 1 1.106 0.020 . 1 . . . . A 109 ALA HB2 . 25986 1 1019 . 1 . 1 109 109 ALA HB3 H 1 1.106 0.020 . 1 . . . . A 109 ALA HB3 . 25986 1 1020 . 1 . 1 109 109 ALA CA C 13 49.931 0.400 . 1 . . . . A 109 ALA CA . 25986 1 1021 . 1 . 1 109 109 ALA CB C 13 22.799 0.400 . 1 . . . . A 109 ALA CB . 25986 1 1022 . 1 . 1 109 109 ALA N N 15 124.925 0.400 . 1 . . . . A 109 ALA N . 25986 1 1023 . 1 . 1 110 110 MET H H 1 8.812 0.020 . 1 . . . . A 110 MET H . 25986 1 1024 . 1 . 1 110 110 MET HA H 1 4.997 0.020 . 1 . . . . A 110 MET HA . 25986 1 1025 . 1 . 1 110 110 MET HB2 H 1 2.171 0.020 . 2 . . . . A 110 MET HB2 . 25986 1 1026 . 1 . 1 110 110 MET HB3 H 1 1.871 0.020 . 2 . . . . A 110 MET HB3 . 25986 1 1027 . 1 . 1 110 110 MET HG2 H 1 2.467 0.020 . 2 . . . . A 110 MET HG2 . 25986 1 1028 . 1 . 1 110 110 MET HG3 H 1 2.445 0.020 . 2 . . . . A 110 MET HG3 . 25986 1 1029 . 1 . 1 110 110 MET HE1 H 1 1.967 0.020 . 1 . . . . A 110 MET HE1 . 25986 1 1030 . 1 . 1 110 110 MET HE2 H 1 1.967 0.020 . 1 . . . . A 110 MET HE2 . 25986 1 1031 . 1 . 1 110 110 MET HE3 H 1 1.967 0.020 . 1 . . . . A 110 MET HE3 . 25986 1 1032 . 1 . 1 110 110 MET CA C 13 53.621 0.400 . 1 . . . . A 110 MET CA . 25986 1 1033 . 1 . 1 110 110 MET CB C 13 32.531 0.400 . 1 . . . . A 110 MET CB . 25986 1 1034 . 1 . 1 110 110 MET CG C 13 32.196 0.400 . 1 . . . . A 110 MET CG . 25986 1 1035 . 1 . 1 110 110 MET CE C 13 17.168 0.400 . 1 . . . . A 110 MET CE . 25986 1 1036 . 1 . 1 110 110 MET N N 15 122.745 0.400 . 1 . . . . A 110 MET N . 25986 1 1037 . 1 . 1 111 111 LEU H H 1 9.337 0.020 . 1 . . . . A 111 LEU H . 25986 1 1038 . 1 . 1 111 111 LEU HA H 1 4.711 0.020 . 1 . . . . A 111 LEU HA . 25986 1 1039 . 1 . 1 111 111 LEU HG H 1 1.527 0.020 . 1 . . . . A 111 LEU HG . 25986 1 1040 . 1 . 1 111 111 LEU HD11 H 1 0.076 0.020 . 2 . . . . A 111 LEU HD11 . 25986 1 1041 . 1 . 1 111 111 LEU HD12 H 1 0.076 0.020 . 2 . . . . A 111 LEU HD12 . 25986 1 1042 . 1 . 1 111 111 LEU HD13 H 1 0.076 0.020 . 2 . . . . A 111 LEU HD13 . 25986 1 1043 . 1 . 1 111 111 LEU HD21 H 1 0.545 0.020 . 2 . . . . A 111 LEU HD21 . 25986 1 1044 . 1 . 1 111 111 LEU HD22 H 1 0.545 0.020 . 2 . . . . A 111 LEU HD22 . 25986 1 1045 . 1 . 1 111 111 LEU HD23 H 1 0.545 0.020 . 2 . . . . A 111 LEU HD23 . 25986 1 1046 . 1 . 1 111 111 LEU CA C 13 54.522 0.400 . 1 . . . . A 111 LEU CA . 25986 1 1047 . 1 . 1 111 111 LEU CG C 13 26.152 0.400 . 1 . . . . A 111 LEU CG . 25986 1 1048 . 1 . 1 111 111 LEU CD1 C 13 25.023 0.400 . 1 . . . . A 111 LEU CD1 . 25986 1 1049 . 1 . 1 111 111 LEU CD2 C 13 22.563 0.400 . 1 . . . . A 111 LEU CD2 . 25986 1 1050 . 1 . 1 111 111 LEU N N 15 122.627 0.400 . 1 . . . . A 111 LEU N . 25986 1 1051 . 1 . 1 112 112 SER H H 1 8.286 0.020 . 1 . . . . A 112 SER H . 25986 1 1052 . 1 . 1 112 112 SER HA H 1 4.380 0.020 . 1 . . . . A 112 SER HA . 25986 1 1053 . 1 . 1 112 112 SER HB2 H 1 3.896 0.020 . 1 . . . . A 112 SER HB2 . 25986 1 1054 . 1 . 1 112 112 SER HB3 H 1 3.896 0.020 . 1 . . . . A 112 SER HB3 . 25986 1 1055 . 1 . 1 112 112 SER CB C 13 63.333 0.400 . 1 . . . . A 112 SER CB . 25986 1 1056 . 1 . 1 112 112 SER N N 15 114.940 0.400 . 1 . . . . A 112 SER N . 25986 1 1057 . 1 . 1 113 113 PRO HD2 H 1 3.430 0.020 . 2 . . . . A 113 PRO HD2 . 25986 1 1058 . 1 . 1 113 113 PRO HD3 H 1 3.337 0.020 . 2 . . . . A 113 PRO HD3 . 25986 1 1059 . 1 . 1 113 113 PRO CD C 13 49.258 0.400 . 1 . . . . A 113 PRO CD . 25986 1 1060 . 1 . 1 114 114 TYR H H 1 7.580 0.020 . 1 . . . . A 114 TYR H . 25986 1 1061 . 1 . 1 114 114 TYR HA H 1 4.774 0.020 . 1 . . . . A 114 TYR HA . 25986 1 1062 . 1 . 1 114 114 TYR HB2 H 1 3.289 0.020 . 2 . . . . A 114 TYR HB2 . 25986 1 1063 . 1 . 1 114 114 TYR HB3 H 1 2.631 0.020 . 2 . . . . A 114 TYR HB3 . 25986 1 1064 . 1 . 1 114 114 TYR HD1 H 1 6.948 0.020 . 1 . . . . A 114 TYR HD1 . 25986 1 1065 . 1 . 1 114 114 TYR HD2 H 1 6.948 0.020 . 1 . . . . A 114 TYR HD2 . 25986 1 1066 . 1 . 1 114 114 TYR HE1 H 1 6.729 0.020 . 1 . . . . A 114 TYR HE1 . 25986 1 1067 . 1 . 1 114 114 TYR HE2 H 1 6.729 0.020 . 1 . . . . A 114 TYR HE2 . 25986 1 1068 . 1 . 1 114 114 TYR CA C 13 55.969 0.400 . 1 . . . . A 114 TYR CA . 25986 1 1069 . 1 . 1 114 114 TYR CB C 13 38.798 0.400 . 1 . . . . A 114 TYR CB . 25986 1 1070 . 1 . 1 114 114 TYR N N 15 116.749 0.400 . 1 . . . . A 114 TYR N . 25986 1 1071 . 1 . 1 120 120 ALA H H 1 8.611 0.020 . 1 . . . . A 120 ALA H . 25986 1 1072 . 1 . 1 120 120 ALA HA H 1 4.722 0.020 . 1 . . . . A 120 ALA HA . 25986 1 1073 . 1 . 1 120 120 ALA HB1 H 1 1.198 0.020 . 1 . . . . A 120 ALA HB1 . 25986 1 1074 . 1 . 1 120 120 ALA HB2 H 1 1.198 0.020 . 1 . . . . A 120 ALA HB2 . 25986 1 1075 . 1 . 1 120 120 ALA HB3 H 1 1.198 0.020 . 1 . . . . A 120 ALA HB3 . 25986 1 1076 . 1 . 1 120 120 ALA CA C 13 51.197 0.400 . 1 . . . . A 120 ALA CA . 25986 1 1077 . 1 . 1 120 120 ALA N N 15 125.385 0.400 . 1 . . . . A 120 ALA N . 25986 1 1078 . 1 . 1 121 121 VAL H H 1 8.553 0.020 . 1 . . . . A 121 VAL H . 25986 1 1079 . 1 . 1 121 121 VAL N N 15 120.724 0.400 . 1 . . . . A 121 VAL N . 25986 1 1080 . 1 . 1 125 125 PRO HA H 1 4.369 0.020 . 1 . . . . A 125 PRO HA . 25986 1 1081 . 1 . 1 125 125 PRO HB2 H 1 2.229 0.020 . 2 . . . . A 125 PRO HB2 . 25986 1 1082 . 1 . 1 125 125 PRO HB3 H 1 1.926 0.020 . 2 . . . . A 125 PRO HB3 . 25986 1 1083 . 1 . 1 125 125 PRO HG2 H 1 1.978 0.020 . 1 . . . . A 125 PRO HG2 . 25986 1 1084 . 1 . 1 125 125 PRO HG3 H 1 1.978 0.020 . 1 . . . . A 125 PRO HG3 . 25986 1 1085 . 1 . 1 125 125 PRO HD2 H 1 3.744 0.020 . 2 . . . . A 125 PRO HD2 . 25986 1 1086 . 1 . 1 125 125 PRO HD3 H 1 3.692 0.020 . 2 . . . . A 125 PRO HD3 . 25986 1 1087 . 1 . 1 125 125 PRO CA C 13 63.099 0.400 . 1 . . . . A 125 PRO CA . 25986 1 1088 . 1 . 1 125 125 PRO CB C 13 32.105 0.400 . 1 . . . . A 125 PRO CB . 25986 1 1089 . 1 . 1 125 125 PRO CG C 13 27.304 0.400 . 1 . . . . A 125 PRO CG . 25986 1 1090 . 1 . 1 125 125 PRO CD C 13 50.670 0.400 . 1 . . . . A 125 PRO CD . 25986 1 1091 . 1 . 1 126 126 LYS H H 1 8.355 0.020 . 1 . . . . A 126 LYS H . 25986 1 1092 . 1 . 1 126 126 LYS HA H 1 4.155 0.020 . 1 . . . . A 126 LYS HA . 25986 1 1093 . 1 . 1 126 126 LYS HB2 H 1 1.807 0.020 . 2 . . . . A 126 LYS HB2 . 25986 1 1094 . 1 . 1 126 126 LYS HB3 H 1 1.677 0.020 . 2 . . . . A 126 LYS HB3 . 25986 1 1095 . 1 . 1 126 126 LYS HG2 H 1 1.389 0.020 . 1 . . . . A 126 LYS HG2 . 25986 1 1096 . 1 . 1 126 126 LYS HG3 H 1 1.389 0.020 . 1 . . . . A 126 LYS HG3 . 25986 1 1097 . 1 . 1 126 126 LYS HD2 H 1 1.646 0.020 . 1 . . . . A 126 LYS HD2 . 25986 1 1098 . 1 . 1 126 126 LYS HD3 H 1 1.646 0.020 . 1 . . . . A 126 LYS HD3 . 25986 1 1099 . 1 . 1 126 126 LYS HE2 H 1 2.958 0.020 . 1 . . . . A 126 LYS HE2 . 25986 1 1100 . 1 . 1 126 126 LYS HE3 H 1 2.958 0.020 . 1 . . . . A 126 LYS HE3 . 25986 1 1101 . 1 . 1 126 126 LYS CA C 13 56.637 0.400 . 1 . . . . A 126 LYS CA . 25986 1 1102 . 1 . 1 126 126 LYS CB C 13 32.800 0.400 . 1 . . . . A 126 LYS CB . 25986 1 1103 . 1 . 1 126 126 LYS CG C 13 24.758 0.400 . 1 . . . . A 126 LYS CG . 25986 1 1104 . 1 . 1 126 126 LYS CD C 13 28.993 0.400 . 1 . . . . A 126 LYS CD . 25986 1 1105 . 1 . 1 126 126 LYS CE C 13 41.915 0.400 . 1 . . . . A 126 LYS CE . 25986 1 1106 . 1 . 1 126 126 LYS N N 15 121.383 0.400 . 1 . . . . A 126 LYS N . 25986 1 1107 . 1 . 1 127 127 GLU H H 1 7.926 0.020 . 1 . . . . A 127 GLU H . 25986 1 1108 . 1 . 1 127 127 GLU HA H 1 4.069 0.020 . 1 . . . . A 127 GLU HA . 25986 1 1109 . 1 . 1 127 127 GLU HB2 H 1 1.996 0.020 . 2 . . . . A 127 GLU HB2 . 25986 1 1110 . 1 . 1 127 127 GLU HB3 H 1 1.838 0.020 . 2 . . . . A 127 GLU HB3 . 25986 1 1111 . 1 . 1 127 127 GLU HG2 H 1 2.138 0.020 . 1 . . . . A 127 GLU HG2 . 25986 1 1112 . 1 . 1 127 127 GLU HG3 H 1 2.138 0.020 . 1 . . . . A 127 GLU HG3 . 25986 1 1113 . 1 . 1 127 127 GLU CA C 13 57.765 0.400 . 1 . . . . A 127 GLU CA . 25986 1 1114 . 1 . 1 127 127 GLU CB C 13 31.031 0.400 . 1 . . . . A 127 GLU CB . 25986 1 1115 . 1 . 1 127 127 GLU CG C 13 36.498 0.400 . 1 . . . . A 127 GLU CG . 25986 1 1116 . 1 . 1 127 127 GLU N N 15 126.868 0.400 . 1 . . . . A 127 GLU N . 25986 1 stop_ save_