data_34982 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34982 _Entry.Title ; The solution NMR structure of OB domain of ComEC from Moorella glycerini ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-02-15 _Entry.Accession_date 2025-02-15 _Entry.Last_release_date 2025-07-27 _Entry.Original_release_date 2025-07-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 M. Stedman M. J.M. . . 34982 2 A. Gossert A. D. . . 34982 3 M. Hospenthal M. K. . . 34982 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34982 'DNA binding' . 34982 'DNA translocation' . 34982 'OB-fold protein' . 34982 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34982 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 196 34982 '15N chemical shifts' 53 34982 '1H chemical shifts' 411 34982 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-10-02 . original BMRB . 34982 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9IEW 'BMRB Entry Tracking System' 34982 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34982 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular interplay between ComEC domains leads to efficient DNA translocation during natural transformation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 M. Stedman M. J.M. . . 34982 1 2 S. Deselaers S. . . . 34982 1 3 S. Braus S. A.G. . . 34982 1 4 D. Wang D. . . . 34982 1 5 M. Balaguer M. G. . . 34982 1 6 A. Gossert A. D. . . 34982 1 7 M. Hospenthal M. K. . . 34982 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34982 _Assembly.ID 1 _Assembly.Name 'Competence protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 34982 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34982 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; HQSRLTGDRETFLDLTGVVI EEPRVYPNRVVYTLAAREIR QGDYHKRVREKVQVVLYRSA KGGEPVLYRYGDVLRVHGQL AAPPAARNPGELDYRAYLAR QYIYNRMLIDNPRAIVKLGT EPGH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14283.295 _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 . HIS . 34982 1 2 . GLN . 34982 1 3 . SER . 34982 1 4 . ARG . 34982 1 5 . LEU . 34982 1 6 . THR . 34982 1 7 . GLY . 34982 1 8 . ASP . 34982 1 9 . ARG . 34982 1 10 . GLU . 34982 1 11 . THR . 34982 1 12 . PHE . 34982 1 13 . LEU . 34982 1 14 . ASP . 34982 1 15 . LEU . 34982 1 16 . THR . 34982 1 17 . GLY . 34982 1 18 . VAL . 34982 1 19 . VAL . 34982 1 20 . ILE . 34982 1 21 . GLU . 34982 1 22 . GLU . 34982 1 23 . PRO . 34982 1 24 . ARG . 34982 1 25 . VAL . 34982 1 26 . TYR . 34982 1 27 . PRO . 34982 1 28 . ASN . 34982 1 29 . ARG . 34982 1 30 . VAL . 34982 1 31 . VAL . 34982 1 32 . TYR . 34982 1 33 . THR . 34982 1 34 . LEU . 34982 1 35 . ALA . 34982 1 36 . ALA . 34982 1 37 . ARG . 34982 1 38 . GLU . 34982 1 39 . ILE . 34982 1 40 . ARG . 34982 1 41 . GLN . 34982 1 42 . GLY . 34982 1 43 . ASP . 34982 1 44 . TYR . 34982 1 45 . HIS . 34982 1 46 . LYS . 34982 1 47 . ARG . 34982 1 48 . VAL . 34982 1 49 . ARG . 34982 1 50 . GLU . 34982 1 51 . LYS . 34982 1 52 . VAL . 34982 1 53 . GLN . 34982 1 54 . VAL . 34982 1 55 . VAL . 34982 1 56 . LEU . 34982 1 57 . TYR . 34982 1 58 . ARG . 34982 1 59 . SER . 34982 1 60 . ALA . 34982 1 61 . LYS . 34982 1 62 . GLY . 34982 1 63 . GLY . 34982 1 64 . GLU . 34982 1 65 . PRO . 34982 1 66 . VAL . 34982 1 67 . LEU . 34982 1 68 . TYR . 34982 1 69 . ARG . 34982 1 70 . TYR . 34982 1 71 . GLY . 34982 1 72 . ASP . 34982 1 73 . VAL . 34982 1 74 . LEU . 34982 1 75 . ARG . 34982 1 76 . VAL . 34982 1 77 . HIS . 34982 1 78 . GLY . 34982 1 79 . GLN . 34982 1 80 . LEU . 34982 1 81 . ALA . 34982 1 82 . ALA . 34982 1 83 . PRO . 34982 1 84 . PRO . 34982 1 85 . ALA . 34982 1 86 . ALA . 34982 1 87 . ARG . 34982 1 88 . ASN . 34982 1 89 . PRO . 34982 1 90 . GLY . 34982 1 91 . GLU . 34982 1 92 . LEU . 34982 1 93 . ASP . 34982 1 94 . TYR . 34982 1 95 . ARG . 34982 1 96 . ALA . 34982 1 97 . TYR . 34982 1 98 . LEU . 34982 1 99 . ALA . 34982 1 100 . ARG . 34982 1 101 . GLN . 34982 1 102 . TYR . 34982 1 103 . ILE . 34982 1 104 . TYR . 34982 1 105 . ASN . 34982 1 106 . ARG . 34982 1 107 . MET . 34982 1 108 . LEU . 34982 1 109 . ILE . 34982 1 110 . ASP . 34982 1 111 . ASN . 34982 1 112 . PRO . 34982 1 113 . ARG . 34982 1 114 . ALA . 34982 1 115 . ILE . 34982 1 116 . VAL . 34982 1 117 . LYS . 34982 1 118 . LEU . 34982 1 119 . GLY . 34982 1 120 . THR . 34982 1 121 . GLU . 34982 1 122 . PRO . 34982 1 123 . GLY . 34982 1 124 . HIS . 34982 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 . HIS 1 1 34982 1 . GLN 2 2 34982 1 . SER 3 3 34982 1 . ARG 4 4 34982 1 . LEU 5 5 34982 1 . THR 6 6 34982 1 . GLY 7 7 34982 1 . ASP 8 8 34982 1 . ARG 9 9 34982 1 . GLU 10 10 34982 1 . THR 11 11 34982 1 . PHE 12 12 34982 1 . LEU 13 13 34982 1 . ASP 14 14 34982 1 . LEU 15 15 34982 1 . THR 16 16 34982 1 . GLY 17 17 34982 1 . VAL 18 18 34982 1 . VAL 19 19 34982 1 . ILE 20 20 34982 1 . GLU 21 21 34982 1 . GLU 22 22 34982 1 . PRO 23 23 34982 1 . ARG 24 24 34982 1 . VAL 25 25 34982 1 . TYR 26 26 34982 1 . PRO 27 27 34982 1 . ASN 28 28 34982 1 . ARG 29 29 34982 1 . VAL 30 30 34982 1 . VAL 31 31 34982 1 . TYR 32 32 34982 1 . THR 33 33 34982 1 . LEU 34 34 34982 1 . ALA 35 35 34982 1 . ALA 36 36 34982 1 . ARG 37 37 34982 1 . GLU 38 38 34982 1 . ILE 39 39 34982 1 . ARG 40 40 34982 1 . GLN 41 41 34982 1 . GLY 42 42 34982 1 . ASP 43 43 34982 1 . TYR 44 44 34982 1 . HIS 45 45 34982 1 . LYS 46 46 34982 1 . ARG 47 47 34982 1 . VAL 48 48 34982 1 . ARG 49 49 34982 1 . GLU 50 50 34982 1 . LYS 51 51 34982 1 . VAL 52 52 34982 1 . GLN 53 53 34982 1 . VAL 54 54 34982 1 . VAL 55 55 34982 1 . LEU 56 56 34982 1 . TYR 57 57 34982 1 . ARG 58 58 34982 1 . SER 59 59 34982 1 . ALA 60 60 34982 1 . LYS 61 61 34982 1 . GLY 62 62 34982 1 . GLY 63 63 34982 1 . GLU 64 64 34982 1 . PRO 65 65 34982 1 . VAL 66 66 34982 1 . LEU 67 67 34982 1 . TYR 68 68 34982 1 . ARG 69 69 34982 1 . TYR 70 70 34982 1 . GLY 71 71 34982 1 . ASP 72 72 34982 1 . VAL 73 73 34982 1 . LEU 74 74 34982 1 . ARG 75 75 34982 1 . VAL 76 76 34982 1 . HIS 77 77 34982 1 . GLY 78 78 34982 1 . GLN 79 79 34982 1 . LEU 80 80 34982 1 . ALA 81 81 34982 1 . ALA 82 82 34982 1 . PRO 83 83 34982 1 . PRO 84 84 34982 1 . ALA 85 85 34982 1 . ALA 86 86 34982 1 . ARG 87 87 34982 1 . ASN 88 88 34982 1 . PRO 89 89 34982 1 . GLY 90 90 34982 1 . GLU 91 91 34982 1 . LEU 92 92 34982 1 . ASP 93 93 34982 1 . TYR 94 94 34982 1 . ARG 95 95 34982 1 . ALA 96 96 34982 1 . TYR 97 97 34982 1 . LEU 98 98 34982 1 . ALA 99 99 34982 1 . ARG 100 100 34982 1 . GLN 101 101 34982 1 . TYR 102 102 34982 1 . ILE 103 103 34982 1 . TYR 104 104 34982 1 . ASN 105 105 34982 1 . ARG 106 106 34982 1 . MET 107 107 34982 1 . LEU 108 108 34982 1 . ILE 109 109 34982 1 . ASP 110 110 34982 1 . ASN 111 111 34982 1 . PRO 112 112 34982 1 . ARG 113 113 34982 1 . ALA 114 114 34982 1 . ILE 115 115 34982 1 . VAL 116 116 34982 1 . LYS 117 117 34982 1 . LEU 118 118 34982 1 . GLY 119 119 34982 1 . THR 120 120 34982 1 . GLU 121 121 34982 1 . PRO 122 122 34982 1 . GLY 123 123 34982 1 . HIS 124 124 34982 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 34982 _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 $entity_1 . 55779 organism . 'Moorella glycerini' 'Moorella glycerini' . . Bacteria . Moorella glycerini . . . . . . . . . . . MGLY_18620 . 34982 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 34982 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . pOPINS . . . 34982 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34982 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-13C; U-15N] OB Domain, 50 mM HEPES, 50 mM sodium chloride, 10 % [U-2H] D2O, 90 % H2O, 90% H2O/10% D2O' _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 'OB Domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM 0.4 . . . 34982 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 34982 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34982 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 34982 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34982 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34982 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N] OB Domain, 50 mM [U-2H] TRIS, 50 mM sodium chloride, 10 % [U-2H] D2O, 90 % H2O, 90% H2O/10% D2O' _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 'OB Domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM 0.2 . . . 34982 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34982 2 3 D2O [U-2H] . . . . . . 10 . . % . . . . 34982 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 34982 2 5 TRIS [U-2H] . . . . . . 50 . . mM . . . . 34982 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34982 _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' 150 . mM 34982 1 pH 7.4 . pH 34982 1 pressure 1 . bar 34982 1 temperature 298 . K 34982 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34982 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34982 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34982 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34982 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34982 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34982 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34982 _Software.ID 3 _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' . . 34982 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34982 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34982 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34982 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34982 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34982 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34982 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34982 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34982 _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 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 700 . . . 34982 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 900 . . . 34982 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 600 . . . 34982 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 34982 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34982 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34982 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34982 1 4 '3D NOESY combined' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34982 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34982 _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 internal indirect 0.251 . . . . . 34982 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34982 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.1 . . . . . 34982 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34982 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 '3D HNCACB' . . . 34982 1 2 '3D CBCA(CO)NH' . . . 34982 1 3 '3D HCCH-TOCSY' . . . 34982 1 4 '3D NOESY combined' . . . 34982 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 5 5 LEU H H 1 8.879 0.020 . 1 . . . . A 80 LEU H . 34982 1 2 . 1 . 1 5 5 LEU HA H 1 5.129 0.020 . 1 . . . . A 80 LEU HA . 34982 1 3 . 1 . 1 5 5 LEU HB2 H 1 0.828 0.020 . 2 . . . . A 80 LEU HB2 . 34982 1 4 . 1 . 1 5 5 LEU HB3 H 1 1.370 0.020 . 2 . . . . A 80 LEU HB3 . 34982 1 5 . 1 . 1 5 5 LEU HG H 1 0.581 0.020 . 1 . . . . A 80 LEU HG . 34982 1 6 . 1 . 1 5 5 LEU HD11 H 1 0.851 0.020 . 2 . . . . A 80 LEU HD11 . 34982 1 7 . 1 . 1 5 5 LEU HD12 H 1 0.851 0.020 . 2 . . . . A 80 LEU HD12 . 34982 1 8 . 1 . 1 5 5 LEU HD13 H 1 0.851 0.020 . 2 . . . . A 80 LEU HD13 . 34982 1 9 . 1 . 1 5 5 LEU HD21 H 1 -0.014 0.020 . 2 . . . . A 80 LEU HD21 . 34982 1 10 . 1 . 1 5 5 LEU HD22 H 1 -0.014 0.020 . 2 . . . . A 80 LEU HD22 . 34982 1 11 . 1 . 1 5 5 LEU HD23 H 1 -0.014 0.020 . 2 . . . . A 80 LEU HD23 . 34982 1 12 . 1 . 1 5 5 LEU CA C 13 54.073 0.3 . 1 . . . . A 80 LEU CA . 34982 1 13 . 1 . 1 5 5 LEU CB C 13 45.053 0.3 . 1 . . . . A 80 LEU CB . 34982 1 14 . 1 . 1 5 5 LEU CG C 13 25.693 0.3 . 1 . . . . A 80 LEU CG . 34982 1 15 . 1 . 1 5 5 LEU CD1 C 13 24.195 0.3 . 1 . . . . A 80 LEU CD1 . 34982 1 16 . 1 . 1 5 5 LEU CD2 C 13 25.751 0.3 . 1 . . . . A 80 LEU CD2 . 34982 1 17 . 1 . 1 5 5 LEU N N 15 129.065 0.3 . 1 . . . . A 80 LEU N . 34982 1 18 . 1 . 1 7 7 GLY H H 1 8.398 0.020 . 1 . . . . A 7 GLY H . 34982 1 19 . 1 . 1 7 7 GLY HA2 H 1 3.702 0.020 . 2 . . . . A 7 GLY HA2 . 34982 1 20 . 1 . 1 7 7 GLY HA3 H 1 4.063 0.020 . 2 . . . . A 7 GLY HA3 . 34982 1 21 . 1 . 1 7 7 GLY CA C 13 47.497 0.3 . 1 . . . . A 7 GLY CA . 34982 1 22 . 1 . 1 7 7 GLY N N 15 110.787 0.3 . 1 . . . . A 7 GLY N . 34982 1 23 . 1 . 1 8 8 ASP H H 1 8.282 0.020 . 1 . . . . A 8 ASP H . 34982 1 24 . 1 . 1 8 8 ASP HA H 1 4.685 0.020 . 1 . . . . A 8 ASP HA . 34982 1 25 . 1 . 1 8 8 ASP HB2 H 1 2.594 0.020 . 2 . . . . A 8 ASP HB2 . 34982 1 26 . 1 . 1 8 8 ASP HB3 H 1 2.863 0.020 . 2 . . . . A 8 ASP HB3 . 34982 1 27 . 1 . 1 8 8 ASP CA C 13 54.628 0.3 . 1 . . . . A 8 ASP CA . 34982 1 28 . 1 . 1 8 8 ASP CB C 13 41.119 0.3 . 1 . . . . A 8 ASP CB . 34982 1 29 . 1 . 1 8 8 ASP N N 15 120.630 0.3 . 1 . . . . A 8 ASP N . 34982 1 30 . 1 . 1 42 42 GLY H H 1 8.018 0.020 . 1 . . . . A 42 GLY H . 34982 1 31 . 1 . 1 42 42 GLY HA2 H 1 3.073 0.020 . 2 . . . . A 42 GLY HA2 . 34982 1 32 . 1 . 1 42 42 GLY HA3 H 1 3.075 0.020 . 2 . . . . A 42 GLY HA3 . 34982 1 33 . 1 . 1 42 42 GLY CA C 13 43.807 0.3 . 1 . . . . A 42 GLY CA . 34982 1 34 . 1 . 1 42 42 GLY N N 15 112.653 0.3 . 1 . . . . A 42 GLY N . 34982 1 35 . 1 . 1 46 46 LYS H H 1 8.421 0.020 . 1 . . . . A 46 LYS H . 34982 1 36 . 1 . 1 46 46 LYS HA H 1 4.382 0.020 . 1 . . . . A 46 LYS HA . 34982 1 37 . 1 . 1 46 46 LYS HB2 H 1 1.464 0.020 . 2 . . . . A 46 LYS HB2 . 34982 1 38 . 1 . 1 46 46 LYS HB3 H 1 1.536 0.020 . 2 . . . . A 46 LYS HB3 . 34982 1 39 . 1 . 1 46 46 LYS HG2 H 1 1.153 0.020 . 2 . . . . A 46 LYS HG2 . 34982 1 40 . 1 . 1 46 46 LYS HG3 H 1 1.242 0.020 . 2 . . . . A 46 LYS HG3 . 34982 1 41 . 1 . 1 46 46 LYS HD2 H 1 1.608 0.020 . 2 . . . . A 46 LYS HD2 . 34982 1 42 . 1 . 1 46 46 LYS HD3 H 1 1.637 0.020 . 2 . . . . A 46 LYS HD3 . 34982 1 43 . 1 . 1 46 46 LYS HE2 H 1 2.825 0.020 . 2 . . . . A 46 LYS HE2 . 34982 1 44 . 1 . 1 46 46 LYS HE3 H 1 2.867 0.020 . 2 . . . . A 46 LYS HE3 . 34982 1 45 . 1 . 1 46 46 LYS CA C 13 55.180 0.3 . 1 . . . . A 46 LYS CA . 34982 1 46 . 1 . 1 46 46 LYS CB C 13 35.860 0.3 . 1 . . . . A 46 LYS CB . 34982 1 47 . 1 . 1 46 46 LYS CG C 13 24.134 0.3 . 1 . . . . A 46 LYS CG . 34982 1 48 . 1 . 1 46 46 LYS CD C 13 29.470 0.3 . 1 . . . . A 46 LYS CD . 34982 1 49 . 1 . 1 46 46 LYS CE C 13 42.088 0.3 . 1 . . . . A 46 LYS CE . 34982 1 50 . 1 . 1 46 46 LYS N N 15 122.655 0.3 . 1 . . . . A 46 LYS N . 34982 1 51 . 1 . 1 47 47 ARG H H 1 8.566 0.020 . 1 . . . . A 47 ARG H . 34982 1 52 . 1 . 1 47 47 ARG HA H 1 5.265 0.020 . 1 . . . . A 47 ARG HA . 34982 1 53 . 1 . 1 47 47 ARG HB2 H 1 1.792 0.020 . 2 . . . . A 47 ARG HB2 . 34982 1 54 . 1 . 1 47 47 ARG HB3 H 1 1.795 0.020 . 2 . . . . A 47 ARG HB3 . 34982 1 55 . 1 . 1 47 47 ARG HG2 H 1 1.671 0.020 . 2 . . . . A 47 ARG HG2 . 34982 1 56 . 1 . 1 47 47 ARG HG3 H 1 1.666 0.020 . 2 . . . . A 47 ARG HG3 . 34982 1 57 . 1 . 1 47 47 ARG HD2 H 1 3.239 0.020 . 2 . . . . A 47 ARG HD2 . 34982 1 58 . 1 . 1 47 47 ARG HD3 H 1 3.267 0.020 . 2 . . . . A 47 ARG HD3 . 34982 1 59 . 1 . 1 47 47 ARG CA C 13 55.542 0.3 . 1 . . . . A 47 ARG CA . 34982 1 60 . 1 . 1 47 47 ARG CB C 13 30.246 0.3 . 1 . . . . A 47 ARG CB . 34982 1 61 . 1 . 1 47 47 ARG CG C 13 27.462 0.3 . 1 . . . . A 47 ARG CG . 34982 1 62 . 1 . 1 47 47 ARG CD C 13 43.576 0.3 . 1 . . . . A 47 ARG CD . 34982 1 63 . 1 . 1 47 47 ARG N N 15 124.939 0.3 . 1 . . . . A 47 ARG N . 34982 1 64 . 1 . 1 48 48 VAL H H 1 7.683 0.020 . 1 . . . . A 48 VAL H . 34982 1 65 . 1 . 1 48 48 VAL HA H 1 4.515 0.020 . 1 . . . . A 48 VAL HA . 34982 1 66 . 1 . 1 48 48 VAL HB H 1 2.062 0.020 . 1 . . . . A 48 VAL HB . 34982 1 67 . 1 . 1 48 48 VAL HG11 H 1 0.732 0.020 . 2 . . . . A 48 VAL HG11 . 34982 1 68 . 1 . 1 48 48 VAL HG12 H 1 0.732 0.020 . 2 . . . . A 48 VAL HG12 . 34982 1 69 . 1 . 1 48 48 VAL HG13 H 1 0.732 0.020 . 2 . . . . A 48 VAL HG13 . 34982 1 70 . 1 . 1 48 48 VAL HG21 H 1 0.505 0.020 . 2 . . . . A 48 VAL HG21 . 34982 1 71 . 1 . 1 48 48 VAL HG22 H 1 0.505 0.020 . 2 . . . . A 48 VAL HG22 . 34982 1 72 . 1 . 1 48 48 VAL HG23 H 1 0.505 0.020 . 2 . . . . A 48 VAL HG23 . 34982 1 73 . 1 . 1 48 48 VAL CA C 13 59.301 0.3 . 1 . . . . A 48 VAL CA . 34982 1 74 . 1 . 1 48 48 VAL CB C 13 35.464 0.3 . 1 . . . . A 48 VAL CB . 34982 1 75 . 1 . 1 48 48 VAL CG1 C 13 21.594 0.3 . 1 . . . . A 48 VAL CG1 . 34982 1 76 . 1 . 1 48 48 VAL CG2 C 13 18.201 0.3 . 1 . . . . A 48 VAL CG2 . 34982 1 77 . 1 . 1 48 48 VAL N N 15 117.251 0.3 . 1 . . . . A 48 VAL N . 34982 1 78 . 1 . 1 49 49 ARG H H 1 8.632 0.020 . 1 . . . . A 49 ARG H . 34982 1 79 . 1 . 1 49 49 ARG HA H 1 4.844 0.020 . 1 . . . . A 49 ARG HA . 34982 1 80 . 1 . 1 49 49 ARG HB2 H 1 1.683 0.020 . 2 . . . . A 49 ARG HB2 . 34982 1 81 . 1 . 1 49 49 ARG HB3 H 1 1.841 0.020 . 2 . . . . A 49 ARG HB3 . 34982 1 82 . 1 . 1 49 49 ARG HG2 H 1 1.546 0.020 . 2 . . . . A 49 ARG HG2 . 34982 1 83 . 1 . 1 49 49 ARG HG3 H 1 1.687 0.020 . 2 . . . . A 49 ARG HG3 . 34982 1 84 . 1 . 1 49 49 ARG HD2 H 1 3.231 0.020 . 2 . . . . A 49 ARG HD2 . 34982 1 85 . 1 . 1 49 49 ARG HD3 H 1 3.257 0.020 . 2 . . . . A 49 ARG HD3 . 34982 1 86 . 1 . 1 49 49 ARG CA C 13 55.256 0.3 . 1 . . . . A 49 ARG CA . 34982 1 87 . 1 . 1 49 49 ARG CB C 13 30.683 0.3 . 1 . . . . A 49 ARG CB . 34982 1 88 . 1 . 1 49 49 ARG CG C 13 26.829 0.3 . 1 . . . . A 49 ARG CG . 34982 1 89 . 1 . 1 49 49 ARG CD C 13 43.236 0.3 . 1 . . . . A 49 ARG CD . 34982 1 90 . 1 . 1 49 49 ARG N N 15 120.829 0.3 . 1 . . . . A 49 ARG N . 34982 1 91 . 1 . 1 50 50 GLU H H 1 7.229 0.020 . 1 . . . . A 50 GLU H . 34982 1 92 . 1 . 1 50 50 GLU HA H 1 4.678 0.020 . 1 . . . . A 50 GLU HA . 34982 1 93 . 1 . 1 50 50 GLU HB2 H 1 2.066 0.020 . 2 . . . . A 50 GLU HB2 . 34982 1 94 . 1 . 1 50 50 GLU HB3 H 1 2.076 0.020 . 2 . . . . A 50 GLU HB3 . 34982 1 95 . 1 . 1 50 50 GLU HG2 H 1 1.807 0.020 . 2 . . . . A 50 GLU HG2 . 34982 1 96 . 1 . 1 50 50 GLU HG3 H 1 2.334 0.020 . 2 . . . . A 50 GLU HG3 . 34982 1 97 . 1 . 1 50 50 GLU CA C 13 55.391 0.3 . 1 . . . . A 50 GLU CA . 34982 1 98 . 1 . 1 50 50 GLU CB C 13 33.155 0.3 . 1 . . . . A 50 GLU CB . 34982 1 99 . 1 . 1 50 50 GLU CG C 13 35.918 0.3 . 1 . . . . A 50 GLU CG . 34982 1 100 . 1 . 1 50 50 GLU N N 15 120.465 0.3 . 1 . . . . A 50 GLU N . 34982 1 101 . 1 . 1 51 51 LYS H H 1 8.881 0.020 . 1 . . . . A 51 LYS H . 34982 1 102 . 1 . 1 51 51 LYS HA H 1 5.336 0.020 . 1 . . . . A 51 LYS HA . 34982 1 103 . 1 . 1 51 51 LYS HB2 H 1 1.498 0.020 . 2 . . . . A 51 LYS HB2 . 34982 1 104 . 1 . 1 51 51 LYS HB3 H 1 1.796 0.020 . 2 . . . . A 51 LYS HB3 . 34982 1 105 . 1 . 1 51 51 LYS HG2 H 1 0.749 0.020 . 2 . . . . A 51 LYS HG2 . 34982 1 106 . 1 . 1 51 51 LYS HG3 H 1 0.762 0.020 . 2 . . . . A 51 LYS HG3 . 34982 1 107 . 1 . 1 51 51 LYS HD2 H 1 1.225 0.020 . 2 . . . . A 51 LYS HD2 . 34982 1 108 . 1 . 1 51 51 LYS HD3 H 1 1.465 0.020 . 2 . . . . A 51 LYS HD3 . 34982 1 109 . 1 . 1 51 51 LYS HE2 H 1 3.180 0.020 . 2 . . . . A 51 LYS HE2 . 34982 1 110 . 1 . 1 51 51 LYS HE3 H 1 3.075 0.020 . 2 . . . . A 51 LYS HE3 . 34982 1 111 . 1 . 1 51 51 LYS CA C 13 56.045 0.3 . 1 . . . . A 51 LYS CA . 34982 1 112 . 1 . 1 51 51 LYS CB C 13 34.254 0.3 . 1 . . . . A 51 LYS CB . 34982 1 113 . 1 . 1 51 51 LYS CG C 13 24.871 0.3 . 1 . . . . A 51 LYS CG . 34982 1 114 . 1 . 1 51 51 LYS CD C 13 27.354 0.3 . 1 . . . . A 51 LYS CD . 34982 1 115 . 1 . 1 51 51 LYS CE C 13 43.966 0.3 . 1 . . . . A 51 LYS CE . 34982 1 116 . 1 . 1 51 51 LYS N N 15 123.112 0.3 . 1 . . . . A 51 LYS N . 34982 1 117 . 1 . 1 52 52 VAL H H 1 9.221 0.020 . 1 . . . . A 52 VAL H . 34982 1 118 . 1 . 1 52 52 VAL HA H 1 4.599 0.020 . 1 . . . . A 52 VAL HA . 34982 1 119 . 1 . 1 52 52 VAL HB H 1 1.678 0.020 . 1 . . . . A 52 VAL HB . 34982 1 120 . 1 . 1 52 52 VAL HG11 H 1 0.753 0.020 . 2 . . . . A 52 VAL HG11 . 34982 1 121 . 1 . 1 52 52 VAL HG12 H 1 0.753 0.020 . 2 . . . . A 52 VAL HG12 . 34982 1 122 . 1 . 1 52 52 VAL HG13 H 1 0.753 0.020 . 2 . . . . A 52 VAL HG13 . 34982 1 123 . 1 . 1 52 52 VAL HG21 H 1 0.699 0.020 . 2 . . . . A 52 VAL HG21 . 34982 1 124 . 1 . 1 52 52 VAL HG22 H 1 0.699 0.020 . 2 . . . . A 52 VAL HG22 . 34982 1 125 . 1 . 1 52 52 VAL HG23 H 1 0.699 0.020 . 2 . . . . A 52 VAL HG23 . 34982 1 126 . 1 . 1 52 52 VAL CA C 13 60.313 0.3 . 1 . . . . A 52 VAL CA . 34982 1 127 . 1 . 1 52 52 VAL CB C 13 36.821 0.3 . 1 . . . . A 52 VAL CB . 34982 1 128 . 1 . 1 52 52 VAL CG1 C 13 21.069 0.3 . 1 . . . . A 52 VAL CG1 . 34982 1 129 . 1 . 1 52 52 VAL CG2 C 13 20.768 0.3 . 1 . . . . A 52 VAL CG2 . 34982 1 130 . 1 . 1 52 52 VAL N N 15 119.449 0.3 . 1 . . . . A 52 VAL N . 34982 1 131 . 1 . 1 55 55 VAL H H 1 9.153 0.020 . 1 . . . . A 55 VAL H . 34982 1 132 . 1 . 1 55 55 VAL HA H 1 4.567 0.020 . 1 . . . . A 55 VAL HA . 34982 1 133 . 1 . 1 55 55 VAL HB H 1 2.091 0.020 . 1 . . . . A 55 VAL HB . 34982 1 134 . 1 . 1 55 55 VAL HG11 H 1 0.852 0.020 . 2 . . . . A 55 VAL HG11 . 34982 1 135 . 1 . 1 55 55 VAL HG12 H 1 0.852 0.020 . 2 . . . . A 55 VAL HG12 . 34982 1 136 . 1 . 1 55 55 VAL HG13 H 1 0.852 0.020 . 2 . . . . A 55 VAL HG13 . 34982 1 137 . 1 . 1 55 55 VAL HG21 H 1 0.404 0.020 . 2 . . . . A 55 VAL HG21 . 34982 1 138 . 1 . 1 55 55 VAL HG22 H 1 0.404 0.020 . 2 . . . . A 55 VAL HG22 . 34982 1 139 . 1 . 1 55 55 VAL HG23 H 1 0.404 0.020 . 2 . . . . A 55 VAL HG23 . 34982 1 140 . 1 . 1 55 55 VAL CA C 13 64.786 0.3 . 1 . . . . A 55 VAL CA . 34982 1 141 . 1 . 1 55 55 VAL CB C 13 31.310 0.3 . 1 . . . . A 55 VAL CB . 34982 1 142 . 1 . 1 55 55 VAL CG1 C 13 20.765 0.3 . 1 . . . . A 55 VAL CG1 . 34982 1 143 . 1 . 1 55 55 VAL CG2 C 13 21.259 0.3 . 1 . . . . A 55 VAL CG2 . 34982 1 144 . 1 . 1 55 55 VAL N N 15 128.740 0.3 . 1 . . . . A 55 VAL N . 34982 1 145 . 1 . 1 56 56 LEU H H 1 9.147 0.020 . 1 . . . . A 56 LEU H . 34982 1 146 . 1 . 1 56 56 LEU HA H 1 5.284 0.020 . 1 . . . . A 56 LEU HA . 34982 1 147 . 1 . 1 56 56 LEU HB2 H 1 1.215 0.020 . 2 . . . . A 56 LEU HB2 . 34982 1 148 . 1 . 1 56 56 LEU HB3 H 1 2.100 0.020 . 2 . . . . A 56 LEU HB3 . 34982 1 149 . 1 . 1 56 56 LEU HG H 1 1.103 0.020 . 1 . . . . A 56 LEU HG . 34982 1 150 . 1 . 1 56 56 LEU HD11 H 1 1.086 0.020 . 2 . . . . A 56 LEU HD11 . 34982 1 151 . 1 . 1 56 56 LEU HD12 H 1 1.086 0.020 . 2 . . . . A 56 LEU HD12 . 34982 1 152 . 1 . 1 56 56 LEU HD13 H 1 1.086 0.020 . 2 . . . . A 56 LEU HD13 . 34982 1 153 . 1 . 1 56 56 LEU HD21 H 1 0.859 0.020 . 2 . . . . A 56 LEU HD21 . 34982 1 154 . 1 . 1 56 56 LEU HD22 H 1 0.859 0.020 . 2 . . . . A 56 LEU HD22 . 34982 1 155 . 1 . 1 56 56 LEU HD23 H 1 0.859 0.020 . 2 . . . . A 56 LEU HD23 . 34982 1 156 . 1 . 1 56 56 LEU CA C 13 52.378 0.3 . 1 . . . . A 56 LEU CA . 34982 1 157 . 1 . 1 56 56 LEU CB C 13 43.881 0.3 . 1 . . . . A 56 LEU CB . 34982 1 158 . 1 . 1 56 56 LEU CG C 13 26.651 0.3 . 1 . . . . A 56 LEU CG . 34982 1 159 . 1 . 1 56 56 LEU CD1 C 13 21.474 0.3 . 1 . . . . A 56 LEU CD1 . 34982 1 160 . 1 . 1 56 56 LEU CD2 C 13 23.039 0.3 . 1 . . . . A 56 LEU CD2 . 34982 1 161 . 1 . 1 56 56 LEU N N 15 128.711 0.3 . 1 . . . . A 56 LEU N . 34982 1 162 . 1 . 1 57 57 TYR H H 1 8.798 0.020 . 1 . . . . A 57 TYR H . 34982 1 163 . 1 . 1 57 57 TYR HA H 1 4.620 0.020 . 1 . . . . A 57 TYR HA . 34982 1 164 . 1 . 1 57 57 TYR HB2 H 1 2.876 0.020 . 2 . . . . A 57 TYR HB2 . 34982 1 165 . 1 . 1 57 57 TYR HB3 H 1 3.204 0.020 . 2 . . . . A 57 TYR HB3 . 34982 1 166 . 1 . 1 57 57 TYR HD1 H 1 7.196 0.020 . 3 . . . . A 57 TYR HD1 . 34982 1 167 . 1 . 1 57 57 TYR HD2 H 1 7.200 0.020 . 3 . . . . A 57 TYR HD2 . 34982 1 168 . 1 . 1 57 57 TYR HE1 H 1 6.699 0.020 . 3 . . . . A 57 TYR HE1 . 34982 1 169 . 1 . 1 57 57 TYR HE2 H 1 6.686 0.020 . 3 . . . . A 57 TYR HE2 . 34982 1 170 . 1 . 1 57 57 TYR CA C 13 59.567 0.3 . 1 . . . . A 57 TYR CA . 34982 1 171 . 1 . 1 57 57 TYR CB C 13 38.749 0.3 . 1 . . . . A 57 TYR CB . 34982 1 172 . 1 . 1 57 57 TYR CD1 C 13 132.748 0.3 . 1 . . . . A 57 TYR CD1 . 34982 1 173 . 1 . 1 57 57 TYR CE1 C 13 117.889 0.3 . 1 . . . . A 57 TYR CE1 . 34982 1 174 . 1 . 1 57 57 TYR N N 15 127.110 0.3 . 1 . . . . A 57 TYR N . 34982 1 175 . 1 . 1 58 58 ARG H H 1 7.972 0.020 . 1 . . . . A 58 ARG H . 34982 1 176 . 1 . 1 58 58 ARG HA H 1 5.192 0.020 . 1 . . . . A 58 ARG HA . 34982 1 177 . 1 . 1 58 58 ARG HB2 H 1 1.996 0.020 . 2 . . . . A 58 ARG HB2 . 34982 1 178 . 1 . 1 58 58 ARG HB3 H 1 1.561 0.020 . 2 . . . . A 58 ARG HB3 . 34982 1 179 . 1 . 1 58 58 ARG HG2 H 1 1.550 0.020 . 2 . . . . A 58 ARG HG2 . 34982 1 180 . 1 . 1 58 58 ARG HG3 H 1 1.496 0.020 . 2 . . . . A 58 ARG HG3 . 34982 1 181 . 1 . 1 58 58 ARG HD2 H 1 3.066 0.020 . 2 . . . . A 58 ARG HD2 . 34982 1 182 . 1 . 1 58 58 ARG HD3 H 1 3.214 0.020 . 2 . . . . A 58 ARG HD3 . 34982 1 183 . 1 . 1 58 58 ARG CA C 13 55.292 0.3 . 1 . . . . A 58 ARG CA . 34982 1 184 . 1 . 1 58 58 ARG CB C 13 32.140 0.3 . 1 . . . . A 58 ARG CB . 34982 1 185 . 1 . 1 58 58 ARG CG C 13 26.557 0.3 . 1 . . . . A 58 ARG CG . 34982 1 186 . 1 . 1 58 58 ARG CD C 13 43.206 0.3 . 1 . . . . A 58 ARG CD . 34982 1 187 . 1 . 1 58 58 ARG N N 15 121.601 0.3 . 1 . . . . A 58 ARG N . 34982 1 188 . 1 . 1 59 59 SER H H 1 8.632 0.020 . 1 . . . . A 59 SER H . 34982 1 189 . 1 . 1 59 59 SER HA H 1 4.649 0.020 . 1 . . . . A 59 SER HA . 34982 1 190 . 1 . 1 59 59 SER HB2 H 1 3.943 0.020 . 2 . . . . A 59 SER HB2 . 34982 1 191 . 1 . 1 59 59 SER HB3 H 1 4.089 0.020 . 2 . . . . A 59 SER HB3 . 34982 1 192 . 1 . 1 59 59 SER CA C 13 57.465 0.3 . 1 . . . . A 59 SER CA . 34982 1 193 . 1 . 1 59 59 SER CB C 13 64.510 0.3 . 1 . . . . A 59 SER CB . 34982 1 194 . 1 . 1 59 59 SER N N 15 117.740 0.3 . 1 . . . . A 59 SER N . 34982 1 195 . 1 . 1 60 60 ALA H H 1 8.746 0.020 . 1 . . . . A 60 ALA H . 34982 1 196 . 1 . 1 60 60 ALA HA H 1 4.310 0.020 . 1 . . . . A 60 ALA HA . 34982 1 197 . 1 . 1 60 60 ALA HB1 H 1 1.469 0.020 . 1 . . . . A 60 ALA HB1 . 34982 1 198 . 1 . 1 60 60 ALA HB2 H 1 1.469 0.020 . 1 . . . . A 60 ALA HB2 . 34982 1 199 . 1 . 1 60 60 ALA HB3 H 1 1.469 0.020 . 1 . . . . A 60 ALA HB3 . 34982 1 200 . 1 . 1 60 60 ALA CA C 13 53.654 0.3 . 1 . . . . A 60 ALA CA . 34982 1 201 . 1 . 1 60 60 ALA CB C 13 18.577 0.3 . 1 . . . . A 60 ALA CB . 34982 1 202 . 1 . 1 60 60 ALA N N 15 126.998 0.3 . 1 . . . . A 60 ALA N . 34982 1 203 . 1 . 1 61 61 LYS H H 1 8.239 0.020 . 1 . . . . A 61 LYS H . 34982 1 204 . 1 . 1 61 61 LYS HA H 1 4.307 0.020 . 1 . . . . A 61 LYS HA . 34982 1 205 . 1 . 1 61 61 LYS HB2 H 1 1.772 0.020 . 2 . . . . A 61 LYS HB2 . 34982 1 206 . 1 . 1 61 61 LYS HB3 H 1 1.930 0.020 . 2 . . . . A 61 LYS HB3 . 34982 1 207 . 1 . 1 61 61 LYS HG2 H 1 1.419 0.020 . 2 . . . . A 61 LYS HG2 . 34982 1 208 . 1 . 1 61 61 LYS HG3 H 1 1.472 0.020 . 2 . . . . A 61 LYS HG3 . 34982 1 209 . 1 . 1 61 61 LYS HD2 H 1 1.694 0.020 . 2 . . . . A 61 LYS HD2 . 34982 1 210 . 1 . 1 61 61 LYS HD3 H 1 1.701 0.020 . 2 . . . . A 61 LYS HD3 . 34982 1 211 . 1 . 1 61 61 LYS HE2 H 1 3.030 0.020 . 2 . . . . A 61 LYS HE2 . 34982 1 212 . 1 . 1 61 61 LYS HE3 H 1 3.059 0.020 . 2 . . . . A 61 LYS HE3 . 34982 1 213 . 1 . 1 61 61 LYS CA C 13 56.343 0.3 . 1 . . . . A 61 LYS CA . 34982 1 214 . 1 . 1 61 61 LYS CB C 13 32.445 0.3 . 1 . . . . A 61 LYS CB . 34982 1 215 . 1 . 1 61 61 LYS CG C 13 24.722 0.3 . 1 . . . . A 61 LYS CG . 34982 1 216 . 1 . 1 61 61 LYS CD C 13 29.221 0.3 . 1 . . . . A 61 LYS CD . 34982 1 217 . 1 . 1 61 61 LYS CE C 13 42.301 0.3 . 1 . . . . A 61 LYS CE . 34982 1 218 . 1 . 1 61 61 LYS N N 15 117.536 0.3 . 1 . . . . A 61 LYS N . 34982 1 219 . 1 . 1 62 62 GLY H H 1 8.073 0.020 . 1 . . . . A 62 GLY H . 34982 1 220 . 1 . 1 62 62 GLY HA2 H 1 4.012 0.020 . 2 . . . . A 62 GLY HA2 . 34982 1 221 . 1 . 1 62 62 GLY HA3 H 1 3.983 0.020 . 2 . . . . A 62 GLY HA3 . 34982 1 222 . 1 . 1 62 62 GLY CA C 13 45.203 0.3 . 1 . . . . A 62 GLY CA . 34982 1 223 . 1 . 1 62 62 GLY N N 15 108.500 0.3 . 1 . . . . A 62 GLY N . 34982 1 224 . 1 . 1 63 63 GLY H H 1 8.165 0.020 . 1 . . . . A 63 GLY H . 34982 1 225 . 1 . 1 63 63 GLY HA2 H 1 3.954 0.020 . 2 . . . . A 63 GLY HA2 . 34982 1 226 . 1 . 1 63 63 GLY HA3 H 1 4.046 0.020 . 2 . . . . A 63 GLY HA3 . 34982 1 227 . 1 . 1 63 63 GLY CA C 13 44.477 0.3 . 1 . . . . A 63 GLY CA . 34982 1 228 . 1 . 1 63 63 GLY N N 15 108.450 0.3 . 1 . . . . A 63 GLY N . 34982 1 229 . 1 . 1 64 64 GLU H H 1 8.523 0.020 . 1 . . . . A 64 GLU H . 34982 1 230 . 1 . 1 64 64 GLU HA H 1 4.504 0.020 . 1 . . . . A 64 GLU HA . 34982 1 231 . 1 . 1 64 64 GLU HB2 H 1 1.882 0.020 . 2 . . . . A 64 GLU HB2 . 34982 1 232 . 1 . 1 64 64 GLU HB3 H 1 2.011 0.020 . 2 . . . . A 64 GLU HB3 . 34982 1 233 . 1 . 1 64 64 GLU HG2 H 1 2.294 0.020 . 2 . . . . A 64 GLU HG2 . 34982 1 234 . 1 . 1 64 64 GLU HG3 H 1 2.305 0.020 . 2 . . . . A 64 GLU HG3 . 34982 1 235 . 1 . 1 64 64 GLU CA C 13 54.220 0.3 . 1 . . . . A 64 GLU CA . 34982 1 236 . 1 . 1 64 64 GLU CB C 13 29.402 0.3 . 1 . . . . A 64 GLU CB . 34982 1 237 . 1 . 1 64 64 GLU CG C 13 35.744 0.3 . 1 . . . . A 64 GLU CG . 34982 1 238 . 1 . 1 64 64 GLU N N 15 122.301 0.3 . 1 . . . . A 64 GLU N . 34982 1 239 . 1 . 1 65 65 PRO HA H 1 4.444 0.020 . 1 . . . . A 65 PRO HA . 34982 1 240 . 1 . 1 65 65 PRO HB2 H 1 2.157 0.020 . 2 . . . . A 65 PRO HB2 . 34982 1 241 . 1 . 1 65 65 PRO HB3 H 1 1.808 0.020 . 2 . . . . A 65 PRO HB3 . 34982 1 242 . 1 . 1 65 65 PRO HG2 H 1 1.930 0.020 . 2 . . . . A 65 PRO HG2 . 34982 1 243 . 1 . 1 65 65 PRO HG3 H 1 1.873 0.020 . 2 . . . . A 65 PRO HG3 . 34982 1 244 . 1 . 1 65 65 PRO HD2 H 1 3.798 0.020 . 2 . . . . A 65 PRO HD2 . 34982 1 245 . 1 . 1 65 65 PRO HD3 H 1 3.700 0.020 . 2 . . . . A 65 PRO HD3 . 34982 1 246 . 1 . 1 65 65 PRO CA C 13 62.519 0.3 . 1 . . . . A 65 PRO CA . 34982 1 247 . 1 . 1 65 65 PRO CB C 13 31.845 0.3 . 1 . . . . A 65 PRO CB . 34982 1 248 . 1 . 1 65 65 PRO CG C 13 26.957 0.3 . 1 . . . . A 65 PRO CG . 34982 1 249 . 1 . 1 65 65 PRO CD C 13 50.395 0.3 . 1 . . . . A 65 PRO CD . 34982 1 250 . 1 . 1 66 66 VAL H H 1 8.283 0.020 . 1 . . . . A 66 VAL H . 34982 1 251 . 1 . 1 66 66 VAL HA H 1 3.834 0.020 . 1 . . . . A 66 VAL HA . 34982 1 252 . 1 . 1 66 66 VAL HB H 1 1.809 0.020 . 1 . . . . A 66 VAL HB . 34982 1 253 . 1 . 1 66 66 VAL HG11 H 1 0.625 0.020 . 2 . . . . A 66 VAL HG11 . 34982 1 254 . 1 . 1 66 66 VAL HG12 H 1 0.625 0.020 . 2 . . . . A 66 VAL HG12 . 34982 1 255 . 1 . 1 66 66 VAL HG13 H 1 0.625 0.020 . 2 . . . . A 66 VAL HG13 . 34982 1 256 . 1 . 1 66 66 VAL HG21 H 1 0.887 0.020 . 2 . . . . A 66 VAL HG21 . 34982 1 257 . 1 . 1 66 66 VAL HG22 H 1 0.887 0.020 . 2 . . . . A 66 VAL HG22 . 34982 1 258 . 1 . 1 66 66 VAL HG23 H 1 0.887 0.020 . 2 . . . . A 66 VAL HG23 . 34982 1 259 . 1 . 1 66 66 VAL CA C 13 62.384 0.3 . 1 . . . . A 66 VAL CA . 34982 1 260 . 1 . 1 66 66 VAL CB C 13 31.803 0.3 . 1 . . . . A 66 VAL CB . 34982 1 261 . 1 . 1 66 66 VAL CG1 C 13 20.753 0.3 . 1 . . . . A 66 VAL CG1 . 34982 1 262 . 1 . 1 66 66 VAL CG2 C 13 20.986 0.3 . 1 . . . . A 66 VAL CG2 . 34982 1 263 . 1 . 1 66 66 VAL N N 15 122.281 0.3 . 1 . . . . A 66 VAL N . 34982 1 264 . 1 . 1 67 67 LEU H H 1 8.282 0.020 . 1 . . . . A 67 LEU H . 34982 1 265 . 1 . 1 67 67 LEU HA H 1 4.374 0.020 . 1 . . . . A 67 LEU HA . 34982 1 266 . 1 . 1 67 67 LEU HB2 H 1 1.451 0.020 . 2 . . . . A 67 LEU HB2 . 34982 1 267 . 1 . 1 67 67 LEU HB3 H 1 1.439 0.020 . 2 . . . . A 67 LEU HB3 . 34982 1 268 . 1 . 1 67 67 LEU HG H 1 1.568 0.020 . 1 . . . . A 67 LEU HG . 34982 1 269 . 1 . 1 67 67 LEU HD11 H 1 0.752 0.020 . 2 . . . . A 67 LEU HD11 . 34982 1 270 . 1 . 1 67 67 LEU HD12 H 1 0.752 0.020 . 2 . . . . A 67 LEU HD12 . 34982 1 271 . 1 . 1 67 67 LEU HD13 H 1 0.752 0.020 . 2 . . . . A 67 LEU HD13 . 34982 1 272 . 1 . 1 67 67 LEU HD21 H 1 0.864 0.020 . 2 . . . . A 67 LEU HD21 . 34982 1 273 . 1 . 1 67 67 LEU HD22 H 1 0.864 0.020 . 2 . . . . A 67 LEU HD22 . 34982 1 274 . 1 . 1 67 67 LEU HD23 H 1 0.864 0.020 . 2 . . . . A 67 LEU HD23 . 34982 1 275 . 1 . 1 67 67 LEU CA C 13 54.085 0.3 . 1 . . . . A 67 LEU CA . 34982 1 276 . 1 . 1 67 67 LEU CB C 13 42.611 0.3 . 1 . . . . A 67 LEU CB . 34982 1 277 . 1 . 1 67 67 LEU CG C 13 26.521 0.3 . 1 . . . . A 67 LEU CG . 34982 1 278 . 1 . 1 67 67 LEU CD1 C 13 23.948 0.3 . 1 . . . . A 67 LEU CD1 . 34982 1 279 . 1 . 1 67 67 LEU CD2 C 13 25.073 0.3 . 1 . . . . A 67 LEU CD2 . 34982 1 280 . 1 . 1 67 67 LEU N N 15 128.288 0.3 . 1 . . . . A 67 LEU N . 34982 1 281 . 1 . 1 68 68 TYR H H 1 7.812 0.020 . 1 . . . . A 68 TYR H . 34982 1 282 . 1 . 1 68 68 TYR HA H 1 4.686 0.020 . 1 . . . . A 68 TYR HA . 34982 1 283 . 1 . 1 68 68 TYR HB2 H 1 2.396 0.020 . 2 . . . . A 68 TYR HB2 . 34982 1 284 . 1 . 1 68 68 TYR HB3 H 1 3.602 0.020 . 2 . . . . A 68 TYR HB3 . 34982 1 285 . 1 . 1 68 68 TYR HD1 H 1 6.783 0.020 . 1 . . . . A 68 TYR HD1 . 34982 1 286 . 1 . 1 68 68 TYR HE1 H 1 6.616 0.020 . 1 . . . . A 68 TYR HE1 . 34982 1 287 . 1 . 1 68 68 TYR CA C 13 58.403 0.3 . 1 . . . . A 68 TYR CA . 34982 1 288 . 1 . 1 68 68 TYR CB C 13 38.293 0.3 . 1 . . . . A 68 TYR CB . 34982 1 289 . 1 . 1 68 68 TYR CD1 C 13 132.751 0.3 . 1 . . . . A 68 TYR CD1 . 34982 1 290 . 1 . 1 68 68 TYR CE1 C 13 117.709 0.3 . 1 . . . . A 68 TYR CE1 . 34982 1 291 . 1 . 1 68 68 TYR N N 15 122.904 0.3 . 1 . . . . A 68 TYR N . 34982 1 292 . 1 . 1 69 69 ARG H H 1 9.067 0.020 . 1 . . . . A 69 ARG H . 34982 1 293 . 1 . 1 69 69 ARG HA H 1 4.782 0.020 . 1 . . . . A 69 ARG HA . 34982 1 294 . 1 . 1 69 69 ARG HB2 H 1 1.834 0.020 . 2 . . . . A 69 ARG HB2 . 34982 1 295 . 1 . 1 69 69 ARG HB3 H 1 1.816 0.020 . 2 . . . . A 69 ARG HB3 . 34982 1 296 . 1 . 1 69 69 ARG HG2 H 1 1.711 0.020 . 2 . . . . A 69 ARG HG2 . 34982 1 297 . 1 . 1 69 69 ARG HG3 H 1 1.685 0.020 . 2 . . . . A 69 ARG HG3 . 34982 1 298 . 1 . 1 69 69 ARG HD2 H 1 3.274 0.020 . 2 . . . . A 69 ARG HD2 . 34982 1 299 . 1 . 1 69 69 ARG HD3 H 1 3.280 0.020 . 2 . . . . A 69 ARG HD3 . 34982 1 300 . 1 . 1 69 69 ARG CA C 13 53.939 0.3 . 1 . . . . A 69 ARG CA . 34982 1 301 . 1 . 1 69 69 ARG CB C 13 34.623 0.3 . 1 . . . . A 69 ARG CB . 34982 1 302 . 1 . 1 69 69 ARG CG C 13 26.600 0.3 . 1 . . . . A 69 ARG CG . 34982 1 303 . 1 . 1 69 69 ARG CD C 13 43.374 0.3 . 1 . . . . A 69 ARG CD . 34982 1 304 . 1 . 1 69 69 ARG N N 15 117.520 0.3 . 1 . . . . A 69 ARG N . 34982 1 305 . 1 . 1 70 70 TYR H H 1 8.652 0.020 . 1 . . . . A 70 TYR H . 34982 1 306 . 1 . 1 70 70 TYR HA H 1 3.773 0.020 . 1 . . . . A 70 TYR HA . 34982 1 307 . 1 . 1 70 70 TYR HB2 H 1 2.813 0.020 . 2 . . . . A 70 TYR HB2 . 34982 1 308 . 1 . 1 70 70 TYR HB3 H 1 2.875 0.020 . 2 . . . . A 70 TYR HB3 . 34982 1 309 . 1 . 1 70 70 TYR HD1 H 1 6.808 0.020 . 3 . . . . A 70 TYR HD1 . 34982 1 310 . 1 . 1 70 70 TYR HD2 H 1 6.788 0.020 . 3 . . . . A 70 TYR HD2 . 34982 1 311 . 1 . 1 70 70 TYR HE1 H 1 6.846 0.020 . 3 . . . . A 70 TYR HE1 . 34982 1 312 . 1 . 1 70 70 TYR HE2 H 1 7.143 0.020 . 3 . . . . A 70 TYR HE2 . 34982 1 313 . 1 . 1 70 70 TYR CA C 13 59.964 0.3 . 1 . . . . A 70 TYR CA . 34982 1 314 . 1 . 1 70 70 TYR CB C 13 38.748 0.3 . 1 . . . . A 70 TYR CB . 34982 1 315 . 1 . 1 70 70 TYR CD1 C 13 132.762 0.3 . 1 . . . . A 70 TYR CD1 . 34982 1 316 . 1 . 1 70 70 TYR CE1 C 13 118.020 0.3 . 1 . . . . A 70 TYR CE1 . 34982 1 317 . 1 . 1 70 70 TYR N N 15 119.656 0.3 . 1 . . . . A 70 TYR N . 34982 1 318 . 1 . 1 71 71 GLY H H 1 8.760 0.020 . 1 . . . . A 71 GLY H . 34982 1 319 . 1 . 1 71 71 GLY HA2 H 1 3.082 0.020 . 2 . . . . A 71 GLY HA2 . 34982 1 320 . 1 . 1 71 71 GLY HA3 H 1 4.214 0.020 . 2 . . . . A 71 GLY HA3 . 34982 1 321 . 1 . 1 71 71 GLY CA C 13 44.691 0.3 . 1 . . . . A 71 GLY CA . 34982 1 322 . 1 . 1 71 71 GLY N N 15 117.906 0.3 . 1 . . . . A 71 GLY N . 34982 1 323 . 1 . 1 72 72 ASP H H 1 8.387 0.020 . 1 . . . . A 72 ASP H . 34982 1 324 . 1 . 1 72 72 ASP HA H 1 4.792 0.020 . 1 . . . . A 72 ASP HA . 34982 1 325 . 1 . 1 72 72 ASP HB2 H 1 2.225 0.020 . 2 . . . . A 72 ASP HB2 . 34982 1 326 . 1 . 1 72 72 ASP HB3 H 1 2.941 0.020 . 2 . . . . A 72 ASP HB3 . 34982 1 327 . 1 . 1 72 72 ASP CA C 13 55.585 0.3 . 1 . . . . A 72 ASP CA . 34982 1 328 . 1 . 1 72 72 ASP CB C 13 40.770 0.3 . 1 . . . . A 72 ASP CB . 34982 1 329 . 1 . 1 72 72 ASP N N 15 121.655 0.3 . 1 . . . . A 72 ASP N . 34982 1 330 . 1 . 1 73 73 VAL H H 1 8.721 0.020 . 1 . . . . A 73 VAL H . 34982 1 331 . 1 . 1 73 73 VAL HA H 1 4.335 0.020 . 1 . . . . A 73 VAL HA . 34982 1 332 . 1 . 1 73 73 VAL HB H 1 1.680 0.020 . 1 . . . . A 73 VAL HB . 34982 1 333 . 1 . 1 73 73 VAL HG11 H 1 0.817 0.020 . 2 . . . . A 73 VAL HG11 . 34982 1 334 . 1 . 1 73 73 VAL HG12 H 1 0.817 0.020 . 2 . . . . A 73 VAL HG12 . 34982 1 335 . 1 . 1 73 73 VAL HG13 H 1 0.817 0.020 . 2 . . . . A 73 VAL HG13 . 34982 1 336 . 1 . 1 73 73 VAL HG21 H 1 0.672 0.020 . 2 . . . . A 73 VAL HG21 . 34982 1 337 . 1 . 1 73 73 VAL HG22 H 1 0.672 0.020 . 2 . . . . A 73 VAL HG22 . 34982 1 338 . 1 . 1 73 73 VAL HG23 H 1 0.672 0.020 . 2 . . . . A 73 VAL HG23 . 34982 1 339 . 1 . 1 73 73 VAL CA C 13 61.567 0.3 . 1 . . . . A 73 VAL CA . 34982 1 340 . 1 . 1 73 73 VAL CB C 13 31.267 0.3 . 1 . . . . A 73 VAL CB . 34982 1 341 . 1 . 1 73 73 VAL CG1 C 13 20.660 0.3 . 1 . . . . A 73 VAL CG1 . 34982 1 342 . 1 . 1 73 73 VAL CG2 C 13 21.227 0.3 . 1 . . . . A 73 VAL CG2 . 34982 1 343 . 1 . 1 73 73 VAL N N 15 122.842 0.3 . 1 . . . . A 73 VAL N . 34982 1 344 . 1 . 1 74 74 LEU H H 1 8.940 0.020 . 1 . . . . A 74 LEU H . 34982 1 345 . 1 . 1 74 74 LEU HA H 1 5.100 0.020 . 1 . . . . A 74 LEU HA . 34982 1 346 . 1 . 1 74 74 LEU HB2 H 1 0.829 0.020 . 2 . . . . A 74 LEU HB2 . 34982 1 347 . 1 . 1 74 74 LEU HB3 H 1 1.279 0.020 . 2 . . . . A 74 LEU HB3 . 34982 1 348 . 1 . 1 74 74 LEU HG H 1 1.219 0.020 . 1 . . . . A 74 LEU HG . 34982 1 349 . 1 . 1 74 74 LEU HD11 H 1 -0.015 0.020 . 2 . . . . A 74 LEU HD11 . 34982 1 350 . 1 . 1 74 74 LEU HD12 H 1 -0.015 0.020 . 2 . . . . A 74 LEU HD12 . 34982 1 351 . 1 . 1 74 74 LEU HD13 H 1 -0.015 0.020 . 2 . . . . A 74 LEU HD13 . 34982 1 352 . 1 . 1 74 74 LEU HD21 H 1 -0.124 0.020 . 2 . . . . A 74 LEU HD21 . 34982 1 353 . 1 . 1 74 74 LEU HD22 H 1 -0.124 0.020 . 2 . . . . A 74 LEU HD22 . 34982 1 354 . 1 . 1 74 74 LEU HD23 H 1 -0.124 0.020 . 2 . . . . A 74 LEU HD23 . 34982 1 355 . 1 . 1 74 74 LEU CA C 13 52.201 0.3 . 1 . . . . A 74 LEU CA . 34982 1 356 . 1 . 1 74 74 LEU CB C 13 44.633 0.3 . 1 . . . . A 74 LEU CB . 34982 1 357 . 1 . 1 74 74 LEU CG C 13 25.946 0.3 . 1 . . . . A 74 LEU CG . 34982 1 358 . 1 . 1 74 74 LEU CD1 C 13 23.967 0.3 . 1 . . . . A 74 LEU CD1 . 34982 1 359 . 1 . 1 74 74 LEU CD2 C 13 20.958 0.3 . 1 . . . . A 74 LEU CD2 . 34982 1 360 . 1 . 1 74 74 LEU N N 15 126.214 0.3 . 1 . . . . A 74 LEU N . 34982 1 361 . 1 . 1 75 75 ARG H H 1 9.029 0.020 . 1 . . . . A 75 ARG H . 34982 1 362 . 1 . 1 75 75 ARG HA H 1 5.300 0.020 . 1 . . . . A 75 ARG HA . 34982 1 363 . 1 . 1 75 75 ARG HB2 H 1 1.492 0.020 . 2 . . . . A 75 ARG HB2 . 34982 1 364 . 1 . 1 75 75 ARG HB3 H 1 1.743 0.020 . 2 . . . . A 75 ARG HB3 . 34982 1 365 . 1 . 1 75 75 ARG HG2 H 1 1.291 0.020 . 2 . . . . A 75 ARG HG2 . 34982 1 366 . 1 . 1 75 75 ARG HG3 H 1 1.307 0.020 . 2 . . . . A 75 ARG HG3 . 34982 1 367 . 1 . 1 75 75 ARG HD2 H 1 3.086 0.020 . 2 . . . . A 75 ARG HD2 . 34982 1 368 . 1 . 1 75 75 ARG HD3 H 1 3.077 0.020 . 2 . . . . A 75 ARG HD3 . 34982 1 369 . 1 . 1 75 75 ARG HE H 1 9.243 0.020 . 1 . . . . A 75 ARG HE . 34982 1 370 . 1 . 1 75 75 ARG CA C 13 54.445 0.3 . 1 . . . . A 75 ARG CA . 34982 1 371 . 1 . 1 75 75 ARG CB C 13 32.556 0.3 . 1 . . . . A 75 ARG CB . 34982 1 372 . 1 . 1 75 75 ARG CG C 13 26.963 0.3 . 1 . . . . A 75 ARG CG . 34982 1 373 . 1 . 1 75 75 ARG CD C 13 43.621 0.3 . 1 . . . . A 75 ARG CD . 34982 1 374 . 1 . 1 75 75 ARG N N 15 121.504 0.3 . 1 . . . . A 75 ARG N . 34982 1 375 . 1 . 1 76 76 VAL H H 1 9.756 0.020 . 1 . . . . A 76 VAL H . 34982 1 376 . 1 . 1 76 76 VAL HA H 1 4.872 0.020 . 1 . . . . A 76 VAL HA . 34982 1 377 . 1 . 1 76 76 VAL HB H 1 1.968 0.020 . 1 . . . . A 76 VAL HB . 34982 1 378 . 1 . 1 76 76 VAL HG11 H 1 0.883 0.020 . 2 . . . . A 76 VAL HG11 . 34982 1 379 . 1 . 1 76 76 VAL HG12 H 1 0.883 0.020 . 2 . . . . A 76 VAL HG12 . 34982 1 380 . 1 . 1 76 76 VAL HG13 H 1 0.883 0.020 . 2 . . . . A 76 VAL HG13 . 34982 1 381 . 1 . 1 76 76 VAL HG21 H 1 0.760 0.020 . 2 . . . . A 76 VAL HG21 . 34982 1 382 . 1 . 1 76 76 VAL HG22 H 1 0.760 0.020 . 2 . . . . A 76 VAL HG22 . 34982 1 383 . 1 . 1 76 76 VAL HG23 H 1 0.760 0.020 . 2 . . . . A 76 VAL HG23 . 34982 1 384 . 1 . 1 76 76 VAL CA C 13 60.344 0.3 . 1 . . . . A 76 VAL CA . 34982 1 385 . 1 . 1 76 76 VAL CB C 13 34.210 0.3 . 1 . . . . A 76 VAL CB . 34982 1 386 . 1 . 1 76 76 VAL CG1 C 13 21.849 0.3 . 1 . . . . A 76 VAL CG1 . 34982 1 387 . 1 . 1 76 76 VAL CG2 C 13 20.565 0.3 . 1 . . . . A 76 VAL CG2 . 34982 1 388 . 1 . 1 76 76 VAL N N 15 128.820 0.3 . 1 . . . . A 76 VAL N . 34982 1 389 . 1 . 1 77 77 HIS H H 1 8.907 0.020 . 1 . . . . A 77 HIS H . 34982 1 390 . 1 . 1 77 77 HIS HA H 1 5.858 0.020 . 1 . . . . A 77 HIS HA . 34982 1 391 . 1 . 1 77 77 HIS HB2 H 1 3.139 0.020 . 2 . . . . A 77 HIS HB2 . 34982 1 392 . 1 . 1 77 77 HIS HB3 H 1 2.996 0.020 . 2 . . . . A 77 HIS HB3 . 34982 1 393 . 1 . 1 77 77 HIS HD2 H 1 7.019 0.020 . 1 . . . . A 77 HIS HD2 . 34982 1 394 . 1 . 1 77 77 HIS HE1 H 1 7.689 0.020 . 1 . . . . A 77 HIS HE1 . 34982 1 395 . 1 . 1 77 77 HIS CA C 13 54.337 0.3 . 1 . . . . A 77 HIS CA . 34982 1 396 . 1 . 1 77 77 HIS CB C 13 30.920 0.3 . 1 . . . . A 77 HIS CB . 34982 1 397 . 1 . 1 77 77 HIS CD2 C 13 122.785 0.3 . 1 . . . . A 77 HIS CD2 . 34982 1 398 . 1 . 1 77 77 HIS CE1 C 13 137.369 0.3 . 1 . . . . A 77 HIS CE1 . 34982 1 399 . 1 . 1 77 77 HIS N N 15 127.788 0.3 . 1 . . . . A 77 HIS N . 34982 1 400 . 1 . 1 78 78 GLY H H 1 8.608 0.020 . 1 . . . . A 78 GLY H . 34982 1 401 . 1 . 1 78 78 GLY HA2 H 1 3.975 0.020 . 2 . . . . A 78 GLY HA2 . 34982 1 402 . 1 . 1 78 78 GLY HA3 H 1 3.976 0.020 . 2 . . . . A 78 GLY HA3 . 34982 1 403 . 1 . 1 78 78 GLY CA C 13 46.098 0.3 . 1 . . . . A 78 GLY CA . 34982 1 404 . 1 . 1 78 78 GLY N N 15 111.595 0.3 . 1 . . . . A 78 GLY N . 34982 1 405 . 1 . 1 79 79 GLN H H 1 8.331 0.020 . 1 . . . . A 79 GLN H . 34982 1 406 . 1 . 1 79 79 GLN HA H 1 4.704 0.020 . 1 . . . . A 79 GLN HA . 34982 1 407 . 1 . 1 79 79 GLN HB2 H 1 1.562 0.020 . 2 . . . . A 79 GLN HB2 . 34982 1 408 . 1 . 1 79 79 GLN HB3 H 1 1.420 0.020 . 2 . . . . A 79 GLN HB3 . 34982 1 409 . 1 . 1 79 79 GLN HG2 H 1 1.437 0.020 . 2 . . . . A 79 GLN HG2 . 34982 1 410 . 1 . 1 79 79 GLN HG3 H 1 1.409 0.020 . 2 . . . . A 79 GLN HG3 . 34982 1 411 . 1 . 1 79 79 GLN CA C 13 53.493 0.3 . 1 . . . . A 79 GLN CA . 34982 1 412 . 1 . 1 79 79 GLN CB C 13 31.452 0.3 . 1 . . . . A 79 GLN CB . 34982 1 413 . 1 . 1 79 79 GLN CG C 13 33.162 0.3 . 1 . . . . A 79 GLN CG . 34982 1 414 . 1 . 1 79 79 GLN N N 15 117.944 0.3 . 1 . . . . A 79 GLN N . 34982 1 415 . 1 . 1 89 89 PRO HA H 1 4.311 0.020 . 1 . . . . A 89 PRO HA . 34982 1 416 . 1 . 1 89 89 PRO HB2 H 1 2.180 0.020 . 2 . . . . A 89 PRO HB2 . 34982 1 417 . 1 . 1 89 89 PRO HB3 H 1 2.558 0.020 . 2 . . . . A 89 PRO HB3 . 34982 1 418 . 1 . 1 89 89 PRO HG2 H 1 2.164 0.020 . 2 . . . . A 89 PRO HG2 . 34982 1 419 . 1 . 1 89 89 PRO HG3 H 1 2.089 0.020 . 2 . . . . A 89 PRO HG3 . 34982 1 420 . 1 . 1 89 89 PRO HD2 H 1 4.076 0.020 . 2 . . . . A 89 PRO HD2 . 34982 1 421 . 1 . 1 89 89 PRO HD3 H 1 4.079 0.020 . 2 . . . . A 89 PRO HD3 . 34982 1 422 . 1 . 1 89 89 PRO CA C 13 64.964 0.3 . 1 . . . . A 89 PRO CA . 34982 1 423 . 1 . 1 89 89 PRO CB C 13 32.416 0.3 . 1 . . . . A 89 PRO CB . 34982 1 424 . 1 . 1 89 89 PRO CG C 13 27.322 0.3 . 1 . . . . A 89 PRO CG . 34982 1 425 . 1 . 1 89 89 PRO CD C 13 51.015 0.3 . 1 . . . . A 89 PRO CD . 34982 1 426 . 1 . 1 90 90 GLY H H 1 9.172 0.020 . 1 . . . . A 90 GLY H . 34982 1 427 . 1 . 1 90 90 GLY HA2 H 1 3.949 0.020 . 2 . . . . A 90 GLY HA2 . 34982 1 428 . 1 . 1 90 90 GLY HA3 H 1 4.025 0.020 . 2 . . . . A 90 GLY HA3 . 34982 1 429 . 1 . 1 90 90 GLY CA C 13 47.514 0.3 . 1 . . . . A 90 GLY CA . 34982 1 430 . 1 . 1 90 90 GLY N N 15 117.571 0.3 . 1 . . . . A 90 GLY N . 34982 1 431 . 1 . 1 91 91 GLU H H 1 8.950 0.020 . 1 . . . . A 91 GLU H . 34982 1 432 . 1 . 1 91 91 GLU HA H 1 4.236 0.020 . 1 . . . . A 91 GLU HA . 34982 1 433 . 1 . 1 91 91 GLU HB2 H 1 1.870 0.020 . 2 . . . . A 91 GLU HB2 . 34982 1 434 . 1 . 1 91 91 GLU HB3 H 1 1.971 0.020 . 2 . . . . A 91 GLU HB3 . 34982 1 435 . 1 . 1 91 91 GLU HG2 H 1 2.253 0.020 . 2 . . . . A 91 GLU HG2 . 34982 1 436 . 1 . 1 91 91 GLU HG3 H 1 2.269 0.020 . 2 . . . . A 91 GLU HG3 . 34982 1 437 . 1 . 1 91 91 GLU CA C 13 54.829 0.3 . 1 . . . . A 91 GLU CA . 34982 1 438 . 1 . 1 91 91 GLU CB C 13 41.215 0.3 . 1 . . . . A 91 GLU CB . 34982 1 439 . 1 . 1 91 91 GLU CG C 13 35.980 0.3 . 1 . . . . A 91 GLU CG . 34982 1 440 . 1 . 1 91 91 GLU N N 15 126.897 0.3 . 1 . . . . A 91 GLU N . 34982 1 441 . 1 . 1 92 92 LEU H H 1 8.143 0.020 . 1 . . . . A 92 LEU H . 34982 1 442 . 1 . 1 92 92 LEU HA H 1 4.571 0.020 . 1 . . . . A 92 LEU HA . 34982 1 443 . 1 . 1 92 92 LEU HB2 H 1 1.580 0.020 . 2 . . . . A 92 LEU HB2 . 34982 1 444 . 1 . 1 92 92 LEU HB3 H 1 1.465 0.020 . 2 . . . . A 92 LEU HB3 . 34982 1 445 . 1 . 1 92 92 LEU HG H 1 1.447 0.020 . 1 . . . . A 92 LEU HG . 34982 1 446 . 1 . 1 92 92 LEU HD11 H 1 0.750 0.020 . 2 . . . . A 92 LEU HD11 . 34982 1 447 . 1 . 1 92 92 LEU HD12 H 1 0.750 0.020 . 2 . . . . A 92 LEU HD12 . 34982 1 448 . 1 . 1 92 92 LEU HD13 H 1 0.750 0.020 . 2 . . . . A 92 LEU HD13 . 34982 1 449 . 1 . 1 92 92 LEU HD21 H 1 0.699 0.020 . 2 . . . . A 92 LEU HD21 . 34982 1 450 . 1 . 1 92 92 LEU HD22 H 1 0.699 0.020 . 2 . . . . A 92 LEU HD22 . 34982 1 451 . 1 . 1 92 92 LEU HD23 H 1 0.699 0.020 . 2 . . . . A 92 LEU HD23 . 34982 1 452 . 1 . 1 92 92 LEU CA C 13 57.632 0.3 . 1 . . . . A 92 LEU CA . 34982 1 453 . 1 . 1 92 92 LEU CB C 13 39.184 0.3 . 1 . . . . A 92 LEU CB . 34982 1 454 . 1 . 1 92 92 LEU CG C 13 27.768 0.3 . 1 . . . . A 92 LEU CG . 34982 1 455 . 1 . 1 92 92 LEU CD1 C 13 23.662 0.3 . 1 . . . . A 92 LEU CD1 . 34982 1 456 . 1 . 1 92 92 LEU CD2 C 13 24.717 0.3 . 1 . . . . A 92 LEU CD2 . 34982 1 457 . 1 . 1 92 92 LEU N N 15 122.034 0.3 . 1 . . . . A 92 LEU N . 34982 1 458 . 1 . 1 93 93 ASP H H 1 8.147 0.020 . 1 . . . . A 93 ASP H . 34982 1 459 . 1 . 1 93 93 ASP HA H 1 4.358 0.020 . 1 . . . . A 93 ASP HA . 34982 1 460 . 1 . 1 93 93 ASP HB2 H 1 1.695 0.020 . 2 . . . . A 93 ASP HB2 . 34982 1 461 . 1 . 1 93 93 ASP HB3 H 1 1.925 0.020 . 2 . . . . A 93 ASP HB3 . 34982 1 462 . 1 . 1 93 93 ASP HD2 H 1 3.258 0.020 . 1 . . . . A 93 ASP HD2 . 34982 1 463 . 1 . 1 93 93 ASP CA C 13 56.290 0.3 . 1 . . . . A 93 ASP CA . 34982 1 464 . 1 . 1 93 93 ASP CB C 13 30.949 0.3 . 1 . . . . A 93 ASP CB . 34982 1 465 . 1 . 1 93 93 ASP CG C 13 27.699 0.3 . 1 . . . . A 93 ASP CG . 34982 1 466 . 1 . 1 93 93 ASP N N 15 126.259 0.3 . 1 . . . . A 93 ASP N . 34982 1 467 . 1 . 1 107 107 MET H H 1 8.803 0.020 . 1 . . . . A 107 MET H . 34982 1 468 . 1 . 1 107 107 MET HA H 1 4.547 0.020 . 1 . . . . A 107 MET HA . 34982 1 469 . 1 . 1 107 107 MET HB2 H 1 1.936 0.020 . 2 . . . . A 107 MET HB2 . 34982 1 470 . 1 . 1 107 107 MET HB3 H 1 1.778 0.020 . 2 . . . . A 107 MET HB3 . 34982 1 471 . 1 . 1 107 107 MET HG2 H 1 2.252 0.020 . 2 . . . . A 107 MET HG2 . 34982 1 472 . 1 . 1 107 107 MET HG3 H 1 2.224 0.020 . 2 . . . . A 107 MET HG3 . 34982 1 473 . 1 . 1 107 107 MET HE1 H 1 1.660 0.020 . 1 . . . . A 107 MET HE1 . 34982 1 474 . 1 . 1 107 107 MET HE2 H 1 1.660 0.020 . 1 . . . . A 107 MET HE2 . 34982 1 475 . 1 . 1 107 107 MET HE3 H 1 1.660 0.020 . 1 . . . . A 107 MET HE3 . 34982 1 476 . 1 . 1 107 107 MET CA C 13 54.460 0.3 . 1 . . . . A 107 MET CA . 34982 1 477 . 1 . 1 107 107 MET CB C 13 36.870 0.3 . 1 . . . . A 107 MET CB . 34982 1 478 . 1 . 1 107 107 MET CG C 13 32.174 0.3 . 1 . . . . A 107 MET CG . 34982 1 479 . 1 . 1 107 107 MET CE C 13 16.744 0.3 . 1 . . . . A 107 MET CE . 34982 1 480 . 1 . 1 107 107 MET N N 15 119.670 0.3 . 1 . . . . A 107 MET N . 34982 1 481 . 1 . 1 108 108 LEU H H 1 9.223 0.020 . 1 . . . . A 108 LEU H . 34982 1 482 . 1 . 1 108 108 LEU HA H 1 4.980 0.020 . 1 . . . . A 108 LEU HA . 34982 1 483 . 1 . 1 108 108 LEU HB2 H 1 1.909 0.020 . 2 . . . . A 108 LEU HB2 . 34982 1 484 . 1 . 1 108 108 LEU HB3 H 1 1.594 0.020 . 2 . . . . A 108 LEU HB3 . 34982 1 485 . 1 . 1 108 108 LEU HG H 1 1.707 0.020 . 1 . . . . A 108 LEU HG . 34982 1 486 . 1 . 1 108 108 LEU HD11 H 1 0.927 0.020 . 2 . . . . A 108 LEU HD11 . 34982 1 487 . 1 . 1 108 108 LEU HD12 H 1 0.927 0.020 . 2 . . . . A 108 LEU HD12 . 34982 1 488 . 1 . 1 108 108 LEU HD13 H 1 0.927 0.020 . 2 . . . . A 108 LEU HD13 . 34982 1 489 . 1 . 1 108 108 LEU HD21 H 1 0.861 0.020 . 2 . . . . A 108 LEU HD21 . 34982 1 490 . 1 . 1 108 108 LEU HD22 H 1 0.861 0.020 . 2 . . . . A 108 LEU HD22 . 34982 1 491 . 1 . 1 108 108 LEU HD23 H 1 0.861 0.020 . 2 . . . . A 108 LEU HD23 . 34982 1 492 . 1 . 1 108 108 LEU CA C 13 54.336 0.3 . 1 . . . . A 108 LEU CA . 34982 1 493 . 1 . 1 108 108 LEU CB C 13 41.450 0.3 . 1 . . . . A 108 LEU CB . 34982 1 494 . 1 . 1 108 108 LEU CG C 13 27.458 0.3 . 1 . . . . A 108 LEU CG . 34982 1 495 . 1 . 1 108 108 LEU CD1 C 13 24.735 0.3 . 1 . . . . A 108 LEU CD1 . 34982 1 496 . 1 . 1 108 108 LEU CD2 C 13 23.322 0.3 . 1 . . . . A 108 LEU CD2 . 34982 1 497 . 1 . 1 108 108 LEU N N 15 126.295 0.3 . 1 . . . . A 108 LEU N . 34982 1 498 . 1 . 1 109 109 ILE H H 1 9.541 0.020 . 1 . . . . A 109 ILE H . 34982 1 499 . 1 . 1 109 109 ILE HA H 1 4.758 0.020 . 1 . . . . A 109 ILE HA . 34982 1 500 . 1 . 1 109 109 ILE HB H 1 2.222 0.020 . 1 . . . . A 109 ILE HB . 34982 1 501 . 1 . 1 109 109 ILE HG12 H 1 1.413 0.020 . 2 . . . . A 109 ILE HG12 . 34982 1 502 . 1 . 1 109 109 ILE HG13 H 1 1.221 0.020 . 2 . . . . A 109 ILE HG13 . 34982 1 503 . 1 . 1 109 109 ILE HG21 H 1 1.082 0.020 . 1 . . . . A 109 ILE HG21 . 34982 1 504 . 1 . 1 109 109 ILE HG22 H 1 1.082 0.020 . 1 . . . . A 109 ILE HG22 . 34982 1 505 . 1 . 1 109 109 ILE HG23 H 1 1.082 0.020 . 1 . . . . A 109 ILE HG23 . 34982 1 506 . 1 . 1 109 109 ILE HD11 H 1 0.826 0.020 . 1 . . . . A 109 ILE HD11 . 34982 1 507 . 1 . 1 109 109 ILE HD12 H 1 0.826 0.020 . 1 . . . . A 109 ILE HD12 . 34982 1 508 . 1 . 1 109 109 ILE HD13 H 1 0.826 0.020 . 1 . . . . A 109 ILE HD13 . 34982 1 509 . 1 . 1 109 109 ILE CA C 13 58.610 0.3 . 1 . . . . A 109 ILE CA . 34982 1 510 . 1 . 1 109 109 ILE CB C 13 39.222 0.3 . 1 . . . . A 109 ILE CB . 34982 1 511 . 1 . 1 109 109 ILE CG1 C 13 26.698 0.3 . 1 . . . . A 109 ILE CG1 . 34982 1 512 . 1 . 1 109 109 ILE CG2 C 13 19.530 0.3 . 1 . . . . A 109 ILE CG2 . 34982 1 513 . 1 . 1 109 109 ILE CD1 C 13 11.708 0.3 . 1 . . . . A 109 ILE CD1 . 34982 1 514 . 1 . 1 109 109 ILE N N 15 125.040 0.3 . 1 . . . . A 109 ILE N . 34982 1 515 . 1 . 1 112 112 PRO HA H 1 4.300 0.020 . 1 . . . . A 112 PRO HA . 34982 1 516 . 1 . 1 112 112 PRO HB2 H 1 2.158 0.020 . 2 . . . . A 112 PRO HB2 . 34982 1 517 . 1 . 1 112 112 PRO HB3 H 1 2.545 0.020 . 2 . . . . A 112 PRO HB3 . 34982 1 518 . 1 . 1 112 112 PRO HG2 H 1 1.805 0.020 . 2 . . . . A 112 PRO HG2 . 34982 1 519 . 1 . 1 112 112 PRO HG3 H 1 2.127 0.020 . 2 . . . . A 112 PRO HG3 . 34982 1 520 . 1 . 1 112 112 PRO HD2 H 1 4.030 0.020 . 2 . . . . A 112 PRO HD2 . 34982 1 521 . 1 . 1 112 112 PRO HD3 H 1 4.071 0.020 . 2 . . . . A 112 PRO HD3 . 34982 1 522 . 1 . 1 112 112 PRO CA C 13 64.684 0.3 . 1 . . . . A 112 PRO CA . 34982 1 523 . 1 . 1 112 112 PRO CB C 13 32.238 0.3 . 1 . . . . A 112 PRO CB . 34982 1 524 . 1 . 1 112 112 PRO CG C 13 27.556 0.3 . 1 . . . . A 112 PRO CG . 34982 1 525 . 1 . 1 112 112 PRO CD C 13 51.156 0.3 . 1 . . . . A 112 PRO CD . 34982 1 526 . 1 . 1 113 113 ARG H H 1 8.024 0.020 . 1 . . . . A 113 ARG H . 34982 1 527 . 1 . 1 113 113 ARG HA H 1 4.365 0.020 . 1 . . . . A 113 ARG HA . 34982 1 528 . 1 . 1 113 113 ARG HB2 H 1 1.986 0.020 . 2 . . . . A 113 ARG HB2 . 34982 1 529 . 1 . 1 113 113 ARG HB3 H 1 1.809 0.020 . 2 . . . . A 113 ARG HB3 . 34982 1 530 . 1 . 1 113 113 ARG HG2 H 1 1.720 0.020 . 2 . . . . A 113 ARG HG2 . 34982 1 531 . 1 . 1 113 113 ARG HG3 H 1 1.761 0.020 . 2 . . . . A 113 ARG HG3 . 34982 1 532 . 1 . 1 113 113 ARG HD2 H 1 3.273 0.020 . 2 . . . . A 113 ARG HD2 . 34982 1 533 . 1 . 1 113 113 ARG HD3 H 1 3.265 0.020 . 2 . . . . A 113 ARG HD3 . 34982 1 534 . 1 . 1 113 113 ARG CA C 13 56.917 0.3 . 1 . . . . A 113 ARG CA . 34982 1 535 . 1 . 1 113 113 ARG CB C 13 29.088 0.3 . 1 . . . . A 113 ARG CB . 34982 1 536 . 1 . 1 113 113 ARG CG C 13 27.535 0.3 . 1 . . . . A 113 ARG CG . 34982 1 537 . 1 . 1 113 113 ARG CD C 13 43.037 0.3 . 1 . . . . A 113 ARG CD . 34982 1 538 . 1 . 1 113 113 ARG N N 15 115.034 0.3 . 1 . . . . A 113 ARG N . 34982 1 539 . 1 . 1 114 114 ALA H H 1 8.019 0.020 . 1 . . . . A 114 ALA H . 34982 1 540 . 1 . 1 114 114 ALA HA H 1 4.430 0.020 . 1 . . . . A 114 ALA HA . 34982 1 541 . 1 . 1 114 114 ALA HB1 H 1 2.029 0.020 . 1 . . . . A 114 ALA HB1 . 34982 1 542 . 1 . 1 114 114 ALA HB2 H 1 2.029 0.020 . 1 . . . . A 114 ALA HB2 . 34982 1 543 . 1 . 1 114 114 ALA HB3 H 1 2.029 0.020 . 1 . . . . A 114 ALA HB3 . 34982 1 544 . 1 . 1 114 114 ALA CA C 13 53.167 0.3 . 1 . . . . A 114 ALA CA . 34982 1 545 . 1 . 1 114 114 ALA CB C 13 19.102 0.3 . 1 . . . . A 114 ALA CB . 34982 1 546 . 1 . 1 114 114 ALA N N 15 121.002 0.3 . 1 . . . . A 114 ALA N . 34982 1 547 . 1 . 1 115 115 ILE H H 1 7.570 0.020 . 1 . . . . A 115 ILE H . 34982 1 548 . 1 . 1 115 115 ILE HA H 1 4.795 0.020 . 1 . . . . A 115 ILE HA . 34982 1 549 . 1 . 1 115 115 ILE HB H 1 1.930 0.020 . 1 . . . . A 115 ILE HB . 34982 1 550 . 1 . 1 115 115 ILE HG12 H 1 1.667 0.020 . 2 . . . . A 115 ILE HG12 . 34982 1 551 . 1 . 1 115 115 ILE HG13 H 1 1.684 0.020 . 2 . . . . A 115 ILE HG13 . 34982 1 552 . 1 . 1 115 115 ILE HG21 H 1 0.582 0.020 . 1 . . . . A 115 ILE HG21 . 34982 1 553 . 1 . 1 115 115 ILE HG22 H 1 0.582 0.020 . 1 . . . . A 115 ILE HG22 . 34982 1 554 . 1 . 1 115 115 ILE HG23 H 1 0.582 0.020 . 1 . . . . A 115 ILE HG23 . 34982 1 555 . 1 . 1 115 115 ILE HD11 H 1 0.908 0.020 . 1 . . . . A 115 ILE HD11 . 34982 1 556 . 1 . 1 115 115 ILE HD12 H 1 0.908 0.020 . 1 . . . . A 115 ILE HD12 . 34982 1 557 . 1 . 1 115 115 ILE HD13 H 1 0.908 0.020 . 1 . . . . A 115 ILE HD13 . 34982 1 558 . 1 . 1 115 115 ILE CA C 13 60.654 0.3 . 1 . . . . A 115 ILE CA . 34982 1 559 . 1 . 1 115 115 ILE CB C 13 39.985 0.3 . 1 . . . . A 115 ILE CB . 34982 1 560 . 1 . 1 115 115 ILE CG1 C 13 27.558 0.3 . 1 . . . . A 115 ILE CG1 . 34982 1 561 . 1 . 1 115 115 ILE CG2 C 13 19.336 0.3 . 1 . . . . A 115 ILE CG2 . 34982 1 562 . 1 . 1 115 115 ILE CD1 C 13 14.258 0.3 . 1 . . . . A 115 ILE CD1 . 34982 1 563 . 1 . 1 115 115 ILE N N 15 117.917 0.3 . 1 . . . . A 115 ILE N . 34982 1 564 . 1 . 1 116 116 VAL H H 1 8.653 0.020 . 1 . . . . A 116 VAL H . 34982 1 565 . 1 . 1 116 116 VAL HA H 1 4.390 0.020 . 1 . . . . A 116 VAL HA . 34982 1 566 . 1 . 1 116 116 VAL HB H 1 1.915 0.020 . 1 . . . . A 116 VAL HB . 34982 1 567 . 1 . 1 116 116 VAL HG11 H 1 0.898 0.020 . 2 . . . . A 116 VAL HG11 . 34982 1 568 . 1 . 1 116 116 VAL HG12 H 1 0.898 0.020 . 2 . . . . A 116 VAL HG12 . 34982 1 569 . 1 . 1 116 116 VAL HG13 H 1 0.898 0.020 . 2 . . . . A 116 VAL HG13 . 34982 1 570 . 1 . 1 116 116 VAL HG21 H 1 0.861 0.020 . 2 . . . . A 116 VAL HG21 . 34982 1 571 . 1 . 1 116 116 VAL HG22 H 1 0.861 0.020 . 2 . . . . A 116 VAL HG22 . 34982 1 572 . 1 . 1 116 116 VAL HG23 H 1 0.861 0.020 . 2 . . . . A 116 VAL HG23 . 34982 1 573 . 1 . 1 116 116 VAL CA C 13 59.891 0.3 . 1 . . . . A 116 VAL CA . 34982 1 574 . 1 . 1 116 116 VAL CB C 13 35.561 0.3 . 1 . . . . A 116 VAL CB . 34982 1 575 . 1 . 1 116 116 VAL CG1 C 13 20.763 0.3 . 1 . . . . A 116 VAL CG1 . 34982 1 576 . 1 . 1 116 116 VAL CG2 C 13 20.787 0.3 . 1 . . . . A 116 VAL CG2 . 34982 1 577 . 1 . 1 116 116 VAL N N 15 123.800 0.3 . 1 . . . . A 116 VAL N . 34982 1 578 . 1 . 1 117 117 LYS H H 1 8.567 0.020 . 1 . . . . A 117 LYS H . 34982 1 579 . 1 . 1 117 117 LYS HA H 1 4.703 0.020 . 1 . . . . A 117 LYS HA . 34982 1 580 . 1 . 1 117 117 LYS HB2 H 1 1.490 0.020 . 2 . . . . A 117 LYS HB2 . 34982 1 581 . 1 . 1 117 117 LYS HB3 H 1 1.875 0.020 . 2 . . . . A 117 LYS HB3 . 34982 1 582 . 1 . 1 117 117 LYS HG2 H 1 1.466 0.020 . 2 . . . . A 117 LYS HG2 . 34982 1 583 . 1 . 1 117 117 LYS HG3 H 1 1.167 0.020 . 2 . . . . A 117 LYS HG3 . 34982 1 584 . 1 . 1 117 117 LYS HD2 H 1 1.705 0.020 . 2 . . . . A 117 LYS HD2 . 34982 1 585 . 1 . 1 117 117 LYS HD3 H 1 1.730 0.020 . 2 . . . . A 117 LYS HD3 . 34982 1 586 . 1 . 1 117 117 LYS HE2 H 1 2.894 0.020 . 2 . . . . A 117 LYS HE2 . 34982 1 587 . 1 . 1 117 117 LYS HE3 H 1 2.895 0.020 . 2 . . . . A 117 LYS HE3 . 34982 1 588 . 1 . 1 117 117 LYS CA C 13 55.430 0.3 . 1 . . . . A 117 LYS CA . 34982 1 589 . 1 . 1 117 117 LYS CB C 13 33.433 0.3 . 1 . . . . A 117 LYS CB . 34982 1 590 . 1 . 1 117 117 LYS CG C 13 25.931 0.3 . 1 . . . . A 117 LYS CG . 34982 1 591 . 1 . 1 117 117 LYS CD C 13 29.862 0.3 . 1 . . . . A 117 LYS CD . 34982 1 592 . 1 . 1 117 117 LYS CE C 13 41.954 0.3 . 1 . . . . A 117 LYS CE . 34982 1 593 . 1 . 1 117 117 LYS N N 15 125.812 0.3 . 1 . . . . A 117 LYS N . 34982 1 594 . 1 . 1 118 118 LEU H H 1 9.250 0.020 . 1 . . . . A 118 LEU H . 34982 1 595 . 1 . 1 118 118 LEU HA H 1 4.399 0.020 . 1 . . . . A 118 LEU HA . 34982 1 596 . 1 . 1 118 118 LEU HB2 H 1 1.386 0.020 . 2 . . . . A 118 LEU HB2 . 34982 1 597 . 1 . 1 118 118 LEU HB3 H 1 1.512 0.020 . 2 . . . . A 118 LEU HB3 . 34982 1 598 . 1 . 1 118 118 LEU HG H 1 1.509 0.020 . 1 . . . . A 118 LEU HG . 34982 1 599 . 1 . 1 118 118 LEU HD11 H 1 0.782 0.020 . 2 . . . . A 118 LEU HD11 . 34982 1 600 . 1 . 1 118 118 LEU HD12 H 1 0.782 0.020 . 2 . . . . A 118 LEU HD12 . 34982 1 601 . 1 . 1 118 118 LEU HD13 H 1 0.782 0.020 . 2 . . . . A 118 LEU HD13 . 34982 1 602 . 1 . 1 118 118 LEU HD21 H 1 0.707 0.020 . 2 . . . . A 118 LEU HD21 . 34982 1 603 . 1 . 1 118 118 LEU HD22 H 1 0.707 0.020 . 2 . . . . A 118 LEU HD22 . 34982 1 604 . 1 . 1 118 118 LEU HD23 H 1 0.707 0.020 . 2 . . . . A 118 LEU HD23 . 34982 1 605 . 1 . 1 118 118 LEU CA C 13 54.583 0.3 . 1 . . . . A 118 LEU CA . 34982 1 606 . 1 . 1 118 118 LEU CB C 13 42.616 0.3 . 1 . . . . A 118 LEU CB . 34982 1 607 . 1 . 1 118 118 LEU CG C 13 26.226 0.3 . 1 . . . . A 118 LEU CG . 34982 1 608 . 1 . 1 118 118 LEU CD1 C 13 25.994 0.3 . 1 . . . . A 118 LEU CD1 . 34982 1 609 . 1 . 1 118 118 LEU CD2 C 13 21.961 0.3 . 1 . . . . A 118 LEU CD2 . 34982 1 610 . 1 . 1 118 118 LEU N N 15 128.211 0.3 . 1 . . . . A 118 LEU N . 34982 1 611 . 1 . 1 119 119 GLY H H 1 7.577 0.020 . 1 . . . . A 119 GLY H . 34982 1 612 . 1 . 1 119 119 GLY HA2 H 1 4.030 0.020 . 2 . . . . A 119 GLY HA2 . 34982 1 613 . 1 . 1 119 119 GLY HA3 H 1 4.263 0.020 . 2 . . . . A 119 GLY HA3 . 34982 1 614 . 1 . 1 119 119 GLY CA C 13 44.813 0.3 . 1 . . . . A 119 GLY CA . 34982 1 615 . 1 . 1 119 119 GLY N N 15 106.164 0.3 . 1 . . . . A 119 GLY N . 34982 1 616 . 1 . 1 120 120 THR H H 1 8.388 0.020 . 1 . . . . A 120 THR H . 34982 1 617 . 1 . 1 120 120 THR HA H 1 5.055 0.020 . 1 . . . . A 120 THR HA . 34982 1 618 . 1 . 1 120 120 THR HB H 1 4.038 0.020 . 1 . . . . A 120 THR HB . 34982 1 619 . 1 . 1 120 120 THR HG21 H 1 1.240 0.020 . 1 . . . . A 120 THR HG21 . 34982 1 620 . 1 . 1 120 120 THR HG22 H 1 1.240 0.020 . 1 . . . . A 120 THR HG22 . 34982 1 621 . 1 . 1 120 120 THR HG23 H 1 1.240 0.020 . 1 . . . . A 120 THR HG23 . 34982 1 622 . 1 . 1 120 120 THR CA C 13 60.730 0.3 . 1 . . . . A 120 THR CA . 34982 1 623 . 1 . 1 120 120 THR CB C 13 71.567 0.3 . 1 . . . . A 120 THR CB . 34982 1 624 . 1 . 1 120 120 THR CG2 C 13 21.632 0.3 . 1 . . . . A 120 THR CG2 . 34982 1 625 . 1 . 1 120 120 THR N N 15 113.721 0.3 . 1 . . . . A 120 THR N . 34982 1 626 . 1 . 1 121 121 GLU H H 1 9.038 0.020 . 1 . . . . A 121 GLU H . 34982 1 627 . 1 . 1 121 121 GLU HA H 1 4.728 0.020 . 1 . . . . A 121 GLU HA . 34982 1 628 . 1 . 1 121 121 GLU HB2 H 1 1.779 0.020 . 2 . . . . A 121 GLU HB2 . 34982 1 629 . 1 . 1 121 121 GLU HB3 H 1 1.956 0.020 . 2 . . . . A 121 GLU HB3 . 34982 1 630 . 1 . 1 121 121 GLU HG2 H 1 2.211 0.020 . 2 . . . . A 121 GLU HG2 . 34982 1 631 . 1 . 1 121 121 GLU HG3 H 1 2.210 0.020 . 2 . . . . A 121 GLU HG3 . 34982 1 632 . 1 . 1 121 121 GLU CA C 13 53.784 0.3 . 1 . . . . A 121 GLU CA . 34982 1 633 . 1 . 1 121 121 GLU CB C 13 30.503 0.3 . 1 . . . . A 121 GLU CB . 34982 1 634 . 1 . 1 121 121 GLU CG C 13 35.945 0.3 . 1 . . . . A 121 GLU CG . 34982 1 635 . 1 . 1 121 121 GLU N N 15 126.031 0.3 . 1 . . . . A 121 GLU N . 34982 1 636 . 1 . 1 122 122 PRO HA H 1 4.446 0.020 . 1 . . . . A 122 PRO HA . 34982 1 637 . 1 . 1 122 122 PRO HB2 H 1 1.937 0.020 . 2 . . . . A 122 PRO HB2 . 34982 1 638 . 1 . 1 122 122 PRO HB3 H 1 2.297 0.020 . 2 . . . . A 122 PRO HB3 . 34982 1 639 . 1 . 1 122 122 PRO HG2 H 1 2.038 0.020 . 2 . . . . A 122 PRO HG2 . 34982 1 640 . 1 . 1 122 122 PRO HG3 H 1 2.009 0.020 . 2 . . . . A 122 PRO HG3 . 34982 1 641 . 1 . 1 122 122 PRO HD2 H 1 3.809 0.020 . 2 . . . . A 122 PRO HD2 . 34982 1 642 . 1 . 1 122 122 PRO HD3 H 1 3.700 0.020 . 2 . . . . A 122 PRO HD3 . 34982 1 643 . 1 . 1 122 122 PRO CA C 13 63.205 0.3 . 1 . . . . A 122 PRO CA . 34982 1 644 . 1 . 1 122 122 PRO CB C 13 32.046 0.3 . 1 . . . . A 122 PRO CB . 34982 1 645 . 1 . 1 122 122 PRO CG C 13 27.074 0.3 . 1 . . . . A 122 PRO CG . 34982 1 646 . 1 . 1 122 122 PRO CD C 13 50.200 0.3 . 1 . . . . A 122 PRO CD . 34982 1 647 . 1 . 1 123 123 GLY H H 1 8.484 0.020 . 1 . . . . A 123 GLY H . 34982 1 648 . 1 . 1 123 123 GLY HA2 H 1 3.870 0.020 . 2 . . . . A 123 GLY HA2 . 34982 1 649 . 1 . 1 123 123 GLY HA3 H 1 3.928 0.020 . 2 . . . . A 123 GLY HA3 . 34982 1 650 . 1 . 1 123 123 GLY CA C 13 45.232 0.3 . 1 . . . . A 123 GLY CA . 34982 1 651 . 1 . 1 123 123 GLY N N 15 108.906 0.3 . 1 . . . . A 123 GLY N . 34982 1 652 . 1 . 1 124 124 HIS H H 1 7.831 0.020 . 1 . . . . A 124 HIS H . 34982 1 653 . 1 . 1 124 124 HIS HA H 1 4.447 0.020 . 1 . . . . A 124 HIS HA . 34982 1 654 . 1 . 1 124 124 HIS HB2 H 1 3.054 0.020 . 2 . . . . A 124 HIS HB2 . 34982 1 655 . 1 . 1 124 124 HIS HB3 H 1 3.173 0.020 . 2 . . . . A 124 HIS HB3 . 34982 1 656 . 1 . 1 124 124 HIS HD2 H 1 6.960 0.020 . 1 . . . . A 124 HIS HD2 . 34982 1 657 . 1 . 1 124 124 HIS CA C 13 57.240 0.3 . 1 . . . . A 124 HIS CA . 34982 1 658 . 1 . 1 124 124 HIS CB C 13 30.619 0.3 . 1 . . . . A 124 HIS CB . 34982 1 659 . 1 . 1 124 124 HIS CD2 C 13 120.658 0.3 . 1 . . . . A 124 HIS CD2 . 34982 1 660 . 1 . 1 124 124 HIS N N 15 123.926 0.3 . 1 . . . . A 124 HIS N . 34982 1 stop_ save_