data_25987 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25987 _Entry.Title ; Solution structure of the T119M variant of transthyretin in its 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 . . . . 25987 2 Javier Oroz . . . . 25987 3 Markus Zweckstetter . . . . 25987 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' . 25987 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 25987 aggregation . 25987 amyloid . 25987 monomer . 25987 transthyretin . 25987 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25987 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 25987 '15N chemical shifts' 114 25987 '1H chemical shifts' 798 25987 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' 25987 1 . . 2017-05-08 2016-03-09 original author 'original release' 25987 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25986 'Solution structure of the F87M/L110M variant of transthyretin in the monomeric state' 25987 PDB 2NBP 'BMRB Entry Tracking System' 25987 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25987 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 27885756 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of Monomeric Transthyretin Carrying the Clinically Important T119M Mutation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 55 _Citation.Journal_issue 52 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1521-3773 _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 16168 _Citation.Page_last 16171 _Citation.Year 2016 _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 'Jin Hae' Kim . . . . 25987 1 2 Javier Oroz . . . . 25987 1 3 Markus Zweckstetter . . . . 25987 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25987 _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 entity 1 $T119M_M-TTR A . yes native no no . . . 25987 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T119M_M-TTR _Entity.Sf_category entity _Entity.Sf_framecode T119M_M-TTR _Entity.Entry_ID 25987 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T119M_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 GPRRYTIAAMLSPYSYSTMA 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 'Triple mutations (F87M/L110M/T119M) are introduced into the human transthyretin.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13809.627 _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 . 25987 1 2 2 PRO . 25987 1 3 3 THR . 25987 1 4 4 GLY . 25987 1 5 5 THR . 25987 1 6 6 GLY . 25987 1 7 7 GLU . 25987 1 8 8 SER . 25987 1 9 9 LYS . 25987 1 10 10 CYS . 25987 1 11 11 PRO . 25987 1 12 12 LEU . 25987 1 13 13 MET . 25987 1 14 14 VAL . 25987 1 15 15 LYS . 25987 1 16 16 VAL . 25987 1 17 17 LEU . 25987 1 18 18 ASP . 25987 1 19 19 ALA . 25987 1 20 20 VAL . 25987 1 21 21 ARG . 25987 1 22 22 GLY . 25987 1 23 23 SER . 25987 1 24 24 PRO . 25987 1 25 25 ALA . 25987 1 26 26 ILE . 25987 1 27 27 ASN . 25987 1 28 28 VAL . 25987 1 29 29 ALA . 25987 1 30 30 VAL . 25987 1 31 31 HIS . 25987 1 32 32 VAL . 25987 1 33 33 PHE . 25987 1 34 34 ARG . 25987 1 35 35 LYS . 25987 1 36 36 ALA . 25987 1 37 37 ALA . 25987 1 38 38 ASP . 25987 1 39 39 ASP . 25987 1 40 40 THR . 25987 1 41 41 TRP . 25987 1 42 42 GLU . 25987 1 43 43 PRO . 25987 1 44 44 PHE . 25987 1 45 45 ALA . 25987 1 46 46 SER . 25987 1 47 47 GLY . 25987 1 48 48 LYS . 25987 1 49 49 THR . 25987 1 50 50 SER . 25987 1 51 51 GLU . 25987 1 52 52 SER . 25987 1 53 53 GLY . 25987 1 54 54 GLU . 25987 1 55 55 LEU . 25987 1 56 56 HIS . 25987 1 57 57 GLY . 25987 1 58 58 LEU . 25987 1 59 59 THR . 25987 1 60 60 THR . 25987 1 61 61 GLU . 25987 1 62 62 GLU . 25987 1 63 63 GLU . 25987 1 64 64 PHE . 25987 1 65 65 VAL . 25987 1 66 66 GLU . 25987 1 67 67 GLY . 25987 1 68 68 ILE . 25987 1 69 69 TYR . 25987 1 70 70 LYS . 25987 1 71 71 VAL . 25987 1 72 72 GLU . 25987 1 73 73 ILE . 25987 1 74 74 ASP . 25987 1 75 75 THR . 25987 1 76 76 LYS . 25987 1 77 77 SER . 25987 1 78 78 TYR . 25987 1 79 79 TRP . 25987 1 80 80 LYS . 25987 1 81 81 ALA . 25987 1 82 82 LEU . 25987 1 83 83 GLY . 25987 1 84 84 ILE . 25987 1 85 85 SER . 25987 1 86 86 PRO . 25987 1 87 87 MET . 25987 1 88 88 HIS . 25987 1 89 89 GLU . 25987 1 90 90 HIS . 25987 1 91 91 ALA . 25987 1 92 92 GLU . 25987 1 93 93 VAL . 25987 1 94 94 VAL . 25987 1 95 95 PHE . 25987 1 96 96 THR . 25987 1 97 97 ALA . 25987 1 98 98 ASN . 25987 1 99 99 ASP . 25987 1 100 100 SER . 25987 1 101 101 GLY . 25987 1 102 102 PRO . 25987 1 103 103 ARG . 25987 1 104 104 ARG . 25987 1 105 105 TYR . 25987 1 106 106 THR . 25987 1 107 107 ILE . 25987 1 108 108 ALA . 25987 1 109 109 ALA . 25987 1 110 110 MET . 25987 1 111 111 LEU . 25987 1 112 112 SER . 25987 1 113 113 PRO . 25987 1 114 114 TYR . 25987 1 115 115 SER . 25987 1 116 116 TYR . 25987 1 117 117 SER . 25987 1 118 118 THR . 25987 1 119 119 MET . 25987 1 120 120 ALA . 25987 1 121 121 VAL . 25987 1 122 122 VAL . 25987 1 123 123 THR . 25987 1 124 124 ASN . 25987 1 125 125 PRO . 25987 1 126 126 LYS . 25987 1 127 127 GLU . 25987 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 25987 1 . PRO 2 2 25987 1 . THR 3 3 25987 1 . GLY 4 4 25987 1 . THR 5 5 25987 1 . GLY 6 6 25987 1 . GLU 7 7 25987 1 . SER 8 8 25987 1 . LYS 9 9 25987 1 . CYS 10 10 25987 1 . PRO 11 11 25987 1 . LEU 12 12 25987 1 . MET 13 13 25987 1 . VAL 14 14 25987 1 . LYS 15 15 25987 1 . VAL 16 16 25987 1 . LEU 17 17 25987 1 . ASP 18 18 25987 1 . ALA 19 19 25987 1 . VAL 20 20 25987 1 . ARG 21 21 25987 1 . GLY 22 22 25987 1 . SER 23 23 25987 1 . PRO 24 24 25987 1 . ALA 25 25 25987 1 . ILE 26 26 25987 1 . ASN 27 27 25987 1 . VAL 28 28 25987 1 . ALA 29 29 25987 1 . VAL 30 30 25987 1 . HIS 31 31 25987 1 . VAL 32 32 25987 1 . PHE 33 33 25987 1 . ARG 34 34 25987 1 . LYS 35 35 25987 1 . ALA 36 36 25987 1 . ALA 37 37 25987 1 . ASP 38 38 25987 1 . ASP 39 39 25987 1 . THR 40 40 25987 1 . TRP 41 41 25987 1 . GLU 42 42 25987 1 . PRO 43 43 25987 1 . PHE 44 44 25987 1 . ALA 45 45 25987 1 . SER 46 46 25987 1 . GLY 47 47 25987 1 . LYS 48 48 25987 1 . THR 49 49 25987 1 . SER 50 50 25987 1 . GLU 51 51 25987 1 . SER 52 52 25987 1 . GLY 53 53 25987 1 . GLU 54 54 25987 1 . LEU 55 55 25987 1 . HIS 56 56 25987 1 . GLY 57 57 25987 1 . LEU 58 58 25987 1 . THR 59 59 25987 1 . THR 60 60 25987 1 . GLU 61 61 25987 1 . GLU 62 62 25987 1 . GLU 63 63 25987 1 . PHE 64 64 25987 1 . VAL 65 65 25987 1 . GLU 66 66 25987 1 . GLY 67 67 25987 1 . ILE 68 68 25987 1 . TYR 69 69 25987 1 . LYS 70 70 25987 1 . VAL 71 71 25987 1 . GLU 72 72 25987 1 . ILE 73 73 25987 1 . ASP 74 74 25987 1 . THR 75 75 25987 1 . LYS 76 76 25987 1 . SER 77 77 25987 1 . TYR 78 78 25987 1 . TRP 79 79 25987 1 . LYS 80 80 25987 1 . ALA 81 81 25987 1 . LEU 82 82 25987 1 . GLY 83 83 25987 1 . ILE 84 84 25987 1 . SER 85 85 25987 1 . PRO 86 86 25987 1 . MET 87 87 25987 1 . HIS 88 88 25987 1 . GLU 89 89 25987 1 . HIS 90 90 25987 1 . ALA 91 91 25987 1 . GLU 92 92 25987 1 . VAL 93 93 25987 1 . VAL 94 94 25987 1 . PHE 95 95 25987 1 . THR 96 96 25987 1 . ALA 97 97 25987 1 . ASN 98 98 25987 1 . ASP 99 99 25987 1 . SER 100 100 25987 1 . GLY 101 101 25987 1 . PRO 102 102 25987 1 . ARG 103 103 25987 1 . ARG 104 104 25987 1 . TYR 105 105 25987 1 . THR 106 106 25987 1 . ILE 107 107 25987 1 . ALA 108 108 25987 1 . ALA 109 109 25987 1 . MET 110 110 25987 1 . LEU 111 111 25987 1 . SER 112 112 25987 1 . PRO 113 113 25987 1 . TYR 114 114 25987 1 . SER 115 115 25987 1 . TYR 116 116 25987 1 . SER 117 117 25987 1 . THR 118 118 25987 1 . MET 119 119 25987 1 . ALA 120 120 25987 1 . VAL 121 121 25987 1 . VAL 122 122 25987 1 . THR 123 123 25987 1 . ASN 124 124 25987 1 . PRO 125 125 25987 1 . LYS 126 126 25987 1 . GLU 127 127 25987 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 25987 _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 $T119M_M-TTR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'Triple mutations (F87M/L110M/T119M) are introduced into the wild-type.' 25987 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 25987 _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 $T119M_M-TTR . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli M15 pREP4 . . . . pQE . . . 25987 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25987 _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 'T119M M-TTR' '[U-13C; U-15N]' . . 1 $T119M_M-TTR . protein . 0.6 1.2 mM . . . . 25987 1 2 MES 'natural abundance' . . . . . buffer 50 . . mM . . . . 25987 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 25987 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25987 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25987 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25987 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25987 1 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 25987 _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 25987 1 pH 6.5 . pH 25987 1 pressure 1 . atm 25987 1 temperature 298 . K 25987 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25987 _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' . . 25987 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 25987 1 . processing 25987 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25987 _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' . . 25987 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 25987 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25987 _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 . . 25987 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25987 3 . 'data analysis' 25987 3 . 'peak picking' 25987 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25987 _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' . . 25987 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 25987 4 . 'structure solution' 25987 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25987 _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' . . 25987 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 25987 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_av _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_av _NMR_spectrometer.Entry_ID 25987 _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 600 save_ save_700_ox _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700_ox _NMR_spectrometer.Entry_ID 25987 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Oxford _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_900_cryo _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900_cryo _NMR_spectrometer.Entry_ID 25987 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25987 _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 1 600_av Bruker Avance . 600 'Room-temperature probe' . . 25987 1 2 700_ox Oxford Avance . 700 'Equipped with a prodigy cold probe (from Bruker)' . . 25987 1 3 900_cryo Bruker Avance . 900 'Equipped with a cryogenic probe' . . 25987 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 25987 _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 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $900_cryo . . . . . . . . . . . . . . . . 25987 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_av . . . . . . . . . . . . . . . . 25987 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $900_cryo . . . . . . . . . . . . . . . . 25987 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700_ox . . . . . . . . . . . . . . . . 25987 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 25987 _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 . . . . . 25987 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25987 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25987 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 25987 _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 25987 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 25987 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 25987 1 4 '3D HNCA' 1 $sample_1 isotropic 25987 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 25987 1 6 '3D HNCACB' 1 $sample_1 isotropic 25987 1 7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25987 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 25987 1 9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25987 1 10 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 25987 1 11 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 25987 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 . . 25987 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 4.178 0.020 . 2 . . . . A 1 GLY HA2 . 25987 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.141 0.020 . 2 . . . . A 1 GLY HA3 . 25987 1 3 . 1 . 1 1 1 GLY CA C 13 44.637 0.400 . 1 . . . . A 1 GLY CA . 25987 1 4 . 1 . 1 2 2 PRO HA H 1 4.505 0.020 . 1 . . . . A 2 PRO HA . 25987 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.297 0.020 . 2 . . . . A 2 PRO HB2 . 25987 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.968 0.020 . 2 . . . . A 2 PRO HB3 . 25987 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.021 0.020 . 2 . . . . A 2 PRO HG2 . 25987 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.970 0.020 . 2 . . . . A 2 PRO HG3 . 25987 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.641 0.020 . 1 . . . . A 2 PRO HD2 . 25987 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.641 0.020 . 1 . . . . A 2 PRO HD3 . 25987 1 11 . 1 . 1 2 2 PRO CA C 13 63.384 0.400 . 1 . . . . A 2 PRO CA . 25987 1 12 . 1 . 1 2 2 PRO CB C 13 32.177 0.400 . 1 . . . . A 2 PRO CB . 25987 1 13 . 1 . 1 2 2 PRO CG C 13 27.327 0.400 . 1 . . . . A 2 PRO CG . 25987 1 14 . 1 . 1 2 2 PRO CD C 13 49.887 0.400 . 1 . . . . A 2 PRO CD . 25987 1 15 . 1 . 1 3 3 THR H H 1 8.322 0.020 . 1 . . . . A 3 THR H . 25987 1 16 . 1 . 1 3 3 THR HA H 1 4.366 0.020 . 1 . . . . A 3 THR HA . 25987 1 17 . 1 . 1 3 3 THR HB H 1 4.262 0.020 . 1 . . . . A 3 THR HB . 25987 1 18 . 1 . 1 3 3 THR HG21 H 1 1.221 0.020 . 1 . . . . A 3 THR HG21 . 25987 1 19 . 1 . 1 3 3 THR HG22 H 1 1.221 0.020 . 1 . . . . A 3 THR HG22 . 25987 1 20 . 1 . 1 3 3 THR HG23 H 1 1.221 0.020 . 1 . . . . A 3 THR HG23 . 25987 1 21 . 1 . 1 3 3 THR CA C 13 62.018 0.400 . 1 . . . . A 3 THR CA . 25987 1 22 . 1 . 1 3 3 THR CB C 13 69.875 0.400 . 1 . . . . A 3 THR CB . 25987 1 23 . 1 . 1 3 3 THR CG2 C 13 21.633 0.400 . 1 . . . . A 3 THR CG2 . 25987 1 24 . 1 . 1 3 3 THR N N 15 113.714 0.400 . 1 . . . . A 3 THR N . 25987 1 25 . 1 . 1 4 4 GLY H H 1 8.424 0.020 . 1 . . . . A 4 GLY H . 25987 1 26 . 1 . 1 4 4 GLY HA2 H 1 4.042 0.020 . 1 . . . . A 4 GLY HA2 . 25987 1 27 . 1 . 1 4 4 GLY HA3 H 1 4.042 0.020 . 1 . . . . A 4 GLY HA3 . 25987 1 28 . 1 . 1 4 4 GLY CA C 13 45.517 0.400 . 1 . . . . A 4 GLY CA . 25987 1 29 . 1 . 1 4 4 GLY N N 15 111.126 0.400 . 1 . . . . A 4 GLY N . 25987 1 30 . 1 . 1 5 5 THR H H 1 8.181 0.020 . 1 . . . . A 5 THR H . 25987 1 31 . 1 . 1 5 5 THR HA H 1 4.362 0.020 . 1 . . . . A 5 THR HA . 25987 1 32 . 1 . 1 5 5 THR HB H 1 4.281 0.020 . 1 . . . . A 5 THR HB . 25987 1 33 . 1 . 1 5 5 THR HG21 H 1 1.187 0.020 . 1 . . . . A 5 THR HG21 . 25987 1 34 . 1 . 1 5 5 THR HG22 H 1 1.187 0.020 . 1 . . . . A 5 THR HG22 . 25987 1 35 . 1 . 1 5 5 THR HG23 H 1 1.187 0.020 . 1 . . . . A 5 THR HG23 . 25987 1 36 . 1 . 1 5 5 THR CA C 13 61.981 0.400 . 1 . . . . A 5 THR CA . 25987 1 37 . 1 . 1 5 5 THR CB C 13 69.846 0.400 . 1 . . . . A 5 THR CB . 25987 1 38 . 1 . 1 5 5 THR CG2 C 13 21.575 0.400 . 1 . . . . A 5 THR CG2 . 25987 1 39 . 1 . 1 5 5 THR N N 15 112.922 0.400 . 1 . . . . A 5 THR N . 25987 1 40 . 1 . 1 6 6 GLY H H 1 8.507 0.020 . 1 . . . . A 6 GLY H . 25987 1 41 . 1 . 1 6 6 GLY HA2 H 1 3.968 0.020 . 2 . . . . A 6 GLY HA2 . 25987 1 42 . 1 . 1 6 6 GLY HA3 H 1 3.951 0.020 . 2 . . . . A 6 GLY HA3 . 25987 1 43 . 1 . 1 6 6 GLY CA C 13 45.517 0.400 . 1 . . . . A 6 GLY CA . 25987 1 44 . 1 . 1 6 6 GLY N N 15 111.160 0.400 . 1 . . . . A 6 GLY N . 25987 1 45 . 1 . 1 7 7 GLU H H 1 8.292 0.020 . 1 . . . . A 7 GLU H . 25987 1 46 . 1 . 1 7 7 GLU HA H 1 4.296 0.020 . 1 . . . . A 7 GLU HA . 25987 1 47 . 1 . 1 7 7 GLU HB2 H 1 2.019 0.020 . 2 . . . . A 7 GLU HB2 . 25987 1 48 . 1 . 1 7 7 GLU HB3 H 1 1.900 0.020 . 2 . . . . A 7 GLU HB3 . 25987 1 49 . 1 . 1 7 7 GLU HG2 H 1 2.205 0.020 . 1 . . . . A 7 GLU HG2 . 25987 1 50 . 1 . 1 7 7 GLU HG3 H 1 2.205 0.020 . 1 . . . . A 7 GLU HG3 . 25987 1 51 . 1 . 1 7 7 GLU CA C 13 56.651 0.400 . 1 . . . . A 7 GLU CA . 25987 1 52 . 1 . 1 7 7 GLU CB C 13 30.456 0.400 . 1 . . . . A 7 GLU CB . 25987 1 53 . 1 . 1 7 7 GLU CG C 13 36.326 0.400 . 1 . . . . A 7 GLU CG . 25987 1 54 . 1 . 1 7 7 GLU N N 15 120.717 0.400 . 1 . . . . A 7 GLU N . 25987 1 55 . 1 . 1 8 8 SER H H 1 8.405 0.020 . 1 . . . . A 8 SER H . 25987 1 56 . 1 . 1 8 8 SER HA H 1 4.424 0.020 . 1 . . . . A 8 SER HA . 25987 1 57 . 1 . 1 8 8 SER HB2 H 1 3.878 0.020 . 1 . . . . A 8 SER HB2 . 25987 1 58 . 1 . 1 8 8 SER HB3 H 1 3.878 0.020 . 1 . . . . A 8 SER HB3 . 25987 1 59 . 1 . 1 8 8 SER CA C 13 58.635 0.400 . 1 . . . . A 8 SER CA . 25987 1 60 . 1 . 1 8 8 SER CB C 13 63.700 0.400 . 1 . . . . A 8 SER CB . 25987 1 61 . 1 . 1 8 8 SER N N 15 117.148 0.400 . 1 . . . . A 8 SER N . 25987 1 62 . 1 . 1 9 9 LYS H H 1 8.494 0.020 . 1 . . . . A 9 LYS H . 25987 1 63 . 1 . 1 9 9 LYS HA H 1 4.374 0.020 . 1 . . . . A 9 LYS HA . 25987 1 64 . 1 . 1 9 9 LYS HB2 H 1 1.860 0.020 . 2 . . . . A 9 LYS HB2 . 25987 1 65 . 1 . 1 9 9 LYS HB3 H 1 1.719 0.020 . 2 . . . . A 9 LYS HB3 . 25987 1 66 . 1 . 1 9 9 LYS HG2 H 1 1.450 0.020 . 2 . . . . A 9 LYS HG2 . 25987 1 67 . 1 . 1 9 9 LYS HG3 H 1 1.384 0.020 . 2 . . . . A 9 LYS HG3 . 25987 1 68 . 1 . 1 9 9 LYS HD2 H 1 1.661 0.020 . 1 . . . . A 9 LYS HD2 . 25987 1 69 . 1 . 1 9 9 LYS HD3 H 1 1.661 0.020 . 1 . . . . A 9 LYS HD3 . 25987 1 70 . 1 . 1 9 9 LYS HE2 H 1 2.980 0.020 . 1 . . . . A 9 LYS HE2 . 25987 1 71 . 1 . 1 9 9 LYS HE3 H 1 2.980 0.020 . 1 . . . . A 9 LYS HE3 . 25987 1 72 . 1 . 1 9 9 LYS CA C 13 55.741 0.400 . 1 . . . . A 9 LYS CA . 25987 1 73 . 1 . 1 9 9 LYS CB C 13 32.914 0.400 . 1 . . . . A 9 LYS CB . 25987 1 74 . 1 . 1 9 9 LYS CG C 13 24.932 0.400 . 1 . . . . A 9 LYS CG . 25987 1 75 . 1 . 1 9 9 LYS CD C 13 29.058 0.400 . 1 . . . . A 9 LYS CD . 25987 1 76 . 1 . 1 9 9 LYS CE C 13 42.193 0.400 . 1 . . . . A 9 LYS CE . 25987 1 77 . 1 . 1 9 9 LYS N N 15 123.180 0.400 . 1 . . . . A 9 LYS N . 25987 1 78 . 1 . 1 10 10 CYS H H 1 8.357 0.020 . 1 . . . . A 10 CYS H . 25987 1 79 . 1 . 1 10 10 CYS HA H 1 4.822 0.020 . 1 . . . . A 10 CYS HA . 25987 1 80 . 1 . 1 10 10 CYS HB2 H 1 3.074 0.020 . 1 . . . . A 10 CYS HB2 . 25987 1 81 . 1 . 1 10 10 CYS HB3 H 1 3.074 0.020 . 1 . . . . A 10 CYS HB3 . 25987 1 82 . 1 . 1 10 10 CYS CA C 13 55.863 0.400 . 1 . . . . A 10 CYS CA . 25987 1 83 . 1 . 1 10 10 CYS CB C 13 27.755 0.400 . 1 . . . . A 10 CYS CB . 25987 1 84 . 1 . 1 10 10 CYS N N 15 122.188 0.400 . 1 . . . . A 10 CYS N . 25987 1 85 . 1 . 1 11 11 PRO HA H 1 4.597 0.020 . 1 . . . . A 11 PRO HA . 25987 1 86 . 1 . 1 11 11 PRO HB2 H 1 2.453 0.020 . 2 . . . . A 11 PRO HB2 . 25987 1 87 . 1 . 1 11 11 PRO HB3 H 1 2.051 0.020 . 2 . . . . A 11 PRO HB3 . 25987 1 88 . 1 . 1 11 11 PRO CA C 13 64.379 0.400 . 1 . . . . A 11 PRO CA . 25987 1 89 . 1 . 1 11 11 PRO CB C 13 32.931 0.400 . 1 . . . . A 11 PRO CB . 25987 1 90 . 1 . 1 12 12 LEU H H 1 6.993 0.020 . 1 . . . . A 12 LEU H . 25987 1 91 . 1 . 1 12 12 LEU HA H 1 5.092 0.020 . 1 . . . . A 12 LEU HA . 25987 1 92 . 1 . 1 12 12 LEU HB2 H 1 1.071 0.020 . 1 . . . . A 12 LEU HB2 . 25987 1 93 . 1 . 1 12 12 LEU HB3 H 1 1.071 0.020 . 1 . . . . A 12 LEU HB3 . 25987 1 94 . 1 . 1 12 12 LEU HG H 1 1.011 0.020 . 1 . . . . A 12 LEU HG . 25987 1 95 . 1 . 1 12 12 LEU HD11 H 1 0.468 0.020 . 2 . . . . A 12 LEU HD11 . 25987 1 96 . 1 . 1 12 12 LEU HD12 H 1 0.468 0.020 . 2 . . . . A 12 LEU HD12 . 25987 1 97 . 1 . 1 12 12 LEU HD13 H 1 0.468 0.020 . 2 . . . . A 12 LEU HD13 . 25987 1 98 . 1 . 1 12 12 LEU HD21 H 1 0.610 0.020 . 2 . . . . A 12 LEU HD21 . 25987 1 99 . 1 . 1 12 12 LEU HD22 H 1 0.610 0.020 . 2 . . . . A 12 LEU HD22 . 25987 1 100 . 1 . 1 12 12 LEU HD23 H 1 0.610 0.020 . 2 . . . . A 12 LEU HD23 . 25987 1 101 . 1 . 1 12 12 LEU CA C 13 53.695 0.400 . 1 . . . . A 12 LEU CA . 25987 1 102 . 1 . 1 12 12 LEU CB C 13 45.091 0.400 . 1 . . . . A 12 LEU CB . 25987 1 103 . 1 . 1 12 12 LEU CG C 13 27.382 0.400 . 1 . . . . A 12 LEU CG . 25987 1 104 . 1 . 1 12 12 LEU CD1 C 13 25.397 0.400 . 1 . . . . A 12 LEU CD1 . 25987 1 105 . 1 . 1 12 12 LEU CD2 C 13 23.900 0.400 . 1 . . . . A 12 LEU CD2 . 25987 1 106 . 1 . 1 12 12 LEU N N 15 119.799 0.400 . 1 . . . . A 12 LEU N . 25987 1 107 . 1 . 1 13 13 MET H H 1 8.558 0.020 . 1 . . . . A 13 MET H . 25987 1 108 . 1 . 1 13 13 MET HA H 1 4.639 0.020 . 1 . . . . A 13 MET HA . 25987 1 109 . 1 . 1 13 13 MET HB2 H 1 1.989 0.020 . 1 . . . . A 13 MET HB2 . 25987 1 110 . 1 . 1 13 13 MET HB3 H 1 1.989 0.020 . 1 . . . . A 13 MET HB3 . 25987 1 111 . 1 . 1 13 13 MET HG2 H 1 2.236 0.020 . 2 . . . . A 13 MET HG2 . 25987 1 112 . 1 . 1 13 13 MET HG3 H 1 2.292 0.020 . 2 . . . . A 13 MET HG3 . 25987 1 113 . 1 . 1 13 13 MET HE1 H 1 1.826 0.020 . 1 . . . . A 13 MET HE1 . 25987 1 114 . 1 . 1 13 13 MET HE2 H 1 1.826 0.020 . 1 . . . . A 13 MET HE2 . 25987 1 115 . 1 . 1 13 13 MET HE3 H 1 1.826 0.020 . 1 . . . . A 13 MET HE3 . 25987 1 116 . 1 . 1 13 13 MET CA C 13 54.652 0.400 . 1 . . . . A 13 MET CA . 25987 1 117 . 1 . 1 13 13 MET CB C 13 35.230 0.400 . 1 . . . . A 13 MET CB . 25987 1 118 . 1 . 1 13 13 MET CG C 13 32.213 0.400 . 1 . . . . A 13 MET CG . 25987 1 119 . 1 . 1 13 13 MET CE C 13 17.284 0.400 . 1 . . . . A 13 MET CE . 25987 1 120 . 1 . 1 13 13 MET N N 15 126.217 0.400 . 1 . . . . A 13 MET N . 25987 1 121 . 1 . 1 14 14 VAL H H 1 7.664 0.020 . 1 . . . . A 14 VAL H . 25987 1 122 . 1 . 1 14 14 VAL HA H 1 5.006 0.020 . 1 . . . . A 14 VAL HA . 25987 1 123 . 1 . 1 14 14 VAL HB H 1 1.727 0.020 . 1 . . . . A 14 VAL HB . 25987 1 124 . 1 . 1 14 14 VAL HG11 H 1 0.656 0.020 . 2 . . . . A 14 VAL HG11 . 25987 1 125 . 1 . 1 14 14 VAL HG12 H 1 0.656 0.020 . 2 . . . . A 14 VAL HG12 . 25987 1 126 . 1 . 1 14 14 VAL HG13 H 1 0.656 0.020 . 2 . . . . A 14 VAL HG13 . 25987 1 127 . 1 . 1 14 14 VAL HG21 H 1 0.659 0.020 . 2 . . . . A 14 VAL HG21 . 25987 1 128 . 1 . 1 14 14 VAL HG22 H 1 0.659 0.020 . 2 . . . . A 14 VAL HG22 . 25987 1 129 . 1 . 1 14 14 VAL HG23 H 1 0.659 0.020 . 2 . . . . A 14 VAL HG23 . 25987 1 130 . 1 . 1 14 14 VAL CA C 13 60.422 0.400 . 1 . . . . A 14 VAL CA . 25987 1 131 . 1 . 1 14 14 VAL CB C 13 34.874 0.400 . 1 . . . . A 14 VAL CB . 25987 1 132 . 1 . 1 14 14 VAL CG1 C 13 20.703 0.400 . 1 . . . . A 14 VAL CG1 . 25987 1 133 . 1 . 1 14 14 VAL CG2 C 13 20.811 0.400 . 1 . . . . A 14 VAL CG2 . 25987 1 134 . 1 . 1 14 14 VAL N N 15 122.177 0.400 . 1 . . . . A 14 VAL N . 25987 1 135 . 1 . 1 15 15 LYS H H 1 9.071 0.020 . 1 . . . . A 15 LYS H . 25987 1 136 . 1 . 1 15 15 LYS HA H 1 5.082 0.020 . 1 . . . . A 15 LYS HA . 25987 1 137 . 1 . 1 15 15 LYS HB2 H 1 1.506 0.020 . 2 . . . . A 15 LYS HB2 . 25987 1 138 . 1 . 1 15 15 LYS HB3 H 1 1.687 0.020 . 2 . . . . A 15 LYS HB3 . 25987 1 139 . 1 . 1 15 15 LYS HG2 H 1 1.203 0.020 . 1 . . . . A 15 LYS HG2 . 25987 1 140 . 1 . 1 15 15 LYS HG3 H 1 1.203 0.020 . 1 . . . . A 15 LYS HG3 . 25987 1 141 . 1 . 1 15 15 LYS HD2 H 1 1.596 0.020 . 1 . . . . A 15 LYS HD2 . 25987 1 142 . 1 . 1 15 15 LYS HD3 H 1 1.596 0.020 . 1 . . . . A 15 LYS HD3 . 25987 1 143 . 1 . 1 15 15 LYS HE2 H 1 2.842 0.020 . 1 . . . . A 15 LYS HE2 . 25987 1 144 . 1 . 1 15 15 LYS HE3 H 1 2.842 0.020 . 1 . . . . A 15 LYS HE3 . 25987 1 145 . 1 . 1 15 15 LYS CA C 13 54.939 0.400 . 1 . . . . A 15 LYS CA . 25987 1 146 . 1 . 1 15 15 LYS CB C 13 35.853 0.400 . 1 . . . . A 15 LYS CB . 25987 1 147 . 1 . 1 15 15 LYS CG C 13 25.069 0.400 . 1 . . . . A 15 LYS CG . 25987 1 148 . 1 . 1 15 15 LYS CD C 13 29.667 0.400 . 1 . . . . A 15 LYS CD . 25987 1 149 . 1 . 1 15 15 LYS CE C 13 42.157 0.400 . 1 . . . . A 15 LYS CE . 25987 1 150 . 1 . 1 15 15 LYS N N 15 127.788 0.400 . 1 . . . . A 15 LYS N . 25987 1 151 . 1 . 1 16 16 VAL H H 1 9.249 0.020 . 1 . . . . A 16 VAL H . 25987 1 152 . 1 . 1 16 16 VAL HA H 1 4.839 0.020 . 1 . . . . A 16 VAL HA . 25987 1 153 . 1 . 1 16 16 VAL HB H 1 2.003 0.020 . 1 . . . . A 16 VAL HB . 25987 1 154 . 1 . 1 16 16 VAL HG11 H 1 0.662 0.020 . 2 . . . . A 16 VAL HG11 . 25987 1 155 . 1 . 1 16 16 VAL HG12 H 1 0.662 0.020 . 2 . . . . A 16 VAL HG12 . 25987 1 156 . 1 . 1 16 16 VAL HG13 H 1 0.662 0.020 . 2 . . . . A 16 VAL HG13 . 25987 1 157 . 1 . 1 16 16 VAL HG21 H 1 0.611 0.020 . 2 . . . . A 16 VAL HG21 . 25987 1 158 . 1 . 1 16 16 VAL HG22 H 1 0.611 0.020 . 2 . . . . A 16 VAL HG22 . 25987 1 159 . 1 . 1 16 16 VAL HG23 H 1 0.611 0.020 . 2 . . . . A 16 VAL HG23 . 25987 1 160 . 1 . 1 16 16 VAL CA C 13 61.161 0.400 . 1 . . . . A 16 VAL CA . 25987 1 161 . 1 . 1 16 16 VAL CB C 13 33.000 0.400 . 1 . . . . A 16 VAL CB . 25987 1 162 . 1 . 1 16 16 VAL CG1 C 13 23.344 0.400 . 1 . . . . A 16 VAL CG1 . 25987 1 163 . 1 . 1 16 16 VAL CG2 C 13 21.634 0.400 . 1 . . . . A 16 VAL CG2 . 25987 1 164 . 1 . 1 16 16 VAL N N 15 125.178 0.400 . 1 . . . . A 16 VAL N . 25987 1 165 . 1 . 1 17 17 LEU H H 1 8.664 0.020 . 1 . . . . A 17 LEU H . 25987 1 166 . 1 . 1 17 17 LEU HA H 1 4.715 0.020 . 1 . . . . A 17 LEU HA . 25987 1 167 . 1 . 1 17 17 LEU HB2 H 1 1.700 0.020 . 2 . . . . A 17 LEU HB2 . 25987 1 168 . 1 . 1 17 17 LEU HB3 H 1 1.364 0.020 . 2 . . . . A 17 LEU HB3 . 25987 1 169 . 1 . 1 17 17 LEU HG H 1 1.491 0.020 . 1 . . . . A 17 LEU HG . 25987 1 170 . 1 . 1 17 17 LEU HD11 H 1 0.737 0.020 . 2 . . . . A 17 LEU HD11 . 25987 1 171 . 1 . 1 17 17 LEU HD12 H 1 0.737 0.020 . 2 . . . . A 17 LEU HD12 . 25987 1 172 . 1 . 1 17 17 LEU HD13 H 1 0.737 0.020 . 2 . . . . A 17 LEU HD13 . 25987 1 173 . 1 . 1 17 17 LEU HD21 H 1 0.745 0.020 . 2 . . . . A 17 LEU HD21 . 25987 1 174 . 1 . 1 17 17 LEU HD22 H 1 0.745 0.020 . 2 . . . . A 17 LEU HD22 . 25987 1 175 . 1 . 1 17 17 LEU HD23 H 1 0.745 0.020 . 2 . . . . A 17 LEU HD23 . 25987 1 176 . 1 . 1 17 17 LEU CA C 13 53.405 0.400 . 1 . . . . A 17 LEU CA . 25987 1 177 . 1 . 1 17 17 LEU CB C 13 45.610 0.400 . 1 . . . . A 17 LEU CB . 25987 1 178 . 1 . 1 17 17 LEU CG C 13 27.502 0.400 . 1 . . . . A 17 LEU CG . 25987 1 179 . 1 . 1 17 17 LEU CD1 C 13 24.119 0.400 . 1 . . . . A 17 LEU CD1 . 25987 1 180 . 1 . 1 17 17 LEU CD2 C 13 24.704 0.400 . 1 . . . . A 17 LEU CD2 . 25987 1 181 . 1 . 1 17 17 LEU N N 15 127.533 0.400 . 1 . . . . A 17 LEU N . 25987 1 182 . 1 . 1 18 18 ASP H H 1 8.819 0.020 . 1 . . . . A 18 ASP H . 25987 1 183 . 1 . 1 18 18 ASP HA H 1 4.610 0.020 . 1 . . . . A 18 ASP HA . 25987 1 184 . 1 . 1 18 18 ASP HB2 H 1 2.987 0.020 . 2 . . . . A 18 ASP HB2 . 25987 1 185 . 1 . 1 18 18 ASP HB3 H 1 2.381 0.020 . 2 . . . . A 18 ASP HB3 . 25987 1 186 . 1 . 1 18 18 ASP CA C 13 53.608 0.400 . 1 . . . . A 18 ASP CA . 25987 1 187 . 1 . 1 18 18 ASP CB C 13 41.853 0.400 . 1 . . . . A 18 ASP CB . 25987 1 188 . 1 . 1 18 18 ASP N N 15 122.304 0.400 . 1 . . . . A 18 ASP N . 25987 1 189 . 1 . 1 19 19 ALA H H 1 9.297 0.020 . 1 . . . . A 19 ALA H . 25987 1 190 . 1 . 1 19 19 ALA HA H 1 4.197 0.020 . 1 . . . . A 19 ALA HA . 25987 1 191 . 1 . 1 19 19 ALA HB1 H 1 1.442 0.020 . 1 . . . . A 19 ALA HB1 . 25987 1 192 . 1 . 1 19 19 ALA HB2 H 1 1.442 0.020 . 1 . . . . A 19 ALA HB2 . 25987 1 193 . 1 . 1 19 19 ALA HB3 H 1 1.442 0.020 . 1 . . . . A 19 ALA HB3 . 25987 1 194 . 1 . 1 19 19 ALA CA C 13 54.228 0.400 . 1 . . . . A 19 ALA CA . 25987 1 195 . 1 . 1 19 19 ALA CB C 13 19.812 0.400 . 1 . . . . A 19 ALA CB . 25987 1 196 . 1 . 1 19 19 ALA N N 15 128.045 0.400 . 1 . . . . A 19 ALA N . 25987 1 197 . 1 . 1 20 20 VAL H H 1 8.843 0.020 . 1 . . . . A 20 VAL H . 25987 1 198 . 1 . 1 20 20 VAL HA H 1 3.947 0.020 . 1 . . . . A 20 VAL HA . 25987 1 199 . 1 . 1 20 20 VAL HB H 1 2.535 0.020 . 1 . . . . A 20 VAL HB . 25987 1 200 . 1 . 1 20 20 VAL HG11 H 1 1.064 0.020 . 2 . . . . A 20 VAL HG11 . 25987 1 201 . 1 . 1 20 20 VAL HG12 H 1 1.064 0.020 . 2 . . . . A 20 VAL HG12 . 25987 1 202 . 1 . 1 20 20 VAL HG13 H 1 1.064 0.020 . 2 . . . . A 20 VAL HG13 . 25987 1 203 . 1 . 1 20 20 VAL HG21 H 1 1.132 0.020 . 2 . . . . A 20 VAL HG21 . 25987 1 204 . 1 . 1 20 20 VAL HG22 H 1 1.132 0.020 . 2 . . . . A 20 VAL HG22 . 25987 1 205 . 1 . 1 20 20 VAL HG23 H 1 1.132 0.020 . 2 . . . . A 20 VAL HG23 . 25987 1 206 . 1 . 1 20 20 VAL CA C 13 65.294 0.400 . 1 . . . . A 20 VAL CA . 25987 1 207 . 1 . 1 20 20 VAL CB C 13 32.052 0.400 . 1 . . . . A 20 VAL CB . 25987 1 208 . 1 . 1 20 20 VAL CG1 C 13 21.353 0.400 . 1 . . . . A 20 VAL CG1 . 25987 1 209 . 1 . 1 20 20 VAL CG2 C 13 22.774 0.400 . 1 . . . . A 20 VAL CG2 . 25987 1 210 . 1 . 1 20 20 VAL N N 15 118.963 0.400 . 1 . . . . A 20 VAL N . 25987 1 211 . 1 . 1 21 21 ARG H H 1 8.381 0.020 . 1 . . . . A 21 ARG H . 25987 1 212 . 1 . 1 21 21 ARG HA H 1 4.298 0.020 . 1 . . . . A 21 ARG HA . 25987 1 213 . 1 . 1 21 21 ARG HB2 H 1 1.584 0.020 . 2 . . . . A 21 ARG HB2 . 25987 1 214 . 1 . 1 21 21 ARG HB3 H 1 1.971 0.020 . 2 . . . . A 21 ARG HB3 . 25987 1 215 . 1 . 1 21 21 ARG HG2 H 1 1.696 0.020 . 2 . . . . A 21 ARG HG2 . 25987 1 216 . 1 . 1 21 21 ARG HG3 H 1 1.830 0.020 . 2 . . . . A 21 ARG HG3 . 25987 1 217 . 1 . 1 21 21 ARG HD2 H 1 3.244 0.020 . 1 . . . . A 21 ARG HD2 . 25987 1 218 . 1 . 1 21 21 ARG HD3 H 1 3.244 0.020 . 1 . . . . A 21 ARG HD3 . 25987 1 219 . 1 . 1 21 21 ARG CA C 13 56.734 0.400 . 1 . . . . A 21 ARG CA . 25987 1 220 . 1 . 1 21 21 ARG CB C 13 31.851 0.400 . 1 . . . . A 21 ARG CB . 25987 1 221 . 1 . 1 21 21 ARG CG C 13 28.266 0.400 . 1 . . . . A 21 ARG CG . 25987 1 222 . 1 . 1 21 21 ARG CD C 13 43.552 0.400 . 1 . . . . A 21 ARG CD . 25987 1 223 . 1 . 1 21 21 ARG N N 15 117.917 0.400 . 1 . . . . A 21 ARG N . 25987 1 224 . 1 . 1 22 22 GLY H H 1 8.338 0.020 . 1 . . . . A 22 GLY H . 25987 1 225 . 1 . 1 22 22 GLY HA2 H 1 3.985 0.020 . 2 . . . . A 22 GLY HA2 . 25987 1 226 . 1 . 1 22 22 GLY HA3 H 1 3.837 0.020 . 2 . . . . A 22 GLY HA3 . 25987 1 227 . 1 . 1 22 22 GLY CA C 13 46.532 0.400 . 1 . . . . A 22 GLY CA . 25987 1 228 . 1 . 1 22 22 GLY N N 15 109.293 0.400 . 1 . . . . A 22 GLY N . 25987 1 229 . 1 . 1 23 23 SER H H 1 7.422 0.020 . 1 . . . . A 23 SER H . 25987 1 230 . 1 . 1 23 23 SER HA H 1 4.986 0.020 . 1 . . . . A 23 SER HA . 25987 1 231 . 1 . 1 23 23 SER HB2 H 1 3.923 0.020 . 2 . . . . A 23 SER HB2 . 25987 1 232 . 1 . 1 23 23 SER HB3 H 1 3.719 0.020 . 2 . . . . A 23 SER HB3 . 25987 1 233 . 1 . 1 23 23 SER CA C 13 55.592 0.400 . 1 . . . . A 23 SER CA . 25987 1 234 . 1 . 1 23 23 SER CB C 13 64.708 0.400 . 1 . . . . A 23 SER CB . 25987 1 235 . 1 . 1 23 23 SER N N 15 112.563 0.400 . 1 . . . . A 23 SER N . 25987 1 236 . 1 . 1 24 24 PRO HA H 1 4.400 0.020 . 1 . . . . A 24 PRO HA . 25987 1 237 . 1 . 1 24 24 PRO HB2 H 1 1.938 0.020 . 2 . . . . A 24 PRO HB2 . 25987 1 238 . 1 . 1 24 24 PRO HB3 H 1 1.575 0.020 . 2 . . . . A 24 PRO HB3 . 25987 1 239 . 1 . 1 24 24 PRO HG2 H 1 2.109 0.020 . 2 . . . . A 24 PRO HG2 . 25987 1 240 . 1 . 1 24 24 PRO HG3 H 1 1.872 0.020 . 2 . . . . A 24 PRO HG3 . 25987 1 241 . 1 . 1 24 24 PRO HD2 H 1 3.735 0.020 . 2 . . . . A 24 PRO HD2 . 25987 1 242 . 1 . 1 24 24 PRO HD3 H 1 3.838 0.020 . 2 . . . . A 24 PRO HD3 . 25987 1 243 . 1 . 1 24 24 PRO CA C 13 63.576 0.400 . 1 . . . . A 24 PRO CA . 25987 1 244 . 1 . 1 24 24 PRO CB C 13 32.222 0.400 . 1 . . . . A 24 PRO CB . 25987 1 245 . 1 . 1 24 24 PRO CG C 13 27.930 0.400 . 1 . . . . A 24 PRO CG . 25987 1 246 . 1 . 1 24 24 PRO CD C 13 50.783 0.400 . 1 . . . . A 24 PRO CD . 25987 1 247 . 1 . 1 25 25 ALA H H 1 8.068 0.020 . 1 . . . . A 25 ALA H . 25987 1 248 . 1 . 1 25 25 ALA HA H 1 4.464 0.020 . 1 . . . . A 25 ALA HA . 25987 1 249 . 1 . 1 25 25 ALA HB1 H 1 0.372 0.020 . 1 . . . . A 25 ALA HB1 . 25987 1 250 . 1 . 1 25 25 ALA HB2 H 1 0.372 0.020 . 1 . . . . A 25 ALA HB2 . 25987 1 251 . 1 . 1 25 25 ALA HB3 H 1 0.372 0.020 . 1 . . . . A 25 ALA HB3 . 25987 1 252 . 1 . 1 25 25 ALA CA C 13 50.805 0.400 . 1 . . . . A 25 ALA CA . 25987 1 253 . 1 . 1 25 25 ALA CB C 13 19.106 0.400 . 1 . . . . A 25 ALA CB . 25987 1 254 . 1 . 1 25 25 ALA N N 15 126.967 0.400 . 1 . . . . A 25 ALA N . 25987 1 255 . 1 . 1 26 26 ILE H H 1 8.073 0.020 . 1 . . . . A 26 ILE H . 25987 1 256 . 1 . 1 26 26 ILE HA H 1 3.819 0.020 . 1 . . . . A 26 ILE HA . 25987 1 257 . 1 . 1 26 26 ILE HB H 1 1.643 0.020 . 1 . . . . A 26 ILE HB . 25987 1 258 . 1 . 1 26 26 ILE HG12 H 1 1.436 0.020 . 2 . . . . A 26 ILE HG12 . 25987 1 259 . 1 . 1 26 26 ILE HG13 H 1 1.110 0.020 . 2 . . . . A 26 ILE HG13 . 25987 1 260 . 1 . 1 26 26 ILE HG21 H 1 0.821 0.020 . 1 . . . . A 26 ILE HG21 . 25987 1 261 . 1 . 1 26 26 ILE HG22 H 1 0.821 0.020 . 1 . . . . A 26 ILE HG22 . 25987 1 262 . 1 . 1 26 26 ILE HG23 H 1 0.821 0.020 . 1 . . . . A 26 ILE HG23 . 25987 1 263 . 1 . 1 26 26 ILE HD11 H 1 0.912 0.020 . 1 . . . . A 26 ILE HD11 . 25987 1 264 . 1 . 1 26 26 ILE HD12 H 1 0.912 0.020 . 1 . . . . A 26 ILE HD12 . 25987 1 265 . 1 . 1 26 26 ILE HD13 H 1 0.912 0.020 . 1 . . . . A 26 ILE HD13 . 25987 1 266 . 1 . 1 26 26 ILE CA C 13 61.794 0.400 . 1 . . . . A 26 ILE CA . 25987 1 267 . 1 . 1 26 26 ILE CB C 13 39.761 0.400 . 1 . . . . A 26 ILE CB . 25987 1 268 . 1 . 1 26 26 ILE CG1 C 13 26.955 0.400 . 1 . . . . A 26 ILE CG1 . 25987 1 269 . 1 . 1 26 26 ILE CG2 C 13 17.024 0.400 . 1 . . . . A 26 ILE CG2 . 25987 1 270 . 1 . 1 26 26 ILE CD1 C 13 13.986 0.400 . 1 . . . . A 26 ILE CD1 . 25987 1 271 . 1 . 1 26 26 ILE N N 15 126.988 0.400 . 1 . . . . A 26 ILE N . 25987 1 272 . 1 . 1 27 27 ASN H H 1 7.856 0.020 . 1 . . . . A 27 ASN H . 25987 1 273 . 1 . 1 27 27 ASN HA H 1 4.307 0.020 . 1 . . . . A 27 ASN HA . 25987 1 274 . 1 . 1 27 27 ASN HB2 H 1 2.696 0.020 . 2 . . . . A 27 ASN HB2 . 25987 1 275 . 1 . 1 27 27 ASN HB3 H 1 3.198 0.020 . 2 . . . . A 27 ASN HB3 . 25987 1 276 . 1 . 1 27 27 ASN HD21 H 1 6.881 0.020 . 2 . . . . A 27 ASN HD21 . 25987 1 277 . 1 . 1 27 27 ASN HD22 H 1 7.624 0.020 . 2 . . . . A 27 ASN HD22 . 25987 1 278 . 1 . 1 27 27 ASN CA C 13 54.551 0.400 . 1 . . . . A 27 ASN CA . 25987 1 279 . 1 . 1 27 27 ASN CB C 13 37.201 0.400 . 1 . . . . A 27 ASN CB . 25987 1 280 . 1 . 1 27 27 ASN N N 15 122.121 0.400 . 1 . . . . A 27 ASN N . 25987 1 281 . 1 . 1 27 27 ASN ND2 N 15 112.424 0.400 . 1 . . . . A 27 ASN ND2 . 25987 1 282 . 1 . 1 28 28 VAL H H 1 8.307 0.020 . 1 . . . . A 28 VAL H . 25987 1 283 . 1 . 1 28 28 VAL HA H 1 3.945 0.020 . 1 . . . . A 28 VAL HA . 25987 1 284 . 1 . 1 28 28 VAL HB H 1 1.717 0.020 . 1 . . . . A 28 VAL HB . 25987 1 285 . 1 . 1 28 28 VAL HG11 H 1 0.587 0.020 . 2 . . . . A 28 VAL HG11 . 25987 1 286 . 1 . 1 28 28 VAL HG12 H 1 0.587 0.020 . 2 . . . . A 28 VAL HG12 . 25987 1 287 . 1 . 1 28 28 VAL HG13 H 1 0.587 0.020 . 2 . . . . A 28 VAL HG13 . 25987 1 288 . 1 . 1 28 28 VAL HG21 H 1 0.272 0.020 . 2 . . . . A 28 VAL HG21 . 25987 1 289 . 1 . 1 28 28 VAL HG22 H 1 0.272 0.020 . 2 . . . . A 28 VAL HG22 . 25987 1 290 . 1 . 1 28 28 VAL HG23 H 1 0.272 0.020 . 2 . . . . A 28 VAL HG23 . 25987 1 291 . 1 . 1 28 28 VAL CA C 13 62.192 0.400 . 1 . . . . A 28 VAL CA . 25987 1 292 . 1 . 1 28 28 VAL CB C 13 31.994 0.400 . 1 . . . . A 28 VAL CB . 25987 1 293 . 1 . 1 28 28 VAL CG1 C 13 22.410 0.400 . 1 . . . . A 28 VAL CG1 . 25987 1 294 . 1 . 1 28 28 VAL CG2 C 13 23.434 0.400 . 1 . . . . A 28 VAL CG2 . 25987 1 295 . 1 . 1 28 28 VAL N N 15 119.630 0.400 . 1 . . . . A 28 VAL N . 25987 1 296 . 1 . 1 29 29 ALA H H 1 8.796 0.020 . 1 . . . . A 29 ALA H . 25987 1 297 . 1 . 1 29 29 ALA HA H 1 4.570 0.020 . 1 . . . . A 29 ALA HA . 25987 1 298 . 1 . 1 29 29 ALA HB1 H 1 1.519 0.020 . 1 . . . . A 29 ALA HB1 . 25987 1 299 . 1 . 1 29 29 ALA HB2 H 1 1.519 0.020 . 1 . . . . A 29 ALA HB2 . 25987 1 300 . 1 . 1 29 29 ALA HB3 H 1 1.519 0.020 . 1 . . . . A 29 ALA HB3 . 25987 1 301 . 1 . 1 29 29 ALA CA C 13 52.586 0.400 . 1 . . . . A 29 ALA CA . 25987 1 302 . 1 . 1 29 29 ALA CB C 13 19.838 0.400 . 1 . . . . A 29 ALA CB . 25987 1 303 . 1 . 1 29 29 ALA N N 15 130.417 0.400 . 1 . . . . A 29 ALA N . 25987 1 304 . 1 . 1 30 30 VAL H H 1 8.505 0.020 . 1 . . . . A 30 VAL H . 25987 1 305 . 1 . 1 30 30 VAL HA H 1 4.576 0.020 . 1 . . . . A 30 VAL HA . 25987 1 306 . 1 . 1 30 30 VAL HB H 1 1.521 0.020 . 1 . . . . A 30 VAL HB . 25987 1 307 . 1 . 1 30 30 VAL HG11 H 1 0.626 0.020 . 2 . . . . A 30 VAL HG11 . 25987 1 308 . 1 . 1 30 30 VAL HG12 H 1 0.626 0.020 . 2 . . . . A 30 VAL HG12 . 25987 1 309 . 1 . 1 30 30 VAL HG13 H 1 0.626 0.020 . 2 . . . . A 30 VAL HG13 . 25987 1 310 . 1 . 1 30 30 VAL HG21 H 1 0.651 0.020 . 2 . . . . A 30 VAL HG21 . 25987 1 311 . 1 . 1 30 30 VAL HG22 H 1 0.651 0.020 . 2 . . . . A 30 VAL HG22 . 25987 1 312 . 1 . 1 30 30 VAL HG23 H 1 0.651 0.020 . 2 . . . . A 30 VAL HG23 . 25987 1 313 . 1 . 1 30 30 VAL CA C 13 60.682 0.400 . 1 . . . . A 30 VAL CA . 25987 1 314 . 1 . 1 30 30 VAL CB C 13 34.462 0.400 . 1 . . . . A 30 VAL CB . 25987 1 315 . 1 . 1 30 30 VAL CG1 C 13 21.338 0.400 . 1 . . . . A 30 VAL CG1 . 25987 1 316 . 1 . 1 30 30 VAL CG2 C 13 20.936 0.400 . 1 . . . . A 30 VAL CG2 . 25987 1 317 . 1 . 1 30 30 VAL N N 15 122.626 0.400 . 1 . . . . A 30 VAL N . 25987 1 318 . 1 . 1 31 31 HIS H H 1 9.124 0.020 . 1 . . . . A 31 HIS H . 25987 1 319 . 1 . 1 31 31 HIS HA H 1 4.962 0.020 . 1 . . . . A 31 HIS HA . 25987 1 320 . 1 . 1 31 31 HIS HB2 H 1 3.101 0.020 . 2 . . . . A 31 HIS HB2 . 25987 1 321 . 1 . 1 31 31 HIS HB3 H 1 2.963 0.020 . 2 . . . . A 31 HIS HB3 . 25987 1 322 . 1 . 1 31 31 HIS HD2 H 1 7.115 0.020 . 1 . . . . A 31 HIS HD2 . 25987 1 323 . 1 . 1 31 31 HIS CA C 13 55.059 0.400 . 1 . . . . A 31 HIS CA . 25987 1 324 . 1 . 1 31 31 HIS CB C 13 33.104 0.400 . 1 . . . . A 31 HIS CB . 25987 1 325 . 1 . 1 31 31 HIS CD2 C 13 120.151 0.400 . 1 . . . . A 31 HIS CD2 . 25987 1 326 . 1 . 1 31 31 HIS N N 15 124.109 0.400 . 1 . . . . A 31 HIS N . 25987 1 327 . 1 . 1 32 32 VAL H H 1 9.263 0.020 . 1 . . . . A 32 VAL H . 25987 1 328 . 1 . 1 32 32 VAL HA H 1 5.510 0.020 . 1 . . . . A 32 VAL HA . 25987 1 329 . 1 . 1 32 32 VAL HB H 1 2.242 0.020 . 1 . . . . A 32 VAL HB . 25987 1 330 . 1 . 1 32 32 VAL HG11 H 1 1.251 0.020 . 2 . . . . A 32 VAL HG11 . 25987 1 331 . 1 . 1 32 32 VAL HG12 H 1 1.251 0.020 . 2 . . . . A 32 VAL HG12 . 25987 1 332 . 1 . 1 32 32 VAL HG13 H 1 1.251 0.020 . 2 . . . . A 32 VAL HG13 . 25987 1 333 . 1 . 1 32 32 VAL HG21 H 1 0.868 0.020 . 2 . . . . A 32 VAL HG21 . 25987 1 334 . 1 . 1 32 32 VAL HG22 H 1 0.868 0.020 . 2 . . . . A 32 VAL HG22 . 25987 1 335 . 1 . 1 32 32 VAL HG23 H 1 0.868 0.020 . 2 . . . . A 32 VAL HG23 . 25987 1 336 . 1 . 1 32 32 VAL CA C 13 60.161 0.400 . 1 . . . . A 32 VAL CA . 25987 1 337 . 1 . 1 32 32 VAL CB C 13 33.172 0.400 . 1 . . . . A 32 VAL CB . 25987 1 338 . 1 . 1 32 32 VAL CG1 C 13 22.428 0.400 . 1 . . . . A 32 VAL CG1 . 25987 1 339 . 1 . 1 32 32 VAL CG2 C 13 21.854 0.400 . 1 . . . . A 32 VAL CG2 . 25987 1 340 . 1 . 1 32 32 VAL N N 15 121.663 0.400 . 1 . . . . A 32 VAL N . 25987 1 341 . 1 . 1 33 33 PHE H H 1 10.064 0.020 . 1 . . . . A 33 PHE H . 25987 1 342 . 1 . 1 33 33 PHE HA H 1 5.529 0.020 . 1 . . . . A 33 PHE HA . 25987 1 343 . 1 . 1 33 33 PHE HB2 H 1 2.694 0.020 . 2 . . . . A 33 PHE HB2 . 25987 1 344 . 1 . 1 33 33 PHE HB3 H 1 3.258 0.020 . 2 . . . . A 33 PHE HB3 . 25987 1 345 . 1 . 1 33 33 PHE HD1 H 1 6.852 0.020 . 1 . . . . A 33 PHE HD1 . 25987 1 346 . 1 . 1 33 33 PHE HD2 H 1 6.852 0.020 . 1 . . . . A 33 PHE HD2 . 25987 1 347 . 1 . 1 33 33 PHE HE1 H 1 7.259 0.020 . 1 . . . . A 33 PHE HE1 . 25987 1 348 . 1 . 1 33 33 PHE HE2 H 1 7.259 0.020 . 1 . . . . A 33 PHE HE2 . 25987 1 349 . 1 . 1 33 33 PHE CA C 13 56.449 0.400 . 1 . . . . A 33 PHE CA . 25987 1 350 . 1 . 1 33 33 PHE CB C 13 44.635 0.400 . 1 . . . . A 33 PHE CB . 25987 1 351 . 1 . 1 33 33 PHE CD1 C 13 131.750 0.400 . 1 . . . . A 33 PHE CD1 . 25987 1 352 . 1 . 1 33 33 PHE CE1 C 13 131.490 0.400 . 1 . . . . A 33 PHE CE1 . 25987 1 353 . 1 . 1 33 33 PHE N N 15 128.596 0.400 . 1 . . . . A 33 PHE N . 25987 1 354 . 1 . 1 34 34 ARG H H 1 9.624 0.020 . 1 . . . . A 34 ARG H . 25987 1 355 . 1 . 1 34 34 ARG HA H 1 5.006 0.020 . 1 . . . . A 34 ARG HA . 25987 1 356 . 1 . 1 34 34 ARG HB2 H 1 1.768 0.020 . 2 . . . . A 34 ARG HB2 . 25987 1 357 . 1 . 1 34 34 ARG HB3 H 1 1.080 0.020 . 2 . . . . A 34 ARG HB3 . 25987 1 358 . 1 . 1 34 34 ARG HG2 H 1 1.249 0.020 . 1 . . . . A 34 ARG HG2 . 25987 1 359 . 1 . 1 34 34 ARG HG3 H 1 1.249 0.020 . 1 . . . . A 34 ARG HG3 . 25987 1 360 . 1 . 1 34 34 ARG HD2 H 1 2.941 0.020 . 2 . . . . A 34 ARG HD2 . 25987 1 361 . 1 . 1 34 34 ARG HD3 H 1 2.801 0.020 . 2 . . . . A 34 ARG HD3 . 25987 1 362 . 1 . 1 34 34 ARG HH11 H 1 6.998 0.020 . 1 . . . . A 34 ARG HH11 . 25987 1 363 . 1 . 1 34 34 ARG HH12 H 1 6.998 0.020 . 1 . . . . A 34 ARG HH12 . 25987 1 364 . 1 . 1 34 34 ARG CA C 13 54.295 0.400 . 1 . . . . A 34 ARG CA . 25987 1 365 . 1 . 1 34 34 ARG CB C 13 34.401 0.400 . 1 . . . . A 34 ARG CB . 25987 1 366 . 1 . 1 34 34 ARG CG C 13 27.023 0.400 . 1 . . . . A 34 ARG CG . 25987 1 367 . 1 . 1 34 34 ARG CD C 13 43.324 0.400 . 1 . . . . A 34 ARG CD . 25987 1 368 . 1 . 1 34 34 ARG N N 15 122.685 0.400 . 1 . . . . A 34 ARG N . 25987 1 369 . 1 . 1 35 35 LYS H H 1 8.779 0.020 . 1 . . . . A 35 LYS H . 25987 1 370 . 1 . 1 35 35 LYS HA H 1 3.775 0.020 . 1 . . . . A 35 LYS HA . 25987 1 371 . 1 . 1 35 35 LYS HB2 H 1 1.366 0.020 . 2 . . . . A 35 LYS HB2 . 25987 1 372 . 1 . 1 35 35 LYS HB3 H 1 0.797 0.020 . 2 . . . . A 35 LYS HB3 . 25987 1 373 . 1 . 1 35 35 LYS HG2 H 1 0.040 0.020 . 1 . . . . A 35 LYS HG2 . 25987 1 374 . 1 . 1 35 35 LYS HG3 H 1 0.040 0.020 . 1 . . . . A 35 LYS HG3 . 25987 1 375 . 1 . 1 35 35 LYS HD2 H 1 0.963 0.020 . 1 . . . . A 35 LYS HD2 . 25987 1 376 . 1 . 1 35 35 LYS HD3 H 1 0.963 0.020 . 1 . . . . A 35 LYS HD3 . 25987 1 377 . 1 . 1 35 35 LYS HE2 H 1 2.260 0.020 . 1 . . . . A 35 LYS HE2 . 25987 1 378 . 1 . 1 35 35 LYS HE3 H 1 2.260 0.020 . 1 . . . . A 35 LYS HE3 . 25987 1 379 . 1 . 1 35 35 LYS CA C 13 57.360 0.400 . 1 . . . . A 35 LYS CA . 25987 1 380 . 1 . 1 35 35 LYS CB C 13 32.049 0.400 . 1 . . . . A 35 LYS CB . 25987 1 381 . 1 . 1 35 35 LYS CG C 13 24.155 0.400 . 1 . . . . A 35 LYS CG . 25987 1 382 . 1 . 1 35 35 LYS CD C 13 28.590 0.400 . 1 . . . . A 35 LYS CD . 25987 1 383 . 1 . 1 35 35 LYS CE C 13 41.383 0.400 . 1 . . . . A 35 LYS CE . 25987 1 384 . 1 . 1 35 35 LYS N N 15 130.271 0.400 . 1 . . . . A 35 LYS N . 25987 1 385 . 1 . 1 36 36 ALA H H 1 8.924 0.020 . 1 . . . . A 36 ALA H . 25987 1 386 . 1 . 1 36 36 ALA HA H 1 4.486 0.020 . 1 . . . . A 36 ALA HA . 25987 1 387 . 1 . 1 36 36 ALA HB1 H 1 1.456 0.020 . 1 . . . . A 36 ALA HB1 . 25987 1 388 . 1 . 1 36 36 ALA HB2 H 1 1.456 0.020 . 1 . . . . A 36 ALA HB2 . 25987 1 389 . 1 . 1 36 36 ALA HB3 H 1 1.456 0.020 . 1 . . . . A 36 ALA HB3 . 25987 1 390 . 1 . 1 36 36 ALA CA C 13 51.075 0.400 . 1 . . . . A 36 ALA CA . 25987 1 391 . 1 . 1 36 36 ALA CB C 13 20.680 0.400 . 1 . . . . A 36 ALA CB . 25987 1 392 . 1 . 1 36 36 ALA N N 15 131.457 0.400 . 1 . . . . A 36 ALA N . 25987 1 393 . 1 . 1 37 37 ALA H H 1 8.545 0.020 . 1 . . . . A 37 ALA H . 25987 1 394 . 1 . 1 37 37 ALA HA H 1 4.039 0.020 . 1 . . . . A 37 ALA HA . 25987 1 395 . 1 . 1 37 37 ALA HB1 H 1 1.392 0.020 . 1 . . . . A 37 ALA HB1 . 25987 1 396 . 1 . 1 37 37 ALA HB2 H 1 1.392 0.020 . 1 . . . . A 37 ALA HB2 . 25987 1 397 . 1 . 1 37 37 ALA HB3 H 1 1.392 0.020 . 1 . . . . A 37 ALA HB3 . 25987 1 398 . 1 . 1 37 37 ALA CA C 13 54.391 0.400 . 1 . . . . A 37 ALA CA . 25987 1 399 . 1 . 1 37 37 ALA CB C 13 18.372 0.400 . 1 . . . . A 37 ALA CB . 25987 1 400 . 1 . 1 37 37 ALA N N 15 122.600 0.400 . 1 . . . . A 37 ALA N . 25987 1 401 . 1 . 1 38 38 ASP H H 1 7.777 0.020 . 1 . . . . A 38 ASP H . 25987 1 402 . 1 . 1 38 38 ASP HA H 1 4.411 0.020 . 1 . . . . A 38 ASP HA . 25987 1 403 . 1 . 1 38 38 ASP HB2 H 1 2.946 0.020 . 2 . . . . A 38 ASP HB2 . 25987 1 404 . 1 . 1 38 38 ASP HB3 H 1 2.474 0.020 . 2 . . . . A 38 ASP HB3 . 25987 1 405 . 1 . 1 38 38 ASP CA C 13 53.235 0.400 . 1 . . . . A 38 ASP CA . 25987 1 406 . 1 . 1 38 38 ASP CB C 13 39.609 0.400 . 1 . . . . A 38 ASP CB . 25987 1 407 . 1 . 1 38 38 ASP N N 15 115.711 0.400 . 1 . . . . A 38 ASP N . 25987 1 408 . 1 . 1 39 39 ASP H H 1 8.004 0.020 . 1 . . . . A 39 ASP H . 25987 1 409 . 1 . 1 39 39 ASP HA H 1 3.913 0.020 . 1 . . . . A 39 ASP HA . 25987 1 410 . 1 . 1 39 39 ASP HB2 H 1 2.774 0.020 . 1 . . . . A 39 ASP HB2 . 25987 1 411 . 1 . 1 39 39 ASP HB3 H 1 2.774 0.020 . 1 . . . . A 39 ASP HB3 . 25987 1 412 . 1 . 1 39 39 ASP CA C 13 56.276 0.400 . 1 . . . . A 39 ASP CA . 25987 1 413 . 1 . 1 39 39 ASP CB C 13 39.284 0.400 . 1 . . . . A 39 ASP CB . 25987 1 414 . 1 . 1 39 39 ASP N N 15 112.985 0.400 . 1 . . . . A 39 ASP N . 25987 1 415 . 1 . 1 40 40 THR H H 1 7.372 0.020 . 1 . . . . A 40 THR H . 25987 1 416 . 1 . 1 40 40 THR HA H 1 4.199 0.020 . 1 . . . . A 40 THR HA . 25987 1 417 . 1 . 1 40 40 THR HB H 1 4.127 0.020 . 1 . . . . A 40 THR HB . 25987 1 418 . 1 . 1 40 40 THR HG21 H 1 1.088 0.020 . 1 . . . . A 40 THR HG21 . 25987 1 419 . 1 . 1 40 40 THR HG22 H 1 1.088 0.020 . 1 . . . . A 40 THR HG22 . 25987 1 420 . 1 . 1 40 40 THR HG23 H 1 1.088 0.020 . 1 . . . . A 40 THR HG23 . 25987 1 421 . 1 . 1 40 40 THR CA C 13 61.544 0.400 . 1 . . . . A 40 THR CA . 25987 1 422 . 1 . 1 40 40 THR CB C 13 71.016 0.400 . 1 . . . . A 40 THR CB . 25987 1 423 . 1 . 1 40 40 THR CG2 C 13 21.585 0.400 . 1 . . . . A 40 THR CG2 . 25987 1 424 . 1 . 1 40 40 THR N N 15 110.743 0.400 . 1 . . . . A 40 THR N . 25987 1 425 . 1 . 1 41 41 TRP H H 1 8.487 0.020 . 1 . . . . A 41 TRP H . 25987 1 426 . 1 . 1 41 41 TRP HA H 1 4.871 0.020 . 1 . . . . A 41 TRP HA . 25987 1 427 . 1 . 1 41 41 TRP HB2 H 1 2.850 0.020 . 2 . . . . A 41 TRP HB2 . 25987 1 428 . 1 . 1 41 41 TRP HB3 H 1 2.726 0.020 . 2 . . . . A 41 TRP HB3 . 25987 1 429 . 1 . 1 41 41 TRP HD1 H 1 7.107 0.020 . 1 . . . . A 41 TRP HD1 . 25987 1 430 . 1 . 1 41 41 TRP HE1 H 1 9.975 0.020 . 1 . . . . A 41 TRP HE1 . 25987 1 431 . 1 . 1 41 41 TRP HE3 H 1 7.042 0.020 . 1 . . . . A 41 TRP HE3 . 25987 1 432 . 1 . 1 41 41 TRP HZ2 H 1 7.444 0.020 . 1 . . . . A 41 TRP HZ2 . 25987 1 433 . 1 . 1 41 41 TRP HZ3 H 1 6.793 0.020 . 1 . . . . A 41 TRP HZ3 . 25987 1 434 . 1 . 1 41 41 TRP HH2 H 1 6.938 0.020 . 1 . . . . A 41 TRP HH2 . 25987 1 435 . 1 . 1 41 41 TRP CA C 13 55.678 0.400 . 1 . . . . A 41 TRP CA . 25987 1 436 . 1 . 1 41 41 TRP CB C 13 30.357 0.400 . 1 . . . . A 41 TRP CB . 25987 1 437 . 1 . 1 41 41 TRP CD1 C 13 127.739 0.400 . 1 . . . . A 41 TRP CD1 . 25987 1 438 . 1 . 1 41 41 TRP CE3 C 13 119.132 0.400 . 1 . . . . A 41 TRP CE3 . 25987 1 439 . 1 . 1 41 41 TRP CZ2 C 13 114.909 0.400 . 1 . . . . A 41 TRP CZ2 . 25987 1 440 . 1 . 1 41 41 TRP CZ3 C 13 123.101 0.400 . 1 . . . . A 41 TRP CZ3 . 25987 1 441 . 1 . 1 41 41 TRP CH2 C 13 124.537 0.400 . 1 . . . . A 41 TRP CH2 . 25987 1 442 . 1 . 1 41 41 TRP N N 15 120.040 0.400 . 1 . . . . A 41 TRP N . 25987 1 443 . 1 . 1 41 41 TRP NE1 N 15 128.540 0.400 . 1 . . . . A 41 TRP NE1 . 25987 1 444 . 1 . 1 42 42 GLU H H 1 9.361 0.020 . 1 . . . . A 42 GLU H . 25987 1 445 . 1 . 1 42 42 GLU HA H 1 5.171 0.020 . 1 . . . . A 42 GLU HA . 25987 1 446 . 1 . 1 42 42 GLU HB2 H 1 2.171 0.020 . 2 . . . . A 42 GLU HB2 . 25987 1 447 . 1 . 1 42 42 GLU HB3 H 1 2.273 0.020 . 2 . . . . A 42 GLU HB3 . 25987 1 448 . 1 . 1 42 42 GLU HG2 H 1 2.392 0.020 . 1 . . . . A 42 GLU HG2 . 25987 1 449 . 1 . 1 42 42 GLU HG3 H 1 2.392 0.020 . 1 . . . . A 42 GLU HG3 . 25987 1 450 . 1 . 1 42 42 GLU CA C 13 53.190 0.400 . 1 . . . . A 42 GLU CA . 25987 1 451 . 1 . 1 42 42 GLU CB C 13 31.656 0.400 . 1 . . . . A 42 GLU CB . 25987 1 452 . 1 . 1 42 42 GLU CG C 13 35.987 0.400 . 1 . . . . A 42 GLU CG . 25987 1 453 . 1 . 1 42 42 GLU N N 15 126.826 0.400 . 1 . . . . A 42 GLU N . 25987 1 454 . 1 . 1 43 43 PRO HA H 1 4.192 0.020 . 1 . . . . A 43 PRO HA . 25987 1 455 . 1 . 1 43 43 PRO HB2 H 1 2.325 0.020 . 2 . . . . A 43 PRO HB2 . 25987 1 456 . 1 . 1 43 43 PRO HB3 H 1 1.990 0.020 . 2 . . . . A 43 PRO HB3 . 25987 1 457 . 1 . 1 43 43 PRO HG2 H 1 2.330 0.020 . 2 . . . . A 43 PRO HG2 . 25987 1 458 . 1 . 1 43 43 PRO HG3 H 1 2.173 0.020 . 2 . . . . A 43 PRO HG3 . 25987 1 459 . 1 . 1 43 43 PRO HD2 H 1 3.946 0.020 . 2 . . . . A 43 PRO HD2 . 25987 1 460 . 1 . 1 43 43 PRO HD3 H 1 4.269 0.020 . 2 . . . . A 43 PRO HD3 . 25987 1 461 . 1 . 1 43 43 PRO CA C 13 65.013 0.400 . 1 . . . . A 43 PRO CA . 25987 1 462 . 1 . 1 43 43 PRO CB C 13 32.078 0.400 . 1 . . . . A 43 PRO CB . 25987 1 463 . 1 . 1 43 43 PRO CG C 13 28.136 0.400 . 1 . . . . A 43 PRO CG . 25987 1 464 . 1 . 1 43 43 PRO CD C 13 51.359 0.400 . 1 . . . . A 43 PRO CD . 25987 1 465 . 1 . 1 44 44 PHE H H 1 8.908 0.020 . 1 . . . . A 44 PHE H . 25987 1 466 . 1 . 1 44 44 PHE HA H 1 4.857 0.020 . 1 . . . . A 44 PHE HA . 25987 1 467 . 1 . 1 44 44 PHE HB2 H 1 3.169 0.020 . 2 . . . . A 44 PHE HB2 . 25987 1 468 . 1 . 1 44 44 PHE HB3 H 1 2.632 0.020 . 2 . . . . A 44 PHE HB3 . 25987 1 469 . 1 . 1 44 44 PHE HD1 H 1 7.250 0.020 . 1 . . . . A 44 PHE HD1 . 25987 1 470 . 1 . 1 44 44 PHE HD2 H 1 7.250 0.020 . 1 . . . . A 44 PHE HD2 . 25987 1 471 . 1 . 1 44 44 PHE HE1 H 1 7.250 0.020 . 1 . . . . A 44 PHE HE1 . 25987 1 472 . 1 . 1 44 44 PHE HE2 H 1 7.250 0.020 . 1 . . . . A 44 PHE HE2 . 25987 1 473 . 1 . 1 44 44 PHE HZ H 1 7.250 0.020 . 1 . . . . A 44 PHE HZ . 25987 1 474 . 1 . 1 44 44 PHE CA C 13 59.305 0.400 . 1 . . . . A 44 PHE CA . 25987 1 475 . 1 . 1 44 44 PHE CB C 13 42.769 0.400 . 1 . . . . A 44 PHE CB . 25987 1 476 . 1 . 1 44 44 PHE CD1 C 13 131.354 0.400 . 1 . . . . A 44 PHE CD1 . 25987 1 477 . 1 . 1 44 44 PHE N N 15 125.231 0.400 . 1 . . . . A 44 PHE N . 25987 1 478 . 1 . 1 45 45 ALA H H 1 7.967 0.020 . 1 . . . . A 45 ALA H . 25987 1 479 . 1 . 1 45 45 ALA HA H 1 4.554 0.020 . 1 . . . . A 45 ALA HA . 25987 1 480 . 1 . 1 45 45 ALA HB1 H 1 1.222 0.020 . 1 . . . . A 45 ALA HB1 . 25987 1 481 . 1 . 1 45 45 ALA HB2 H 1 1.222 0.020 . 1 . . . . A 45 ALA HB2 . 25987 1 482 . 1 . 1 45 45 ALA HB3 H 1 1.222 0.020 . 1 . . . . A 45 ALA HB3 . 25987 1 483 . 1 . 1 45 45 ALA CA C 13 52.487 0.400 . 1 . . . . A 45 ALA CA . 25987 1 484 . 1 . 1 45 45 ALA CB C 13 23.311 0.400 . 1 . . . . A 45 ALA CB . 25987 1 485 . 1 . 1 45 45 ALA N N 15 118.836 0.400 . 1 . . . . A 45 ALA N . 25987 1 486 . 1 . 1 46 46 SER H H 1 8.642 0.020 . 1 . . . . A 46 SER H . 25987 1 487 . 1 . 1 46 46 SER HA H 1 5.120 0.020 . 1 . . . . A 46 SER HA . 25987 1 488 . 1 . 1 46 46 SER HB2 H 1 3.914 0.020 . 2 . . . . A 46 SER HB2 . 25987 1 489 . 1 . 1 46 46 SER HB3 H 1 3.680 0.020 . 2 . . . . A 46 SER HB3 . 25987 1 490 . 1 . 1 46 46 SER CA C 13 57.795 0.400 . 1 . . . . A 46 SER CA . 25987 1 491 . 1 . 1 46 46 SER CB C 13 66.180 0.400 . 1 . . . . A 46 SER CB . 25987 1 492 . 1 . 1 46 46 SER N N 15 113.505 0.400 . 1 . . . . A 46 SER N . 25987 1 493 . 1 . 1 47 47 GLY H H 1 8.454 0.020 . 1 . . . . A 47 GLY H . 25987 1 494 . 1 . 1 47 47 GLY HA2 H 1 4.193 0.020 . 2 . . . . A 47 GLY HA2 . 25987 1 495 . 1 . 1 47 47 GLY HA3 H 1 3.917 0.020 . 2 . . . . A 47 GLY HA3 . 25987 1 496 . 1 . 1 47 47 GLY CA C 13 45.841 0.400 . 1 . . . . A 47 GLY CA . 25987 1 497 . 1 . 1 47 47 GLY N N 15 106.711 0.400 . 1 . . . . A 47 GLY N . 25987 1 498 . 1 . 1 48 48 LYS H H 1 8.618 0.020 . 1 . . . . A 48 LYS H . 25987 1 499 . 1 . 1 48 48 LYS HA H 1 5.564 0.020 . 1 . . . . A 48 LYS HA . 25987 1 500 . 1 . 1 48 48 LYS HB2 H 1 1.528 0.020 . 1 . . . . A 48 LYS HB2 . 25987 1 501 . 1 . 1 48 48 LYS HB3 H 1 1.528 0.020 . 1 . . . . A 48 LYS HB3 . 25987 1 502 . 1 . 1 48 48 LYS HG2 H 1 1.334 0.020 . 2 . . . . A 48 LYS HG2 . 25987 1 503 . 1 . 1 48 48 LYS HG3 H 1 1.194 0.020 . 2 . . . . A 48 LYS HG3 . 25987 1 504 . 1 . 1 48 48 LYS HD2 H 1 1.580 0.020 . 2 . . . . A 48 LYS HD2 . 25987 1 505 . 1 . 1 48 48 LYS HD3 H 1 1.518 0.020 . 2 . . . . A 48 LYS HD3 . 25987 1 506 . 1 . 1 48 48 LYS HE2 H 1 2.924 0.020 . 1 . . . . A 48 LYS HE2 . 25987 1 507 . 1 . 1 48 48 LYS HE3 H 1 2.924 0.020 . 1 . . . . A 48 LYS HE3 . 25987 1 508 . 1 . 1 48 48 LYS CA C 13 53.877 0.400 . 1 . . . . A 48 LYS CA . 25987 1 509 . 1 . 1 48 48 LYS CB C 13 36.253 0.400 . 1 . . . . A 48 LYS CB . 25987 1 510 . 1 . 1 48 48 LYS CG C 13 24.750 0.400 . 1 . . . . A 48 LYS CG . 25987 1 511 . 1 . 1 48 48 LYS CD C 13 29.355 0.400 . 1 . . . . A 48 LYS CD . 25987 1 512 . 1 . 1 48 48 LYS CE C 13 42.236 0.400 . 1 . . . . A 48 LYS CE . 25987 1 513 . 1 . 1 48 48 LYS N N 15 120.308 0.400 . 1 . . . . A 48 LYS N . 25987 1 514 . 1 . 1 49 49 THR H H 1 8.685 0.020 . 1 . . . . A 49 THR H . 25987 1 515 . 1 . 1 49 49 THR HA H 1 4.006 0.020 . 1 . . . . A 49 THR HA . 25987 1 516 . 1 . 1 49 49 THR HB H 1 4.172 0.020 . 1 . . . . A 49 THR HB . 25987 1 517 . 1 . 1 49 49 THR HG21 H 1 0.988 0.020 . 1 . . . . A 49 THR HG21 . 25987 1 518 . 1 . 1 49 49 THR HG22 H 1 0.988 0.020 . 1 . . . . A 49 THR HG22 . 25987 1 519 . 1 . 1 49 49 THR HG23 H 1 0.988 0.020 . 1 . . . . A 49 THR HG23 . 25987 1 520 . 1 . 1 49 49 THR CA C 13 62.188 0.400 . 1 . . . . A 49 THR CA . 25987 1 521 . 1 . 1 49 49 THR CB C 13 70.555 0.400 . 1 . . . . A 49 THR CB . 25987 1 522 . 1 . 1 49 49 THR CG2 C 13 23.725 0.400 . 1 . . . . A 49 THR CG2 . 25987 1 523 . 1 . 1 49 49 THR N N 15 111.544 0.400 . 1 . . . . A 49 THR N . 25987 1 524 . 1 . 1 50 50 SER H H 1 8.634 0.020 . 1 . . . . A 50 SER H . 25987 1 525 . 1 . 1 50 50 SER HA H 1 4.737 0.020 . 1 . . . . A 50 SER HA . 25987 1 526 . 1 . 1 50 50 SER HB2 H 1 4.462 0.020 . 2 . . . . A 50 SER HB2 . 25987 1 527 . 1 . 1 50 50 SER HB3 H 1 4.195 0.020 . 2 . . . . A 50 SER HB3 . 25987 1 528 . 1 . 1 50 50 SER CA C 13 57.222 0.400 . 1 . . . . A 50 SER CA . 25987 1 529 . 1 . 1 50 50 SER CB C 13 65.692 0.400 . 1 . . . . A 50 SER CB . 25987 1 530 . 1 . 1 50 50 SER N N 15 118.267 0.400 . 1 . . . . A 50 SER N . 25987 1 531 . 1 . 1 51 51 GLU H H 1 9.173 0.020 . 1 . . . . A 51 GLU H . 25987 1 532 . 1 . 1 51 51 GLU HA H 1 4.103 0.020 . 1 . . . . A 51 GLU HA . 25987 1 533 . 1 . 1 51 51 GLU HB2 H 1 2.140 0.020 . 1 . . . . A 51 GLU HB2 . 25987 1 534 . 1 . 1 51 51 GLU HB3 H 1 2.140 0.020 . 1 . . . . A 51 GLU HB3 . 25987 1 535 . 1 . 1 51 51 GLU HG2 H 1 2.395 0.020 . 1 . . . . A 51 GLU HG2 . 25987 1 536 . 1 . 1 51 51 GLU HG3 H 1 2.395 0.020 . 1 . . . . A 51 GLU HG3 . 25987 1 537 . 1 . 1 51 51 GLU CA C 13 59.301 0.400 . 1 . . . . A 51 GLU CA . 25987 1 538 . 1 . 1 51 51 GLU CB C 13 29.134 0.400 . 1 . . . . A 51 GLU CB . 25987 1 539 . 1 . 1 51 51 GLU CG C 13 36.456 0.400 . 1 . . . . A 51 GLU CG . 25987 1 540 . 1 . 1 51 51 GLU N N 15 118.855 0.400 . 1 . . . . A 51 GLU N . 25987 1 541 . 1 . 1 52 52 SER H H 1 8.168 0.020 . 1 . . . . A 52 SER H . 25987 1 542 . 1 . 1 52 52 SER HA H 1 4.484 0.020 . 1 . . . . A 52 SER HA . 25987 1 543 . 1 . 1 52 52 SER HB2 H 1 3.837 0.020 . 2 . . . . A 52 SER HB2 . 25987 1 544 . 1 . 1 52 52 SER HB3 H 1 4.048 0.020 . 2 . . . . A 52 SER HB3 . 25987 1 545 . 1 . 1 52 52 SER CA C 13 57.737 0.400 . 1 . . . . A 52 SER CA . 25987 1 546 . 1 . 1 52 52 SER CB C 13 64.030 0.400 . 1 . . . . A 52 SER CB . 25987 1 547 . 1 . 1 52 52 SER N N 15 111.794 0.400 . 1 . . . . A 52 SER N . 25987 1 548 . 1 . 1 53 53 GLY H H 1 8.572 0.020 . 1 . . . . A 53 GLY H . 25987 1 549 . 1 . 1 53 53 GLY HA2 H 1 4.172 0.020 . 2 . . . . A 53 GLY HA2 . 25987 1 550 . 1 . 1 53 53 GLY HA3 H 1 3.850 0.020 . 2 . . . . A 53 GLY HA3 . 25987 1 551 . 1 . 1 53 53 GLY CA C 13 45.609 0.400 . 1 . . . . A 53 GLY CA . 25987 1 552 . 1 . 1 53 53 GLY N N 15 111.637 0.400 . 1 . . . . A 53 GLY N . 25987 1 553 . 1 . 1 54 54 GLU H H 1 7.298 0.020 . 1 . . . . A 54 GLU H . 25987 1 554 . 1 . 1 54 54 GLU HA H 1 5.195 0.020 . 1 . . . . A 54 GLU HA . 25987 1 555 . 1 . 1 54 54 GLU HB2 H 1 1.842 0.020 . 2 . . . . A 54 GLU HB2 . 25987 1 556 . 1 . 1 54 54 GLU HB3 H 1 1.782 0.020 . 2 . . . . A 54 GLU HB3 . 25987 1 557 . 1 . 1 54 54 GLU CA C 13 54.638 0.400 . 1 . . . . A 54 GLU CA . 25987 1 558 . 1 . 1 54 54 GLU CB C 13 33.201 0.400 . 1 . . . . A 54 GLU CB . 25987 1 559 . 1 . 1 54 54 GLU N N 15 115.714 0.400 . 1 . . . . A 54 GLU N . 25987 1 560 . 1 . 1 55 55 LEU H H 1 8.647 0.020 . 1 . . . . A 55 LEU H . 25987 1 561 . 1 . 1 55 55 LEU HB2 H 1 1.624 0.020 . 2 . . . . A 55 LEU HB2 . 25987 1 562 . 1 . 1 55 55 LEU HB3 H 1 1.006 0.020 . 2 . . . . A 55 LEU HB3 . 25987 1 563 . 1 . 1 55 55 LEU HG H 1 1.332 0.020 . 1 . . . . A 55 LEU HG . 25987 1 564 . 1 . 1 55 55 LEU HD11 H 1 0.532 0.020 . 2 . . . . A 55 LEU HD11 . 25987 1 565 . 1 . 1 55 55 LEU HD12 H 1 0.532 0.020 . 2 . . . . A 55 LEU HD12 . 25987 1 566 . 1 . 1 55 55 LEU HD13 H 1 0.532 0.020 . 2 . . . . A 55 LEU HD13 . 25987 1 567 . 1 . 1 55 55 LEU HD21 H 1 0.849 0.020 . 2 . . . . A 55 LEU HD21 . 25987 1 568 . 1 . 1 55 55 LEU HD22 H 1 0.849 0.020 . 2 . . . . A 55 LEU HD22 . 25987 1 569 . 1 . 1 55 55 LEU HD23 H 1 0.849 0.020 . 2 . . . . A 55 LEU HD23 . 25987 1 570 . 1 . 1 55 55 LEU CA C 13 54.395 0.400 . 1 . . . . A 55 LEU CA . 25987 1 571 . 1 . 1 55 55 LEU CB C 13 44.373 0.400 . 1 . . . . A 55 LEU CB . 25987 1 572 . 1 . 1 55 55 LEU CG C 13 27.177 0.400 . 1 . . . . A 55 LEU CG . 25987 1 573 . 1 . 1 55 55 LEU CD1 C 13 26.758 0.400 . 1 . . . . A 55 LEU CD1 . 25987 1 574 . 1 . 1 55 55 LEU CD2 C 13 22.971 0.400 . 1 . . . . A 55 LEU CD2 . 25987 1 575 . 1 . 1 55 55 LEU N N 15 122.971 0.400 . 1 . . . . A 55 LEU N . 25987 1 576 . 1 . 1 56 56 HIS HA H 1 4.960 0.020 . 1 . . . . A 56 HIS HA . 25987 1 577 . 1 . 1 56 56 HIS HB2 H 1 3.241 0.020 . 2 . . . . A 56 HIS HB2 . 25987 1 578 . 1 . 1 56 56 HIS HB3 H 1 3.003 0.020 . 2 . . . . A 56 HIS HB3 . 25987 1 579 . 1 . 1 56 56 HIS HD2 H 1 6.997 0.020 . 1 . . . . A 56 HIS HD2 . 25987 1 580 . 1 . 1 56 56 HIS CA C 13 55.532 0.400 . 1 . . . . A 56 HIS CA . 25987 1 581 . 1 . 1 56 56 HIS CB C 13 32.570 0.400 . 1 . . . . A 56 HIS CB . 25987 1 582 . 1 . 1 56 56 HIS CD2 C 13 118.400 0.400 . 1 . . . . A 56 HIS CD2 . 25987 1 583 . 1 . 1 57 57 GLY H H 1 8.263 0.020 . 1 . . . . A 57 GLY H . 25987 1 584 . 1 . 1 57 57 GLY HA2 H 1 4.092 0.020 . 2 . . . . A 57 GLY HA2 . 25987 1 585 . 1 . 1 57 57 GLY HA3 H 1 3.914 0.020 . 2 . . . . A 57 GLY HA3 . 25987 1 586 . 1 . 1 57 57 GLY CA C 13 46.810 0.400 . 1 . . . . A 57 GLY CA . 25987 1 587 . 1 . 1 57 57 GLY N N 15 108.292 0.400 . 1 . . . . A 57 GLY N . 25987 1 588 . 1 . 1 58 58 LEU H H 1 8.391 0.020 . 1 . . . . A 58 LEU H . 25987 1 589 . 1 . 1 58 58 LEU HA H 1 3.950 0.020 . 1 . . . . A 58 LEU HA . 25987 1 590 . 1 . 1 58 58 LEU HB2 H 1 1.057 0.020 . 2 . . . . A 58 LEU HB2 . 25987 1 591 . 1 . 1 58 58 LEU HB3 H 1 1.507 0.020 . 2 . . . . A 58 LEU HB3 . 25987 1 592 . 1 . 1 58 58 LEU HG H 1 1.360 0.020 . 1 . . . . A 58 LEU HG . 25987 1 593 . 1 . 1 58 58 LEU HD11 H 1 0.589 0.020 . 2 . . . . A 58 LEU HD11 . 25987 1 594 . 1 . 1 58 58 LEU HD12 H 1 0.589 0.020 . 2 . . . . A 58 LEU HD12 . 25987 1 595 . 1 . 1 58 58 LEU HD13 H 1 0.589 0.020 . 2 . . . . A 58 LEU HD13 . 25987 1 596 . 1 . 1 58 58 LEU HD21 H 1 0.551 0.020 . 2 . . . . A 58 LEU HD21 . 25987 1 597 . 1 . 1 58 58 LEU HD22 H 1 0.551 0.020 . 2 . . . . A 58 LEU HD22 . 25987 1 598 . 1 . 1 58 58 LEU HD23 H 1 0.551 0.020 . 2 . . . . A 58 LEU HD23 . 25987 1 599 . 1 . 1 58 58 LEU CA C 13 57.454 0.400 . 1 . . . . A 58 LEU CA . 25987 1 600 . 1 . 1 58 58 LEU CB C 13 43.748 0.400 . 1 . . . . A 58 LEU CB . 25987 1 601 . 1 . 1 58 58 LEU CG C 13 27.281 0.400 . 1 . . . . A 58 LEU CG . 25987 1 602 . 1 . 1 58 58 LEU CD1 C 13 23.406 0.400 . 1 . . . . A 58 LEU CD1 . 25987 1 603 . 1 . 1 58 58 LEU CD2 C 13 25.100 0.400 . 1 . . . . A 58 LEU CD2 . 25987 1 604 . 1 . 1 58 58 LEU N N 15 119.766 0.400 . 1 . . . . A 58 LEU N . 25987 1 605 . 1 . 1 59 59 THR H H 1 7.357 0.020 . 1 . . . . A 59 THR H . 25987 1 606 . 1 . 1 59 59 THR HA H 1 4.667 0.020 . 1 . . . . A 59 THR HA . 25987 1 607 . 1 . 1 59 59 THR HB H 1 3.902 0.020 . 1 . . . . A 59 THR HB . 25987 1 608 . 1 . 1 59 59 THR HG21 H 1 0.811 0.020 . 1 . . . . A 59 THR HG21 . 25987 1 609 . 1 . 1 59 59 THR HG22 H 1 0.811 0.020 . 1 . . . . A 59 THR HG22 . 25987 1 610 . 1 . 1 59 59 THR HG23 H 1 0.811 0.020 . 1 . . . . A 59 THR HG23 . 25987 1 611 . 1 . 1 59 59 THR CA C 13 59.553 0.400 . 1 . . . . A 59 THR CA . 25987 1 612 . 1 . 1 59 59 THR CB C 13 68.431 0.400 . 1 . . . . A 59 THR CB . 25987 1 613 . 1 . 1 59 59 THR N N 15 108.077 0.400 . 1 . . . . A 59 THR N . 25987 1 614 . 1 . 1 60 60 THR H H 1 8.565 0.020 . 1 . . . . A 60 THR H . 25987 1 615 . 1 . 1 60 60 THR HA H 1 4.919 0.020 . 1 . . . . A 60 THR HA . 25987 1 616 . 1 . 1 60 60 THR HB H 1 4.624 0.020 . 1 . . . . A 60 THR HB . 25987 1 617 . 1 . 1 60 60 THR HG21 H 1 1.238 0.020 . 1 . . . . A 60 THR HG21 . 25987 1 618 . 1 . 1 60 60 THR HG22 H 1 1.238 0.020 . 1 . . . . A 60 THR HG22 . 25987 1 619 . 1 . 1 60 60 THR HG23 H 1 1.238 0.020 . 1 . . . . A 60 THR HG23 . 25987 1 620 . 1 . 1 60 60 THR CA C 13 59.508 0.400 . 1 . . . . A 60 THR CA . 25987 1 621 . 1 . 1 60 60 THR CB C 13 72.585 0.400 . 1 . . . . A 60 THR CB . 25987 1 622 . 1 . 1 60 60 THR CG2 C 13 21.676 0.400 . 1 . . . . A 60 THR CG2 . 25987 1 623 . 1 . 1 60 60 THR N N 15 111.725 0.400 . 1 . . . . A 60 THR N . 25987 1 624 . 1 . 1 61 61 GLU H H 1 9.115 0.020 . 1 . . . . A 61 GLU H . 25987 1 625 . 1 . 1 61 61 GLU HA H 1 4.103 0.020 . 1 . . . . A 61 GLU HA . 25987 1 626 . 1 . 1 61 61 GLU HB2 H 1 2.127 0.020 . 1 . . . . A 61 GLU HB2 . 25987 1 627 . 1 . 1 61 61 GLU HB3 H 1 2.127 0.020 . 1 . . . . A 61 GLU HB3 . 25987 1 628 . 1 . 1 61 61 GLU CA C 13 60.072 0.400 . 1 . . . . A 61 GLU CA . 25987 1 629 . 1 . 1 61 61 GLU CB C 13 29.968 0.400 . 1 . . . . A 61 GLU CB . 25987 1 630 . 1 . 1 61 61 GLU N N 15 120.990 0.400 . 1 . . . . A 61 GLU N . 25987 1 631 . 1 . 1 62 62 GLU H H 1 8.760 0.020 . 1 . . . . A 62 GLU H . 25987 1 632 . 1 . 1 62 62 GLU HA H 1 4.054 0.020 . 1 . . . . A 62 GLU HA . 25987 1 633 . 1 . 1 62 62 GLU HB2 H 1 2.080 0.020 . 2 . . . . A 62 GLU HB2 . 25987 1 634 . 1 . 1 62 62 GLU HB3 H 1 1.984 0.020 . 2 . . . . A 62 GLU HB3 . 25987 1 635 . 1 . 1 62 62 GLU HG2 H 1 2.302 0.020 . 2 . . . . A 62 GLU HG2 . 25987 1 636 . 1 . 1 62 62 GLU HG3 H 1 2.417 0.020 . 2 . . . . A 62 GLU HG3 . 25987 1 637 . 1 . 1 62 62 GLU CA C 13 59.416 0.400 . 1 . . . . A 62 GLU CA . 25987 1 638 . 1 . 1 62 62 GLU CB C 13 29.511 0.400 . 1 . . . . A 62 GLU CB . 25987 1 639 . 1 . 1 62 62 GLU CG C 13 36.962 0.400 . 1 . . . . A 62 GLU CG . 25987 1 640 . 1 . 1 62 62 GLU N N 15 116.308 0.400 . 1 . . . . A 62 GLU N . 25987 1 641 . 1 . 1 63 63 GLU H H 1 7.395 0.020 . 1 . . . . A 63 GLU H . 25987 1 642 . 1 . 1 63 63 GLU HA H 1 4.349 0.020 . 1 . . . . A 63 GLU HA . 25987 1 643 . 1 . 1 63 63 GLU HB2 H 1 2.295 0.020 . 2 . . . . A 63 GLU HB2 . 25987 1 644 . 1 . 1 63 63 GLU HB3 H 1 2.117 0.020 . 2 . . . . A 63 GLU HB3 . 25987 1 645 . 1 . 1 63 63 GLU HG2 H 1 2.284 0.020 . 1 . . . . A 63 GLU HG2 . 25987 1 646 . 1 . 1 63 63 GLU HG3 H 1 2.284 0.020 . 1 . . . . A 63 GLU HG3 . 25987 1 647 . 1 . 1 63 63 GLU CA C 13 57.201 0.400 . 1 . . . . A 63 GLU CA . 25987 1 648 . 1 . 1 63 63 GLU CB C 13 31.434 0.400 . 1 . . . . A 63 GLU CB . 25987 1 649 . 1 . 1 63 63 GLU CG C 13 37.424 0.400 . 1 . . . . A 63 GLU CG . 25987 1 650 . 1 . 1 63 63 GLU N N 15 115.675 0.400 . 1 . . . . A 63 GLU N . 25987 1 651 . 1 . 1 64 64 PHE H H 1 7.941 0.020 . 1 . . . . A 64 PHE H . 25987 1 652 . 1 . 1 64 64 PHE HA H 1 5.084 0.020 . 1 . . . . A 64 PHE HA . 25987 1 653 . 1 . 1 64 64 PHE HB2 H 1 3.283 0.020 . 1 . . . . A 64 PHE HB2 . 25987 1 654 . 1 . 1 64 64 PHE HB3 H 1 3.283 0.020 . 1 . . . . A 64 PHE HB3 . 25987 1 655 . 1 . 1 64 64 PHE HD1 H 1 7.062 0.020 . 1 . . . . A 64 PHE HD1 . 25987 1 656 . 1 . 1 64 64 PHE HD2 H 1 7.062 0.020 . 1 . . . . A 64 PHE HD2 . 25987 1 657 . 1 . 1 64 64 PHE HE1 H 1 6.339 0.020 . 1 . . . . A 64 PHE HE1 . 25987 1 658 . 1 . 1 64 64 PHE HE2 H 1 6.339 0.020 . 1 . . . . A 64 PHE HE2 . 25987 1 659 . 1 . 1 64 64 PHE CA C 13 55.702 0.400 . 1 . . . . A 64 PHE CA . 25987 1 660 . 1 . 1 64 64 PHE CB C 13 37.558 0.400 . 1 . . . . A 64 PHE CB . 25987 1 661 . 1 . 1 64 64 PHE CD2 C 13 131.027 0.400 . 1 . . . . A 64 PHE CD2 . 25987 1 662 . 1 . 1 64 64 PHE CE2 C 13 130.681 0.400 . 1 . . . . A 64 PHE CE2 . 25987 1 663 . 1 . 1 64 64 PHE N N 15 123.522 0.400 . 1 . . . . A 64 PHE N . 25987 1 664 . 1 . 1 65 65 VAL H H 1 7.207 0.020 . 1 . . . . A 65 VAL H . 25987 1 665 . 1 . 1 65 65 VAL HA H 1 4.261 0.020 . 1 . . . . A 65 VAL HA . 25987 1 666 . 1 . 1 65 65 VAL HB H 1 2.380 0.020 . 1 . . . . A 65 VAL HB . 25987 1 667 . 1 . 1 65 65 VAL HG11 H 1 1.015 0.020 . 2 . . . . A 65 VAL HG11 . 25987 1 668 . 1 . 1 65 65 VAL HG12 H 1 1.015 0.020 . 2 . . . . A 65 VAL HG12 . 25987 1 669 . 1 . 1 65 65 VAL HG13 H 1 1.015 0.020 . 2 . . . . A 65 VAL HG13 . 25987 1 670 . 1 . 1 65 65 VAL HG21 H 1 0.854 0.020 . 2 . . . . A 65 VAL HG21 . 25987 1 671 . 1 . 1 65 65 VAL HG22 H 1 0.854 0.020 . 2 . . . . A 65 VAL HG22 . 25987 1 672 . 1 . 1 65 65 VAL HG23 H 1 0.854 0.020 . 2 . . . . A 65 VAL HG23 . 25987 1 673 . 1 . 1 65 65 VAL CA C 13 60.290 0.400 . 1 . . . . A 65 VAL CA . 25987 1 674 . 1 . 1 65 65 VAL CB C 13 33.293 0.400 . 1 . . . . A 65 VAL CB . 25987 1 675 . 1 . 1 65 65 VAL CG1 C 13 21.831 0.400 . 1 . . . . A 65 VAL CG1 . 25987 1 676 . 1 . 1 65 65 VAL CG2 C 13 17.863 0.400 . 1 . . . . A 65 VAL CG2 . 25987 1 677 . 1 . 1 65 65 VAL N N 15 116.073 0.400 . 1 . . . . A 65 VAL N . 25987 1 678 . 1 . 1 66 66 GLU H H 1 8.665 0.020 . 1 . . . . A 66 GLU H . 25987 1 679 . 1 . 1 66 66 GLU HA H 1 4.235 0.020 . 1 . . . . A 66 GLU HA . 25987 1 680 . 1 . 1 66 66 GLU HB2 H 1 2.017 0.020 . 2 . . . . A 66 GLU HB2 . 25987 1 681 . 1 . 1 66 66 GLU HB3 H 1 1.893 0.020 . 2 . . . . A 66 GLU HB3 . 25987 1 682 . 1 . 1 66 66 GLU HG2 H 1 2.303 0.020 . 2 . . . . A 66 GLU HG2 . 25987 1 683 . 1 . 1 66 66 GLU HG3 H 1 2.142 0.020 . 2 . . . . A 66 GLU HG3 . 25987 1 684 . 1 . 1 66 66 GLU CA C 13 57.285 0.400 . 1 . . . . A 66 GLU CA . 25987 1 685 . 1 . 1 66 66 GLU CB C 13 29.552 0.400 . 1 . . . . A 66 GLU CB . 25987 1 686 . 1 . 1 66 66 GLU CG C 13 36.492 0.400 . 1 . . . . A 66 GLU CG . 25987 1 687 . 1 . 1 66 66 GLU N N 15 121.605 0.400 . 1 . . . . A 66 GLU N . 25987 1 688 . 1 . 1 67 67 GLY H H 1 8.054 0.020 . 1 . . . . A 67 GLY H . 25987 1 689 . 1 . 1 67 67 GLY HA2 H 1 3.749 0.020 . 2 . . . . A 67 GLY HA2 . 25987 1 690 . 1 . 1 67 67 GLY HA3 H 1 3.874 0.020 . 2 . . . . A 67 GLY HA3 . 25987 1 691 . 1 . 1 67 67 GLY CA C 13 45.069 0.400 . 1 . . . . A 67 GLY CA . 25987 1 692 . 1 . 1 67 67 GLY N N 15 110.872 0.400 . 1 . . . . A 67 GLY N . 25987 1 693 . 1 . 1 68 68 ILE H H 1 8.387 0.020 . 1 . . . . A 68 ILE H . 25987 1 694 . 1 . 1 68 68 ILE HA H 1 4.442 0.020 . 1 . . . . A 68 ILE HA . 25987 1 695 . 1 . 1 68 68 ILE HB H 1 1.348 0.020 . 1 . . . . A 68 ILE HB . 25987 1 696 . 1 . 1 68 68 ILE HG12 H 1 1.475 0.020 . 2 . . . . A 68 ILE HG12 . 25987 1 697 . 1 . 1 68 68 ILE HG13 H 1 1.033 0.020 . 2 . . . . A 68 ILE HG13 . 25987 1 698 . 1 . 1 68 68 ILE HG21 H 1 0.852 0.020 . 1 . . . . A 68 ILE HG21 . 25987 1 699 . 1 . 1 68 68 ILE HG22 H 1 0.852 0.020 . 1 . . . . A 68 ILE HG22 . 25987 1 700 . 1 . 1 68 68 ILE HG23 H 1 0.852 0.020 . 1 . . . . A 68 ILE HG23 . 25987 1 701 . 1 . 1 68 68 ILE HD11 H 1 0.734 0.020 . 1 . . . . A 68 ILE HD11 . 25987 1 702 . 1 . 1 68 68 ILE HD12 H 1 0.734 0.020 . 1 . . . . A 68 ILE HD12 . 25987 1 703 . 1 . 1 68 68 ILE HD13 H 1 0.734 0.020 . 1 . . . . A 68 ILE HD13 . 25987 1 704 . 1 . 1 68 68 ILE CA C 13 61.056 0.400 . 1 . . . . A 68 ILE CA . 25987 1 705 . 1 . 1 68 68 ILE CB C 13 39.139 0.400 . 1 . . . . A 68 ILE CB . 25987 1 706 . 1 . 1 68 68 ILE CG1 C 13 27.854 0.400 . 1 . . . . A 68 ILE CG1 . 25987 1 707 . 1 . 1 68 68 ILE CG2 C 13 18.437 0.400 . 1 . . . . A 68 ILE CG2 . 25987 1 708 . 1 . 1 68 68 ILE CD1 C 13 13.754 0.400 . 1 . . . . A 68 ILE CD1 . 25987 1 709 . 1 . 1 68 68 ILE N N 15 121.496 0.400 . 1 . . . . A 68 ILE N . 25987 1 710 . 1 . 1 69 69 TYR H H 1 8.802 0.020 . 1 . . . . A 69 TYR H . 25987 1 711 . 1 . 1 69 69 TYR HA H 1 5.336 0.020 . 1 . . . . A 69 TYR HA . 25987 1 712 . 1 . 1 69 69 TYR HB2 H 1 1.532 0.020 . 2 . . . . A 69 TYR HB2 . 25987 1 713 . 1 . 1 69 69 TYR HB3 H 1 2.275 0.020 . 2 . . . . A 69 TYR HB3 . 25987 1 714 . 1 . 1 69 69 TYR HD1 H 1 6.378 0.020 . 1 . . . . A 69 TYR HD1 . 25987 1 715 . 1 . 1 69 69 TYR HD2 H 1 6.378 0.020 . 1 . . . . A 69 TYR HD2 . 25987 1 716 . 1 . 1 69 69 TYR CA C 13 56.487 0.400 . 1 . . . . A 69 TYR CA . 25987 1 717 . 1 . 1 69 69 TYR CB C 13 42.561 0.400 . 1 . . . . A 69 TYR CB . 25987 1 718 . 1 . 1 69 69 TYR CD1 C 13 132.670 0.400 . 1 . . . . A 69 TYR CD1 . 25987 1 719 . 1 . 1 69 69 TYR N N 15 125.082 0.400 . 1 . . . . A 69 TYR N . 25987 1 720 . 1 . 1 70 70 LYS H H 1 8.738 0.020 . 1 . . . . A 70 LYS H . 25987 1 721 . 1 . 1 70 70 LYS HA H 1 5.316 0.020 . 1 . . . . A 70 LYS HA . 25987 1 722 . 1 . 1 70 70 LYS HB2 H 1 0.478 0.020 . 2 . . . . A 70 LYS HB2 . 25987 1 723 . 1 . 1 70 70 LYS HB3 H 1 0.681 0.020 . 2 . . . . A 70 LYS HB3 . 25987 1 724 . 1 . 1 70 70 LYS HG2 H 1 0.982 0.020 . 1 . . . . A 70 LYS HG2 . 25987 1 725 . 1 . 1 70 70 LYS HG3 H 1 0.982 0.020 . 1 . . . . A 70 LYS HG3 . 25987 1 726 . 1 . 1 70 70 LYS HD2 H 1 0.541 0.020 . 2 . . . . A 70 LYS HD2 . 25987 1 727 . 1 . 1 70 70 LYS HD3 H 1 0.774 0.020 . 2 . . . . A 70 LYS HD3 . 25987 1 728 . 1 . 1 70 70 LYS HE2 H 1 1.379 0.020 . 2 . . . . A 70 LYS HE2 . 25987 1 729 . 1 . 1 70 70 LYS HE3 H 1 1.023 0.020 . 2 . . . . A 70 LYS HE3 . 25987 1 730 . 1 . 1 70 70 LYS CA C 13 53.759 0.400 . 1 . . . . A 70 LYS CA . 25987 1 731 . 1 . 1 70 70 LYS CB C 13 35.549 0.400 . 1 . . . . A 70 LYS CB . 25987 1 732 . 1 . 1 70 70 LYS CG C 13 25.413 0.400 . 1 . . . . A 70 LYS CG . 25987 1 733 . 1 . 1 70 70 LYS CD C 13 28.396 0.400 . 1 . . . . A 70 LYS CD . 25987 1 734 . 1 . 1 70 70 LYS CE C 13 41.027 0.400 . 1 . . . . A 70 LYS CE . 25987 1 735 . 1 . 1 70 70 LYS N N 15 119.070 0.400 . 1 . . . . A 70 LYS N . 25987 1 736 . 1 . 1 71 71 VAL H H 1 9.089 0.020 . 1 . . . . A 71 VAL H . 25987 1 737 . 1 . 1 71 71 VAL HA H 1 4.826 0.020 . 1 . . . . A 71 VAL HA . 25987 1 738 . 1 . 1 71 71 VAL HB H 1 1.971 0.020 . 1 . . . . A 71 VAL HB . 25987 1 739 . 1 . 1 71 71 VAL HG11 H 1 0.726 0.020 . 2 . . . . A 71 VAL HG11 . 25987 1 740 . 1 . 1 71 71 VAL HG12 H 1 0.726 0.020 . 2 . . . . A 71 VAL HG12 . 25987 1 741 . 1 . 1 71 71 VAL HG13 H 1 0.726 0.020 . 2 . . . . A 71 VAL HG13 . 25987 1 742 . 1 . 1 71 71 VAL HG21 H 1 1.049 0.020 . 2 . . . . A 71 VAL HG21 . 25987 1 743 . 1 . 1 71 71 VAL HG22 H 1 1.049 0.020 . 2 . . . . A 71 VAL HG22 . 25987 1 744 . 1 . 1 71 71 VAL HG23 H 1 1.049 0.020 . 2 . . . . A 71 VAL HG23 . 25987 1 745 . 1 . 1 71 71 VAL CA C 13 61.357 0.400 . 1 . . . . A 71 VAL CA . 25987 1 746 . 1 . 1 71 71 VAL CB C 13 33.316 0.400 . 1 . . . . A 71 VAL CB . 25987 1 747 . 1 . 1 71 71 VAL CG1 C 13 21.360 0.400 . 1 . . . . A 71 VAL CG1 . 25987 1 748 . 1 . 1 71 71 VAL CG2 C 13 21.769 0.400 . 1 . . . . A 71 VAL CG2 . 25987 1 749 . 1 . 1 71 71 VAL N N 15 126.394 0.400 . 1 . . . . A 71 VAL N . 25987 1 750 . 1 . 1 72 72 GLU H H 1 9.590 0.020 . 1 . . . . A 72 GLU H . 25987 1 751 . 1 . 1 72 72 GLU HA H 1 5.309 0.020 . 1 . . . . A 72 GLU HA . 25987 1 752 . 1 . 1 72 72 GLU HB2 H 1 2.000 0.020 . 2 . . . . A 72 GLU HB2 . 25987 1 753 . 1 . 1 72 72 GLU HB3 H 1 2.259 0.020 . 2 . . . . A 72 GLU HB3 . 25987 1 754 . 1 . 1 72 72 GLU HG2 H 1 2.253 0.020 . 2 . . . . A 72 GLU HG2 . 25987 1 755 . 1 . 1 72 72 GLU HG3 H 1 2.163 0.020 . 2 . . . . A 72 GLU HG3 . 25987 1 756 . 1 . 1 72 72 GLU CA C 13 54.397 0.400 . 1 . . . . A 72 GLU CA . 25987 1 757 . 1 . 1 72 72 GLU CB C 13 34.226 0.400 . 1 . . . . A 72 GLU CB . 25987 1 758 . 1 . 1 72 72 GLU CG C 13 36.846 0.400 . 1 . . . . A 72 GLU CG . 25987 1 759 . 1 . 1 72 72 GLU N N 15 126.877 0.400 . 1 . . . . A 72 GLU N . 25987 1 760 . 1 . 1 73 73 ILE H H 1 9.001 0.020 . 1 . . . . A 73 ILE H . 25987 1 761 . 1 . 1 73 73 ILE HA H 1 4.901 0.020 . 1 . . . . A 73 ILE HA . 25987 1 762 . 1 . 1 73 73 ILE HB H 1 1.643 0.020 . 1 . . . . A 73 ILE HB . 25987 1 763 . 1 . 1 73 73 ILE HG12 H 1 1.375 0.020 . 2 . . . . A 73 ILE HG12 . 25987 1 764 . 1 . 1 73 73 ILE HG13 H 1 1.026 0.020 . 2 . . . . A 73 ILE HG13 . 25987 1 765 . 1 . 1 73 73 ILE HG21 H 1 0.623 0.020 . 1 . . . . A 73 ILE HG21 . 25987 1 766 . 1 . 1 73 73 ILE HG22 H 1 0.623 0.020 . 1 . . . . A 73 ILE HG22 . 25987 1 767 . 1 . 1 73 73 ILE HG23 H 1 0.623 0.020 . 1 . . . . A 73 ILE HG23 . 25987 1 768 . 1 . 1 73 73 ILE HD11 H 1 0.517 0.020 . 1 . . . . A 73 ILE HD11 . 25987 1 769 . 1 . 1 73 73 ILE HD12 H 1 0.517 0.020 . 1 . . . . A 73 ILE HD12 . 25987 1 770 . 1 . 1 73 73 ILE HD13 H 1 0.517 0.020 . 1 . . . . A 73 ILE HD13 . 25987 1 771 . 1 . 1 73 73 ILE CA C 13 59.450 0.400 . 1 . . . . A 73 ILE CA . 25987 1 772 . 1 . 1 73 73 ILE CB C 13 40.241 0.400 . 1 . . . . A 73 ILE CB . 25987 1 773 . 1 . 1 73 73 ILE CG1 C 13 27.252 0.400 . 1 . . . . A 73 ILE CG1 . 25987 1 774 . 1 . 1 73 73 ILE CG2 C 13 17.998 0.400 . 1 . . . . A 73 ILE CG2 . 25987 1 775 . 1 . 1 73 73 ILE CD1 C 13 13.483 0.400 . 1 . . . . A 73 ILE CD1 . 25987 1 776 . 1 . 1 73 73 ILE N N 15 121.544 0.400 . 1 . . . . A 73 ILE N . 25987 1 777 . 1 . 1 74 74 ASP H H 1 8.471 0.020 . 1 . . . . A 74 ASP H . 25987 1 778 . 1 . 1 74 74 ASP HA H 1 5.152 0.020 . 1 . . . . A 74 ASP HA . 25987 1 779 . 1 . 1 74 74 ASP HB2 H 1 3.182 0.020 . 2 . . . . A 74 ASP HB2 . 25987 1 780 . 1 . 1 74 74 ASP HB3 H 1 2.839 0.020 . 2 . . . . A 74 ASP HB3 . 25987 1 781 . 1 . 1 74 74 ASP CA C 13 53.193 0.400 . 1 . . . . A 74 ASP CA . 25987 1 782 . 1 . 1 74 74 ASP CB C 13 40.977 0.400 . 1 . . . . A 74 ASP CB . 25987 1 783 . 1 . 1 74 74 ASP N N 15 125.292 0.400 . 1 . . . . A 74 ASP N . 25987 1 784 . 1 . 1 75 75 THR H H 1 8.317 0.020 . 1 . . . . A 75 THR H . 25987 1 785 . 1 . 1 75 75 THR HA H 1 4.139 0.020 . 1 . . . . A 75 THR HA . 25987 1 786 . 1 . 1 75 75 THR HB H 1 4.540 0.020 . 1 . . . . A 75 THR HB . 25987 1 787 . 1 . 1 75 75 THR HG21 H 1 1.181 0.020 . 1 . . . . A 75 THR HG21 . 25987 1 788 . 1 . 1 75 75 THR HG22 H 1 1.181 0.020 . 1 . . . . A 75 THR HG22 . 25987 1 789 . 1 . 1 75 75 THR HG23 H 1 1.181 0.020 . 1 . . . . A 75 THR HG23 . 25987 1 790 . 1 . 1 75 75 THR CA C 13 63.134 0.400 . 1 . . . . A 75 THR CA . 25987 1 791 . 1 . 1 75 75 THR CB C 13 67.831 0.400 . 1 . . . . A 75 THR CB . 25987 1 792 . 1 . 1 75 75 THR CG2 C 13 23.892 0.400 . 1 . . . . A 75 THR CG2 . 25987 1 793 . 1 . 1 75 75 THR N N 15 116.795 0.400 . 1 . . . . A 75 THR N . 25987 1 794 . 1 . 1 76 76 LYS H H 1 8.355 0.020 . 1 . . . . A 76 LYS H . 25987 1 795 . 1 . 1 76 76 LYS HA H 1 4.114 0.020 . 1 . . . . A 76 LYS HA . 25987 1 796 . 1 . 1 76 76 LYS HB2 H 1 2.087 0.020 . 1 . . . . A 76 LYS HB2 . 25987 1 797 . 1 . 1 76 76 LYS HB3 H 1 2.087 0.020 . 1 . . . . A 76 LYS HB3 . 25987 1 798 . 1 . 1 76 76 LYS HG2 H 1 1.569 0.020 . 2 . . . . A 76 LYS HG2 . 25987 1 799 . 1 . 1 76 76 LYS HG3 H 1 1.475 0.020 . 2 . . . . A 76 LYS HG3 . 25987 1 800 . 1 . 1 76 76 LYS HD2 H 1 1.792 0.020 . 1 . . . . A 76 LYS HD2 . 25987 1 801 . 1 . 1 76 76 LYS HD3 H 1 1.792 0.020 . 1 . . . . A 76 LYS HD3 . 25987 1 802 . 1 . 1 76 76 LYS HE2 H 1 3.040 0.020 . 1 . . . . A 76 LYS HE2 . 25987 1 803 . 1 . 1 76 76 LYS HE3 H 1 3.040 0.020 . 1 . . . . A 76 LYS HE3 . 25987 1 804 . 1 . 1 76 76 LYS CA C 13 61.157 0.400 . 1 . . . . A 76 LYS CA . 25987 1 805 . 1 . 1 76 76 LYS CB C 13 32.660 0.400 . 1 . . . . A 76 LYS CB . 25987 1 806 . 1 . 1 76 76 LYS CG C 13 25.036 0.400 . 1 . . . . A 76 LYS CG . 25987 1 807 . 1 . 1 76 76 LYS CD C 13 29.506 0.400 . 1 . . . . A 76 LYS CD . 25987 1 808 . 1 . 1 76 76 LYS CE C 13 41.982 0.400 . 1 . . . . A 76 LYS CE . 25987 1 809 . 1 . 1 76 76 LYS N N 15 123.971 0.400 . 1 . . . . A 76 LYS N . 25987 1 810 . 1 . 1 77 77 SER H H 1 8.633 0.020 . 1 . . . . A 77 SER H . 25987 1 811 . 1 . 1 77 77 SER HA H 1 4.177 0.020 . 1 . . . . A 77 SER HA . 25987 1 812 . 1 . 1 77 77 SER HB2 H 1 3.898 0.020 . 1 . . . . A 77 SER HB2 . 25987 1 813 . 1 . 1 77 77 SER HB3 H 1 3.898 0.020 . 1 . . . . A 77 SER HB3 . 25987 1 814 . 1 . 1 77 77 SER CA C 13 61.853 0.400 . 1 . . . . A 77 SER CA . 25987 1 815 . 1 . 1 77 77 SER CB C 13 62.392 0.400 . 1 . . . . A 77 SER CB . 25987 1 816 . 1 . 1 77 77 SER N N 15 113.535 0.400 . 1 . . . . A 77 SER N . 25987 1 817 . 1 . 1 78 78 TYR H H 1 7.321 0.020 . 1 . . . . A 78 TYR H . 25987 1 818 . 1 . 1 78 78 TYR HA H 1 4.084 0.020 . 1 . . . . A 78 TYR HA . 25987 1 819 . 1 . 1 78 78 TYR HB2 H 1 2.383 0.020 . 2 . . . . A 78 TYR HB2 . 25987 1 820 . 1 . 1 78 78 TYR HB3 H 1 2.846 0.020 . 2 . . . . A 78 TYR HB3 . 25987 1 821 . 1 . 1 78 78 TYR HD1 H 1 5.802 0.020 . 1 . . . . A 78 TYR HD1 . 25987 1 822 . 1 . 1 78 78 TYR HD2 H 1 5.802 0.020 . 1 . . . . A 78 TYR HD2 . 25987 1 823 . 1 . 1 78 78 TYR HE1 H 1 5.802 0.020 . 1 . . . . A 78 TYR HE1 . 25987 1 824 . 1 . 1 78 78 TYR HE2 H 1 5.802 0.020 . 1 . . . . A 78 TYR HE2 . 25987 1 825 . 1 . 1 78 78 TYR CA C 13 61.048 0.400 . 1 . . . . A 78 TYR CA . 25987 1 826 . 1 . 1 78 78 TYR CB C 13 38.121 0.400 . 1 . . . . A 78 TYR CB . 25987 1 827 . 1 . 1 78 78 TYR N N 15 122.963 0.400 . 1 . . . . A 78 TYR N . 25987 1 828 . 1 . 1 79 79 TRP H H 1 7.862 0.020 . 1 . . . . A 79 TRP H . 25987 1 829 . 1 . 1 79 79 TRP HA H 1 4.407 0.020 . 1 . . . . A 79 TRP HA . 25987 1 830 . 1 . 1 79 79 TRP HB2 H 1 2.927 0.020 . 2 . . . . A 79 TRP HB2 . 25987 1 831 . 1 . 1 79 79 TRP HB3 H 1 3.444 0.020 . 2 . . . . A 79 TRP HB3 . 25987 1 832 . 1 . 1 79 79 TRP HD1 H 1 7.311 0.020 . 1 . . . . A 79 TRP HD1 . 25987 1 833 . 1 . 1 79 79 TRP HE1 H 1 9.708 0.020 . 1 . . . . A 79 TRP HE1 . 25987 1 834 . 1 . 1 79 79 TRP HE3 H 1 7.425 0.020 . 1 . . . . A 79 TRP HE3 . 25987 1 835 . 1 . 1 79 79 TRP HZ2 H 1 7.001 0.020 . 1 . . . . A 79 TRP HZ2 . 25987 1 836 . 1 . 1 79 79 TRP HZ3 H 1 7.162 0.020 . 1 . . . . A 79 TRP HZ3 . 25987 1 837 . 1 . 1 79 79 TRP HH2 H 1 7.323 0.020 . 1 . . . . A 79 TRP HH2 . 25987 1 838 . 1 . 1 79 79 TRP CA C 13 59.092 0.400 . 1 . . . . A 79 TRP CA . 25987 1 839 . 1 . 1 79 79 TRP CB C 13 29.376 0.400 . 1 . . . . A 79 TRP CB . 25987 1 840 . 1 . 1 79 79 TRP CD1 C 13 129.158 0.400 . 1 . . . . A 79 TRP CD1 . 25987 1 841 . 1 . 1 79 79 TRP CE3 C 13 122.126 0.400 . 1 . . . . A 79 TRP CE3 . 25987 1 842 . 1 . 1 79 79 TRP CZ2 C 13 113.561 0.400 . 1 . . . . A 79 TRP CZ2 . 25987 1 843 . 1 . 1 79 79 TRP CZ3 C 13 122.451 0.400 . 1 . . . . A 79 TRP CZ3 . 25987 1 844 . 1 . 1 79 79 TRP CH2 C 13 125.296 0.400 . 1 . . . . A 79 TRP CH2 . 25987 1 845 . 1 . 1 79 79 TRP N N 15 116.750 0.400 . 1 . . . . A 79 TRP N . 25987 1 846 . 1 . 1 79 79 TRP NE1 N 15 125.554 0.400 . 1 . . . . A 79 TRP NE1 . 25987 1 847 . 1 . 1 80 80 LYS H H 1 8.471 0.020 . 1 . . . . A 80 LYS H . 25987 1 848 . 1 . 1 80 80 LYS HA H 1 4.225 0.020 . 1 . . . . A 80 LYS HA . 25987 1 849 . 1 . 1 80 80 LYS HB2 H 1 2.044 0.020 . 2 . . . . A 80 LYS HB2 . 25987 1 850 . 1 . 1 80 80 LYS HB3 H 1 1.872 0.020 . 2 . . . . A 80 LYS HB3 . 25987 1 851 . 1 . 1 80 80 LYS HG2 H 1 1.590 0.020 . 2 . . . . A 80 LYS HG2 . 25987 1 852 . 1 . 1 80 80 LYS HG3 H 1 1.536 0.020 . 2 . . . . A 80 LYS HG3 . 25987 1 853 . 1 . 1 80 80 LYS HD2 H 1 1.730 0.020 . 1 . . . . A 80 LYS HD2 . 25987 1 854 . 1 . 1 80 80 LYS HD3 H 1 1.730 0.020 . 1 . . . . A 80 LYS HD3 . 25987 1 855 . 1 . 1 80 80 LYS HE2 H 1 3.004 0.020 . 1 . . . . A 80 LYS HE2 . 25987 1 856 . 1 . 1 80 80 LYS HE3 H 1 3.004 0.020 . 1 . . . . A 80 LYS HE3 . 25987 1 857 . 1 . 1 80 80 LYS CA C 13 59.591 0.400 . 1 . . . . A 80 LYS CA . 25987 1 858 . 1 . 1 80 80 LYS CB C 13 31.975 0.400 . 1 . . . . A 80 LYS CB . 25987 1 859 . 1 . 1 80 80 LYS CG C 13 25.102 0.400 . 1 . . . . A 80 LYS CG . 25987 1 860 . 1 . 1 80 80 LYS CD C 13 29.219 0.400 . 1 . . . . A 80 LYS CD . 25987 1 861 . 1 . 1 80 80 LYS CE C 13 42.085 0.400 . 1 . . . . A 80 LYS CE . 25987 1 862 . 1 . 1 80 80 LYS N N 15 119.582 0.400 . 1 . . . . A 80 LYS N . 25987 1 863 . 1 . 1 81 81 ALA H H 1 7.403 0.020 . 1 . . . . A 81 ALA H . 25987 1 864 . 1 . 1 81 81 ALA HA H 1 4.188 0.020 . 1 . . . . A 81 ALA HA . 25987 1 865 . 1 . 1 81 81 ALA HB1 H 1 1.461 0.020 . 1 . . . . A 81 ALA HB1 . 25987 1 866 . 1 . 1 81 81 ALA HB2 H 1 1.461 0.020 . 1 . . . . A 81 ALA HB2 . 25987 1 867 . 1 . 1 81 81 ALA HB3 H 1 1.461 0.020 . 1 . . . . A 81 ALA HB3 . 25987 1 868 . 1 . 1 81 81 ALA CA C 13 54.497 0.400 . 1 . . . . A 81 ALA CA . 25987 1 869 . 1 . 1 81 81 ALA CB C 13 17.956 0.400 . 1 . . . . A 81 ALA CB . 25987 1 870 . 1 . 1 81 81 ALA N N 15 121.444 0.400 . 1 . . . . A 81 ALA N . 25987 1 871 . 1 . 1 82 82 LEU H H 1 7.249 0.020 . 1 . . . . A 82 LEU H . 25987 1 872 . 1 . 1 82 82 LEU HA H 1 4.373 0.020 . 1 . . . . A 82 LEU HA . 25987 1 873 . 1 . 1 82 82 LEU HB2 H 1 1.811 0.020 . 2 . . . . A 82 LEU HB2 . 25987 1 874 . 1 . 1 82 82 LEU HB3 H 1 1.782 0.020 . 2 . . . . A 82 LEU HB3 . 25987 1 875 . 1 . 1 82 82 LEU HG H 1 1.402 0.020 . 1 . . . . A 82 LEU HG . 25987 1 876 . 1 . 1 82 82 LEU HD11 H 1 0.743 0.020 . 2 . . . . A 82 LEU HD11 . 25987 1 877 . 1 . 1 82 82 LEU HD12 H 1 0.743 0.020 . 2 . . . . A 82 LEU HD12 . 25987 1 878 . 1 . 1 82 82 LEU HD13 H 1 0.743 0.020 . 2 . . . . A 82 LEU HD13 . 25987 1 879 . 1 . 1 82 82 LEU HD21 H 1 0.511 0.020 . 2 . . . . A 82 LEU HD21 . 25987 1 880 . 1 . 1 82 82 LEU HD22 H 1 0.511 0.020 . 2 . . . . A 82 LEU HD22 . 25987 1 881 . 1 . 1 82 82 LEU HD23 H 1 0.511 0.020 . 2 . . . . A 82 LEU HD23 . 25987 1 882 . 1 . 1 82 82 LEU CA C 13 54.564 0.400 . 1 . . . . A 82 LEU CA . 25987 1 883 . 1 . 1 82 82 LEU CB C 13 42.998 0.400 . 1 . . . . A 82 LEU CB . 25987 1 884 . 1 . 1 82 82 LEU CG C 13 27.047 0.400 . 1 . . . . A 82 LEU CG . 25987 1 885 . 1 . 1 82 82 LEU CD1 C 13 22.724 0.400 . 1 . . . . A 82 LEU CD1 . 25987 1 886 . 1 . 1 82 82 LEU CD2 C 13 25.427 0.400 . 1 . . . . A 82 LEU CD2 . 25987 1 887 . 1 . 1 82 82 LEU N N 15 117.234 0.400 . 1 . . . . A 82 LEU N . 25987 1 888 . 1 . 1 83 83 GLY H H 1 7.974 0.020 . 1 . . . . A 83 GLY H . 25987 1 889 . 1 . 1 83 83 GLY HA2 H 1 3.839 0.020 . 2 . . . . A 83 GLY HA2 . 25987 1 890 . 1 . 1 83 83 GLY HA3 H 1 4.115 0.020 . 2 . . . . A 83 GLY HA3 . 25987 1 891 . 1 . 1 83 83 GLY CA C 13 45.908 0.400 . 1 . . . . A 83 GLY CA . 25987 1 892 . 1 . 1 83 83 GLY N N 15 107.999 0.400 . 1 . . . . A 83 GLY N . 25987 1 893 . 1 . 1 84 84 ILE H H 1 7.850 0.020 . 1 . . . . A 84 ILE H . 25987 1 894 . 1 . 1 84 84 ILE HA H 1 4.212 0.020 . 1 . . . . A 84 ILE HA . 25987 1 895 . 1 . 1 84 84 ILE HB H 1 1.796 0.020 . 1 . . . . A 84 ILE HB . 25987 1 896 . 1 . 1 84 84 ILE HG12 H 1 1.486 0.020 . 2 . . . . A 84 ILE HG12 . 25987 1 897 . 1 . 1 84 84 ILE HG13 H 1 1.057 0.020 . 2 . . . . A 84 ILE HG13 . 25987 1 898 . 1 . 1 84 84 ILE HG21 H 1 0.400 0.020 . 1 . . . . A 84 ILE HG21 . 25987 1 899 . 1 . 1 84 84 ILE HG22 H 1 0.400 0.020 . 1 . . . . A 84 ILE HG22 . 25987 1 900 . 1 . 1 84 84 ILE HG23 H 1 0.400 0.020 . 1 . . . . A 84 ILE HG23 . 25987 1 901 . 1 . 1 84 84 ILE HD11 H 1 0.872 0.020 . 1 . . . . A 84 ILE HD11 . 25987 1 902 . 1 . 1 84 84 ILE HD12 H 1 0.872 0.020 . 1 . . . . A 84 ILE HD12 . 25987 1 903 . 1 . 1 84 84 ILE HD13 H 1 0.872 0.020 . 1 . . . . A 84 ILE HD13 . 25987 1 904 . 1 . 1 84 84 ILE CA C 13 59.764 0.400 . 1 . . . . A 84 ILE CA . 25987 1 905 . 1 . 1 84 84 ILE CB C 13 41.625 0.400 . 1 . . . . A 84 ILE CB . 25987 1 906 . 1 . 1 84 84 ILE CG1 C 13 27.879 0.400 . 1 . . . . A 84 ILE CG1 . 25987 1 907 . 1 . 1 84 84 ILE CG2 C 13 16.708 0.400 . 1 . . . . A 84 ILE CG2 . 25987 1 908 . 1 . 1 84 84 ILE CD1 C 13 13.528 0.400 . 1 . . . . A 84 ILE CD1 . 25987 1 909 . 1 . 1 84 84 ILE N N 15 121.903 0.400 . 1 . . . . A 84 ILE N . 25987 1 910 . 1 . 1 85 85 SER H H 1 8.524 0.020 . 1 . . . . A 85 SER H . 25987 1 911 . 1 . 1 85 85 SER HA H 1 4.203 0.020 . 1 . . . . A 85 SER HA . 25987 1 912 . 1 . 1 85 85 SER HB2 H 1 3.886 0.020 . 2 . . . . A 85 SER HB2 . 25987 1 913 . 1 . 1 85 85 SER HB3 H 1 3.736 0.020 . 2 . . . . A 85 SER HB3 . 25987 1 914 . 1 . 1 85 85 SER CA C 13 60.490 0.400 . 1 . . . . A 85 SER CA . 25987 1 915 . 1 . 1 85 85 SER CB C 13 62.948 0.400 . 1 . . . . A 85 SER CB . 25987 1 916 . 1 . 1 85 85 SER N N 15 122.858 0.400 . 1 . . . . A 85 SER N . 25987 1 917 . 1 . 1 86 86 PRO CA C 13 61.774 0.400 . 1 . . . . A 86 PRO CA . 25987 1 918 . 1 . 1 86 86 PRO CB C 13 32.561 0.400 . 1 . . . . A 86 PRO CB . 25987 1 919 . 1 . 1 87 87 MET H H 1 7.880 0.020 . 1 . . . . A 87 MET H . 25987 1 920 . 1 . 1 87 87 MET HA H 1 4.086 0.020 . 1 . . . . A 87 MET HA . 25987 1 921 . 1 . 1 87 87 MET HB2 H 1 1.811 0.020 . 2 . . . . A 87 MET HB2 . 25987 1 922 . 1 . 1 87 87 MET HB3 H 1 1.547 0.020 . 2 . . . . A 87 MET HB3 . 25987 1 923 . 1 . 1 87 87 MET HG2 H 1 2.321 0.020 . 2 . . . . A 87 MET HG2 . 25987 1 924 . 1 . 1 87 87 MET HG3 H 1 2.123 0.020 . 2 . . . . A 87 MET HG3 . 25987 1 925 . 1 . 1 87 87 MET HE1 H 1 1.956 0.020 . 1 . . . . A 87 MET HE1 . 25987 1 926 . 1 . 1 87 87 MET HE2 H 1 1.956 0.020 . 1 . . . . A 87 MET HE2 . 25987 1 927 . 1 . 1 87 87 MET HE3 H 1 1.956 0.020 . 1 . . . . A 87 MET HE3 . 25987 1 928 . 1 . 1 87 87 MET CA C 13 57.342 0.400 . 1 . . . . A 87 MET CA . 25987 1 929 . 1 . 1 87 87 MET CB C 13 32.942 0.400 . 1 . . . . A 87 MET CB . 25987 1 930 . 1 . 1 87 87 MET CG C 13 32.014 0.400 . 1 . . . . A 87 MET CG . 25987 1 931 . 1 . 1 87 87 MET CE C 13 17.196 0.400 . 1 . . . . A 87 MET CE . 25987 1 932 . 1 . 1 87 87 MET N N 15 119.221 0.400 . 1 . . . . A 87 MET N . 25987 1 933 . 1 . 1 88 88 HIS H H 1 8.106 0.020 . 1 . . . . A 88 HIS H . 25987 1 934 . 1 . 1 88 88 HIS HA H 1 4.882 0.020 . 1 . . . . A 88 HIS HA . 25987 1 935 . 1 . 1 88 88 HIS HB2 H 1 3.252 0.020 . 2 . . . . A 88 HIS HB2 . 25987 1 936 . 1 . 1 88 88 HIS HB3 H 1 2.959 0.020 . 2 . . . . A 88 HIS HB3 . 25987 1 937 . 1 . 1 88 88 HIS CA C 13 54.855 0.400 . 1 . . . . A 88 HIS CA . 25987 1 938 . 1 . 1 88 88 HIS CB C 13 32.083 0.400 . 1 . . . . A 88 HIS CB . 25987 1 939 . 1 . 1 88 88 HIS N N 15 115.687 0.400 . 1 . . . . A 88 HIS N . 25987 1 940 . 1 . 1 89 89 GLU H H 1 8.742 0.020 . 1 . . . . A 89 GLU H . 25987 1 941 . 1 . 1 89 89 GLU CA C 13 57.514 0.400 . 1 . . . . A 89 GLU CA . 25987 1 942 . 1 . 1 89 89 GLU CB C 13 30.892 0.400 . 1 . . . . A 89 GLU CB . 25987 1 943 . 1 . 1 89 89 GLU N N 15 121.001 0.400 . 1 . . . . A 89 GLU N . 25987 1 944 . 1 . 1 90 90 HIS H H 1 8.134 0.020 . 1 . . . . A 90 HIS H . 25987 1 945 . 1 . 1 90 90 HIS HA H 1 5.432 0.020 . 1 . . . . A 90 HIS HA . 25987 1 946 . 1 . 1 90 90 HIS HB2 H 1 3.259 0.020 . 2 . . . . A 90 HIS HB2 . 25987 1 947 . 1 . 1 90 90 HIS HB3 H 1 3.320 0.020 . 2 . . . . A 90 HIS HB3 . 25987 1 948 . 1 . 1 90 90 HIS HD2 H 1 7.161 0.020 . 1 . . . . A 90 HIS HD2 . 25987 1 949 . 1 . 1 90 90 HIS CA C 13 55.049 0.400 . 1 . . . . A 90 HIS CA . 25987 1 950 . 1 . 1 90 90 HIS CB C 13 31.809 0.400 . 1 . . . . A 90 HIS CB . 25987 1 951 . 1 . 1 90 90 HIS CD2 C 13 119.794 0.400 . 1 . . . . A 90 HIS CD2 . 25987 1 952 . 1 . 1 90 90 HIS N N 15 116.870 0.400 . 1 . . . . A 90 HIS N . 25987 1 953 . 1 . 1 91 91 ALA H H 1 8.450 0.020 . 1 . . . . A 91 ALA H . 25987 1 954 . 1 . 1 91 91 ALA HA H 1 4.733 0.020 . 1 . . . . A 91 ALA HA . 25987 1 955 . 1 . 1 91 91 ALA HB1 H 1 1.307 0.020 . 1 . . . . A 91 ALA HB1 . 25987 1 956 . 1 . 1 91 91 ALA HB2 H 1 1.307 0.020 . 1 . . . . A 91 ALA HB2 . 25987 1 957 . 1 . 1 91 91 ALA HB3 H 1 1.307 0.020 . 1 . . . . A 91 ALA HB3 . 25987 1 958 . 1 . 1 91 91 ALA CA C 13 51.536 0.400 . 1 . . . . A 91 ALA CA . 25987 1 959 . 1 . 1 91 91 ALA CB C 13 21.727 0.400 . 1 . . . . A 91 ALA CB . 25987 1 960 . 1 . 1 91 91 ALA N N 15 125.156 0.400 . 1 . . . . A 91 ALA N . 25987 1 961 . 1 . 1 92 92 GLU H H 1 8.449 0.020 . 1 . . . . A 92 GLU H . 25987 1 962 . 1 . 1 92 92 GLU HA H 1 5.805 0.020 . 1 . . . . A 92 GLU HA . 25987 1 963 . 1 . 1 92 92 GLU HB2 H 1 2.012 0.020 . 2 . . . . A 92 GLU HB2 . 25987 1 964 . 1 . 1 92 92 GLU HB3 H 1 1.696 0.020 . 2 . . . . A 92 GLU HB3 . 25987 1 965 . 1 . 1 92 92 GLU HG2 H 1 2.133 0.020 . 2 . . . . A 92 GLU HG2 . 25987 1 966 . 1 . 1 92 92 GLU HG3 H 1 1.887 0.020 . 2 . . . . A 92 GLU HG3 . 25987 1 967 . 1 . 1 92 92 GLU CA C 13 54.527 0.400 . 1 . . . . A 92 GLU CA . 25987 1 968 . 1 . 1 92 92 GLU CB C 13 34.456 0.400 . 1 . . . . A 92 GLU CB . 25987 1 969 . 1 . 1 92 92 GLU CG C 13 35.178 0.400 . 1 . . . . A 92 GLU CG . 25987 1 970 . 1 . 1 92 92 GLU N N 15 117.886 0.400 . 1 . . . . A 92 GLU N . 25987 1 971 . 1 . 1 93 93 VAL H H 1 8.547 0.020 . 1 . . . . A 93 VAL H . 25987 1 972 . 1 . 1 93 93 VAL HA H 1 4.642 0.020 . 1 . . . . A 93 VAL HA . 25987 1 973 . 1 . 1 93 93 VAL HB H 1 2.105 0.020 . 1 . . . . A 93 VAL HB . 25987 1 974 . 1 . 1 93 93 VAL HG11 H 1 1.076 0.020 . 2 . . . . A 93 VAL HG11 . 25987 1 975 . 1 . 1 93 93 VAL HG12 H 1 1.076 0.020 . 2 . . . . A 93 VAL HG12 . 25987 1 976 . 1 . 1 93 93 VAL HG13 H 1 1.076 0.020 . 2 . . . . A 93 VAL HG13 . 25987 1 977 . 1 . 1 93 93 VAL HG21 H 1 0.849 0.020 . 2 . . . . A 93 VAL HG21 . 25987 1 978 . 1 . 1 93 93 VAL HG22 H 1 0.849 0.020 . 2 . . . . A 93 VAL HG22 . 25987 1 979 . 1 . 1 93 93 VAL HG23 H 1 0.849 0.020 . 2 . . . . A 93 VAL HG23 . 25987 1 980 . 1 . 1 93 93 VAL CA C 13 60.661 0.400 . 1 . . . . A 93 VAL CA . 25987 1 981 . 1 . 1 93 93 VAL CB C 13 35.063 0.400 . 1 . . . . A 93 VAL CB . 25987 1 982 . 1 . 1 93 93 VAL CG1 C 13 21.985 0.400 . 1 . . . . A 93 VAL CG1 . 25987 1 983 . 1 . 1 93 93 VAL CG2 C 13 20.344 0.400 . 1 . . . . A 93 VAL CG2 . 25987 1 984 . 1 . 1 93 93 VAL N N 15 118.383 0.400 . 1 . . . . A 93 VAL N . 25987 1 985 . 1 . 1 94 94 VAL H H 1 8.319 0.020 . 1 . . . . A 94 VAL H . 25987 1 986 . 1 . 1 94 94 VAL HA H 1 5.324 0.020 . 1 . . . . A 94 VAL HA . 25987 1 987 . 1 . 1 94 94 VAL HB H 1 1.945 0.020 . 1 . . . . A 94 VAL HB . 25987 1 988 . 1 . 1 94 94 VAL HG11 H 1 1.051 0.020 . 2 . . . . A 94 VAL HG11 . 25987 1 989 . 1 . 1 94 94 VAL HG12 H 1 1.051 0.020 . 2 . . . . A 94 VAL HG12 . 25987 1 990 . 1 . 1 94 94 VAL HG13 H 1 1.051 0.020 . 2 . . . . A 94 VAL HG13 . 25987 1 991 . 1 . 1 94 94 VAL HG21 H 1 0.870 0.020 . 2 . . . . A 94 VAL HG21 . 25987 1 992 . 1 . 1 94 94 VAL HG22 H 1 0.870 0.020 . 2 . . . . A 94 VAL HG22 . 25987 1 993 . 1 . 1 94 94 VAL HG23 H 1 0.870 0.020 . 2 . . . . A 94 VAL HG23 . 25987 1 994 . 1 . 1 94 94 VAL CA C 13 60.742 0.400 . 1 . . . . A 94 VAL CA . 25987 1 995 . 1 . 1 94 94 VAL CB C 13 34.295 0.400 . 1 . . . . A 94 VAL CB . 25987 1 996 . 1 . 1 94 94 VAL CG1 C 13 21.711 0.400 . 1 . . . . A 94 VAL CG1 . 25987 1 997 . 1 . 1 94 94 VAL CG2 C 13 21.586 0.400 . 1 . . . . A 94 VAL CG2 . 25987 1 998 . 1 . 1 94 94 VAL N N 15 127.591 0.400 . 1 . . . . A 94 VAL N . 25987 1 999 . 1 . 1 95 95 PHE H H 1 9.402 0.020 . 1 . . . . A 95 PHE H . 25987 1 1000 . 1 . 1 95 95 PHE HA H 1 5.148 0.020 . 1 . . . . A 95 PHE HA . 25987 1 1001 . 1 . 1 95 95 PHE HB2 H 1 3.097 0.020 . 1 . . . . A 95 PHE HB2 . 25987 1 1002 . 1 . 1 95 95 PHE HB3 H 1 3.097 0.020 . 1 . . . . A 95 PHE HB3 . 25987 1 1003 . 1 . 1 95 95 PHE HD1 H 1 6.785 0.020 . 1 . . . . A 95 PHE HD1 . 25987 1 1004 . 1 . 1 95 95 PHE HD2 H 1 6.785 0.020 . 1 . . . . A 95 PHE HD2 . 25987 1 1005 . 1 . 1 95 95 PHE HE1 H 1 6.426 0.020 . 1 . . . . A 95 PHE HE1 . 25987 1 1006 . 1 . 1 95 95 PHE HE2 H 1 6.426 0.020 . 1 . . . . A 95 PHE HE2 . 25987 1 1007 . 1 . 1 95 95 PHE HZ H 1 6.534 0.020 . 1 . . . . A 95 PHE HZ . 25987 1 1008 . 1 . 1 95 95 PHE CA C 13 55.897 0.400 . 1 . . . . A 95 PHE CA . 25987 1 1009 . 1 . 1 95 95 PHE CB C 13 41.663 0.400 . 1 . . . . A 95 PHE CB . 25987 1 1010 . 1 . 1 95 95 PHE CD2 C 13 132.529 0.400 . 1 . . . . A 95 PHE CD2 . 25987 1 1011 . 1 . 1 95 95 PHE CE2 C 13 129.796 0.400 . 1 . . . . A 95 PHE CE2 . 25987 1 1012 . 1 . 1 95 95 PHE CZ C 13 127.573 0.400 . 1 . . . . A 95 PHE CZ . 25987 1 1013 . 1 . 1 95 95 PHE N N 15 124.354 0.400 . 1 . . . . A 95 PHE N . 25987 1 1014 . 1 . 1 96 96 THR H H 1 8.587 0.020 . 1 . . . . A 96 THR H . 25987 1 1015 . 1 . 1 96 96 THR HA H 1 4.668 0.020 . 1 . . . . A 96 THR HA . 25987 1 1016 . 1 . 1 96 96 THR HB H 1 4.042 0.020 . 1 . . . . A 96 THR HB . 25987 1 1017 . 1 . 1 96 96 THR HG21 H 1 1.102 0.020 . 1 . . . . A 96 THR HG21 . 25987 1 1018 . 1 . 1 96 96 THR HG22 H 1 1.102 0.020 . 1 . . . . A 96 THR HG22 . 25987 1 1019 . 1 . 1 96 96 THR HG23 H 1 1.102 0.020 . 1 . . . . A 96 THR HG23 . 25987 1 1020 . 1 . 1 96 96 THR CA C 13 62.001 0.400 . 1 . . . . A 96 THR CA . 25987 1 1021 . 1 . 1 96 96 THR CB C 13 69.670 0.400 . 1 . . . . A 96 THR CB . 25987 1 1022 . 1 . 1 96 96 THR CG2 C 13 21.696 0.400 . 1 . . . . A 96 THR CG2 . 25987 1 1023 . 1 . 1 96 96 THR N N 15 116.688 0.400 . 1 . . . . A 96 THR N . 25987 1 1024 . 1 . 1 97 97 ALA H H 1 9.099 0.020 . 1 . . . . A 97 ALA H . 25987 1 1025 . 1 . 1 97 97 ALA HA H 1 4.868 0.020 . 1 . . . . A 97 ALA HA . 25987 1 1026 . 1 . 1 97 97 ALA HB1 H 1 0.846 0.020 . 1 . . . . A 97 ALA HB1 . 25987 1 1027 . 1 . 1 97 97 ALA HB2 H 1 0.846 0.020 . 1 . . . . A 97 ALA HB2 . 25987 1 1028 . 1 . 1 97 97 ALA HB3 H 1 0.846 0.020 . 1 . . . . A 97 ALA HB3 . 25987 1 1029 . 1 . 1 97 97 ALA CA C 13 50.289 0.400 . 1 . . . . A 97 ALA CA . 25987 1 1030 . 1 . 1 97 97 ALA N N 15 129.726 0.400 . 1 . . . . A 97 ALA N . 25987 1 1031 . 1 . 1 99 99 ASP H H 1 8.887 0.020 . 1 . . . . A 99 ASP H . 25987 1 1032 . 1 . 1 99 99 ASP HA H 1 4.547 0.020 . 1 . . . . A 99 ASP HA . 25987 1 1033 . 1 . 1 99 99 ASP HB2 H 1 2.715 0.020 . 2 . . . . A 99 ASP HB2 . 25987 1 1034 . 1 . 1 99 99 ASP HB3 H 1 2.601 0.020 . 2 . . . . A 99 ASP HB3 . 25987 1 1035 . 1 . 1 99 99 ASP CA C 13 54.835 0.400 . 1 . . . . A 99 ASP CA . 25987 1 1036 . 1 . 1 99 99 ASP CB C 13 40.718 0.400 . 1 . . . . A 99 ASP CB . 25987 1 1037 . 1 . 1 99 99 ASP N N 15 117.982 0.400 . 1 . . . . A 99 ASP N . 25987 1 1038 . 1 . 1 100 100 SER H H 1 8.568 0.020 . 1 . . . . A 100 SER H . 25987 1 1039 . 1 . 1 100 100 SER HA H 1 4.612 0.020 . 1 . . . . A 100 SER HA . 25987 1 1040 . 1 . 1 100 100 SER HB2 H 1 3.904 0.020 . 1 . . . . A 100 SER HB2 . 25987 1 1041 . 1 . 1 100 100 SER HB3 H 1 3.904 0.020 . 1 . . . . A 100 SER HB3 . 25987 1 1042 . 1 . 1 100 100 SER CA C 13 57.692 0.400 . 1 . . . . A 100 SER CA . 25987 1 1043 . 1 . 1 100 100 SER CB C 13 63.571 0.400 . 1 . . . . A 100 SER CB . 25987 1 1044 . 1 . 1 100 100 SER N N 15 116.347 0.400 . 1 . . . . A 100 SER N . 25987 1 1045 . 1 . 1 101 101 GLY H H 1 7.703 0.020 . 1 . . . . A 101 GLY H . 25987 1 1046 . 1 . 1 101 101 GLY HA2 H 1 4.303 0.020 . 2 . . . . A 101 GLY HA2 . 25987 1 1047 . 1 . 1 101 101 GLY HA3 H 1 3.990 0.020 . 2 . . . . A 101 GLY HA3 . 25987 1 1048 . 1 . 1 101 101 GLY CA C 13 44.182 0.400 . 1 . . . . A 101 GLY CA . 25987 1 1049 . 1 . 1 101 101 GLY N N 15 110.610 0.400 . 1 . . . . A 101 GLY N . 25987 1 1050 . 1 . 1 102 102 PRO HD2 H 1 3.625 0.020 . 1 . . . . A 102 PRO HD2 . 25987 1 1051 . 1 . 1 102 102 PRO HD3 H 1 3.625 0.020 . 1 . . . . A 102 PRO HD3 . 25987 1 1052 . 1 . 1 102 102 PRO CD C 13 49.782 0.400 . 1 . . . . A 102 PRO CD . 25987 1 1053 . 1 . 1 105 105 TYR HA H 1 4.965 0.020 . 1 . . . . A 105 TYR HA . 25987 1 1054 . 1 . 1 105 105 TYR HB2 H 1 2.681 0.020 . 2 . . . . A 105 TYR HB2 . 25987 1 1055 . 1 . 1 105 105 TYR HB3 H 1 2.322 0.020 . 2 . . . . A 105 TYR HB3 . 25987 1 1056 . 1 . 1 105 105 TYR HD1 H 1 6.946 0.020 . 1 . . . . A 105 TYR HD1 . 25987 1 1057 . 1 . 1 105 105 TYR HD2 H 1 6.946 0.020 . 1 . . . . A 105 TYR HD2 . 25987 1 1058 . 1 . 1 105 105 TYR HE1 H 1 6.946 0.020 . 1 . . . . A 105 TYR HE1 . 25987 1 1059 . 1 . 1 105 105 TYR HE2 H 1 6.946 0.020 . 1 . . . . A 105 TYR HE2 . 25987 1 1060 . 1 . 1 105 105 TYR CA C 13 57.573 0.400 . 1 . . . . A 105 TYR CA . 25987 1 1061 . 1 . 1 105 105 TYR CB C 13 42.120 0.400 . 1 . . . . A 105 TYR CB . 25987 1 1062 . 1 . 1 106 106 THR H H 1 9.055 0.020 . 1 . . . . A 106 THR H . 25987 1 1063 . 1 . 1 106 106 THR HA H 1 4.951 0.020 . 1 . . . . A 106 THR HA . 25987 1 1064 . 1 . 1 106 106 THR HB H 1 3.837 0.020 . 1 . . . . A 106 THR HB . 25987 1 1065 . 1 . 1 106 106 THR HG21 H 1 0.935 0.020 . 1 . . . . A 106 THR HG21 . 25987 1 1066 . 1 . 1 106 106 THR HG22 H 1 0.935 0.020 . 1 . . . . A 106 THR HG22 . 25987 1 1067 . 1 . 1 106 106 THR HG23 H 1 0.935 0.020 . 1 . . . . A 106 THR HG23 . 25987 1 1068 . 1 . 1 106 106 THR CA C 13 61.483 0.400 . 1 . . . . A 106 THR CA . 25987 1 1069 . 1 . 1 106 106 THR CB C 13 70.812 0.400 . 1 . . . . A 106 THR CB . 25987 1 1070 . 1 . 1 106 106 THR CG2 C 13 20.993 0.400 . 1 . . . . A 106 THR CG2 . 25987 1 1071 . 1 . 1 106 106 THR N N 15 120.187 0.400 . 1 . . . . A 106 THR N . 25987 1 1072 . 1 . 1 107 107 ILE H H 1 8.950 0.020 . 1 . . . . A 107 ILE H . 25987 1 1073 . 1 . 1 107 107 ILE HA H 1 4.872 0.020 . 1 . . . . A 107 ILE HA . 25987 1 1074 . 1 . 1 107 107 ILE HB H 1 1.925 0.020 . 1 . . . . A 107 ILE HB . 25987 1 1075 . 1 . 1 107 107 ILE HG12 H 1 1.105 0.020 . 2 . . . . A 107 ILE HG12 . 25987 1 1076 . 1 . 1 107 107 ILE HG13 H 1 1.226 0.020 . 2 . . . . A 107 ILE HG13 . 25987 1 1077 . 1 . 1 107 107 ILE HG21 H 1 0.639 0.020 . 1 . . . . A 107 ILE HG21 . 25987 1 1078 . 1 . 1 107 107 ILE HG22 H 1 0.639 0.020 . 1 . . . . A 107 ILE HG22 . 25987 1 1079 . 1 . 1 107 107 ILE HG23 H 1 0.639 0.020 . 1 . . . . A 107 ILE HG23 . 25987 1 1080 . 1 . 1 107 107 ILE HD11 H 1 0.416 0.020 . 1 . . . . A 107 ILE HD11 . 25987 1 1081 . 1 . 1 107 107 ILE HD12 H 1 0.416 0.020 . 1 . . . . A 107 ILE HD12 . 25987 1 1082 . 1 . 1 107 107 ILE HD13 H 1 0.416 0.020 . 1 . . . . A 107 ILE HD13 . 25987 1 1083 . 1 . 1 107 107 ILE CA C 13 58.833 0.400 . 1 . . . . A 107 ILE CA . 25987 1 1084 . 1 . 1 107 107 ILE CB C 13 37.542 0.400 . 1 . . . . A 107 ILE CB . 25987 1 1085 . 1 . 1 107 107 ILE CG1 C 13 29.027 0.400 . 1 . . . . A 107 ILE CG1 . 25987 1 1086 . 1 . 1 107 107 ILE CG2 C 13 18.304 0.400 . 1 . . . . A 107 ILE CG2 . 25987 1 1087 . 1 . 1 107 107 ILE CD1 C 13 13.104 0.400 . 1 . . . . A 107 ILE CD1 . 25987 1 1088 . 1 . 1 107 107 ILE N N 15 128.167 0.400 . 1 . . . . A 107 ILE N . 25987 1 1089 . 1 . 1 108 108 ALA H H 1 8.884 0.020 . 1 . . . . A 108 ALA H . 25987 1 1090 . 1 . 1 108 108 ALA HA H 1 5.299 0.020 . 1 . . . . A 108 ALA HA . 25987 1 1091 . 1 . 1 108 108 ALA HB1 H 1 1.216 0.020 . 1 . . . . A 108 ALA HB1 . 25987 1 1092 . 1 . 1 108 108 ALA HB2 H 1 1.216 0.020 . 1 . . . . A 108 ALA HB2 . 25987 1 1093 . 1 . 1 108 108 ALA HB3 H 1 1.216 0.020 . 1 . . . . A 108 ALA HB3 . 25987 1 1094 . 1 . 1 108 108 ALA CA C 13 50.015 0.400 . 1 . . . . A 108 ALA CA . 25987 1 1095 . 1 . 1 108 108 ALA CB C 13 20.624 0.400 . 1 . . . . A 108 ALA CB . 25987 1 1096 . 1 . 1 108 108 ALA N N 15 130.707 0.400 . 1 . . . . A 108 ALA N . 25987 1 1097 . 1 . 1 109 109 ALA H H 1 8.891 0.020 . 1 . . . . A 109 ALA H . 25987 1 1098 . 1 . 1 109 109 ALA HA H 1 5.442 0.020 . 1 . . . . A 109 ALA HA . 25987 1 1099 . 1 . 1 109 109 ALA HB1 H 1 1.188 0.020 . 1 . . . . A 109 ALA HB1 . 25987 1 1100 . 1 . 1 109 109 ALA HB2 H 1 1.188 0.020 . 1 . . . . A 109 ALA HB2 . 25987 1 1101 . 1 . 1 109 109 ALA HB3 H 1 1.188 0.020 . 1 . . . . A 109 ALA HB3 . 25987 1 1102 . 1 . 1 109 109 ALA CA C 13 49.986 0.400 . 1 . . . . A 109 ALA CA . 25987 1 1103 . 1 . 1 109 109 ALA CB C 13 23.638 0.400 . 1 . . . . A 109 ALA CB . 25987 1 1104 . 1 . 1 109 109 ALA N N 15 126.097 0.400 . 1 . . . . A 109 ALA N . 25987 1 1105 . 1 . 1 110 110 MET H H 1 8.786 0.020 . 1 . . . . A 110 MET H . 25987 1 1106 . 1 . 1 110 110 MET HA H 1 5.092 0.020 . 1 . . . . A 110 MET HA . 25987 1 1107 . 1 . 1 110 110 MET HB2 H 1 2.195 0.020 . 2 . . . . A 110 MET HB2 . 25987 1 1108 . 1 . 1 110 110 MET HB3 H 1 1.894 0.020 . 2 . . . . A 110 MET HB3 . 25987 1 1109 . 1 . 1 110 110 MET HG2 H 1 2.469 0.020 . 2 . . . . A 110 MET HG2 . 25987 1 1110 . 1 . 1 110 110 MET HG3 H 1 2.198 0.020 . 2 . . . . A 110 MET HG3 . 25987 1 1111 . 1 . 1 110 110 MET HE1 H 1 2.002 0.020 . 1 . . . . A 110 MET HE1 . 25987 1 1112 . 1 . 1 110 110 MET HE2 H 1 2.002 0.020 . 1 . . . . A 110 MET HE2 . 25987 1 1113 . 1 . 1 110 110 MET HE3 H 1 2.002 0.020 . 1 . . . . A 110 MET HE3 . 25987 1 1114 . 1 . 1 110 110 MET CA C 13 53.806 0.400 . 1 . . . . A 110 MET CA . 25987 1 1115 . 1 . 1 110 110 MET CB C 13 33.092 0.400 . 1 . . . . A 110 MET CB . 25987 1 1116 . 1 . 1 110 110 MET CG C 13 32.234 0.400 . 1 . . . . A 110 MET CG . 25987 1 1117 . 1 . 1 110 110 MET CE C 13 17.086 0.400 . 1 . . . . A 110 MET CE . 25987 1 1118 . 1 . 1 110 110 MET N N 15 122.719 0.400 . 1 . . . . A 110 MET N . 25987 1 1119 . 1 . 1 111 111 LEU H H 1 9.326 0.020 . 1 . . . . A 111 LEU H . 25987 1 1120 . 1 . 1 111 111 LEU HA H 1 4.758 0.020 . 1 . . . . A 111 LEU HA . 25987 1 1121 . 1 . 1 111 111 LEU HB2 H 1 1.848 0.020 . 2 . . . . A 111 LEU HB2 . 25987 1 1122 . 1 . 1 111 111 LEU HB3 H 1 1.630 0.020 . 2 . . . . A 111 LEU HB3 . 25987 1 1123 . 1 . 1 111 111 LEU HG H 1 1.512 0.020 . 1 . . . . A 111 LEU HG . 25987 1 1124 . 1 . 1 111 111 LEU HD11 H 1 0.560 0.020 . 2 . . . . A 111 LEU HD11 . 25987 1 1125 . 1 . 1 111 111 LEU HD12 H 1 0.560 0.020 . 2 . . . . A 111 LEU HD12 . 25987 1 1126 . 1 . 1 111 111 LEU HD13 H 1 0.560 0.020 . 2 . . . . A 111 LEU HD13 . 25987 1 1127 . 1 . 1 111 111 LEU HD21 H 1 0.094 0.020 . 2 . . . . A 111 LEU HD21 . 25987 1 1128 . 1 . 1 111 111 LEU HD22 H 1 0.094 0.020 . 2 . . . . A 111 LEU HD22 . 25987 1 1129 . 1 . 1 111 111 LEU HD23 H 1 0.094 0.020 . 2 . . . . A 111 LEU HD23 . 25987 1 1130 . 1 . 1 111 111 LEU CA C 13 54.372 0.400 . 1 . . . . A 111 LEU CA . 25987 1 1131 . 1 . 1 111 111 LEU CB C 13 43.456 0.400 . 1 . . . . A 111 LEU CB . 25987 1 1132 . 1 . 1 111 111 LEU CG C 13 26.363 0.400 . 1 . . . . A 111 LEU CG . 25987 1 1133 . 1 . 1 111 111 LEU CD1 C 13 21.969 0.400 . 1 . . . . A 111 LEU CD1 . 25987 1 1134 . 1 . 1 111 111 LEU CD2 C 13 25.588 0.400 . 1 . . . . A 111 LEU CD2 . 25987 1 1135 . 1 . 1 111 111 LEU N N 15 122.593 0.400 . 1 . . . . A 111 LEU N . 25987 1 1136 . 1 . 1 112 112 SER H H 1 8.633 0.020 . 1 . . . . A 112 SER H . 25987 1 1137 . 1 . 1 112 112 SER HA H 1 5.095 0.020 . 1 . . . . A 112 SER HA . 25987 1 1138 . 1 . 1 112 112 SER HB2 H 1 3.775 0.020 . 2 . . . . A 112 SER HB2 . 25987 1 1139 . 1 . 1 112 112 SER HB3 H 1 3.635 0.020 . 2 . . . . A 112 SER HB3 . 25987 1 1140 . 1 . 1 112 112 SER CA C 13 54.219 0.400 . 1 . . . . A 112 SER CA . 25987 1 1141 . 1 . 1 112 112 SER CB C 13 65.918 0.400 . 1 . . . . A 112 SER CB . 25987 1 1142 . 1 . 1 112 112 SER N N 15 116.273 0.400 . 1 . . . . A 112 SER N . 25987 1 1143 . 1 . 1 113 113 PRO HA H 1 3.337 0.020 . 1 . . . . A 113 PRO HA . 25987 1 1144 . 1 . 1 113 113 PRO HB2 H 1 0.096 0.020 . 2 . . . . A 113 PRO HB2 . 25987 1 1145 . 1 . 1 113 113 PRO HB3 H 1 0.485 0.020 . 2 . . . . A 113 PRO HB3 . 25987 1 1146 . 1 . 1 113 113 PRO HG2 H 1 2.036 0.020 . 1 . . . . A 113 PRO HG2 . 25987 1 1147 . 1 . 1 113 113 PRO HG3 H 1 2.036 0.020 . 1 . . . . A 113 PRO HG3 . 25987 1 1148 . 1 . 1 113 113 PRO HD2 H 1 3.409 0.020 . 2 . . . . A 113 PRO HD2 . 25987 1 1149 . 1 . 1 113 113 PRO HD3 H 1 3.385 0.020 . 2 . . . . A 113 PRO HD3 . 25987 1 1150 . 1 . 1 113 113 PRO CA C 13 63.535 0.400 . 1 . . . . A 113 PRO CA . 25987 1 1151 . 1 . 1 113 113 PRO CB C 13 30.227 0.400 . 1 . . . . A 113 PRO CB . 25987 1 1152 . 1 . 1 113 113 PRO CG C 13 26.529 0.400 . 1 . . . . A 113 PRO CG . 25987 1 1153 . 1 . 1 113 113 PRO CD C 13 49.396 0.400 . 1 . . . . A 113 PRO CD . 25987 1 1154 . 1 . 1 114 114 TYR H H 1 7.570 0.020 . 1 . . . . A 114 TYR H . 25987 1 1155 . 1 . 1 114 114 TYR HA H 1 4.813 0.020 . 1 . . . . A 114 TYR HA . 25987 1 1156 . 1 . 1 114 114 TYR HB2 H 1 3.345 0.020 . 2 . . . . A 114 TYR HB2 . 25987 1 1157 . 1 . 1 114 114 TYR HB3 H 1 2.647 0.020 . 2 . . . . A 114 TYR HB3 . 25987 1 1158 . 1 . 1 114 114 TYR HD1 H 1 6.977 0.020 . 1 . . . . A 114 TYR HD1 . 25987 1 1159 . 1 . 1 114 114 TYR HD2 H 1 6.977 0.020 . 1 . . . . A 114 TYR HD2 . 25987 1 1160 . 1 . 1 114 114 TYR HE1 H 1 6.739 0.020 . 1 . . . . A 114 TYR HE1 . 25987 1 1161 . 1 . 1 114 114 TYR HE2 H 1 6.739 0.020 . 1 . . . . A 114 TYR HE2 . 25987 1 1162 . 1 . 1 114 114 TYR CA C 13 56.270 0.400 . 1 . . . . A 114 TYR CA . 25987 1 1163 . 1 . 1 114 114 TYR CB C 13 39.119 0.400 . 1 . . . . A 114 TYR CB . 25987 1 1164 . 1 . 1 114 114 TYR CD1 C 13 132.733 0.400 . 1 . . . . A 114 TYR CD1 . 25987 1 1165 . 1 . 1 114 114 TYR CE1 C 13 118.062 0.400 . 1 . . . . A 114 TYR CE1 . 25987 1 1166 . 1 . 1 114 114 TYR N N 15 117.176 0.400 . 1 . . . . A 114 TYR N . 25987 1 1167 . 1 . 1 115 115 SER H H 1 7.385 0.020 . 1 . . . . A 115 SER H . 25987 1 1168 . 1 . 1 115 115 SER HA H 1 4.628 0.020 . 1 . . . . A 115 SER HA . 25987 1 1169 . 1 . 1 115 115 SER HB2 H 1 3.860 0.020 . 2 . . . . A 115 SER HB2 . 25987 1 1170 . 1 . 1 115 115 SER HB3 H 1 3.817 0.020 . 2 . . . . A 115 SER HB3 . 25987 1 1171 . 1 . 1 115 115 SER CA C 13 56.687 0.400 . 1 . . . . A 115 SER CA . 25987 1 1172 . 1 . 1 115 115 SER CB C 13 64.508 0.400 . 1 . . . . A 115 SER CB . 25987 1 1173 . 1 . 1 115 115 SER N N 15 113.072 0.400 . 1 . . . . A 115 SER N . 25987 1 1174 . 1 . 1 116 116 TYR H H 1 8.215 0.020 . 1 . . . . A 116 TYR H . 25987 1 1175 . 1 . 1 116 116 TYR HA H 1 4.328 0.020 . 1 . . . . A 116 TYR HA . 25987 1 1176 . 1 . 1 116 116 TYR HB2 H 1 3.036 0.020 . 2 . . . . A 116 TYR HB2 . 25987 1 1177 . 1 . 1 116 116 TYR HB3 H 1 2.760 0.020 . 2 . . . . A 116 TYR HB3 . 25987 1 1178 . 1 . 1 116 116 TYR HD1 H 1 7.016 0.020 . 1 . . . . A 116 TYR HD1 . 25987 1 1179 . 1 . 1 116 116 TYR HD2 H 1 7.016 0.020 . 1 . . . . A 116 TYR HD2 . 25987 1 1180 . 1 . 1 116 116 TYR HE1 H 1 6.791 0.020 . 1 . . . . A 116 TYR HE1 . 25987 1 1181 . 1 . 1 116 116 TYR HE2 H 1 6.791 0.020 . 1 . . . . A 116 TYR HE2 . 25987 1 1182 . 1 . 1 116 116 TYR CA C 13 59.303 0.400 . 1 . . . . A 116 TYR CA . 25987 1 1183 . 1 . 1 116 116 TYR CB C 13 38.433 0.400 . 1 . . . . A 116 TYR CB . 25987 1 1184 . 1 . 1 116 116 TYR CD2 C 13 133.124 0.400 . 1 . . . . A 116 TYR CD2 . 25987 1 1185 . 1 . 1 116 116 TYR CE2 C 13 118.194 0.400 . 1 . . . . A 116 TYR CE2 . 25987 1 1186 . 1 . 1 116 116 TYR N N 15 120.367 0.400 . 1 . . . . A 116 TYR N . 25987 1 1187 . 1 . 1 117 117 SER CA C 13 60.107 0.400 . 1 . . . . A 117 SER CA . 25987 1 1188 . 1 . 1 117 117 SER CB C 13 63.394 0.400 . 1 . . . . A 117 SER CB . 25987 1 1189 . 1 . 1 118 118 THR H H 1 8.265 0.020 . 1 . . . . A 118 THR H . 25987 1 1190 . 1 . 1 118 118 THR HA H 1 4.521 0.020 . 1 . . . . A 118 THR HA . 25987 1 1191 . 1 . 1 118 118 THR HB H 1 4.154 0.020 . 1 . . . . A 118 THR HB . 25987 1 1192 . 1 . 1 118 118 THR HG21 H 1 1.246 0.020 . 1 . . . . A 118 THR HG21 . 25987 1 1193 . 1 . 1 118 118 THR HG22 H 1 1.246 0.020 . 1 . . . . A 118 THR HG22 . 25987 1 1194 . 1 . 1 118 118 THR HG23 H 1 1.246 0.020 . 1 . . . . A 118 THR HG23 . 25987 1 1195 . 1 . 1 118 118 THR CA C 13 61.850 0.400 . 1 . . . . A 118 THR CA . 25987 1 1196 . 1 . 1 118 118 THR CB C 13 70.442 0.400 . 1 . . . . A 118 THR CB . 25987 1 1197 . 1 . 1 118 118 THR CG2 C 13 21.643 0.400 . 1 . . . . A 118 THR CG2 . 25987 1 1198 . 1 . 1 118 118 THR N N 15 117.489 0.400 . 1 . . . . A 118 THR N . 25987 1 1199 . 1 . 1 119 119 MET H H 1 8.537 0.020 . 1 . . . . A 119 MET H . 25987 1 1200 . 1 . 1 119 119 MET HA H 1 4.887 0.020 . 1 . . . . A 119 MET HA . 25987 1 1201 . 1 . 1 119 119 MET HB2 H 1 1.894 0.020 . 2 . . . . A 119 MET HB2 . 25987 1 1202 . 1 . 1 119 119 MET HB3 H 1 1.582 0.020 . 2 . . . . A 119 MET HB3 . 25987 1 1203 . 1 . 1 119 119 MET HE1 H 1 1.684 0.020 . 1 . . . . A 119 MET HE1 . 25987 1 1204 . 1 . 1 119 119 MET HE2 H 1 1.684 0.020 . 1 . . . . A 119 MET HE2 . 25987 1 1205 . 1 . 1 119 119 MET HE3 H 1 1.684 0.020 . 1 . . . . A 119 MET HE3 . 25987 1 1206 . 1 . 1 119 119 MET CA C 13 54.329 0.400 . 1 . . . . A 119 MET CA . 25987 1 1207 . 1 . 1 119 119 MET CB C 13 35.892 0.400 . 1 . . . . A 119 MET CB . 25987 1 1208 . 1 . 1 119 119 MET CE C 13 17.067 0.400 . 1 . . . . A 119 MET CE . 25987 1 1209 . 1 . 1 119 119 MET N N 15 122.708 0.400 . 1 . . . . A 119 MET N . 25987 1 1210 . 1 . 1 120 120 ALA H H 1 8.676 0.020 . 1 . . . . A 120 ALA H . 25987 1 1211 . 1 . 1 120 120 ALA HA H 1 4.730 0.020 . 1 . . . . A 120 ALA HA . 25987 1 1212 . 1 . 1 120 120 ALA HB1 H 1 1.354 0.020 . 1 . . . . A 120 ALA HB1 . 25987 1 1213 . 1 . 1 120 120 ALA HB2 H 1 1.354 0.020 . 1 . . . . A 120 ALA HB2 . 25987 1 1214 . 1 . 1 120 120 ALA HB3 H 1 1.354 0.020 . 1 . . . . A 120 ALA HB3 . 25987 1 1215 . 1 . 1 120 120 ALA CA C 13 51.062 0.400 . 1 . . . . A 120 ALA CA . 25987 1 1216 . 1 . 1 120 120 ALA CB C 13 22.084 0.400 . 1 . . . . A 120 ALA CB . 25987 1 1217 . 1 . 1 120 120 ALA N N 15 125.367 0.400 . 1 . . . . A 120 ALA N . 25987 1 1218 . 1 . 1 121 121 VAL H H 1 8.554 0.020 . 1 . . . . A 121 VAL H . 25987 1 1219 . 1 . 1 121 121 VAL HA H 1 4.402 0.020 . 1 . . . . A 121 VAL HA . 25987 1 1220 . 1 . 1 121 121 VAL HB H 1 1.930 0.020 . 1 . . . . A 121 VAL HB . 25987 1 1221 . 1 . 1 121 121 VAL HG11 H 1 0.502 0.020 . 2 . . . . A 121 VAL HG11 . 25987 1 1222 . 1 . 1 121 121 VAL HG12 H 1 0.502 0.020 . 2 . . . . A 121 VAL HG12 . 25987 1 1223 . 1 . 1 121 121 VAL HG13 H 1 0.502 0.020 . 2 . . . . A 121 VAL HG13 . 25987 1 1224 . 1 . 1 121 121 VAL HG21 H 1 0.608 0.020 . 2 . . . . A 121 VAL HG21 . 25987 1 1225 . 1 . 1 121 121 VAL HG22 H 1 0.608 0.020 . 2 . . . . A 121 VAL HG22 . 25987 1 1226 . 1 . 1 121 121 VAL HG23 H 1 0.608 0.020 . 2 . . . . A 121 VAL HG23 . 25987 1 1227 . 1 . 1 121 121 VAL CA C 13 61.836 0.400 . 1 . . . . A 121 VAL CA . 25987 1 1228 . 1 . 1 121 121 VAL CB C 13 32.487 0.400 . 1 . . . . A 121 VAL CB . 25987 1 1229 . 1 . 1 121 121 VAL CG1 C 13 20.705 0.400 . 1 . . . . A 121 VAL CG1 . 25987 1 1230 . 1 . 1 121 121 VAL CG2 C 13 21.010 0.400 . 1 . . . . A 121 VAL CG2 . 25987 1 1231 . 1 . 1 121 121 VAL N N 15 121.632 0.400 . 1 . . . . A 121 VAL N . 25987 1 1232 . 1 . 1 122 122 VAL H H 1 9.243 0.020 . 1 . . . . A 122 VAL H . 25987 1 1233 . 1 . 1 122 122 VAL HA H 1 4.395 0.020 . 1 . . . . A 122 VAL HA . 25987 1 1234 . 1 . 1 122 122 VAL HB H 1 2.014 0.020 . 1 . . . . A 122 VAL HB . 25987 1 1235 . 1 . 1 122 122 VAL HG11 H 1 0.864 0.020 . 2 . . . . A 122 VAL HG11 . 25987 1 1236 . 1 . 1 122 122 VAL HG12 H 1 0.864 0.020 . 2 . . . . A 122 VAL HG12 . 25987 1 1237 . 1 . 1 122 122 VAL HG13 H 1 0.864 0.020 . 2 . . . . A 122 VAL HG13 . 25987 1 1238 . 1 . 1 122 122 VAL HG21 H 1 0.842 0.020 . 2 . . . . A 122 VAL HG21 . 25987 1 1239 . 1 . 1 122 122 VAL HG22 H 1 0.842 0.020 . 2 . . . . A 122 VAL HG22 . 25987 1 1240 . 1 . 1 122 122 VAL HG23 H 1 0.842 0.020 . 2 . . . . A 122 VAL HG23 . 25987 1 1241 . 1 . 1 122 122 VAL CA C 13 61.364 0.400 . 1 . . . . A 122 VAL CA . 25987 1 1242 . 1 . 1 122 122 VAL CB C 13 34.228 0.400 . 1 . . . . A 122 VAL CB . 25987 1 1243 . 1 . 1 122 122 VAL CG1 C 13 21.126 0.400 . 1 . . . . A 122 VAL CG1 . 25987 1 1244 . 1 . 1 122 122 VAL CG2 C 13 20.637 0.400 . 1 . . . . A 122 VAL CG2 . 25987 1 1245 . 1 . 1 122 122 VAL N N 15 129.745 0.400 . 1 . . . . A 122 VAL N . 25987 1 1246 . 1 . 1 123 123 THR HB H 1 3.915 0.020 . 1 . . . . A 123 THR HB . 25987 1 1247 . 1 . 1 123 123 THR HG21 H 1 0.956 0.020 . 1 . . . . A 123 THR HG21 . 25987 1 1248 . 1 . 1 123 123 THR HG22 H 1 0.956 0.020 . 1 . . . . A 123 THR HG22 . 25987 1 1249 . 1 . 1 123 123 THR HG23 H 1 0.956 0.020 . 1 . . . . A 123 THR HG23 . 25987 1 1250 . 1 . 1 123 123 THR CB C 13 70.033 0.400 . 1 . . . . A 123 THR CB . 25987 1 1251 . 1 . 1 123 123 THR CG2 C 13 21.599 0.400 . 1 . . . . A 123 THR CG2 . 25987 1 1252 . 1 . 1 124 124 ASN HA H 1 4.932 0.020 . 1 . . . . A 124 ASN HA . 25987 1 1253 . 1 . 1 124 124 ASN HB2 H 1 2.732 0.020 . 2 . . . . A 124 ASN HB2 . 25987 1 1254 . 1 . 1 124 124 ASN HB3 H 1 2.422 0.020 . 2 . . . . A 124 ASN HB3 . 25987 1 1255 . 1 . 1 124 124 ASN HD21 H 1 7.435 0.020 . 2 . . . . A 124 ASN HD21 . 25987 1 1256 . 1 . 1 124 124 ASN HD22 H 1 6.780 0.020 . 2 . . . . A 124 ASN HD22 . 25987 1 1257 . 1 . 1 124 124 ASN CA C 13 51.607 0.400 . 1 . . . . A 124 ASN CA . 25987 1 1258 . 1 . 1 124 124 ASN CB C 13 39.710 0.400 . 1 . . . . A 124 ASN CB . 25987 1 1259 . 1 . 1 124 124 ASN ND2 N 15 112.657 0.400 . 1 . . . . A 124 ASN ND2 . 25987 1 1260 . 1 . 1 125 125 PRO HA H 1 4.416 0.020 . 1 . . . . A 125 PRO HA . 25987 1 1261 . 1 . 1 125 125 PRO HB2 H 1 2.280 0.020 . 2 . . . . A 125 PRO HB2 . 25987 1 1262 . 1 . 1 125 125 PRO HB3 H 1 1.943 0.020 . 2 . . . . A 125 PRO HB3 . 25987 1 1263 . 1 . 1 125 125 PRO HD2 H 1 3.730 0.020 . 2 . . . . A 125 PRO HD2 . 25987 1 1264 . 1 . 1 125 125 PRO HD3 H 1 3.632 0.020 . 2 . . . . A 125 PRO HD3 . 25987 1 1265 . 1 . 1 125 125 PRO CA C 13 63.095 0.400 . 1 . . . . A 125 PRO CA . 25987 1 1266 . 1 . 1 125 125 PRO CB C 13 32.158 0.400 . 1 . . . . A 125 PRO CB . 25987 1 1267 . 1 . 1 125 125 PRO CD C 13 50.646 0.400 . 1 . . . . A 125 PRO CD . 25987 1 1268 . 1 . 1 126 126 LYS H H 1 8.365 0.020 . 1 . . . . A 126 LYS H . 25987 1 1269 . 1 . 1 126 126 LYS HA H 1 4.143 0.020 . 1 . . . . A 126 LYS HA . 25987 1 1270 . 1 . 1 126 126 LYS HB2 H 1 1.813 0.020 . 2 . . . . A 126 LYS HB2 . 25987 1 1271 . 1 . 1 126 126 LYS HB3 H 1 1.667 0.020 . 2 . . . . A 126 LYS HB3 . 25987 1 1272 . 1 . 1 126 126 LYS HG2 H 1 1.394 0.020 . 1 . . . . A 126 LYS HG2 . 25987 1 1273 . 1 . 1 126 126 LYS HG3 H 1 1.394 0.020 . 1 . . . . A 126 LYS HG3 . 25987 1 1274 . 1 . 1 126 126 LYS HD2 H 1 1.668 0.020 . 1 . . . . A 126 LYS HD2 . 25987 1 1275 . 1 . 1 126 126 LYS HD3 H 1 1.668 0.020 . 1 . . . . A 126 LYS HD3 . 25987 1 1276 . 1 . 1 126 126 LYS HE2 H 1 2.975 0.020 . 1 . . . . A 126 LYS HE2 . 25987 1 1277 . 1 . 1 126 126 LYS HE3 H 1 2.975 0.020 . 1 . . . . A 126 LYS HE3 . 25987 1 1278 . 1 . 1 126 126 LYS CA C 13 57.056 0.400 . 1 . . . . A 126 LYS CA . 25987 1 1279 . 1 . 1 126 126 LYS CB C 13 32.976 0.400 . 1 . . . . A 126 LYS CB . 25987 1 1280 . 1 . 1 126 126 LYS CG C 13 25.073 0.400 . 1 . . . . A 126 LYS CG . 25987 1 1281 . 1 . 1 126 126 LYS CD C 13 29.248 0.400 . 1 . . . . A 126 LYS CD . 25987 1 1282 . 1 . 1 126 126 LYS CE C 13 42.143 0.400 . 1 . . . . A 126 LYS CE . 25987 1 1283 . 1 . 1 126 126 LYS N N 15 121.712 0.400 . 1 . . . . A 126 LYS N . 25987 1 1284 . 1 . 1 127 127 GLU H H 1 7.928 0.020 . 1 . . . . A 127 GLU H . 25987 1 1285 . 1 . 1 127 127 GLU HA H 1 4.098 0.020 . 1 . . . . A 127 GLU HA . 25987 1 1286 . 1 . 1 127 127 GLU HB2 H 1 2.019 0.020 . 2 . . . . A 127 GLU HB2 . 25987 1 1287 . 1 . 1 127 127 GLU HB3 H 1 1.862 0.020 . 2 . . . . A 127 GLU HB3 . 25987 1 1288 . 1 . 1 127 127 GLU HG2 H 1 2.154 0.020 . 1 . . . . A 127 GLU HG2 . 25987 1 1289 . 1 . 1 127 127 GLU HG3 H 1 2.154 0.020 . 1 . . . . A 127 GLU HG3 . 25987 1 1290 . 1 . 1 127 127 GLU CA C 13 57.921 0.400 . 1 . . . . A 127 GLU CA . 25987 1 1291 . 1 . 1 127 127 GLU CB C 13 31.264 0.400 . 1 . . . . A 127 GLU CB . 25987 1 1292 . 1 . 1 127 127 GLU CG C 13 36.593 0.400 . 1 . . . . A 127 GLU CG . 25987 1 1293 . 1 . 1 127 127 GLU N N 15 127.099 0.400 . 1 . . . . A 127 GLU N . 25987 1 stop_ save_