data_30334 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30334 _Entry.Title ; H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-17 _Entry.Accession_date 2017-08-17 _Entry.Last_release_date 2017-10-19 _Entry.Original_release_date 2017-10-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 C. Tang C. T. . . 30334 2 F. Yang F. Y. . . 30334 3 G. Varani G. V. . . 30334 4 SSGCID 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . . . . 30334 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 'NIAID, National Institute of Allergy and Infectious Diseases' 'Seattle Structural Genomics Center for Infectious Disease' SSGCID 30334 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SSGCID . 30334 'STRUCTURAL PROTEIN' . 30334 'STRUCTURE FROM CYANA 3.97' . 30334 'Seattle Structural Genomics Center for Infectious Disease' . 30334 'Structural Genomics' . 30334 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30334 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 30334 '15N chemical shifts' 111 30334 '1H chemical shifts' 672 30334 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 . . 2017-10-20 . original BMRB . 30334 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6AP5 'BMRB Entry Tracking System' 30334 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30334 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409 ; _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 C. Tang C. T. . . 30334 1 2 F. Yang F. Y. . . 30334 1 3 G. Varani G. V. . . 30334 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30334 _Assembly.ID 1 _Assembly.Name Thioredoxin _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 entity_1 1 $entity_1 A A yes . . . . . . 30334 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30334 _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 ; MAHHHHHHMSGTVTVTDSTF KTDVLDSDTPVLVDFWADWC GPCKMVAPVLEEIANEKSGT LKVAKLDVDANPEAARDFQV VSIPTMILFKGGTPVKRIVG AKGKAALLREIEDAL ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12508.391 _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 . MET . 30334 1 2 . ALA . 30334 1 3 . HIS . 30334 1 4 . HIS . 30334 1 5 . HIS . 30334 1 6 . HIS . 30334 1 7 . HIS . 30334 1 8 . HIS . 30334 1 9 . MET . 30334 1 10 . SER . 30334 1 11 . GLY . 30334 1 12 . THR . 30334 1 13 . VAL . 30334 1 14 . THR . 30334 1 15 . VAL . 30334 1 16 . THR . 30334 1 17 . ASP . 30334 1 18 . SER . 30334 1 19 . THR . 30334 1 20 . PHE . 30334 1 21 . LYS . 30334 1 22 . THR . 30334 1 23 . ASP . 30334 1 24 . VAL . 30334 1 25 . LEU . 30334 1 26 . ASP . 30334 1 27 . SER . 30334 1 28 . ASP . 30334 1 29 . THR . 30334 1 30 . PRO . 30334 1 31 . VAL . 30334 1 32 . LEU . 30334 1 33 . VAL . 30334 1 34 . ASP . 30334 1 35 . PHE . 30334 1 36 . TRP . 30334 1 37 . ALA . 30334 1 38 . ASP . 30334 1 39 . TRP . 30334 1 40 . CYS . 30334 1 41 . GLY . 30334 1 42 . PRO . 30334 1 43 . CYS . 30334 1 44 . LYS . 30334 1 45 . MET . 30334 1 46 . VAL . 30334 1 47 . ALA . 30334 1 48 . PRO . 30334 1 49 . VAL . 30334 1 50 . LEU . 30334 1 51 . GLU . 30334 1 52 . GLU . 30334 1 53 . ILE . 30334 1 54 . ALA . 30334 1 55 . ASN . 30334 1 56 . GLU . 30334 1 57 . LYS . 30334 1 58 . SER . 30334 1 59 . GLY . 30334 1 60 . THR . 30334 1 61 . LEU . 30334 1 62 . LYS . 30334 1 63 . VAL . 30334 1 64 . ALA . 30334 1 65 . LYS . 30334 1 66 . LEU . 30334 1 67 . ASP . 30334 1 68 . VAL . 30334 1 69 . ASP . 30334 1 70 . ALA . 30334 1 71 . ASN . 30334 1 72 . PRO . 30334 1 73 . GLU . 30334 1 74 . ALA . 30334 1 75 . ALA . 30334 1 76 . ARG . 30334 1 77 . ASP . 30334 1 78 . PHE . 30334 1 79 . GLN . 30334 1 80 . VAL . 30334 1 81 . VAL . 30334 1 82 . SER . 30334 1 83 . ILE . 30334 1 84 . PRO . 30334 1 85 . THR . 30334 1 86 . MET . 30334 1 87 . ILE . 30334 1 88 . LEU . 30334 1 89 . PHE . 30334 1 90 . LYS . 30334 1 91 . GLY . 30334 1 92 . GLY . 30334 1 93 . THR . 30334 1 94 . PRO . 30334 1 95 . VAL . 30334 1 96 . LYS . 30334 1 97 . ARG . 30334 1 98 . ILE . 30334 1 99 . VAL . 30334 1 100 . GLY . 30334 1 101 . ALA . 30334 1 102 . LYS . 30334 1 103 . GLY . 30334 1 104 . LYS . 30334 1 105 . ALA . 30334 1 106 . ALA . 30334 1 107 . LEU . 30334 1 108 . LEU . 30334 1 109 . ARG . 30334 1 110 . GLU . 30334 1 111 . ILE . 30334 1 112 . GLU . 30334 1 113 . ASP . 30334 1 114 . ALA . 30334 1 115 . LEU . 30334 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 . MET 1 1 30334 1 . ALA 2 2 30334 1 . HIS 3 3 30334 1 . HIS 4 4 30334 1 . HIS 5 5 30334 1 . HIS 6 6 30334 1 . HIS 7 7 30334 1 . HIS 8 8 30334 1 . MET 9 9 30334 1 . SER 10 10 30334 1 . GLY 11 11 30334 1 . THR 12 12 30334 1 . VAL 13 13 30334 1 . THR 14 14 30334 1 . VAL 15 15 30334 1 . THR 16 16 30334 1 . ASP 17 17 30334 1 . SER 18 18 30334 1 . THR 19 19 30334 1 . PHE 20 20 30334 1 . LYS 21 21 30334 1 . THR 22 22 30334 1 . ASP 23 23 30334 1 . VAL 24 24 30334 1 . LEU 25 25 30334 1 . ASP 26 26 30334 1 . SER 27 27 30334 1 . ASP 28 28 30334 1 . THR 29 29 30334 1 . PRO 30 30 30334 1 . VAL 31 31 30334 1 . LEU 32 32 30334 1 . VAL 33 33 30334 1 . ASP 34 34 30334 1 . PHE 35 35 30334 1 . TRP 36 36 30334 1 . ALA 37 37 30334 1 . ASP 38 38 30334 1 . TRP 39 39 30334 1 . CYS 40 40 30334 1 . GLY 41 41 30334 1 . PRO 42 42 30334 1 . CYS 43 43 30334 1 . LYS 44 44 30334 1 . MET 45 45 30334 1 . VAL 46 46 30334 1 . ALA 47 47 30334 1 . PRO 48 48 30334 1 . VAL 49 49 30334 1 . LEU 50 50 30334 1 . GLU 51 51 30334 1 . GLU 52 52 30334 1 . ILE 53 53 30334 1 . ALA 54 54 30334 1 . ASN 55 55 30334 1 . GLU 56 56 30334 1 . LYS 57 57 30334 1 . SER 58 58 30334 1 . GLY 59 59 30334 1 . THR 60 60 30334 1 . LEU 61 61 30334 1 . LYS 62 62 30334 1 . VAL 63 63 30334 1 . ALA 64 64 30334 1 . LYS 65 65 30334 1 . LEU 66 66 30334 1 . ASP 67 67 30334 1 . VAL 68 68 30334 1 . ASP 69 69 30334 1 . ALA 70 70 30334 1 . ASN 71 71 30334 1 . PRO 72 72 30334 1 . GLU 73 73 30334 1 . ALA 74 74 30334 1 . ALA 75 75 30334 1 . ARG 76 76 30334 1 . ASP 77 77 30334 1 . PHE 78 78 30334 1 . GLN 79 79 30334 1 . VAL 80 80 30334 1 . VAL 81 81 30334 1 . SER 82 82 30334 1 . ILE 83 83 30334 1 . PRO 84 84 30334 1 . THR 85 85 30334 1 . MET 86 86 30334 1 . ILE 87 87 30334 1 . LEU 88 88 30334 1 . PHE 89 89 30334 1 . LYS 90 90 30334 1 . GLY 91 91 30334 1 . GLY 92 92 30334 1 . THR 93 93 30334 1 . PRO 94 94 30334 1 . VAL 95 95 30334 1 . LYS 96 96 30334 1 . ARG 97 97 30334 1 . ILE 98 98 30334 1 . VAL 99 99 30334 1 . GLY 100 100 30334 1 . ALA 101 101 30334 1 . LYS 102 102 30334 1 . GLY 103 103 30334 1 . LYS 104 104 30334 1 . ALA 105 105 30334 1 . ALA 106 106 30334 1 . LEU 107 107 30334 1 . LEU 108 108 30334 1 . ARG 109 109 30334 1 . GLU 110 110 30334 1 . ILE 111 111 30334 1 . GLU 112 112 30334 1 . ASP 113 113 30334 1 . ALA 114 114 30334 1 . LEU 115 115 30334 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 30334 _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 . 1078020 organism . 'Mycobacterium thermoresistibile' 'Mycobacterium thermoresistibile' . . Bacteria . Mycobacterium thermoresistibile 'ATCC 19527 / DSM 44167 / CIP 105390 / JCM 6362 / NCTC 10409 / 316' . . . . . . . . . . KEK_10718 'Mycobacterium thermoresistibile (strain ATCC 19527 / DSM 44167 / CIP 105390 / JCM 6362 / NCTC 10409 / 316)' 30334 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 30334 _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' . . 562 Escherichia coli . . . . . . . . . . 30334 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30334 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-95% 13C; U-95% 15N] Thioredoxin, 100 mM sodium chloride, 25 mM sodium phosphate, 2 mM DTT, 10 % v/v D20, 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 D20 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 30334 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30334 1 3 Thioredoxin '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30334 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30334 1 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30334 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30334 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-95% 13C; U-95% 15N] Thioredoxin, 100 mM sodium chloride, 25 mM sodium phosphate, 2 mM DTT, 100 % v/v D2O, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O 'natural abundance' . . . . . . 100 . . '% v/v' . . . . 30334 2 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30334 2 3 Thioredoxin '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30334 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30334 2 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30334 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 30334 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30334 1 pH 6.0 . pH 30334 1 pressure 1 . Pa 30334 1 temperature 298 . K 30334 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30334 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30334 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30334 1 'peak picking' 30334 1 refinement 30334 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30334 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30334 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30334 2 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 30334 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 30334 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30334 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 30334 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30334 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30334 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30334 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30334 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30334 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30334 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30334 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 30334 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.000 internal indirect 0.25144953 . . . . . 30334 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30334 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30334 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 30334 _Assigned_chem_shift_list.ID 1 _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 . _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' . . . 30334 1 2 '2D 1H-13C HSQC' . . . 30334 1 3 '3D HNCO' . . . 30334 1 4 '3D HNCA' . . . 30334 1 5 '3D HBHA(CO)NH' . . . 30334 1 6 '3D HCCH-TOCSY' . . . 30334 1 7 '3D H(CCO)NH' . . . 30334 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 HIS H H 1 8.310 0.002 . . . . . A 7 HIS H . 30334 1 2 . 1 1 7 7 HIS CA C 13 52.471 0.080 . . . . . A 7 HIS CA . 30334 1 3 . 1 1 7 7 HIS CB C 13 19.101 0.062 . . . . . A 7 HIS CB . 30334 1 4 . 1 1 7 7 HIS N N 15 124.592 0.061 . . . . . A 7 HIS N . 30334 1 5 . 1 1 8 8 HIS H H 1 8.266 0.006 . . . . . A 8 HIS H . 30334 1 6 . 1 1 8 8 HIS HA H 1 4.603 0.000 . . . . . A 8 HIS HA . 30334 1 7 . 1 1 8 8 HIS HB2 H 1 3.047 0.000 . . . . . A 8 HIS HB2 . 30334 1 8 . 1 1 8 8 HIS HB3 H 1 3.189 0.000 . . . . . A 8 HIS HB3 . 30334 1 9 . 1 1 8 8 HIS CA C 13 55.933 0.008 . . . . . A 8 HIS CA . 30334 1 10 . 1 1 8 8 HIS CB C 13 29.765 0.005 . . . . . A 8 HIS CB . 30334 1 11 . 1 1 8 8 HIS N N 15 117.222 0.019 . . . . . A 8 HIS N . 30334 1 12 . 1 1 9 9 MET H H 1 8.458 0.001 . . . . . A 9 MET H . 30334 1 13 . 1 1 9 9 MET HA H 1 4.520 0.000 . . . . . A 9 MET HA . 30334 1 14 . 1 1 9 9 MET HB2 H 1 1.979 0.000 . . . . . A 9 MET HB2 . 30334 1 15 . 1 1 9 9 MET HB3 H 1 2.094 0.000 . . . . . A 9 MET HB3 . 30334 1 16 . 1 1 9 9 MET HG2 H 1 2.536 0.000 . . . . . A 9 MET HG2 . 30334 1 17 . 1 1 9 9 MET HG3 H 1 2.485 0.000 . . . . . A 9 MET HG3 . 30334 1 18 . 1 1 9 9 MET C C 13 174.490 0.000 . . . . . A 9 MET C . 30334 1 19 . 1 1 9 9 MET CA C 13 55.269 0.000 . . . . . A 9 MET CA . 30334 1 20 . 1 1 9 9 MET CB C 13 32.896 0.000 . . . . . A 9 MET CB . 30334 1 21 . 1 1 9 9 MET CG C 13 31.869 0.000 . . . . . A 9 MET CG . 30334 1 22 . 1 1 9 9 MET N N 15 122.657 0.014 . . . . . A 9 MET N . 30334 1 23 . 1 1 10 10 SER H H 1 8.405 0.001 . . . . . A 10 SER H . 30334 1 24 . 1 1 10 10 SER HA H 1 4.556 0.000 . . . . . A 10 SER HA . 30334 1 25 . 1 1 10 10 SER HB2 H 1 3.849 0.000 . . . . . A 10 SER HB2 . 30334 1 26 . 1 1 10 10 SER HB3 H 1 3.909 0.000 . . . . . A 10 SER HB3 . 30334 1 27 . 1 1 10 10 SER C C 13 175.839 0.000 . . . . . A 10 SER C . 30334 1 28 . 1 1 10 10 SER CA C 13 58.223 0.000 . . . . . A 10 SER CA . 30334 1 29 . 1 1 10 10 SER CB C 13 64.459 0.000 . . . . . A 10 SER CB . 30334 1 30 . 1 1 10 10 SER N N 15 117.375 0.010 . . . . . A 10 SER N . 30334 1 31 . 1 1 11 11 GLY H H 1 8.438 0.008 . . . . . A 11 GLY H . 30334 1 32 . 1 1 11 11 GLY HA2 H 1 4.029 0.000 . . . . . A 11 GLY HA2 . 30334 1 33 . 1 1 11 11 GLY HA3 H 1 4.109 0.000 . . . . . A 11 GLY HA3 . 30334 1 34 . 1 1 11 11 GLY C C 13 173.915 0.000 . . . . . A 11 GLY C . 30334 1 35 . 1 1 11 11 GLY CA C 13 44.838 0.020 . . . . . A 11 GLY CA . 30334 1 36 . 1 1 11 11 GLY N N 15 109.923 0.033 . . . . . A 11 GLY N . 30334 1 37 . 1 1 12 12 THR H H 1 8.496 0.003 . . . . . A 12 THR H . 30334 1 38 . 1 1 12 12 THR HA H 1 4.509 0.005 . . . . . A 12 THR HA . 30334 1 39 . 1 1 12 12 THR HB H 1 3.894 0.000 . . . . . A 12 THR HB . 30334 1 40 . 1 1 12 12 THR HG21 H 1 0.926 0.000 . . . . . A 12 THR HG21 . 30334 1 41 . 1 1 12 12 THR HG22 H 1 0.926 0.000 . . . . . A 12 THR HG22 . 30334 1 42 . 1 1 12 12 THR HG23 H 1 0.926 0.000 . . . . . A 12 THR HG23 . 30334 1 43 . 1 1 12 12 THR C C 13 174.325 0.000 . . . . . A 12 THR C . 30334 1 44 . 1 1 12 12 THR CA C 13 61.822 0.000 . . . . . A 12 THR CA . 30334 1 45 . 1 1 12 12 THR CB C 13 70.642 0.078 . . . . . A 12 THR CB . 30334 1 46 . 1 1 12 12 THR CG2 C 13 21.308 0.000 . . . . . A 12 THR CG2 . 30334 1 47 . 1 1 12 12 THR N N 15 112.833 0.008 . . . . . A 12 THR N . 30334 1 48 . 1 1 13 13 VAL H H 1 8.792 0.002 . . . . . A 13 VAL H . 30334 1 49 . 1 1 13 13 VAL HA H 1 4.604 0.000 . . . . . A 13 VAL HA . 30334 1 50 . 1 1 13 13 VAL HB H 1 2.038 0.000 . . . . . A 13 VAL HB . 30334 1 51 . 1 1 13 13 VAL HG11 H 1 0.869 0.000 . . . . . A 13 VAL HG11 . 30334 1 52 . 1 1 13 13 VAL HG12 H 1 0.869 0.000 . . . . . A 13 VAL HG12 . 30334 1 53 . 1 1 13 13 VAL HG13 H 1 0.869 0.000 . . . . . A 13 VAL HG13 . 30334 1 54 . 1 1 13 13 VAL HG21 H 1 0.787 0.000 . . . . . A 13 VAL HG21 . 30334 1 55 . 1 1 13 13 VAL HG22 H 1 0.787 0.000 . . . . . A 13 VAL HG22 . 30334 1 56 . 1 1 13 13 VAL HG23 H 1 0.787 0.000 . . . . . A 13 VAL HG23 . 30334 1 57 . 1 1 13 13 VAL C C 13 174.988 0.000 . . . . . A 13 VAL C . 30334 1 58 . 1 1 13 13 VAL CA C 13 59.781 0.000 . . . . . A 13 VAL CA . 30334 1 59 . 1 1 13 13 VAL CB C 13 34.381 0.000 . . . . . A 13 VAL CB . 30334 1 60 . 1 1 13 13 VAL CG1 C 13 19.245 0.000 . . . . . A 13 VAL CG1 . 30334 1 61 . 1 1 13 13 VAL CG2 C 13 21.024 0.000 . . . . . A 13 VAL CG2 . 30334 1 62 . 1 1 13 13 VAL N N 15 117.852 0.018 . . . . . A 13 VAL N . 30334 1 63 . 1 1 14 14 THR H H 1 8.795 0.003 . . . . . A 14 THR H . 30334 1 64 . 1 1 14 14 THR HA H 1 4.633 0.000 . . . . . A 14 THR HA . 30334 1 65 . 1 1 14 14 THR HB H 1 4.063 0.000 . . . . . A 14 THR HB . 30334 1 66 . 1 1 14 14 THR HG21 H 1 1.300 0.000 . . . . . A 14 THR HG21 . 30334 1 67 . 1 1 14 14 THR HG22 H 1 1.300 0.000 . . . . . A 14 THR HG22 . 30334 1 68 . 1 1 14 14 THR HG23 H 1 1.300 0.000 . . . . . A 14 THR HG23 . 30334 1 69 . 1 1 14 14 THR C C 13 175.490 0.000 . . . . . A 14 THR C . 30334 1 70 . 1 1 14 14 THR CA C 13 63.380 0.000 . . . . . A 14 THR CA . 30334 1 71 . 1 1 14 14 THR CB C 13 69.662 0.000 . . . . . A 14 THR CB . 30334 1 72 . 1 1 14 14 THR CG2 C 13 22.074 0.000 . . . . . A 14 THR CG2 . 30334 1 73 . 1 1 14 14 THR N N 15 121.979 0.021 . . . . . A 14 THR N . 30334 1 74 . 1 1 15 15 VAL H H 1 8.753 0.002 . . . . . A 15 VAL H . 30334 1 75 . 1 1 15 15 VAL HA H 1 4.497 0.000 . . . . . A 15 VAL HA . 30334 1 76 . 1 1 15 15 VAL HB H 1 1.775 0.000 . . . . . A 15 VAL HB . 30334 1 77 . 1 1 15 15 VAL HG11 H 1 0.749 0.000 . . . . . A 15 VAL HG11 . 30334 1 78 . 1 1 15 15 VAL HG12 H 1 0.749 0.000 . . . . . A 15 VAL HG12 . 30334 1 79 . 1 1 15 15 VAL HG13 H 1 0.749 0.000 . . . . . A 15 VAL HG13 . 30334 1 80 . 1 1 15 15 VAL HG21 H 1 0.688 0.000 . . . . . A 15 VAL HG21 . 30334 1 81 . 1 1 15 15 VAL HG22 H 1 0.688 0.000 . . . . . A 15 VAL HG22 . 30334 1 82 . 1 1 15 15 VAL HG23 H 1 0.688 0.000 . . . . . A 15 VAL HG23 . 30334 1 83 . 1 1 15 15 VAL C C 13 174.187 0.000 . . . . . A 15 VAL C . 30334 1 84 . 1 1 15 15 VAL CA C 13 59.618 0.000 . . . . . A 15 VAL CA . 30334 1 85 . 1 1 15 15 VAL CB C 13 34.956 0.000 . . . . . A 15 VAL CB . 30334 1 86 . 1 1 15 15 VAL CG1 C 13 21.029 0.000 . . . . . A 15 VAL CG1 . 30334 1 87 . 1 1 15 15 VAL CG2 C 13 22.184 0.000 . . . . . A 15 VAL CG2 . 30334 1 88 . 1 1 15 15 VAL N N 15 123.875 0.064 . . . . . A 15 VAL N . 30334 1 89 . 1 1 16 16 THR H H 1 7.574 0.001 . . . . . A 16 THR H . 30334 1 90 . 1 1 16 16 THR HA H 1 4.735 0.000 . . . . . A 16 THR HA . 30334 1 91 . 1 1 16 16 THR HB H 1 4.813 0.000 . . . . . A 16 THR HB . 30334 1 92 . 1 1 16 16 THR HG21 H 1 1.198 0.000 . . . . . A 16 THR HG21 . 30334 1 93 . 1 1 16 16 THR HG22 H 1 1.198 0.000 . . . . . A 16 THR HG22 . 30334 1 94 . 1 1 16 16 THR HG23 H 1 1.198 0.000 . . . . . A 16 THR HG23 . 30334 1 95 . 1 1 16 16 THR C C 13 172.441 0.000 . . . . . A 16 THR C . 30334 1 96 . 1 1 16 16 THR CA C 13 58.950 0.000 . . . . . A 16 THR CA . 30334 1 97 . 1 1 16 16 THR CB C 13 73.188 0.000 . . . . . A 16 THR CB . 30334 1 98 . 1 1 16 16 THR CG2 C 13 21.980 0.000 . . . . . A 16 THR CG2 . 30334 1 99 . 1 1 16 16 THR N N 15 111.724 0.025 . . . . . A 16 THR N . 30334 1 100 . 1 1 17 17 ASP H H 1 9.112 0.002 . . . . . A 17 ASP H . 30334 1 101 . 1 1 17 17 ASP HA H 1 4.706 0.000 . . . . . A 17 ASP HA . 30334 1 102 . 1 1 17 17 ASP HB2 H 1 2.654 0.000 . . . . . A 17 ASP HB2 . 30334 1 103 . 1 1 17 17 ASP HB3 H 1 2.797 0.000 . . . . . A 17 ASP HB3 . 30334 1 104 . 1 1 17 17 ASP C C 13 175.447 0.000 . . . . . A 17 ASP C . 30334 1 105 . 1 1 17 17 ASP CA C 13 58.311 0.000 . . . . . A 17 ASP CA . 30334 1 106 . 1 1 17 17 ASP CB C 13 40.844 0.024 . . . . . A 17 ASP CB . 30334 1 107 . 1 1 17 17 ASP N N 15 121.601 0.031 . . . . . A 17 ASP N . 30334 1 108 . 1 1 18 18 SER H H 1 8.379 0.001 . . . . . A 18 SER H . 30334 1 109 . 1 1 18 18 SER HA H 1 4.444 0.000 . . . . . A 18 SER HA . 30334 1 110 . 1 1 18 18 SER HB3 H 1 3.970 0.000 . . . . . A 18 SER HB3 . 30334 1 111 . 1 1 18 18 SER C C 13 179.655 0.000 . . . . . A 18 SER C . 30334 1 112 . 1 1 18 18 SER CA C 13 60.748 0.000 . . . . . A 18 SER CA . 30334 1 113 . 1 1 18 18 SER CB C 13 63.279 0.000 . . . . . A 18 SER CB . 30334 1 114 . 1 1 18 18 SER N N 15 112.150 0.005 . . . . . A 18 SER N . 30334 1 115 . 1 1 19 19 THR H H 1 7.602 0.004 . . . . . A 19 THR H . 30334 1 116 . 1 1 19 19 THR HA H 1 4.719 0.000 . . . . . A 19 THR HA . 30334 1 117 . 1 1 19 19 THR HB H 1 4.626 0.000 . . . . . A 19 THR HB . 30334 1 118 . 1 1 19 19 THR HG21 H 1 1.122 0.000 . . . . . A 19 THR HG21 . 30334 1 119 . 1 1 19 19 THR HG22 H 1 1.122 0.000 . . . . . A 19 THR HG22 . 30334 1 120 . 1 1 19 19 THR HG23 H 1 1.122 0.000 . . . . . A 19 THR HG23 . 30334 1 121 . 1 1 19 19 THR C C 13 176.230 0.000 . . . . . A 19 THR C . 30334 1 122 . 1 1 19 19 THR CA C 13 61.465 0.000 . . . . . A 19 THR CA . 30334 1 123 . 1 1 19 19 THR CB C 13 69.259 0.000 . . . . . A 19 THR CB . 30334 1 124 . 1 1 19 19 THR CG2 C 13 21.582 0.000 . . . . . A 19 THR CG2 . 30334 1 125 . 1 1 19 19 THR N N 15 111.028 0.008 . . . . . A 19 THR N . 30334 1 126 . 1 1 20 20 PHE H H 1 7.810 0.002 . . . . . A 20 PHE H . 30334 1 127 . 1 1 20 20 PHE HA H 1 3.520 0.000 . . . . . A 20 PHE HA . 30334 1 128 . 1 1 20 20 PHE HB2 H 1 3.191 0.000 . . . . . A 20 PHE HB2 . 30334 1 129 . 1 1 20 20 PHE HB3 H 1 3.379 0.000 . . . . . A 20 PHE HB3 . 30334 1 130 . 1 1 20 20 PHE HD1 H 1 6.868 0.000 . . . . . A 20 PHE HD1 . 30334 1 131 . 1 1 20 20 PHE HD2 H 1 6.868 0.000 . . . . . A 20 PHE HD2 . 30334 1 132 . 1 1 20 20 PHE C C 13 174.632 0.000 . . . . . A 20 PHE C . 30334 1 133 . 1 1 20 20 PHE CA C 13 63.373 0.000 . . . . . A 20 PHE CA . 30334 1 134 . 1 1 20 20 PHE CB C 13 40.239 0.000 . . . . . A 20 PHE CB . 30334 1 135 . 1 1 20 20 PHE CD1 C 13 135.850 0.000 . . . . . A 20 PHE CD1 . 30334 1 136 . 1 1 20 20 PHE CD2 C 13 135.850 0.000 . . . . . A 20 PHE CD2 . 30334 1 137 . 1 1 20 20 PHE N N 15 125.858 0.009 . . . . . A 20 PHE N . 30334 1 138 . 1 1 21 21 LYS H H 1 8.915 0.001 . . . . . A 21 LYS H . 30334 1 139 . 1 1 21 21 LYS HA H 1 3.865 0.000 . . . . . A 21 LYS HA . 30334 1 140 . 1 1 21 21 LYS HB3 H 1 1.992 0.000 . . . . . A 21 LYS HB3 . 30334 1 141 . 1 1 21 21 LYS HG3 H 1 1.447 0.000 . . . . . A 21 LYS HG3 . 30334 1 142 . 1 1 21 21 LYS HD2 H 1 2.010 0.000 . . . . . A 21 LYS HD2 . 30334 1 143 . 1 1 21 21 LYS HD3 H 1 2.128 0.000 . . . . . A 21 LYS HD3 . 30334 1 144 . 1 1 21 21 LYS HE3 H 1 3.056 0.000 . . . . . A 21 LYS HE3 . 30334 1 145 . 1 1 21 21 LYS C C 13 177.877 0.000 . . . . . A 21 LYS C . 30334 1 146 . 1 1 21 21 LYS CA C 13 60.427 0.000 . . . . . A 21 LYS CA . 30334 1 147 . 1 1 21 21 LYS CB C 13 31.792 0.000 . . . . . A 21 LYS CB . 30334 1 148 . 1 1 21 21 LYS CG C 13 25.287 0.000 . . . . . A 21 LYS CG . 30334 1 149 . 1 1 21 21 LYS CD C 13 29.230 0.000 . . . . . A 21 LYS CD . 30334 1 150 . 1 1 21 21 LYS CE C 13 42.300 0.000 . . . . . A 21 LYS CE . 30334 1 151 . 1 1 21 21 LYS N N 15 118.908 0.012 . . . . . A 21 LYS N . 30334 1 152 . 1 1 22 22 THR H H 1 7.770 0.005 . . . . . A 22 THR H . 30334 1 153 . 1 1 22 22 THR HA H 1 4.012 0.000 . . . . . A 22 THR HA . 30334 1 154 . 1 1 22 22 THR HB H 1 4.016 0.000 . . . . . A 22 THR HB . 30334 1 155 . 1 1 22 22 THR HG21 H 1 1.233 0.000 . . . . . A 22 THR HG21 . 30334 1 156 . 1 1 22 22 THR HG22 H 1 1.233 0.000 . . . . . A 22 THR HG22 . 30334 1 157 . 1 1 22 22 THR HG23 H 1 1.233 0.000 . . . . . A 22 THR HG23 . 30334 1 158 . 1 1 22 22 THR C C 13 176.809 0.000 . . . . . A 22 THR C . 30334 1 159 . 1 1 22 22 THR CA C 13 65.337 0.047 . . . . . A 22 THR CA . 30334 1 160 . 1 1 22 22 THR CB C 13 69.176 0.015 . . . . . A 22 THR CB . 30334 1 161 . 1 1 22 22 THR CG2 C 13 21.713 0.000 . . . . . A 22 THR CG2 . 30334 1 162 . 1 1 22 22 THR N N 15 111.038 0.002 . . . . . A 22 THR N . 30334 1 163 . 1 1 23 23 ASP H H 1 8.619 0.002 . . . . . A 23 ASP H . 30334 1 164 . 1 1 23 23 ASP HA H 1 4.378 0.000 . . . . . A 23 ASP HA . 30334 1 165 . 1 1 23 23 ASP HB2 H 1 2.182 0.000 . . . . . A 23 ASP HB2 . 30334 1 166 . 1 1 23 23 ASP HB3 H 1 2.486 0.000 . . . . . A 23 ASP HB3 . 30334 1 167 . 1 1 23 23 ASP C C 13 176.127 0.000 . . . . . A 23 ASP C . 30334 1 168 . 1 1 23 23 ASP CA C 13 56.282 0.031 . . . . . A 23 ASP CA . 30334 1 169 . 1 1 23 23 ASP CB C 13 41.559 0.033 . . . . . A 23 ASP CB . 30334 1 170 . 1 1 23 23 ASP N N 15 117.672 0.004 . . . . . A 23 ASP N . 30334 1 171 . 1 1 24 24 VAL H H 1 7.632 0.001 . . . . . A 24 VAL H . 30334 1 172 . 1 1 24 24 VAL HA H 1 3.812 0.000 . . . . . A 24 VAL HA . 30334 1 173 . 1 1 24 24 VAL HB H 1 1.002 0.000 . . . . . A 24 VAL HB . 30334 1 174 . 1 1 24 24 VAL HG11 H 1 -0.498 0.000 . . . . . A 24 VAL HG11 . 30334 1 175 . 1 1 24 24 VAL HG12 H 1 -0.498 0.000 . . . . . A 24 VAL HG12 . 30334 1 176 . 1 1 24 24 VAL HG13 H 1 -0.498 0.000 . . . . . A 24 VAL HG13 . 30334 1 177 . 1 1 24 24 VAL HG21 H 1 -0.158 0.000 . . . . . A 24 VAL HG21 . 30334 1 178 . 1 1 24 24 VAL HG22 H 1 -0.158 0.000 . . . . . A 24 VAL HG22 . 30334 1 179 . 1 1 24 24 VAL HG23 H 1 -0.158 0.000 . . . . . A 24 VAL HG23 . 30334 1 180 . 1 1 24 24 VAL C C 13 176.686 0.000 . . . . . A 24 VAL C . 30334 1 181 . 1 1 24 24 VAL CA C 13 63.366 0.000 . . . . . A 24 VAL CA . 30334 1 182 . 1 1 24 24 VAL CB C 13 32.018 0.005 . . . . . A 24 VAL CB . 30334 1 183 . 1 1 24 24 VAL CG1 C 13 20.313 0.000 . . . . . A 24 VAL CG1 . 30334 1 184 . 1 1 24 24 VAL CG2 C 13 20.435 0.000 . . . . . A 24 VAL CG2 . 30334 1 185 . 1 1 24 24 VAL N N 15 115.488 0.003 . . . . . A 24 VAL N . 30334 1 186 . 1 1 25 25 LEU H H 1 7.266 0.001 . . . . . A 25 LEU H . 30334 1 187 . 1 1 25 25 LEU HA H 1 3.714 0.000 . . . . . A 25 LEU HA . 30334 1 188 . 1 1 25 25 LEU HB2 H 1 1.624 0.000 . . . . . A 25 LEU HB2 . 30334 1 189 . 1 1 25 25 LEU HB3 H 1 2.277 0.000 . . . . . A 25 LEU HB3 . 30334 1 190 . 1 1 25 25 LEU HG H 1 1.219 0.000 . . . . . A 25 LEU HG . 30334 1 191 . 1 1 25 25 LEU HD11 H 1 0.803 0.000 . . . . . A 25 LEU HD11 . 30334 1 192 . 1 1 25 25 LEU HD12 H 1 0.803 0.000 . . . . . A 25 LEU HD12 . 30334 1 193 . 1 1 25 25 LEU HD13 H 1 0.803 0.000 . . . . . A 25 LEU HD13 . 30334 1 194 . 1 1 25 25 LEU C C 13 176.765 0.000 . . . . . A 25 LEU C . 30334 1 195 . 1 1 25 25 LEU CA C 13 58.393 0.000 . . . . . A 25 LEU CA . 30334 1 196 . 1 1 25 25 LEU CB C 13 39.455 0.000 . . . . . A 25 LEU CB . 30334 1 197 . 1 1 25 25 LEU CG C 13 25.424 0.000 . . . . . A 25 LEU CG . 30334 1 198 . 1 1 25 25 LEU CD2 C 13 22.977 0.000 . . . . . A 25 LEU CD2 . 30334 1 199 . 1 1 25 25 LEU N N 15 117.924 0.009 . . . . . A 25 LEU N . 30334 1 200 . 1 1 26 26 ASP H H 1 8.126 0.004 . . . . . A 26 ASP H . 30334 1 201 . 1 1 26 26 ASP HA H 1 4.621 0.000 . . . . . A 26 ASP HA . 30334 1 202 . 1 1 26 26 ASP HB2 H 1 2.769 0.000 . . . . . A 26 ASP HB2 . 30334 1 203 . 1 1 26 26 ASP HB3 H 1 2.889 0.000 . . . . . A 26 ASP HB3 . 30334 1 204 . 1 1 26 26 ASP C C 13 178.372 0.000 . . . . . A 26 ASP C . 30334 1 205 . 1 1 26 26 ASP CA C 13 53.685 0.000 . . . . . A 26 ASP CA . 30334 1 206 . 1 1 26 26 ASP CB C 13 40.079 0.021 . . . . . A 26 ASP CB . 30334 1 207 . 1 1 26 26 ASP N N 15 115.744 0.008 . . . . . A 26 ASP N . 30334 1 208 . 1 1 27 27 SER H H 1 6.507 0.002 . . . . . A 27 SER H . 30334 1 209 . 1 1 27 27 SER HA H 1 4.193 0.000 . . . . . A 27 SER HA . 30334 1 210 . 1 1 27 27 SER HB2 H 1 3.561 0.000 . . . . . A 27 SER HB2 . 30334 1 211 . 1 1 27 27 SER HB3 H 1 3.778 0.000 . . . . . A 27 SER HB3 . 30334 1 212 . 1 1 27 27 SER C C 13 176.167 0.000 . . . . . A 27 SER C . 30334 1 213 . 1 1 27 27 SER CA C 13 58.183 0.000 . . . . . A 27 SER CA . 30334 1 214 . 1 1 27 27 SER CB C 13 64.139 0.030 . . . . . A 27 SER CB . 30334 1 215 . 1 1 27 27 SER N N 15 111.414 0.006 . . . . . A 27 SER N . 30334 1 216 . 1 1 28 28 ASP H H 1 8.973 0.001 . . . . . A 28 ASP H . 30334 1 217 . 1 1 28 28 ASP HA H 1 4.565 0.000 . . . . . A 28 ASP HA . 30334 1 218 . 1 1 28 28 ASP HB2 H 1 2.745 0.000 . . . . . A 28 ASP HB2 . 30334 1 219 . 1 1 28 28 ASP HB3 H 1 2.840 0.000 . . . . . A 28 ASP HB3 . 30334 1 220 . 1 1 28 28 ASP C C 13 176.517 0.000 . . . . . A 28 ASP C . 30334 1 221 . 1 1 28 28 ASP CA C 13 55.599 0.000 . . . . . A 28 ASP CA . 30334 1 222 . 1 1 28 28 ASP CB C 13 40.525 0.000 . . . . . A 28 ASP CB . 30334 1 223 . 1 1 28 28 ASP N N 15 129.272 0.004 . . . . . A 28 ASP N . 30334 1 224 . 1 1 29 29 THR H H 1 7.755 0.002 . . . . . A 29 THR H . 30334 1 225 . 1 1 29 29 THR HA H 1 4.736 0.000 . . . . . A 29 THR HA . 30334 1 226 . 1 1 29 29 THR HB H 1 3.895 0.000 . . . . . A 29 THR HB . 30334 1 227 . 1 1 29 29 THR HG21 H 1 1.187 0.000 . . . . . A 29 THR HG21 . 30334 1 228 . 1 1 29 29 THR HG22 H 1 1.187 0.000 . . . . . A 29 THR HG22 . 30334 1 229 . 1 1 29 29 THR HG23 H 1 1.187 0.000 . . . . . A 29 THR HG23 . 30334 1 230 . 1 1 29 29 THR C C 13 176.322 0.000 . . . . . A 29 THR C . 30334 1 231 . 1 1 29 29 THR CA C 13 59.627 0.000 . . . . . A 29 THR CA . 30334 1 232 . 1 1 29 29 THR CB C 13 70.713 0.000 . . . . . A 29 THR CB . 30334 1 233 . 1 1 29 29 THR CG2 C 13 20.684 0.000 . . . . . A 29 THR CG2 . 30334 1 234 . 1 1 29 29 THR N N 15 115.070 0.000 . . . . . A 29 THR N . 30334 1 235 . 1 1 30 30 PRO HA H 1 4.870 0.000 . . . . . A 30 PRO HA . 30334 1 236 . 1 1 30 30 PRO HB2 H 1 1.877 0.000 . . . . . A 30 PRO HB2 . 30334 1 237 . 1 1 30 30 PRO HB3 H 1 2.215 0.000 . . . . . A 30 PRO HB3 . 30334 1 238 . 1 1 30 30 PRO HG2 H 1 2.383 0.000 . . . . . A 30 PRO HG2 . 30334 1 239 . 1 1 30 30 PRO HD3 H 1 3.993 0.000 . . . . . A 30 PRO HD3 . 30334 1 240 . 1 1 30 30 PRO CA C 13 64.053 0.000 . . . . . A 30 PRO CA . 30334 1 241 . 1 1 30 30 PRO CB C 13 32.403 0.000 . . . . . A 30 PRO CB . 30334 1 242 . 1 1 30 30 PRO CG C 13 28.542 0.000 . . . . . A 30 PRO CG . 30334 1 243 . 1 1 30 30 PRO CD C 13 51.371 0.000 . . . . . A 30 PRO CD . 30334 1 244 . 1 1 31 31 VAL H H 1 8.708 0.002 . . . . . A 31 VAL H . 30334 1 245 . 1 1 31 31 VAL HA H 1 5.159 0.000 . . . . . A 31 VAL HA . 30334 1 246 . 1 1 31 31 VAL HB H 1 1.947 0.000 . . . . . A 31 VAL HB . 30334 1 247 . 1 1 31 31 VAL HG21 H 1 0.682 0.000 . . . . . A 31 VAL HG21 . 30334 1 248 . 1 1 31 31 VAL HG22 H 1 0.682 0.000 . . . . . A 31 VAL HG22 . 30334 1 249 . 1 1 31 31 VAL HG23 H 1 0.682 0.000 . . . . . A 31 VAL HG23 . 30334 1 250 . 1 1 31 31 VAL C C 13 174.565 0.000 . . . . . A 31 VAL C . 30334 1 251 . 1 1 31 31 VAL CA C 13 59.135 0.000 . . . . . A 31 VAL CA . 30334 1 252 . 1 1 31 31 VAL CB C 13 35.746 0.138 . . . . . A 31 VAL CB . 30334 1 253 . 1 1 31 31 VAL CG1 C 13 22.304 0.000 . . . . . A 31 VAL CG1 . 30334 1 254 . 1 1 31 31 VAL CG2 C 13 22.314 0.000 . . . . . A 31 VAL CG2 . 30334 1 255 . 1 1 31 31 VAL N N 15 120.535 0.008 . . . . . A 31 VAL N . 30334 1 256 . 1 1 32 32 LEU H H 1 9.368 0.001 . . . . . A 32 LEU H . 30334 1 257 . 1 1 32 32 LEU HA H 1 5.095 0.000 . . . . . A 32 LEU HA . 30334 1 258 . 1 1 32 32 LEU HB2 H 1 1.210 0.000 . . . . . A 32 LEU HB2 . 30334 1 259 . 1 1 32 32 LEU HB3 H 1 2.076 0.000 . . . . . A 32 LEU HB3 . 30334 1 260 . 1 1 32 32 LEU HG H 1 1.340 0.000 . . . . . A 32 LEU HG . 30334 1 261 . 1 1 32 32 LEU HD11 H 1 0.810 0.000 . . . . . A 32 LEU HD11 . 30334 1 262 . 1 1 32 32 LEU HD12 H 1 0.810 0.000 . . . . . A 32 LEU HD12 . 30334 1 263 . 1 1 32 32 LEU HD13 H 1 0.810 0.000 . . . . . A 32 LEU HD13 . 30334 1 264 . 1 1 32 32 LEU HD21 H 1 0.728 0.000 . . . . . A 32 LEU HD21 . 30334 1 265 . 1 1 32 32 LEU HD22 H 1 0.728 0.000 . . . . . A 32 LEU HD22 . 30334 1 266 . 1 1 32 32 LEU HD23 H 1 0.728 0.000 . . . . . A 32 LEU HD23 . 30334 1 267 . 1 1 32 32 LEU C C 13 174.660 0.000 . . . . . A 32 LEU C . 30334 1 268 . 1 1 32 32 LEU CA C 13 53.006 0.000 . . . . . A 32 LEU CA . 30334 1 269 . 1 1 32 32 LEU CB C 13 44.785 0.000 . . . . . A 32 LEU CB . 30334 1 270 . 1 1 32 32 LEU CG C 13 28.117 0.000 . . . . . A 32 LEU CG . 30334 1 271 . 1 1 32 32 LEU CD1 C 13 24.110 0.000 . . . . . A 32 LEU CD1 . 30334 1 272 . 1 1 32 32 LEU CD2 C 13 26.153 0.000 . . . . . A 32 LEU CD2 . 30334 1 273 . 1 1 32 32 LEU N N 15 130.576 0.002 . . . . . A 32 LEU N . 30334 1 274 . 1 1 33 33 VAL H H 1 9.560 0.002 . . . . . A 33 VAL H . 30334 1 275 . 1 1 33 33 VAL HA H 1 4.606 0.000 . . . . . A 33 VAL HA . 30334 1 276 . 1 1 33 33 VAL HB H 1 2.222 0.000 . . . . . A 33 VAL HB . 30334 1 277 . 1 1 33 33 VAL HG11 H 1 0.782 0.000 . . . . . A 33 VAL HG11 . 30334 1 278 . 1 1 33 33 VAL HG12 H 1 0.782 0.000 . . . . . A 33 VAL HG12 . 30334 1 279 . 1 1 33 33 VAL HG13 H 1 0.782 0.000 . . . . . A 33 VAL HG13 . 30334 1 280 . 1 1 33 33 VAL HG21 H 1 0.138 0.000 . . . . . A 33 VAL HG21 . 30334 1 281 . 1 1 33 33 VAL HG22 H 1 0.138 0.000 . . . . . A 33 VAL HG22 . 30334 1 282 . 1 1 33 33 VAL HG23 H 1 0.138 0.000 . . . . . A 33 VAL HG23 . 30334 1 283 . 1 1 33 33 VAL C C 13 173.975 0.000 . . . . . A 33 VAL C . 30334 1 284 . 1 1 33 33 VAL CA C 13 61.187 0.086 . . . . . A 33 VAL CA . 30334 1 285 . 1 1 33 33 VAL CB C 13 33.062 0.000 . . . . . A 33 VAL CB . 30334 1 286 . 1 1 33 33 VAL CG1 C 13 22.017 0.000 . . . . . A 33 VAL CG1 . 30334 1 287 . 1 1 33 33 VAL CG2 C 13 23.996 0.000 . . . . . A 33 VAL CG2 . 30334 1 288 . 1 1 33 33 VAL N N 15 127.206 0.058 . . . . . A 33 VAL N . 30334 1 289 . 1 1 34 34 ASP H H 1 9.252 0.002 . . . . . A 34 ASP H . 30334 1 290 . 1 1 34 34 ASP HA H 1 4.992 0.000 . . . . . A 34 ASP HA . 30334 1 291 . 1 1 34 34 ASP HB2 H 1 2.297 0.000 . . . . . A 34 ASP HB2 . 30334 1 292 . 1 1 34 34 ASP HB3 H 1 2.927 0.000 . . . . . A 34 ASP HB3 . 30334 1 293 . 1 1 34 34 ASP C C 13 174.590 0.000 . . . . . A 34 ASP C . 30334 1 294 . 1 1 34 34 ASP CA C 13 52.247 0.000 . . . . . A 34 ASP CA . 30334 1 295 . 1 1 34 34 ASP CB C 13 39.628 0.000 . . . . . A 34 ASP CB . 30334 1 296 . 1 1 34 34 ASP N N 15 125.720 0.036 . . . . . A 34 ASP N . 30334 1 297 . 1 1 35 35 PHE H H 1 9.521 0.003 . . . . . A 35 PHE H . 30334 1 298 . 1 1 35 35 PHE HA H 1 5.373 0.000 . . . . . A 35 PHE HA . 30334 1 299 . 1 1 35 35 PHE HB2 H 1 2.693 0.000 . . . . . A 35 PHE HB2 . 30334 1 300 . 1 1 35 35 PHE HB3 H 1 3.585 0.000 . . . . . A 35 PHE HB3 . 30334 1 301 . 1 1 35 35 PHE HD1 H 1 7.374 0.000 . . . . . A 35 PHE HD1 . 30334 1 302 . 1 1 35 35 PHE HD2 H 1 7.374 0.000 . . . . . A 35 PHE HD2 . 30334 1 303 . 1 1 35 35 PHE C C 13 173.678 0.000 . . . . . A 35 PHE C . 30334 1 304 . 1 1 35 35 PHE CA C 13 58.142 0.000 . . . . . A 35 PHE CA . 30334 1 305 . 1 1 35 35 PHE CB C 13 38.516 0.000 . . . . . A 35 PHE CB . 30334 1 306 . 1 1 35 35 PHE CD1 C 13 137.397 0.000 . . . . . A 35 PHE CD1 . 30334 1 307 . 1 1 35 35 PHE CD2 C 13 137.397 0.000 . . . . . A 35 PHE CD2 . 30334 1 308 . 1 1 35 35 PHE N N 15 129.001 0.013 . . . . . A 35 PHE N . 30334 1 309 . 1 1 36 36 TRP H H 1 8.794 0.001 . . . . . A 36 TRP H . 30334 1 310 . 1 1 36 36 TRP HA H 1 5.202 0.000 . . . . . A 36 TRP HA . 30334 1 311 . 1 1 36 36 TRP HB2 H 1 3.015 0.000 . . . . . A 36 TRP HB2 . 30334 1 312 . 1 1 36 36 TRP HB3 H 1 3.347 0.000 . . . . . A 36 TRP HB3 . 30334 1 313 . 1 1 36 36 TRP HD1 H 1 7.270 0.000 . . . . . A 36 TRP HD1 . 30334 1 314 . 1 1 36 36 TRP HE1 H 1 11.267 0.000 . . . . . A 36 TRP HE1 . 30334 1 315 . 1 1 36 36 TRP C C 13 173.517 0.000 . . . . . A 36 TRP C . 30334 1 316 . 1 1 36 36 TRP CA C 13 54.761 0.000 . . . . . A 36 TRP CA . 30334 1 317 . 1 1 36 36 TRP CB C 13 33.216 0.003 . . . . . A 36 TRP CB . 30334 1 318 . 1 1 36 36 TRP CD1 C 13 125.592 0.000 . . . . . A 36 TRP CD1 . 30334 1 319 . 1 1 36 36 TRP N N 15 122.227 0.015 . . . . . A 36 TRP N . 30334 1 320 . 1 1 36 36 TRP NE1 N 15 99.402 0.000 . . . . . A 36 TRP NE1 . 30334 1 321 . 1 1 37 37 ALA H H 1 7.108 0.001 . . . . . A 37 ALA H . 30334 1 322 . 1 1 37 37 ALA HA H 1 3.562 0.000 . . . . . A 37 ALA HA . 30334 1 323 . 1 1 37 37 ALA HB1 H 1 0.529 0.000 . . . . . A 37 ALA HB1 . 30334 1 324 . 1 1 37 37 ALA HB2 H 1 0.529 0.000 . . . . . A 37 ALA HB2 . 30334 1 325 . 1 1 37 37 ALA HB3 H 1 0.529 0.000 . . . . . A 37 ALA HB3 . 30334 1 326 . 1 1 37 37 ALA C C 13 171.499 0.000 . . . . . A 37 ALA C . 30334 1 327 . 1 1 37 37 ALA CA C 13 51.842 0.000 . . . . . A 37 ALA CA . 30334 1 328 . 1 1 37 37 ALA CB C 13 22.646 0.012 . . . . . A 37 ALA CB . 30334 1 329 . 1 1 37 37 ALA N N 15 117.268 0.005 . . . . . A 37 ALA N . 30334 1 330 . 1 1 38 38 ASP H H 1 9.207 0.001 . . . . . A 38 ASP H . 30334 1 331 . 1 1 38 38 ASP HA H 1 4.414 0.000 . . . . . A 38 ASP HA . 30334 1 332 . 1 1 38 38 ASP HB2 H 1 2.560 0.000 . . . . . A 38 ASP HB2 . 30334 1 333 . 1 1 38 38 ASP HB3 H 1 2.793 0.000 . . . . . A 38 ASP HB3 . 30334 1 334 . 1 1 38 38 ASP C C 13 178.904 0.000 . . . . . A 38 ASP C . 30334 1 335 . 1 1 38 38 ASP CA C 13 56.718 0.000 . . . . . A 38 ASP CA . 30334 1 336 . 1 1 38 38 ASP CB C 13 41.903 0.000 . . . . . A 38 ASP CB . 30334 1 337 . 1 1 38 38 ASP N N 15 121.467 0.009 . . . . . A 38 ASP N . 30334 1 338 . 1 1 39 39 TRP H H 1 6.824 0.004 . . . . . A 39 TRP H . 30334 1 339 . 1 1 39 39 TRP HA H 1 4.526 0.000 . . . . . A 39 TRP HA . 30334 1 340 . 1 1 39 39 TRP HB2 H 1 3.217 0.000 . . . . . A 39 TRP HB2 . 30334 1 341 . 1 1 39 39 TRP HB3 H 1 3.643 0.000 . . . . . A 39 TRP HB3 . 30334 1 342 . 1 1 39 39 TRP HD1 H 1 7.442 0.000 . . . . . A 39 TRP HD1 . 30334 1 343 . 1 1 39 39 TRP HE1 H 1 10.597 0.000 . . . . . A 39 TRP HE1 . 30334 1 344 . 1 1 39 39 TRP C C 13 176.206 0.000 . . . . . A 39 TRP C . 30334 1 345 . 1 1 39 39 TRP CA C 13 54.508 0.000 . . . . . A 39 TRP CA . 30334 1 346 . 1 1 39 39 TRP CB C 13 29.000 0.000 . . . . . A 39 TRP CB . 30334 1 347 . 1 1 39 39 TRP CD1 C 13 130.216 0.000 . . . . . A 39 TRP CD1 . 30334 1 348 . 1 1 39 39 TRP N N 15 111.781 0.004 . . . . . A 39 TRP N . 30334 1 349 . 1 1 39 39 TRP NE1 N 15 130.376 0.000 . . . . . A 39 TRP NE1 . 30334 1 350 . 1 1 40 40 CYS H H 1 6.669 0.000 . . . . . A 40 CYS H . 30334 1 351 . 1 1 40 40 CYS HA H 1 4.588 0.000 . . . . . A 40 CYS HA . 30334 1 352 . 1 1 40 40 CYS HB2 H 1 1.422 0.000 . . . . . A 40 CYS HB2 . 30334 1 353 . 1 1 40 40 CYS HB3 H 1 2.446 0.000 . . . . . A 40 CYS HB3 . 30334 1 354 . 1 1 40 40 CYS C C 13 176.020 0.000 . . . . . A 40 CYS C . 30334 1 355 . 1 1 40 40 CYS CA C 13 58.049 0.035 . . . . . A 40 CYS CA . 30334 1 356 . 1 1 40 40 CYS CB C 13 26.609 0.001 . . . . . A 40 CYS CB . 30334 1 357 . 1 1 40 40 CYS N N 15 122.214 0.010 . . . . . A 40 CYS N . 30334 1 358 . 1 1 41 41 GLY H H 1 9.490 0.000 . . . . . A 41 GLY H . 30334 1 359 . 1 1 41 41 GLY HA2 H 1 4.295 0.000 . . . . . A 41 GLY HA2 . 30334 1 360 . 1 1 41 41 GLY HA3 H 1 3.981 0.000 . . . . . A 41 GLY HA3 . 30334 1 361 . 1 1 41 41 GLY C C 13 174.230 0.000 . . . . . A 41 GLY C . 30334 1 362 . 1 1 41 41 GLY CA C 13 49.199 0.011 . . . . . A 41 GLY CA . 30334 1 363 . 1 1 41 41 GLY N N 15 120.006 0.002 . . . . . A 41 GLY N . 30334 1 364 . 1 1 42 42 PRO HA H 1 4.412 0.000 . . . . . A 42 PRO HA . 30334 1 365 . 1 1 42 42 PRO HB2 H 1 1.802 0.000 . . . . . A 42 PRO HB2 . 30334 1 366 . 1 1 42 42 PRO HB3 H 1 2.532 0.000 . . . . . A 42 PRO HB3 . 30334 1 367 . 1 1 42 42 PRO HG2 H 1 2.282 0.000 . . . . . A 42 PRO HG2 . 30334 1 368 . 1 1 42 42 PRO HD3 H 1 3.735 0.000 . . . . . A 42 PRO HD3 . 30334 1 369 . 1 1 42 42 PRO CA C 13 65.804 0.000 . . . . . A 42 PRO CA . 30334 1 370 . 1 1 42 42 PRO CB C 13 32.564 0.000 . . . . . A 42 PRO CB . 30334 1 371 . 1 1 42 42 PRO CG C 13 27.765 0.000 . . . . . A 42 PRO CG . 30334 1 372 . 1 1 42 42 PRO CD C 13 51.897 0.000 . . . . . A 42 PRO CD . 30334 1 373 . 1 1 43 43 CYS H H 1 7.877 0.003 . . . . . A 43 CYS H . 30334 1 374 . 1 1 43 43 CYS HA H 1 4.116 0.000 . . . . . A 43 CYS HA . 30334 1 375 . 1 1 43 43 CYS HB2 H 1 3.332 0.000 . . . . . A 43 CYS HB2 . 30334 1 376 . 1 1 43 43 CYS HB3 H 1 3.679 0.000 . . . . . A 43 CYS HB3 . 30334 1 377 . 1 1 43 43 CYS C C 13 178.585 0.000 . . . . . A 43 CYS C . 30334 1 378 . 1 1 43 43 CYS CA C 13 63.938 0.000 . . . . . A 43 CYS CA . 30334 1 379 . 1 1 43 43 CYS CB C 13 27.520 0.000 . . . . . A 43 CYS CB . 30334 1 380 . 1 1 43 43 CYS N N 15 113.659 0.034 . . . . . A 43 CYS N . 30334 1 381 . 1 1 44 44 LYS H H 1 8.027 0.003 . . . . . A 44 LYS H . 30334 1 382 . 1 1 44 44 LYS HA H 1 4.105 0.000 . . . . . A 44 LYS HA . 30334 1 383 . 1 1 44 44 LYS HB2 H 1 1.951 0.000 . . . . . A 44 LYS HB2 . 30334 1 384 . 1 1 44 44 LYS HB3 H 1 2.043 0.000 . . . . . A 44 LYS HB3 . 30334 1 385 . 1 1 44 44 LYS HG2 H 1 1.527 0.000 . . . . . A 44 LYS HG2 . 30334 1 386 . 1 1 44 44 LYS HG3 H 1 1.625 0.000 . . . . . A 44 LYS HG3 . 30334 1 387 . 1 1 44 44 LYS HD3 H 1 1.760 0.000 . . . . . A 44 LYS HD3 . 30334 1 388 . 1 1 44 44 LYS HE3 H 1 3.080 0.000 . . . . . A 44 LYS HE3 . 30334 1 389 . 1 1 44 44 LYS C C 13 177.369 0.000 . . . . . A 44 LYS C . 30334 1 390 . 1 1 44 44 LYS CA C 13 58.828 0.000 . . . . . A 44 LYS CA . 30334 1 391 . 1 1 44 44 LYS CB C 13 31.695 0.006 . . . . . A 44 LYS CB . 30334 1 392 . 1 1 44 44 LYS CG C 13 25.509 0.000 . . . . . A 44 LYS CG . 30334 1 393 . 1 1 44 44 LYS CD C 13 28.920 0.000 . . . . . A 44 LYS CD . 30334 1 394 . 1 1 44 44 LYS N N 15 120.079 0.010 . . . . . A 44 LYS N . 30334 1 395 . 1 1 45 45 MET H H 1 7.443 0.000 . . . . . A 45 MET H . 30334 1 396 . 1 1 45 45 MET HA H 1 4.290 0.000 . . . . . A 45 MET HA . 30334 1 397 . 1 1 45 45 MET HB2 H 1 2.173 0.000 . . . . . A 45 MET HB2 . 30334 1 398 . 1 1 45 45 MET HG2 H 1 2.563 0.000 . . . . . A 45 MET HG2 . 30334 1 399 . 1 1 45 45 MET HG3 H 1 2.667 0.000 . . . . . A 45 MET HG3 . 30334 1 400 . 1 1 45 45 MET C C 13 178.800 0.000 . . . . . A 45 MET C . 30334 1 401 . 1 1 45 45 MET CA C 13 57.485 0.024 . . . . . A 45 MET CA . 30334 1 402 . 1 1 45 45 MET CB C 13 32.033 0.134 . . . . . A 45 MET CB . 30334 1 403 . 1 1 45 45 MET CG C 13 31.817 0.000 . . . . . A 45 MET CG . 30334 1 404 . 1 1 45 45 MET N N 15 116.619 0.013 . . . . . A 45 MET N . 30334 1 405 . 1 1 46 46 VAL H H 1 7.237 0.002 . . . . . A 46 VAL H . 30334 1 406 . 1 1 46 46 VAL HA H 1 4.251 0.000 . . . . . A 46 VAL HA . 30334 1 407 . 1 1 46 46 VAL HB H 1 2.092 0.000 . . . . . A 46 VAL HB . 30334 1 408 . 1 1 46 46 VAL HG11 H 1 1.121 0.000 . . . . . A 46 VAL HG11 . 30334 1 409 . 1 1 46 46 VAL HG12 H 1 1.121 0.000 . . . . . A 46 VAL HG12 . 30334 1 410 . 1 1 46 46 VAL HG13 H 1 1.121 0.000 . . . . . A 46 VAL HG13 . 30334 1 411 . 1 1 46 46 VAL HG21 H 1 1.013 0.000 . . . . . A 46 VAL HG21 . 30334 1 412 . 1 1 46 46 VAL HG22 H 1 1.013 0.000 . . . . . A 46 VAL HG22 . 30334 1 413 . 1 1 46 46 VAL HG23 H 1 1.013 0.000 . . . . . A 46 VAL HG23 . 30334 1 414 . 1 1 46 46 VAL C C 13 177.996 0.000 . . . . . A 46 VAL C . 30334 1 415 . 1 1 46 46 VAL CA C 13 62.249 0.000 . . . . . A 46 VAL CA . 30334 1 416 . 1 1 46 46 VAL CB C 13 33.152 0.027 . . . . . A 46 VAL CB . 30334 1 417 . 1 1 46 46 VAL CG1 C 13 20.853 0.000 . . . . . A 46 VAL CG1 . 30334 1 418 . 1 1 46 46 VAL CG2 C 13 22.100 0.000 . . . . . A 46 VAL CG2 . 30334 1 419 . 1 1 46 46 VAL N N 15 113.665 0.000 . . . . . A 46 VAL N . 30334 1 420 . 1 1 47 47 ALA H H 1 7.234 0.001 . . . . . A 47 ALA H . 30334 1 421 . 1 1 47 47 ALA HA H 1 3.943 0.000 . . . . . A 47 ALA HA . 30334 1 422 . 1 1 47 47 ALA HB1 H 1 1.361 0.000 . . . . . A 47 ALA HB1 . 30334 1 423 . 1 1 47 47 ALA HB2 H 1 1.361 0.000 . . . . . A 47 ALA HB2 . 30334 1 424 . 1 1 47 47 ALA HB3 H 1 1.361 0.000 . . . . . A 47 ALA HB3 . 30334 1 425 . 1 1 47 47 ALA C C 13 176.378 0.000 . . . . . A 47 ALA C . 30334 1 426 . 1 1 47 47 ALA CA C 13 57.434 0.000 . . . . . A 47 ALA CA . 30334 1 427 . 1 1 47 47 ALA CB C 13 15.425 0.000 . . . . . A 47 ALA CB . 30334 1 428 . 1 1 47 47 ALA N N 15 124.108 0.003 . . . . . A 47 ALA N . 30334 1 429 . 1 1 48 48 PRO HA H 1 4.342 0.000 . . . . . A 48 PRO HA . 30334 1 430 . 1 1 48 48 PRO HB2 H 1 1.945 0.000 . . . . . A 48 PRO HB2 . 30334 1 431 . 1 1 48 48 PRO HB3 H 1 2.298 0.000 . . . . . A 48 PRO HB3 . 30334 1 432 . 1 1 48 48 PRO HG2 H 1 2.043 0.000 . . . . . A 48 PRO HG2 . 30334 1 433 . 1 1 48 48 PRO HD2 H 1 3.775 0.000 . . . . . A 48 PRO HD2 . 30334 1 434 . 1 1 48 48 PRO HD3 H 1 3.604 0.000 . . . . . A 48 PRO HD3 . 30334 1 435 . 1 1 48 48 PRO CA C 13 65.870 0.000 . . . . . A 48 PRO CA . 30334 1 436 . 1 1 48 48 PRO CB C 13 30.906 0.000 . . . . . A 48 PRO CB . 30334 1 437 . 1 1 48 48 PRO CG C 13 28.254 0.000 . . . . . A 48 PRO CG . 30334 1 438 . 1 1 48 48 PRO CD C 13 50.534 0.000 . . . . . A 48 PRO CD . 30334 1 439 . 1 1 49 49 VAL H H 1 6.724 0.001 . . . . . A 49 VAL H . 30334 1 440 . 1 1 49 49 VAL HA H 1 3.728 0.000 . . . . . A 49 VAL HA . 30334 1 441 . 1 1 49 49 VAL HB H 1 2.348 0.000 . . . . . A 49 VAL HB . 30334 1 442 . 1 1 49 49 VAL HG11 H 1 1.151 0.000 . . . . . A 49 VAL HG11 . 30334 1 443 . 1 1 49 49 VAL HG12 H 1 1.151 0.000 . . . . . A 49 VAL HG12 . 30334 1 444 . 1 1 49 49 VAL HG13 H 1 1.151 0.000 . . . . . A 49 VAL HG13 . 30334 1 445 . 1 1 49 49 VAL HG21 H 1 0.870 0.000 . . . . . A 49 VAL HG21 . 30334 1 446 . 1 1 49 49 VAL HG22 H 1 0.870 0.000 . . . . . A 49 VAL HG22 . 30334 1 447 . 1 1 49 49 VAL HG23 H 1 0.870 0.000 . . . . . A 49 VAL HG23 . 30334 1 448 . 1 1 49 49 VAL C C 13 179.644 0.000 . . . . . A 49 VAL C . 30334 1 449 . 1 1 49 49 VAL CA C 13 65.605 0.282 . . . . . A 49 VAL CA . 30334 1 450 . 1 1 49 49 VAL CB C 13 31.619 0.000 . . . . . A 49 VAL CB . 30334 1 451 . 1 1 49 49 VAL CG1 C 13 21.516 0.000 . . . . . A 49 VAL CG1 . 30334 1 452 . 1 1 49 49 VAL CG2 C 13 22.192 0.000 . . . . . A 49 VAL CG2 . 30334 1 453 . 1 1 49 49 VAL N N 15 118.747 0.004 . . . . . A 49 VAL N . 30334 1 454 . 1 1 50 50 LEU H H 1 7.833 0.002 . . . . . A 50 LEU H . 30334 1 455 . 1 1 50 50 LEU HA H 1 3.835 0.000 . . . . . A 50 LEU HA . 30334 1 456 . 1 1 50 50 LEU HB2 H 1 1.198 0.000 . . . . . A 50 LEU HB2 . 30334 1 457 . 1 1 50 50 LEU HB3 H 1 1.860 0.000 . . . . . A 50 LEU HB3 . 30334 1 458 . 1 1 50 50 LEU HG H 1 0.715 0.000 . . . . . A 50 LEU HG . 30334 1 459 . 1 1 50 50 LEU HD11 H 1 0.719 0.000 . . . . . A 50 LEU HD11 . 30334 1 460 . 1 1 50 50 LEU HD12 H 1 0.719 0.000 . . . . . A 50 LEU HD12 . 30334 1 461 . 1 1 50 50 LEU HD13 H 1 0.719 0.000 . . . . . A 50 LEU HD13 . 30334 1 462 . 1 1 50 50 LEU HD21 H 1 0.690 0.000 . . . . . A 50 LEU HD21 . 30334 1 463 . 1 1 50 50 LEU HD22 H 1 0.690 0.000 . . . . . A 50 LEU HD22 . 30334 1 464 . 1 1 50 50 LEU HD23 H 1 0.690 0.000 . . . . . A 50 LEU HD23 . 30334 1 465 . 1 1 50 50 LEU C C 13 178.111 0.000 . . . . . A 50 LEU C . 30334 1 466 . 1 1 50 50 LEU CA C 13 57.650 0.000 . . . . . A 50 LEU CA . 30334 1 467 . 1 1 50 50 LEU CB C 13 41.051 0.009 . . . . . A 50 LEU CB . 30334 1 468 . 1 1 50 50 LEU CG C 13 27.024 0.000 . . . . . A 50 LEU CG . 30334 1 469 . 1 1 50 50 LEU CD1 C 13 26.513 0.000 . . . . . A 50 LEU CD1 . 30334 1 470 . 1 1 50 50 LEU CD2 C 13 22.500 0.000 . . . . . A 50 LEU CD2 . 30334 1 471 . 1 1 50 50 LEU N N 15 118.469 0.007 . . . . . A 50 LEU N . 30334 1 472 . 1 1 51 51 GLU H H 1 7.379 0.002 . . . . . A 51 GLU H . 30334 1 473 . 1 1 51 51 GLU HA H 1 3.960 0.000 . . . . . A 51 GLU HA . 30334 1 474 . 1 1 51 51 GLU HB2 H 1 2.145 0.000 . . . . . A 51 GLU HB2 . 30334 1 475 . 1 1 51 51 GLU HB3 H 1 2.016 0.000 . . . . . A 51 GLU HB3 . 30334 1 476 . 1 1 51 51 GLU HG3 H 1 2.330 0.000 . . . . . A 51 GLU HG3 . 30334 1 477 . 1 1 51 51 GLU C C 13 178.711 0.000 . . . . . A 51 GLU C . 30334 1 478 . 1 1 51 51 GLU CA C 13 58.888 0.000 . . . . . A 51 GLU CA . 30334 1 479 . 1 1 51 51 GLU CB C 13 28.512 0.028 . . . . . A 51 GLU CB . 30334 1 480 . 1 1 51 51 GLU CG C 13 34.895 0.000 . . . . . A 51 GLU CG . 30334 1 481 . 1 1 51 51 GLU N N 15 116.953 0.012 . . . . . A 51 GLU N . 30334 1 482 . 1 1 52 52 GLU H H 1 7.475 0.001 . . . . . A 52 GLU H . 30334 1 483 . 1 1 52 52 GLU HA H 1 4.116 0.000 . . . . . A 52 GLU HA . 30334 1 484 . 1 1 52 52 GLU HB2 H 1 2.235 0.000 . . . . . A 52 GLU HB2 . 30334 1 485 . 1 1 52 52 GLU HB3 H 1 2.031 0.000 . . . . . A 52 GLU HB3 . 30334 1 486 . 1 1 52 52 GLU HG2 H 1 2.176 0.000 . . . . . A 52 GLU HG2 . 30334 1 487 . 1 1 52 52 GLU HG3 H 1 2.567 0.000 . . . . . A 52 GLU HG3 . 30334 1 488 . 1 1 52 52 GLU C C 13 178.702 0.000 . . . . . A 52 GLU C . 30334 1 489 . 1 1 52 52 GLU CA C 13 60.302 0.000 . . . . . A 52 GLU CA . 30334 1 490 . 1 1 52 52 GLU CB C 13 29.799 0.010 . . . . . A 52 GLU CB . 30334 1 491 . 1 1 52 52 GLU CG C 13 36.668 0.000 . . . . . A 52 GLU CG . 30334 1 492 . 1 1 52 52 GLU N N 15 118.413 0.009 . . . . . A 52 GLU N . 30334 1 493 . 1 1 53 53 ILE H H 1 8.257 0.003 . . . . . A 53 ILE H . 30334 1 494 . 1 1 53 53 ILE HA H 1 3.458 0.000 . . . . . A 53 ILE HA . 30334 1 495 . 1 1 53 53 ILE HB H 1 1.747 0.000 . . . . . A 53 ILE HB . 30334 1 496 . 1 1 53 53 ILE HG12 H 1 0.853 0.000 . . . . . A 53 ILE HG12 . 30334 1 497 . 1 1 53 53 ILE HG13 H 1 1.888 0.000 . . . . . A 53 ILE HG13 . 30334 1 498 . 1 1 53 53 ILE HG21 H 1 0.605 0.000 . . . . . A 53 ILE HG21 . 30334 1 499 . 1 1 53 53 ILE HG22 H 1 0.605 0.000 . . . . . A 53 ILE HG22 . 30334 1 500 . 1 1 53 53 ILE HG23 H 1 0.605 0.000 . . . . . A 53 ILE HG23 . 30334 1 501 . 1 1 53 53 ILE HD11 H 1 0.715 0.000 . . . . . A 53 ILE HD11 . 30334 1 502 . 1 1 53 53 ILE HD12 H 1 0.715 0.000 . . . . . A 53 ILE HD12 . 30334 1 503 . 1 1 53 53 ILE HD13 H 1 0.715 0.000 . . . . . A 53 ILE HD13 . 30334 1 504 . 1 1 53 53 ILE C C 13 179.497 0.000 . . . . . A 53 ILE C . 30334 1 505 . 1 1 53 53 ILE CA C 13 66.000 0.000 . . . . . A 53 ILE CA . 30334 1 506 . 1 1 53 53 ILE CB C 13 37.984 0.001 . . . . . A 53 ILE CB . 30334 1 507 . 1 1 53 53 ILE CG1 C 13 29.570 0.000 . . . . . A 53 ILE CG1 . 30334 1 508 . 1 1 53 53 ILE CG2 C 13 16.402 0.000 . . . . . A 53 ILE CG2 . 30334 1 509 . 1 1 53 53 ILE CD1 C 13 14.493 0.000 . . . . . A 53 ILE CD1 . 30334 1 510 . 1 1 53 53 ILE N N 15 118.934 0.008 . . . . . A 53 ILE N . 30334 1 511 . 1 1 54 54 ALA H H 1 8.462 0.001 . . . . . A 54 ALA H . 30334 1 512 . 1 1 54 54 ALA HA H 1 3.788 0.000 . . . . . A 54 ALA HA . 30334 1 513 . 1 1 54 54 ALA HB1 H 1 1.294 0.000 . . . . . A 54 ALA HB1 . 30334 1 514 . 1 1 54 54 ALA HB2 H 1 1.294 0.000 . . . . . A 54 ALA HB2 . 30334 1 515 . 1 1 54 54 ALA HB3 H 1 1.294 0.000 . . . . . A 54 ALA HB3 . 30334 1 516 . 1 1 54 54 ALA C C 13 176.783 0.000 . . . . . A 54 ALA C . 30334 1 517 . 1 1 54 54 ALA CA C 13 54.934 0.064 . . . . . A 54 ALA CA . 30334 1 518 . 1 1 54 54 ALA CB C 13 17.838 0.016 . . . . . A 54 ALA CB . 30334 1 519 . 1 1 54 54 ALA N N 15 120.687 0.011 . . . . . A 54 ALA N . 30334 1 520 . 1 1 55 55 ASN H H 1 7.664 0.001 . . . . . A 55 ASN H . 30334 1 521 . 1 1 55 55 ASN HA H 1 4.558 0.000 . . . . . A 55 ASN HA . 30334 1 522 . 1 1 55 55 ASN HB2 H 1 2.889 0.000 . . . . . A 55 ASN HB2 . 30334 1 523 . 1 1 55 55 ASN HB3 H 1 2.989 0.000 . . . . . A 55 ASN HB3 . 30334 1 524 . 1 1 55 55 ASN HD21 H 1 7.029 0.000 . . . . . A 55 ASN HD21 . 30334 1 525 . 1 1 55 55 ASN HD22 H 1 7.665 0.000 . . . . . A 55 ASN HD22 . 30334 1 526 . 1 1 55 55 ASN C C 13 180.026 0.000 . . . . . A 55 ASN C . 30334 1 527 . 1 1 55 55 ASN CA C 13 56.120 0.000 . . . . . A 55 ASN CA . 30334 1 528 . 1 1 55 55 ASN CB C 13 39.312 0.000 . . . . . A 55 ASN CB . 30334 1 529 . 1 1 55 55 ASN CG C 13 175.965 0.000 . . . . . A 55 ASN CG . 30334 1 530 . 1 1 55 55 ASN N N 15 114.563 0.005 . . . . . A 55 ASN N . 30334 1 531 . 1 1 55 55 ASN ND2 N 15 113.174 0.010 . . . . . A 55 ASN ND2 . 30334 1 532 . 1 1 56 56 GLU H H 1 8.555 0.002 . . . . . A 56 GLU H . 30334 1 533 . 1 1 56 56 GLU HA H 1 4.080 0.000 . . . . . A 56 GLU HA . 30334 1 534 . 1 1 56 56 GLU HB2 H 1 2.071 0.000 . . . . . A 56 GLU HB2 . 30334 1 535 . 1 1 56 56 GLU HG2 H 1 2.287 0.000 . . . . . A 56 GLU HG2 . 30334 1 536 . 1 1 56 56 GLU HG3 H 1 2.510 0.000 . . . . . A 56 GLU HG3 . 30334 1 537 . 1 1 56 56 GLU C C 13 178.013 0.000 . . . . . A 56 GLU C . 30334 1 538 . 1 1 56 56 GLU CA C 13 58.936 0.000 . . . . . A 56 GLU CA . 30334 1 539 . 1 1 56 56 GLU CB C 13 29.912 0.000 . . . . . A 56 GLU CB . 30334 1 540 . 1 1 56 56 GLU CG C 13 36.497 0.000 . . . . . A 56 GLU CG . 30334 1 541 . 1 1 56 56 GLU N N 15 120.289 0.018 . . . . . A 56 GLU N . 30334 1 542 . 1 1 57 57 LYS H H 1 8.219 0.001 . . . . . A 57 LYS H . 30334 1 543 . 1 1 57 57 LYS HA H 1 4.693 0.000 . . . . . A 57 LYS HA . 30334 1 544 . 1 1 57 57 LYS HB2 H 1 1.678 0.000 . . . . . A 57 LYS HB2 . 30334 1 545 . 1 1 57 57 LYS HB3 H 1 2.068 0.000 . . . . . A 57 LYS HB3 . 30334 1 546 . 1 1 57 57 LYS HG2 H 1 1.432 0.000 . . . . . A 57 LYS HG2 . 30334 1 547 . 1 1 57 57 LYS HG3 H 1 1.163 0.000 . . . . . A 57 LYS HG3 . 30334 1 548 . 1 1 57 57 LYS HD3 H 1 1.626 0.000 . . . . . A 57 LYS HD3 . 30334 1 549 . 1 1 57 57 LYS HE3 H 1 2.804 0.000 . . . . . A 57 LYS HE3 . 30334 1 550 . 1 1 57 57 LYS C C 13 178.651 0.000 . . . . . A 57 LYS C . 30334 1 551 . 1 1 57 57 LYS CA C 13 53.324 0.000 . . . . . A 57 LYS CA . 30334 1 552 . 1 1 57 57 LYS CB C 13 31.152 0.001 . . . . . A 57 LYS CB . 30334 1 553 . 1 1 57 57 LYS CG C 13 24.667 0.000 . . . . . A 57 LYS CG . 30334 1 554 . 1 1 57 57 LYS CD C 13 28.028 0.000 . . . . . A 57 LYS CD . 30334 1 555 . 1 1 57 57 LYS CE C 13 41.565 0.000 . . . . . A 57 LYS CE . 30334 1 556 . 1 1 57 57 LYS N N 15 114.755 0.008 . . . . . A 57 LYS N . 30334 1 557 . 1 1 58 58 SER H H 1 7.060 0.001 . . . . . A 58 SER H . 30334 1 558 . 1 1 58 58 SER HA H 1 4.308 0.000 . . . . . A 58 SER HA . 30334 1 559 . 1 1 58 58 SER HB2 H 1 4.031 0.000 . . . . . A 58 SER HB2 . 30334 1 560 . 1 1 58 58 SER HB3 H 1 4.142 0.000 . . . . . A 58 SER HB3 . 30334 1 561 . 1 1 58 58 SER C C 13 175.803 0.000 . . . . . A 58 SER C . 30334 1 562 . 1 1 58 58 SER CA C 13 60.390 0.015 . . . . . A 58 SER CA . 30334 1 563 . 1 1 58 58 SER CB C 13 63.198 0.013 . . . . . A 58 SER CB . 30334 1 564 . 1 1 58 58 SER N N 15 115.801 0.001 . . . . . A 58 SER N . 30334 1 565 . 1 1 59 59 GLY H H 1 9.207 0.001 . . . . . A 59 GLY H . 30334 1 566 . 1 1 59 59 GLY HA2 H 1 3.719 0.000 . . . . . A 59 GLY HA2 . 30334 1 567 . 1 1 59 59 GLY HA3 H 1 4.363 0.000 . . . . . A 59 GLY HA3 . 30334 1 568 . 1 1 59 59 GLY C C 13 176.067 0.000 . . . . . A 59 GLY C . 30334 1 569 . 1 1 59 59 GLY CA C 13 45.450 0.002 . . . . . A 59 GLY CA . 30334 1 570 . 1 1 59 59 GLY N N 15 115.526 0.004 . . . . . A 59 GLY N . 30334 1 571 . 1 1 60 60 THR H H 1 8.115 0.001 . . . . . A 60 THR H . 30334 1 572 . 1 1 60 60 THR HA H 1 4.482 0.000 . . . . . A 60 THR HA . 30334 1 573 . 1 1 60 60 THR HB H 1 4.192 0.000 . . . . . A 60 THR HB . 30334 1 574 . 1 1 60 60 THR HG21 H 1 1.186 0.000 . . . . . A 60 THR HG21 . 30334 1 575 . 1 1 60 60 THR HG22 H 1 1.186 0.000 . . . . . A 60 THR HG22 . 30334 1 576 . 1 1 60 60 THR HG23 H 1 1.186 0.000 . . . . . A 60 THR HG23 . 30334 1 577 . 1 1 60 60 THR C C 13 174.531 0.000 . . . . . A 60 THR C . 30334 1 578 . 1 1 60 60 THR CA C 13 62.390 0.000 . . . . . A 60 THR CA . 30334 1 579 . 1 1 60 60 THR CB C 13 70.470 0.000 . . . . . A 60 THR CB . 30334 1 580 . 1 1 60 60 THR CG2 C 13 21.968 0.000 . . . . . A 60 THR CG2 . 30334 1 581 . 1 1 60 60 THR N N 15 111.915 0.003 . . . . . A 60 THR N . 30334 1 582 . 1 1 61 61 LEU H H 1 7.710 0.002 . . . . . A 61 LEU H . 30334 1 583 . 1 1 61 61 LEU HA H 1 4.586 0.000 . . . . . A 61 LEU HA . 30334 1 584 . 1 1 61 61 LEU HB2 H 1 1.238 0.000 . . . . . A 61 LEU HB2 . 30334 1 585 . 1 1 61 61 LEU HB3 H 1 1.585 0.000 . . . . . A 61 LEU HB3 . 30334 1 586 . 1 1 61 61 LEU HG H 1 0.580 0.000 . . . . . A 61 LEU HG . 30334 1 587 . 1 1 61 61 LEU HD11 H 1 0.771 0.000 . . . . . A 61 LEU HD11 . 30334 1 588 . 1 1 61 61 LEU HD12 H 1 0.771 0.000 . . . . . A 61 LEU HD12 . 30334 1 589 . 1 1 61 61 LEU HD13 H 1 0.771 0.000 . . . . . A 61 LEU HD13 . 30334 1 590 . 1 1 61 61 LEU C C 13 172.943 0.000 . . . . . A 61 LEU C . 30334 1 591 . 1 1 61 61 LEU CA C 13 54.333 0.055 . . . . . A 61 LEU CA . 30334 1 592 . 1 1 61 61 LEU CB C 13 46.367 0.032 . . . . . A 61 LEU CB . 30334 1 593 . 1 1 61 61 LEU CG C 13 26.795 0.000 . . . . . A 61 LEU CG . 30334 1 594 . 1 1 61 61 LEU CD2 C 13 23.975 0.000 . . . . . A 61 LEU CD2 . 30334 1 595 . 1 1 61 61 LEU N N 15 121.034 0.000 . . . . . A 61 LEU N . 30334 1 596 . 1 1 62 62 LYS H H 1 8.574 0.000 . . . . . A 62 LYS H . 30334 1 597 . 1 1 62 62 LYS HA H 1 4.462 0.000 . . . . . A 62 LYS HA . 30334 1 598 . 1 1 62 62 LYS HB2 H 1 1.654 0.000 . . . . . A 62 LYS HB2 . 30334 1 599 . 1 1 62 62 LYS HB3 H 1 1.707 0.000 . . . . . A 62 LYS HB3 . 30334 1 600 . 1 1 62 62 LYS HG2 H 1 1.158 0.000 . . . . . A 62 LYS HG2 . 30334 1 601 . 1 1 62 62 LYS HG3 H 1 1.530 0.000 . . . . . A 62 LYS HG3 . 30334 1 602 . 1 1 62 62 LYS HD3 H 1 1.635 0.000 . . . . . A 62 LYS HD3 . 30334 1 603 . 1 1 62 62 LYS HE3 H 1 2.822 0.000 . . . . . A 62 LYS HE3 . 30334 1 604 . 1 1 62 62 LYS C C 13 174.275 0.000 . . . . . A 62 LYS C . 30334 1 605 . 1 1 62 62 LYS CA C 13 55.063 0.000 . . . . . A 62 LYS CA . 30334 1 606 . 1 1 62 62 LYS CB C 13 34.378 0.000 . . . . . A 62 LYS CB . 30334 1 607 . 1 1 62 62 LYS CG C 13 24.911 0.000 . . . . . A 62 LYS CG . 30334 1 608 . 1 1 62 62 LYS CD C 13 29.272 0.000 . . . . . A 62 LYS CD . 30334 1 609 . 1 1 62 62 LYS CE C 13 42.110 0.000 . . . . . A 62 LYS CE . 30334 1 610 . 1 1 62 62 LYS N N 15 128.036 0.002 . . . . . A 62 LYS N . 30334 1 611 . 1 1 63 63 VAL H H 1 9.280 0.001 . . . . . A 63 VAL H . 30334 1 612 . 1 1 63 63 VAL HA H 1 4.858 0.000 . . . . . A 63 VAL HA . 30334 1 613 . 1 1 63 63 VAL HB H 1 1.846 0.000 . . . . . A 63 VAL HB . 30334 1 614 . 1 1 63 63 VAL HG11 H 1 0.833 0.000 . . . . . A 63 VAL HG11 . 30334 1 615 . 1 1 63 63 VAL HG12 H 1 0.833 0.000 . . . . . A 63 VAL HG12 . 30334 1 616 . 1 1 63 63 VAL HG13 H 1 0.833 0.000 . . . . . A 63 VAL HG13 . 30334 1 617 . 1 1 63 63 VAL HG21 H 1 0.746 0.000 . . . . . A 63 VAL HG21 . 30334 1 618 . 1 1 63 63 VAL HG22 H 1 0.746 0.000 . . . . . A 63 VAL HG22 . 30334 1 619 . 1 1 63 63 VAL HG23 H 1 0.746 0.000 . . . . . A 63 VAL HG23 . 30334 1 620 . 1 1 63 63 VAL C C 13 174.101 0.000 . . . . . A 63 VAL C . 30334 1 621 . 1 1 63 63 VAL CA C 13 61.505 0.024 . . . . . A 63 VAL CA . 30334 1 622 . 1 1 63 63 VAL CB C 13 32.495 0.028 . . . . . A 63 VAL CB . 30334 1 623 . 1 1 63 63 VAL CG1 C 13 20.827 0.000 . . . . . A 63 VAL CG1 . 30334 1 624 . 1 1 63 63 VAL CG2 C 13 22.511 0.000 . . . . . A 63 VAL CG2 . 30334 1 625 . 1 1 63 63 VAL N N 15 127.011 0.002 . . . . . A 63 VAL N . 30334 1 626 . 1 1 64 64 ALA H H 1 9.336 0.002 . . . . . A 64 ALA H . 30334 1 627 . 1 1 64 64 ALA HA H 1 5.537 0.000 . . . . . A 64 ALA HA . 30334 1 628 . 1 1 64 64 ALA HB1 H 1 0.925 0.000 . . . . . A 64 ALA HB1 . 30334 1 629 . 1 1 64 64 ALA HB2 H 1 0.925 0.000 . . . . . A 64 ALA HB2 . 30334 1 630 . 1 1 64 64 ALA HB3 H 1 0.925 0.000 . . . . . A 64 ALA HB3 . 30334 1 631 . 1 1 64 64 ALA C C 13 173.076 0.000 . . . . . A 64 ALA C . 30334 1 632 . 1 1 64 64 ALA CA C 13 48.618 0.061 . . . . . A 64 ALA CA . 30334 1 633 . 1 1 64 64 ALA CB C 13 23.937 0.000 . . . . . A 64 ALA CB . 30334 1 634 . 1 1 64 64 ALA N N 15 129.528 0.006 . . . . . A 64 ALA N . 30334 1 635 . 1 1 65 65 LYS H H 1 8.872 0.000 . . . . . A 65 LYS H . 30334 1 636 . 1 1 65 65 LYS HA H 1 5.031 0.000 . . . . . A 65 LYS HA . 30334 1 637 . 1 1 65 65 LYS HB3 H 1 1.776 0.000 . . . . . A 65 LYS HB3 . 30334 1 638 . 1 1 65 65 LYS HG2 H 1 1.193 0.000 . . . . . A 65 LYS HG2 . 30334 1 639 . 1 1 65 65 LYS HG3 H 1 1.398 0.000 . . . . . A 65 LYS HG3 . 30334 1 640 . 1 1 65 65 LYS HD2 H 1 1.436 0.000 . . . . . A 65 LYS HD2 . 30334 1 641 . 1 1 65 65 LYS HD3 H 1 1.619 0.000 . . . . . A 65 LYS HD3 . 30334 1 642 . 1 1 65 65 LYS HE3 H 1 2.739 0.000 . . . . . A 65 LYS HE3 . 30334 1 643 . 1 1 65 65 LYS C C 13 175.596 0.000 . . . . . A 65 LYS C . 30334 1 644 . 1 1 65 65 LYS CA C 13 55.129 0.000 . . . . . A 65 LYS CA . 30334 1 645 . 1 1 65 65 LYS CB C 13 34.837 0.000 . . . . . A 65 LYS CB . 30334 1 646 . 1 1 65 65 LYS CG C 13 24.161 0.000 . . . . . A 65 LYS CG . 30334 1 647 . 1 1 65 65 LYS CD C 13 28.145 0.000 . . . . . A 65 LYS CD . 30334 1 648 . 1 1 65 65 LYS N N 15 119.196 0.010 . . . . . A 65 LYS N . 30334 1 649 . 1 1 66 66 LEU H H 1 8.989 0.001 . . . . . A 66 LEU H . 30334 1 650 . 1 1 66 66 LEU HA H 1 4.745 0.000 . . . . . A 66 LEU HA . 30334 1 651 . 1 1 66 66 LEU HB2 H 1 0.835 0.000 . . . . . A 66 LEU HB2 . 30334 1 652 . 1 1 66 66 LEU HB3 H 1 1.248 0.000 . . . . . A 66 LEU HB3 . 30334 1 653 . 1 1 66 66 LEU HG H 1 0.931 0.000 . . . . . A 66 LEU HG . 30334 1 654 . 1 1 66 66 LEU C C 13 173.756 0.000 . . . . . A 66 LEU C . 30334 1 655 . 1 1 66 66 LEU CA C 13 53.323 0.000 . . . . . A 66 LEU CA . 30334 1 656 . 1 1 66 66 LEU CB C 13 44.652 0.037 . . . . . A 66 LEU CB . 30334 1 657 . 1 1 66 66 LEU CG C 13 25.203 0.000 . . . . . A 66 LEU CG . 30334 1 658 . 1 1 66 66 LEU N N 15 125.596 0.005 . . . . . A 66 LEU N . 30334 1 659 . 1 1 67 67 ASP H H 1 8.715 0.001 . . . . . A 67 ASP H . 30334 1 660 . 1 1 67 67 ASP HA H 1 3.860 0.000 . . . . . A 67 ASP HA . 30334 1 661 . 1 1 67 67 ASP HB3 H 1 2.444 0.000 . . . . . A 67 ASP HB3 . 30334 1 662 . 1 1 67 67 ASP C C 13 173.226 0.000 . . . . . A 67 ASP C . 30334 1 663 . 1 1 67 67 ASP CA C 13 52.030 0.000 . . . . . A 67 ASP CA . 30334 1 664 . 1 1 67 67 ASP CB C 13 40.308 0.011 . . . . . A 67 ASP CB . 30334 1 665 . 1 1 67 67 ASP N N 15 126.840 0.011 . . . . . A 67 ASP N . 30334 1 666 . 1 1 68 68 VAL H H 1 9.120 0.002 . . . . . A 68 VAL H . 30334 1 667 . 1 1 68 68 VAL HA H 1 3.852 0.000 . . . . . A 68 VAL HA . 30334 1 668 . 1 1 68 68 VAL HB H 1 2.186 0.000 . . . . . A 68 VAL HB . 30334 1 669 . 1 1 68 68 VAL HG11 H 1 1.197 0.000 . . . . . A 68 VAL HG11 . 30334 1 670 . 1 1 68 68 VAL HG12 H 1 1.197 0.000 . . . . . A 68 VAL HG12 . 30334 1 671 . 1 1 68 68 VAL HG13 H 1 1.197 0.000 . . . . . A 68 VAL HG13 . 30334 1 672 . 1 1 68 68 VAL HG21 H 1 0.884 0.000 . . . . . A 68 VAL HG21 . 30334 1 673 . 1 1 68 68 VAL HG22 H 1 0.884 0.000 . . . . . A 68 VAL HG22 . 30334 1 674 . 1 1 68 68 VAL HG23 H 1 0.884 0.000 . . . . . A 68 VAL HG23 . 30334 1 675 . 1 1 68 68 VAL C C 13 178.952 0.000 . . . . . A 68 VAL C . 30334 1 676 . 1 1 68 68 VAL CA C 13 64.186 0.000 . . . . . A 68 VAL CA . 30334 1 677 . 1 1 68 68 VAL CB C 13 31.103 0.000 . . . . . A 68 VAL CB . 30334 1 678 . 1 1 68 68 VAL CG1 C 13 23.570 0.021 . . . . . A 68 VAL CG1 . 30334 1 679 . 1 1 68 68 VAL CG2 C 13 18.884 0.000 . . . . . A 68 VAL CG2 . 30334 1 680 . 1 1 68 68 VAL N N 15 124.404 0.007 . . . . . A 68 VAL N . 30334 1 681 . 1 1 69 69 ASP H H 1 7.976 0.001 . . . . . A 69 ASP H . 30334 1 682 . 1 1 69 69 ASP HA H 1 4.519 0.000 . . . . . A 69 ASP HA . 30334 1 683 . 1 1 69 69 ASP HB2 H 1 2.665 0.000 . . . . . A 69 ASP HB2 . 30334 1 684 . 1 1 69 69 ASP HB3 H 1 2.825 0.000 . . . . . A 69 ASP HB3 . 30334 1 685 . 1 1 69 69 ASP C C 13 176.934 0.000 . . . . . A 69 ASP C . 30334 1 686 . 1 1 69 69 ASP CA C 13 56.598 0.000 . . . . . A 69 ASP CA . 30334 1 687 . 1 1 69 69 ASP CB C 13 40.422 0.000 . . . . . A 69 ASP CB . 30334 1 688 . 1 1 69 69 ASP N N 15 120.723 0.006 . . . . . A 69 ASP N . 30334 1 689 . 1 1 70 70 ALA H H 1 6.741 0.001 . . . . . A 70 ALA H . 30334 1 690 . 1 1 70 70 ALA HA H 1 4.439 0.007 . . . . . A 70 ALA HA . 30334 1 691 . 1 1 70 70 ALA HB1 H 1 1.395 0.008 . . . . . A 70 ALA HB1 . 30334 1 692 . 1 1 70 70 ALA HB2 H 1 1.395 0.008 . . . . . A 70 ALA HB2 . 30334 1 693 . 1 1 70 70 ALA HB3 H 1 1.395 0.008 . . . . . A 70 ALA HB3 . 30334 1 694 . 1 1 70 70 ALA C C 13 177.559 0.000 . . . . . A 70 ALA C . 30334 1 695 . 1 1 70 70 ALA CA C 13 51.613 0.061 . . . . . A 70 ALA CA . 30334 1 696 . 1 1 70 70 ALA CB C 13 20.871 0.082 . . . . . A 70 ALA CB . 30334 1 697 . 1 1 70 70 ALA N N 15 119.223 0.002 . . . . . A 70 ALA N . 30334 1 698 . 1 1 71 71 ASN H H 1 7.254 0.004 . . . . . A 71 ASN H . 30334 1 699 . 1 1 71 71 ASN HA H 1 5.311 0.013 . . . . . A 71 ASN HA . 30334 1 700 . 1 1 71 71 ASN HB2 H 1 2.777 0.000 . . . . . A 71 ASN HB2 . 30334 1 701 . 1 1 71 71 ASN HB3 H 1 2.640 0.000 . . . . . A 71 ASN HB3 . 30334 1 702 . 1 1 71 71 ASN HD21 H 1 8.292 0.000 . . . . . A 71 ASN HD21 . 30334 1 703 . 1 1 71 71 ASN HD22 H 1 7.255 0.000 . . . . . A 71 ASN HD22 . 30334 1 704 . 1 1 71 71 ASN C C 13 176.849 0.000 . . . . . A 71 ASN C . 30334 1 705 . 1 1 71 71 ASN CA C 13 51.785 0.000 . . . . . A 71 ASN CA . 30334 1 706 . 1 1 71 71 ASN CB C 13 41.007 0.000 . . . . . A 71 ASN CB . 30334 1 707 . 1 1 71 71 ASN N N 15 116.263 0.018 . . . . . A 71 ASN N . 30334 1 708 . 1 1 71 71 ASN ND2 N 15 120.822 0.004 . . . . . A 71 ASN ND2 . 30334 1 709 . 1 1 72 72 PRO HA H 1 4.455 0.000 . . . . . A 72 PRO HA . 30334 1 710 . 1 1 72 72 PRO HB2 H 1 1.946 0.010 . . . . . A 72 PRO HB2 . 30334 1 711 . 1 1 72 72 PRO HB3 H 1 2.379 0.003 . . . . . A 72 PRO HB3 . 30334 1 712 . 1 1 72 72 PRO HG2 H 1 2.032 0.000 . . . . . A 72 PRO HG2 . 30334 1 713 . 1 1 72 72 PRO HD2 H 1 3.307 0.000 . . . . . A 72 PRO HD2 . 30334 1 714 . 1 1 72 72 PRO HD3 H 1 3.822 0.000 . . . . . A 72 PRO HD3 . 30334 1 715 . 1 1 72 72 PRO CA C 13 63.890 0.000 . . . . . A 72 PRO CA . 30334 1 716 . 1 1 72 72 PRO CB C 13 32.705 0.000 . . . . . A 72 PRO CB . 30334 1 717 . 1 1 72 72 PRO CG C 13 27.004 0.000 . . . . . A 72 PRO CG . 30334 1 718 . 1 1 72 72 PRO CD C 13 49.984 0.000 . . . . . A 72 PRO CD . 30334 1 719 . 1 1 73 73 GLU H H 1 9.869 0.002 . . . . . A 73 GLU H . 30334 1 720 . 1 1 73 73 GLU HA H 1 3.944 0.000 . . . . . A 73 GLU HA . 30334 1 721 . 1 1 73 73 GLU HB2 H 1 1.943 0.000 . . . . . A 73 GLU HB2 . 30334 1 722 . 1 1 73 73 GLU HB3 H 1 1.879 0.000 . . . . . A 73 GLU HB3 . 30334 1 723 . 1 1 73 73 GLU HG2 H 1 2.145 0.000 . . . . . A 73 GLU HG2 . 30334 1 724 . 1 1 73 73 GLU HG3 H 1 2.349 0.000 . . . . . A 73 GLU HG3 . 30334 1 725 . 1 1 73 73 GLU C C 13 180.578 0.000 . . . . . A 73 GLU C . 30334 1 726 . 1 1 73 73 GLU CA C 13 60.133 0.002 . . . . . A 73 GLU CA . 30334 1 727 . 1 1 73 73 GLU CB C 13 28.036 0.006 . . . . . A 73 GLU CB . 30334 1 728 . 1 1 73 73 GLU CG C 13 36.442 0.000 . . . . . A 73 GLU CG . 30334 1 729 . 1 1 73 73 GLU N N 15 123.774 0.012 . . . . . A 73 GLU N . 30334 1 730 . 1 1 74 74 ALA H H 1 9.917 0.001 . . . . . A 74 ALA H . 30334 1 731 . 1 1 74 74 ALA HA H 1 3.996 0.000 . . . . . A 74 ALA HA . 30334 1 732 . 1 1 74 74 ALA HB1 H 1 0.993 0.000 . . . . . A 74 ALA HB1 . 30334 1 733 . 1 1 74 74 ALA HB2 H 1 0.993 0.000 . . . . . A 74 ALA HB2 . 30334 1 734 . 1 1 74 74 ALA HB3 H 1 0.993 0.000 . . . . . A 74 ALA HB3 . 30334 1 735 . 1 1 74 74 ALA C C 13 178.641 0.000 . . . . . A 74 ALA C . 30334 1 736 . 1 1 74 74 ALA CA C 13 54.915 0.060 . . . . . A 74 ALA CA . 30334 1 737 . 1 1 74 74 ALA CB C 13 17.803 0.018 . . . . . A 74 ALA CB . 30334 1 738 . 1 1 74 74 ALA N N 15 124.478 0.007 . . . . . A 74 ALA N . 30334 1 739 . 1 1 75 75 ALA H H 1 6.876 0.001 . . . . . A 75 ALA H . 30334 1 740 . 1 1 75 75 ALA HA H 1 3.879 0.000 . . . . . A 75 ALA HA . 30334 1 741 . 1 1 75 75 ALA HB1 H 1 1.488 0.000 . . . . . A 75 ALA HB1 . 30334 1 742 . 1 1 75 75 ALA HB2 H 1 1.488 0.000 . . . . . A 75 ALA HB2 . 30334 1 743 . 1 1 75 75 ALA HB3 H 1 1.488 0.000 . . . . . A 75 ALA HB3 . 30334 1 744 . 1 1 75 75 ALA C C 13 179.958 0.000 . . . . . A 75 ALA C . 30334 1 745 . 1 1 75 75 ALA CA C 13 54.984 0.000 . . . . . A 75 ALA CA . 30334 1 746 . 1 1 75 75 ALA CB C 13 18.144 0.000 . . . . . A 75 ALA CB . 30334 1 747 . 1 1 75 75 ALA N N 15 115.081 0.003 . . . . . A 75 ALA N . 30334 1 748 . 1 1 76 76 ARG H H 1 7.730 0.001 . . . . . A 76 ARG H . 30334 1 749 . 1 1 76 76 ARG HA H 1 4.089 0.000 . . . . . A 76 ARG HA . 30334 1 750 . 1 1 76 76 ARG HB2 H 1 2.036 0.000 . . . . . A 76 ARG HB2 . 30334 1 751 . 1 1 76 76 ARG HB3 H 1 1.936 0.000 . . . . . A 76 ARG HB3 . 30334 1 752 . 1 1 76 76 ARG HG2 H 1 1.704 0.000 . . . . . A 76 ARG HG2 . 30334 1 753 . 1 1 76 76 ARG HG3 H 1 1.481 0.000 . . . . . A 76 ARG HG3 . 30334 1 754 . 1 1 76 76 ARG HD2 H 1 3.193 0.000 . . . . . A 76 ARG HD2 . 30334 1 755 . 1 1 76 76 ARG HE H 1 7.150 0.000 . . . . . A 76 ARG HE . 30334 1 756 . 1 1 76 76 ARG C C 13 178.535 0.000 . . . . . A 76 ARG C . 30334 1 757 . 1 1 76 76 ARG CA C 13 58.948 0.010 . . . . . A 76 ARG CA . 30334 1 758 . 1 1 76 76 ARG CB C 13 29.840 0.017 . . . . . A 76 ARG CB . 30334 1 759 . 1 1 76 76 ARG CG C 13 26.840 0.000 . . . . . A 76 ARG CG . 30334 1 760 . 1 1 76 76 ARG CD C 13 43.356 0.000 . . . . . A 76 ARG CD . 30334 1 761 . 1 1 76 76 ARG N N 15 118.266 0.003 . . . . . A 76 ARG N . 30334 1 762 . 1 1 76 76 ARG NE N 15 120.646 0.000 . . . . . A 76 ARG NE . 30334 1 763 . 1 1 77 77 ASP H H 1 9.027 0.003 . . . . . A 77 ASP H . 30334 1 764 . 1 1 77 77 ASP HA H 1 4.106 0.000 . . . . . A 77 ASP HA . 30334 1 765 . 1 1 77 77 ASP HB2 H 1 1.887 0.000 . . . . . A 77 ASP HB2 . 30334 1 766 . 1 1 77 77 ASP HB3 H 1 2.424 0.000 . . . . . A 77 ASP HB3 . 30334 1 767 . 1 1 77 77 ASP C C 13 180.869 0.000 . . . . . A 77 ASP C . 30334 1 768 . 1 1 77 77 ASP CA C 13 56.897 0.000 . . . . . A 77 ASP CA . 30334 1 769 . 1 1 77 77 ASP CB C 13 39.531 0.000 . . . . . A 77 ASP CB . 30334 1 770 . 1 1 77 77 ASP N N 15 122.357 0.002 . . . . . A 77 ASP N . 30334 1 771 . 1 1 78 78 PHE H H 1 7.344 0.002 . . . . . A 78 PHE H . 30334 1 772 . 1 1 78 78 PHE HA H 1 4.590 0.000 . . . . . A 78 PHE HA . 30334 1 773 . 1 1 78 78 PHE HB2 H 1 2.338 0.000 . . . . . A 78 PHE HB2 . 30334 1 774 . 1 1 78 78 PHE HB3 H 1 3.254 0.000 . . . . . A 78 PHE HB3 . 30334 1 775 . 1 1 78 78 PHE HD1 H 1 7.485 0.000 . . . . . A 78 PHE HD1 . 30334 1 776 . 1 1 78 78 PHE HD2 H 1 7.485 0.000 . . . . . A 78 PHE HD2 . 30334 1 777 . 1 1 78 78 PHE C C 13 177.464 0.000 . . . . . A 78 PHE C . 30334 1 778 . 1 1 78 78 PHE CA C 13 58.447 0.000 . . . . . A 78 PHE CA . 30334 1 779 . 1 1 78 78 PHE CB C 13 37.637 0.004 . . . . . A 78 PHE CB . 30334 1 780 . 1 1 78 78 PHE CD1 C 13 135.540 0.000 . . . . . A 78 PHE CD1 . 30334 1 781 . 1 1 78 78 PHE CD2 C 13 135.540 0.000 . . . . . A 78 PHE CD2 . 30334 1 782 . 1 1 78 78 PHE N N 15 113.348 0.002 . . . . . A 78 PHE N . 30334 1 783 . 1 1 79 79 GLN H H 1 7.784 0.008 . . . . . A 79 GLN H . 30334 1 784 . 1 1 79 79 GLN HA H 1 3.836 0.000 . . . . . A 79 GLN HA . 30334 1 785 . 1 1 79 79 GLN HB2 H 1 2.062 0.000 . . . . . A 79 GLN HB2 . 30334 1 786 . 1 1 79 79 GLN HB3 H 1 2.154 0.000 . . . . . A 79 GLN HB3 . 30334 1 787 . 1 1 79 79 GLN HG2 H 1 2.172 0.000 . . . . . A 79 GLN HG2 . 30334 1 788 . 1 1 79 79 GLN HG3 H 1 2.302 0.000 . . . . . A 79 GLN HG3 . 30334 1 789 . 1 1 79 79 GLN HE21 H 1 6.657 0.000 . . . . . A 79 GLN HE21 . 30334 1 790 . 1 1 79 79 GLN HE22 H 1 7.488 0.000 . . . . . A 79 GLN HE22 . 30334 1 791 . 1 1 79 79 GLN C C 13 173.522 0.000 . . . . . A 79 GLN C . 30334 1 792 . 1 1 79 79 GLN CA C 13 56.503 0.017 . . . . . A 79 GLN CA . 30334 1 793 . 1 1 79 79 GLN CB C 13 25.993 0.024 . . . . . A 79 GLN CB . 30334 1 794 . 1 1 79 79 GLN CG C 13 34.207 0.000 . . . . . A 79 GLN CG . 30334 1 795 . 1 1 79 79 GLN CD C 13 180.980 0.000 . . . . . A 79 GLN CD . 30334 1 796 . 1 1 79 79 GLN N N 15 116.833 0.005 . . . . . A 79 GLN N . 30334 1 797 . 1 1 79 79 GLN NE2 N 15 112.392 0.001 . . . . . A 79 GLN NE2 . 30334 1 798 . 1 1 80 80 VAL H H 1 8.554 0.001 . . . . . A 80 VAL H . 30334 1 799 . 1 1 80 80 VAL HA H 1 3.769 0.000 . . . . . A 80 VAL HA . 30334 1 800 . 1 1 80 80 VAL HB H 1 1.756 0.000 . . . . . A 80 VAL HB . 30334 1 801 . 1 1 80 80 VAL HG11 H 1 0.703 0.000 . . . . . A 80 VAL HG11 . 30334 1 802 . 1 1 80 80 VAL HG12 H 1 0.703 0.000 . . . . . A 80 VAL HG12 . 30334 1 803 . 1 1 80 80 VAL HG13 H 1 0.703 0.000 . . . . . A 80 VAL HG13 . 30334 1 804 . 1 1 80 80 VAL HG21 H 1 -0.021 0.000 . . . . . A 80 VAL HG21 . 30334 1 805 . 1 1 80 80 VAL HG22 H 1 -0.021 0.000 . . . . . A 80 VAL HG22 . 30334 1 806 . 1 1 80 80 VAL HG23 H 1 -0.021 0.000 . . . . . A 80 VAL HG23 . 30334 1 807 . 1 1 80 80 VAL C C 13 174.982 0.000 . . . . . A 80 VAL C . 30334 1 808 . 1 1 80 80 VAL CA C 13 63.892 0.052 . . . . . A 80 VAL CA . 30334 1 809 . 1 1 80 80 VAL CB C 13 29.995 0.034 . . . . . A 80 VAL CB . 30334 1 810 . 1 1 80 80 VAL CG1 C 13 20.843 0.000 . . . . . A 80 VAL CG1 . 30334 1 811 . 1 1 80 80 VAL CG2 C 13 21.585 0.000 . . . . . A 80 VAL CG2 . 30334 1 812 . 1 1 80 80 VAL N N 15 120.679 0.005 . . . . . A 80 VAL N . 30334 1 813 . 1 1 81 81 VAL H H 1 8.163 0.002 . . . . . A 81 VAL H . 30334 1 814 . 1 1 81 81 VAL HA H 1 4.341 0.000 . . . . . A 81 VAL HA . 30334 1 815 . 1 1 81 81 VAL HB H 1 2.202 0.000 . . . . . A 81 VAL HB . 30334 1 816 . 1 1 81 81 VAL HG11 H 1 0.846 0.000 . . . . . A 81 VAL HG11 . 30334 1 817 . 1 1 81 81 VAL HG12 H 1 0.846 0.000 . . . . . A 81 VAL HG12 . 30334 1 818 . 1 1 81 81 VAL HG13 H 1 0.846 0.000 . . . . . A 81 VAL HG13 . 30334 1 819 . 1 1 81 81 VAL HG21 H 1 0.847 0.000 . . . . . A 81 VAL HG21 . 30334 1 820 . 1 1 81 81 VAL HG22 H 1 0.847 0.000 . . . . . A 81 VAL HG22 . 30334 1 821 . 1 1 81 81 VAL HG23 H 1 0.847 0.000 . . . . . A 81 VAL HG23 . 30334 1 822 . 1 1 81 81 VAL C C 13 175.734 0.000 . . . . . A 81 VAL C . 30334 1 823 . 1 1 81 81 VAL CA C 13 61.853 0.080 . . . . . A 81 VAL CA . 30334 1 824 . 1 1 81 81 VAL CB C 13 33.007 0.074 . . . . . A 81 VAL CB . 30334 1 825 . 1 1 81 81 VAL CG1 C 13 18.909 0.000 . . . . . A 81 VAL CG1 . 30334 1 826 . 1 1 81 81 VAL CG2 C 13 21.051 0.000 . . . . . A 81 VAL CG2 . 30334 1 827 . 1 1 81 81 VAL N N 15 123.569 0.045 . . . . . A 81 VAL N . 30334 1 828 . 1 1 82 82 SER H H 1 7.943 0.000 . . . . . A 82 SER H . 30334 1 829 . 1 1 82 82 SER HA H 1 4.745 0.000 . . . . . A 82 SER HA . 30334 1 830 . 1 1 82 82 SER HB3 H 1 3.699 0.000 . . . . . A 82 SER HB3 . 30334 1 831 . 1 1 82 82 SER C C 13 175.409 0.000 . . . . . A 82 SER C . 30334 1 832 . 1 1 82 82 SER CA C 13 57.056 0.000 . . . . . A 82 SER CA . 30334 1 833 . 1 1 82 82 SER CB C 13 64.856 0.143 . . . . . A 82 SER CB . 30334 1 834 . 1 1 82 82 SER N N 15 117.279 0.029 . . . . . A 82 SER N . 30334 1 835 . 1 1 83 83 ILE H H 1 8.484 0.002 . . . . . A 83 ILE H . 30334 1 836 . 1 1 83 83 ILE HA H 1 3.843 0.000 . . . . . A 83 ILE HA . 30334 1 837 . 1 1 83 83 ILE HB H 1 1.871 0.000 . . . . . A 83 ILE HB . 30334 1 838 . 1 1 83 83 ILE C C 13 172.156 0.000 . . . . . A 83 ILE C . 30334 1 839 . 1 1 83 83 ILE CA C 13 57.119 0.000 . . . . . A 83 ILE CA . 30334 1 840 . 1 1 83 83 ILE CB C 13 40.435 0.000 . . . . . A 83 ILE CB . 30334 1 841 . 1 1 83 83 ILE N N 15 120.723 0.023 . . . . . A 83 ILE N . 30334 1 842 . 1 1 84 84 PRO HA H 1 5.196 0.000 . . . . . A 84 PRO HA . 30334 1 843 . 1 1 84 84 PRO HB2 H 1 2.067 0.000 . . . . . A 84 PRO HB2 . 30334 1 844 . 1 1 84 84 PRO HB3 H 1 2.724 0.000 . . . . . A 84 PRO HB3 . 30334 1 845 . 1 1 84 84 PRO HG2 H 1 1.784 0.000 . . . . . A 84 PRO HG2 . 30334 1 846 . 1 1 84 84 PRO HD3 H 1 3.604 0.000 . . . . . A 84 PRO HD3 . 30334 1 847 . 1 1 84 84 PRO CA C 13 63.313 0.010 . . . . . A 84 PRO CA . 30334 1 848 . 1 1 84 84 PRO CB C 13 34.723 0.022 . . . . . A 84 PRO CB . 30334 1 849 . 1 1 84 84 PRO CG C 13 24.680 0.000 . . . . . A 84 PRO CG . 30334 1 850 . 1 1 84 84 PRO CD C 13 50.652 0.000 . . . . . A 84 PRO CD . 30334 1 851 . 1 1 85 85 THR H H 1 8.257 0.001 . . . . . A 85 THR H . 30334 1 852 . 1 1 85 85 THR HA H 1 5.086 0.000 . . . . . A 85 THR HA . 30334 1 853 . 1 1 85 85 THR HB H 1 3.960 0.000 . . . . . A 85 THR HB . 30334 1 854 . 1 1 85 85 THR HG21 H 1 1.119 0.000 . . . . . A 85 THR HG21 . 30334 1 855 . 1 1 85 85 THR HG22 H 1 1.119 0.000 . . . . . A 85 THR HG22 . 30334 1 856 . 1 1 85 85 THR HG23 H 1 1.119 0.000 . . . . . A 85 THR HG23 . 30334 1 857 . 1 1 85 85 THR C C 13 177.152 0.000 . . . . . A 85 THR C . 30334 1 858 . 1 1 85 85 THR CA C 13 63.453 0.003 . . . . . A 85 THR CA . 30334 1 859 . 1 1 85 85 THR CB C 13 72.943 0.000 . . . . . A 85 THR CB . 30334 1 860 . 1 1 85 85 THR CG2 C 13 21.235 0.000 . . . . . A 85 THR CG2 . 30334 1 861 . 1 1 85 85 THR N N 15 119.484 0.006 . . . . . A 85 THR N . 30334 1 862 . 1 1 86 86 MET H H 1 9.891 0.002 . . . . . A 86 MET H . 30334 1 863 . 1 1 86 86 MET HA H 1 6.197 0.000 . . . . . A 86 MET HA . 30334 1 864 . 1 1 86 86 MET HB2 H 1 2.064 0.000 . . . . . A 86 MET HB2 . 30334 1 865 . 1 1 86 86 MET HB3 H 1 1.815 0.000 . . . . . A 86 MET HB3 . 30334 1 866 . 1 1 86 86 MET HG3 H 1 2.551 0.000 . . . . . A 86 MET HG3 . 30334 1 867 . 1 1 86 86 MET C C 13 172.243 0.000 . . . . . A 86 MET C . 30334 1 868 . 1 1 86 86 MET CA C 13 53.532 0.079 . . . . . A 86 MET CA . 30334 1 869 . 1 1 86 86 MET CB C 13 36.223 0.016 . . . . . A 86 MET CB . 30334 1 870 . 1 1 86 86 MET CG C 13 32.701 0.000 . . . . . A 86 MET CG . 30334 1 871 . 1 1 86 86 MET N N 15 126.483 0.005 . . . . . A 86 MET N . 30334 1 872 . 1 1 87 87 ILE H H 1 9.127 0.002 . . . . . A 87 ILE H . 30334 1 873 . 1 1 87 87 ILE HA H 1 4.978 0.000 . . . . . A 87 ILE HA . 30334 1 874 . 1 1 87 87 ILE HB H 1 1.755 0.000 . . . . . A 87 ILE HB . 30334 1 875 . 1 1 87 87 ILE HG12 H 1 1.266 0.000 . . . . . A 87 ILE HG12 . 30334 1 876 . 1 1 87 87 ILE HG21 H 1 0.138 0.000 . . . . . A 87 ILE HG21 . 30334 1 877 . 1 1 87 87 ILE HG22 H 1 0.138 0.000 . . . . . A 87 ILE HG22 . 30334 1 878 . 1 1 87 87 ILE HG23 H 1 0.138 0.000 . . . . . A 87 ILE HG23 . 30334 1 879 . 1 1 87 87 ILE HD11 H 1 0.709 0.000 . . . . . A 87 ILE HD11 . 30334 1 880 . 1 1 87 87 ILE HD12 H 1 0.709 0.000 . . . . . A 87 ILE HD12 . 30334 1 881 . 1 1 87 87 ILE HD13 H 1 0.709 0.000 . . . . . A 87 ILE HD13 . 30334 1 882 . 1 1 87 87 ILE C C 13 174.786 0.000 . . . . . A 87 ILE C . 30334 1 883 . 1 1 87 87 ILE CA C 13 60.108 0.005 . . . . . A 87 ILE CA . 30334 1 884 . 1 1 87 87 ILE CB C 13 41.599 0.000 . . . . . A 87 ILE CB . 30334 1 885 . 1 1 87 87 ILE CG1 C 13 28.719 0.000 . . . . . A 87 ILE CG1 . 30334 1 886 . 1 1 87 87 ILE CG2 C 13 17.645 0.000 . . . . . A 87 ILE CG2 . 30334 1 887 . 1 1 87 87 ILE CD1 C 13 13.681 0.000 . . . . . A 87 ILE CD1 . 30334 1 888 . 1 1 87 87 ILE N N 15 121.429 0.009 . . . . . A 87 ILE N . 30334 1 889 . 1 1 88 88 LEU H H 1 8.732 0.001 . . . . . A 88 LEU H . 30334 1 890 . 1 1 88 88 LEU HA H 1 5.189 0.000 . . . . . A 88 LEU HA . 30334 1 891 . 1 1 88 88 LEU HB2 H 1 1.001 0.000 . . . . . A 88 LEU HB2 . 30334 1 892 . 1 1 88 88 LEU HB3 H 1 1.875 0.000 . . . . . A 88 LEU HB3 . 30334 1 893 . 1 1 88 88 LEU HG H 1 1.343 0.000 . . . . . A 88 LEU HG . 30334 1 894 . 1 1 88 88 LEU HD11 H 1 0.834 0.000 . . . . . A 88 LEU HD11 . 30334 1 895 . 1 1 88 88 LEU HD12 H 1 0.834 0.000 . . . . . A 88 LEU HD12 . 30334 1 896 . 1 1 88 88 LEU HD13 H 1 0.834 0.000 . . . . . A 88 LEU HD13 . 30334 1 897 . 1 1 88 88 LEU C C 13 174.401 0.000 . . . . . A 88 LEU C . 30334 1 898 . 1 1 88 88 LEU CA C 13 53.266 0.062 . . . . . A 88 LEU CA . 30334 1 899 . 1 1 88 88 LEU CB C 13 44.870 0.079 . . . . . A 88 LEU CB . 30334 1 900 . 1 1 88 88 LEU CD2 C 13 26.737 0.000 . . . . . A 88 LEU CD2 . 30334 1 901 . 1 1 88 88 LEU N N 15 129.534 0.002 . . . . . A 88 LEU N . 30334 1 902 . 1 1 89 89 PHE H H 1 9.999 0.006 . . . . . A 89 PHE H . 30334 1 903 . 1 1 89 89 PHE HA H 1 5.089 0.000 . . . . . A 89 PHE HA . 30334 1 904 . 1 1 89 89 PHE HB2 H 1 2.874 0.000 . . . . . A 89 PHE HB2 . 30334 1 905 . 1 1 89 89 PHE HB3 H 1 2.819 0.000 . . . . . A 89 PHE HB3 . 30334 1 906 . 1 1 89 89 PHE HD1 H 1 6.815 0.000 . . . . . A 89 PHE HD1 . 30334 1 907 . 1 1 89 89 PHE HD2 H 1 6.815 0.000 . . . . . A 89 PHE HD2 . 30334 1 908 . 1 1 89 89 PHE C C 13 174.116 0.000 . . . . . A 89 PHE C . 30334 1 909 . 1 1 89 89 PHE CA C 13 57.315 0.007 . . . . . A 89 PHE CA . 30334 1 910 . 1 1 89 89 PHE CB C 13 41.607 0.025 . . . . . A 89 PHE CB . 30334 1 911 . 1 1 89 89 PHE CD1 C 13 136.148 0.000 . . . . . A 89 PHE CD1 . 30334 1 912 . 1 1 89 89 PHE CD2 C 13 136.148 0.000 . . . . . A 89 PHE CD2 . 30334 1 913 . 1 1 89 89 PHE N N 15 128.101 0.015 . . . . . A 89 PHE N . 30334 1 914 . 1 1 90 90 LYS H H 1 8.572 0.002 . . . . . A 90 LYS H . 30334 1 915 . 1 1 90 90 LYS HA H 1 4.686 0.000 . . . . . A 90 LYS HA . 30334 1 916 . 1 1 90 90 LYS HB2 H 1 1.561 0.000 . . . . . A 90 LYS HB2 . 30334 1 917 . 1 1 90 90 LYS HB3 H 1 1.865 0.000 . . . . . A 90 LYS HB3 . 30334 1 918 . 1 1 90 90 LYS HG2 H 1 1.354 0.000 . . . . . A 90 LYS HG2 . 30334 1 919 . 1 1 90 90 LYS HG3 H 1 1.435 0.000 . . . . . A 90 LYS HG3 . 30334 1 920 . 1 1 90 90 LYS HD2 H 1 1.735 0.000 . . . . . A 90 LYS HD2 . 30334 1 921 . 1 1 90 90 LYS HD3 H 1 1.822 0.000 . . . . . A 90 LYS HD3 . 30334 1 922 . 1 1 90 90 LYS HE3 H 1 3.034 0.000 . . . . . A 90 LYS HE3 . 30334 1 923 . 1 1 90 90 LYS C C 13 175.314 0.000 . . . . . A 90 LYS C . 30334 1 924 . 1 1 90 90 LYS CA C 13 55.894 0.001 . . . . . A 90 LYS CA . 30334 1 925 . 1 1 90 90 LYS CB C 13 36.140 0.001 . . . . . A 90 LYS CB . 30334 1 926 . 1 1 90 90 LYS CG C 13 25.258 0.000 . . . . . A 90 LYS CG . 30334 1 927 . 1 1 90 90 LYS CD C 13 29.775 0.000 . . . . . A 90 LYS CD . 30334 1 928 . 1 1 90 90 LYS CE C 13 41.957 0.000 . . . . . A 90 LYS CE . 30334 1 929 . 1 1 90 90 LYS N N 15 119.693 0.016 . . . . . A 90 LYS N . 30334 1 930 . 1 1 91 91 GLY H H 1 9.401 0.002 . . . . . A 91 GLY H . 30334 1 931 . 1 1 91 91 GLY HA2 H 1 3.904 0.000 . . . . . A 91 GLY HA2 . 30334 1 932 . 1 1 91 91 GLY HA3 H 1 4.154 0.000 . . . . . A 91 GLY HA3 . 30334 1 933 . 1 1 91 91 GLY C C 13 177.363 0.000 . . . . . A 91 GLY C . 30334 1 934 . 1 1 91 91 GLY CA C 13 47.321 0.026 . . . . . A 91 GLY CA . 30334 1 935 . 1 1 91 91 GLY N N 15 118.014 0.018 . . . . . A 91 GLY N . 30334 1 936 . 1 1 92 92 GLY H H 1 9.195 0.001 . . . . . A 92 GLY H . 30334 1 937 . 1 1 92 92 GLY HA2 H 1 3.870 0.000 . . . . . A 92 GLY HA2 . 30334 1 938 . 1 1 92 92 GLY HA3 H 1 4.480 0.000 . . . . . A 92 GLY HA3 . 30334 1 939 . 1 1 92 92 GLY C C 13 176.236 0.000 . . . . . A 92 GLY C . 30334 1 940 . 1 1 92 92 GLY CA C 13 45.830 0.061 . . . . . A 92 GLY CA . 30334 1 941 . 1 1 92 92 GLY N N 15 105.971 0.002 . . . . . A 92 GLY N . 30334 1 942 . 1 1 93 93 THR H H 1 7.804 0.001 . . . . . A 93 THR H . 30334 1 943 . 1 1 93 93 THR HA H 1 5.143 0.000 . . . . . A 93 THR HA . 30334 1 944 . 1 1 93 93 THR HB H 1 4.148 0.000 . . . . . A 93 THR HB . 30334 1 945 . 1 1 93 93 THR HG21 H 1 1.277 0.000 . . . . . A 93 THR HG21 . 30334 1 946 . 1 1 93 93 THR HG22 H 1 1.277 0.000 . . . . . A 93 THR HG22 . 30334 1 947 . 1 1 93 93 THR HG23 H 1 1.277 0.000 . . . . . A 93 THR HG23 . 30334 1 948 . 1 1 93 93 THR C C 13 173.596 0.000 . . . . . A 93 THR C . 30334 1 949 . 1 1 93 93 THR CA C 13 59.063 0.000 . . . . . A 93 THR CA . 30334 1 950 . 1 1 93 93 THR CB C 13 71.872 0.000 . . . . . A 93 THR CB . 30334 1 951 . 1 1 93 93 THR CG2 C 13 20.890 0.000 . . . . . A 93 THR CG2 . 30334 1 952 . 1 1 93 93 THR N N 15 115.824 0.009 . . . . . A 93 THR N . 30334 1 953 . 1 1 94 94 PRO HA H 1 4.046 0.000 . . . . . A 94 PRO HA . 30334 1 954 . 1 1 94 94 PRO HB2 H 1 1.341 0.000 . . . . . A 94 PRO HB2 . 30334 1 955 . 1 1 94 94 PRO HB3 H 1 1.720 0.000 . . . . . A 94 PRO HB3 . 30334 1 956 . 1 1 94 94 PRO HG2 H 1 2.403 0.000 . . . . . A 94 PRO HG2 . 30334 1 957 . 1 1 94 94 PRO HG3 H 1 1.990 0.000 . . . . . A 94 PRO HG3 . 30334 1 958 . 1 1 94 94 PRO HD3 H 1 4.036 0.000 . . . . . A 94 PRO HD3 . 30334 1 959 . 1 1 94 94 PRO CA C 13 62.294 0.000 . . . . . A 94 PRO CA . 30334 1 960 . 1 1 94 94 PRO CB C 13 31.182 0.000 . . . . . A 94 PRO CB . 30334 1 961 . 1 1 94 94 PRO CG C 13 27.714 0.000 . . . . . A 94 PRO CG . 30334 1 962 . 1 1 94 94 PRO CD C 13 51.305 0.000 . . . . . A 94 PRO CD . 30334 1 963 . 1 1 95 95 VAL H H 1 9.163 0.002 . . . . . A 95 VAL H . 30334 1 964 . 1 1 95 95 VAL HA H 1 4.438 0.000 . . . . . A 95 VAL HA . 30334 1 965 . 1 1 95 95 VAL HB H 1 2.296 0.000 . . . . . A 95 VAL HB . 30334 1 966 . 1 1 95 95 VAL HG11 H 1 1.042 0.000 . . . . . A 95 VAL HG11 . 30334 1 967 . 1 1 95 95 VAL HG12 H 1 1.042 0.000 . . . . . A 95 VAL HG12 . 30334 1 968 . 1 1 95 95 VAL HG13 H 1 1.042 0.000 . . . . . A 95 VAL HG13 . 30334 1 969 . 1 1 95 95 VAL HG21 H 1 0.855 0.000 . . . . . A 95 VAL HG21 . 30334 1 970 . 1 1 95 95 VAL HG22 H 1 0.855 0.000 . . . . . A 95 VAL HG22 . 30334 1 971 . 1 1 95 95 VAL HG23 H 1 0.855 0.000 . . . . . A 95 VAL HG23 . 30334 1 972 . 1 1 95 95 VAL C C 13 176.832 0.000 . . . . . A 95 VAL C . 30334 1 973 . 1 1 95 95 VAL CA C 13 61.943 0.032 . . . . . A 95 VAL CA . 30334 1 974 . 1 1 95 95 VAL CB C 13 33.284 0.001 . . . . . A 95 VAL CB . 30334 1 975 . 1 1 95 95 VAL CG1 C 13 19.915 0.000 . . . . . A 95 VAL CG1 . 30334 1 976 . 1 1 95 95 VAL CG2 C 13 22.128 0.000 . . . . . A 95 VAL CG2 . 30334 1 977 . 1 1 95 95 VAL N N 15 120.415 0.033 . . . . . A 95 VAL N . 30334 1 978 . 1 1 96 96 LYS H H 1 7.236 0.003 . . . . . A 96 LYS H . 30334 1 979 . 1 1 96 96 LYS HA H 1 4.563 0.000 . . . . . A 96 LYS HA . 30334 1 980 . 1 1 96 96 LYS HB2 H 1 1.595 0.000 . . . . . A 96 LYS HB2 . 30334 1 981 . 1 1 96 96 LYS HB3 H 1 1.815 0.000 . . . . . A 96 LYS HB3 . 30334 1 982 . 1 1 96 96 LYS HG3 H 1 1.340 0.000 . . . . . A 96 LYS HG3 . 30334 1 983 . 1 1 96 96 LYS HD3 H 1 1.779 0.000 . . . . . A 96 LYS HD3 . 30334 1 984 . 1 1 96 96 LYS HE3 H 1 3.043 0.000 . . . . . A 96 LYS HE3 . 30334 1 985 . 1 1 96 96 LYS C C 13 176.017 0.000 . . . . . A 96 LYS C . 30334 1 986 . 1 1 96 96 LYS CA C 13 55.477 0.000 . . . . . A 96 LYS CA . 30334 1 987 . 1 1 96 96 LYS CB C 13 36.183 0.000 . . . . . A 96 LYS CB . 30334 1 988 . 1 1 96 96 LYS CG C 13 25.028 0.000 . . . . . A 96 LYS CG . 30334 1 989 . 1 1 96 96 LYS CD C 13 28.683 0.000 . . . . . A 96 LYS CD . 30334 1 990 . 1 1 96 96 LYS CE C 13 42.162 0.000 . . . . . A 96 LYS CE . 30334 1 991 . 1 1 96 96 LYS N N 15 118.750 0.014 . . . . . A 96 LYS N . 30334 1 992 . 1 1 97 97 ARG H H 1 8.813 0.001 . . . . . A 97 ARG H . 30334 1 993 . 1 1 97 97 ARG HA H 1 4.954 0.000 . . . . . A 97 ARG HA . 30334 1 994 . 1 1 97 97 ARG HB2 H 1 1.685 0.000 . . . . . A 97 ARG HB2 . 30334 1 995 . 1 1 97 97 ARG HG2 H 1 1.322 0.000 . . . . . A 97 ARG HG2 . 30334 1 996 . 1 1 97 97 ARG HG3 H 1 1.399 0.000 . . . . . A 97 ARG HG3 . 30334 1 997 . 1 1 97 97 ARG HD2 H 1 3.213 0.000 . . . . . A 97 ARG HD2 . 30334 1 998 . 1 1 97 97 ARG HE H 1 7.407 0.000 . . . . . A 97 ARG HE . 30334 1 999 . 1 1 97 97 ARG C C 13 173.182 0.000 . . . . . A 97 ARG C . 30334 1 1000 . 1 1 97 97 ARG CA C 13 55.189 0.108 . . . . . A 97 ARG CA . 30334 1 1001 . 1 1 97 97 ARG CB C 13 33.109 0.006 . . . . . A 97 ARG CB . 30334 1 1002 . 1 1 97 97 ARG CG C 13 28.137 0.000 . . . . . A 97 ARG CG . 30334 1 1003 . 1 1 97 97 ARG CD C 13 43.287 0.000 . . . . . A 97 ARG CD . 30334 1 1004 . 1 1 97 97 ARG N N 15 125.896 0.008 . . . . . A 97 ARG N . 30334 1 1005 . 1 1 97 97 ARG NE N 15 119.880 0.000 . . . . . A 97 ARG NE . 30334 1 1006 . 1 1 98 98 ILE H H 1 9.563 0.002 . . . . . A 98 ILE H . 30334 1 1007 . 1 1 98 98 ILE HA H 1 4.329 0.000 . . . . . A 98 ILE HA . 30334 1 1008 . 1 1 98 98 ILE HB H 1 1.843 0.000 . . . . . A 98 ILE HB . 30334 1 1009 . 1 1 98 98 ILE HG12 H 1 1.369 0.000 . . . . . A 98 ILE HG12 . 30334 1 1010 . 1 1 98 98 ILE HG13 H 1 1.004 0.000 . . . . . A 98 ILE HG13 . 30334 1 1011 . 1 1 98 98 ILE HG21 H 1 0.847 0.000 . . . . . A 98 ILE HG21 . 30334 1 1012 . 1 1 98 98 ILE HG22 H 1 0.847 0.000 . . . . . A 98 ILE HG22 . 30334 1 1013 . 1 1 98 98 ILE HG23 H 1 0.847 0.000 . . . . . A 98 ILE HG23 . 30334 1 1014 . 1 1 98 98 ILE HD11 H 1 0.691 0.000 . . . . . A 98 ILE HD11 . 30334 1 1015 . 1 1 98 98 ILE HD12 H 1 0.691 0.000 . . . . . A 98 ILE HD12 . 30334 1 1016 . 1 1 98 98 ILE HD13 H 1 0.691 0.000 . . . . . A 98 ILE HD13 . 30334 1 1017 . 1 1 98 98 ILE C C 13 174.315 0.000 . . . . . A 98 ILE C . 30334 1 1018 . 1 1 98 98 ILE CA C 13 60.828 0.040 . . . . . A 98 ILE CA . 30334 1 1019 . 1 1 98 98 ILE CB C 13 40.823 0.004 . . . . . A 98 ILE CB . 30334 1 1020 . 1 1 98 98 ILE CG1 C 13 27.637 0.000 . . . . . A 98 ILE CG1 . 30334 1 1021 . 1 1 98 98 ILE CG2 C 13 18.451 0.000 . . . . . A 98 ILE CG2 . 30334 1 1022 . 1 1 98 98 ILE CD1 C 13 14.719 0.000 . . . . . A 98 ILE CD1 . 30334 1 1023 . 1 1 98 98 ILE N N 15 127.696 0.048 . . . . . A 98 ILE N . 30334 1 1024 . 1 1 99 99 VAL H H 1 8.952 0.001 . . . . . A 99 VAL H . 30334 1 1025 . 1 1 99 99 VAL HA H 1 4.539 0.000 . . . . . A 99 VAL HA . 30334 1 1026 . 1 1 99 99 VAL HB H 1 2.009 0.000 . . . . . A 99 VAL HB . 30334 1 1027 . 1 1 99 99 VAL HG11 H 1 0.920 0.000 . . . . . A 99 VAL HG11 . 30334 1 1028 . 1 1 99 99 VAL HG12 H 1 0.920 0.000 . . . . . A 99 VAL HG12 . 30334 1 1029 . 1 1 99 99 VAL HG13 H 1 0.920 0.000 . . . . . A 99 VAL HG13 . 30334 1 1030 . 1 1 99 99 VAL HG21 H 1 0.971 0.000 . . . . . A 99 VAL HG21 . 30334 1 1031 . 1 1 99 99 VAL HG22 H 1 0.971 0.000 . . . . . A 99 VAL HG22 . 30334 1 1032 . 1 1 99 99 VAL HG23 H 1 0.971 0.000 . . . . . A 99 VAL HG23 . 30334 1 1033 . 1 1 99 99 VAL C C 13 174.409 0.000 . . . . . A 99 VAL C . 30334 1 1034 . 1 1 99 99 VAL CA C 13 62.345 0.014 . . . . . A 99 VAL CA . 30334 1 1035 . 1 1 99 99 VAL CB C 13 33.446 0.013 . . . . . A 99 VAL CB . 30334 1 1036 . 1 1 99 99 VAL CG1 C 13 21.347 0.000 . . . . . A 99 VAL CG1 . 30334 1 1037 . 1 1 99 99 VAL CG2 C 13 20.835 0.000 . . . . . A 99 VAL CG2 . 30334 1 1038 . 1 1 99 99 VAL N N 15 128.048 0.012 . . . . . A 99 VAL N . 30334 1 1039 . 1 1 100 100 GLY H H 1 8.079 0.000 . . . . . A 100 GLY H . 30334 1 1040 . 1 1 100 100 GLY HA2 H 1 3.578 0.000 . . . . . A 100 GLY HA2 . 30334 1 1041 . 1 1 100 100 GLY HA3 H 1 4.414 0.000 . . . . . A 100 GLY HA3 . 30334 1 1042 . 1 1 100 100 GLY C C 13 176.099 0.000 . . . . . A 100 GLY C . 30334 1 1043 . 1 1 100 100 GLY CA C 13 43.509 0.003 . . . . . A 100 GLY CA . 30334 1 1044 . 1 1 100 100 GLY N N 15 114.199 0.007 . . . . . A 100 GLY N . 30334 1 1045 . 1 1 101 101 ALA H H 1 8.383 0.002 . . . . . A 101 ALA H . 30334 1 1046 . 1 1 101 101 ALA HA H 1 4.004 0.000 . . . . . A 101 ALA HA . 30334 1 1047 . 1 1 101 101 ALA HB1 H 1 1.309 0.000 . . . . . A 101 ALA HB1 . 30334 1 1048 . 1 1 101 101 ALA HB2 H 1 1.309 0.000 . . . . . A 101 ALA HB2 . 30334 1 1049 . 1 1 101 101 ALA HB3 H 1 1.309 0.000 . . . . . A 101 ALA HB3 . 30334 1 1050 . 1 1 101 101 ALA C C 13 171.806 0.000 . . . . . A 101 ALA C . 30334 1 1051 . 1 1 101 101 ALA CA C 13 52.417 0.001 . . . . . A 101 ALA CA . 30334 1 1052 . 1 1 101 101 ALA CB C 13 19.009 0.002 . . . . . A 101 ALA CB . 30334 1 1053 . 1 1 101 101 ALA N N 15 119.826 0.004 . . . . . A 101 ALA N . 30334 1 1054 . 1 1 102 102 LYS H H 1 6.941 0.005 . . . . . A 102 LYS H . 30334 1 1055 . 1 1 102 102 LYS HA H 1 4.543 0.000 . . . . . A 102 LYS HA . 30334 1 1056 . 1 1 102 102 LYS HB2 H 1 1.480 0.000 . . . . . A 102 LYS HB2 . 30334 1 1057 . 1 1 102 102 LYS HB3 H 1 1.868 0.000 . . . . . A 102 LYS HB3 . 30334 1 1058 . 1 1 102 102 LYS HG3 H 1 1.276 0.000 . . . . . A 102 LYS HG3 . 30334 1 1059 . 1 1 102 102 LYS HD2 H 1 1.429 0.000 . . . . . A 102 LYS HD2 . 30334 1 1060 . 1 1 102 102 LYS HD3 H 1 1.586 0.000 . . . . . A 102 LYS HD3 . 30334 1 1061 . 1 1 102 102 LYS HE2 H 1 2.875 0.000 . . . . . A 102 LYS HE2 . 30334 1 1062 . 1 1 102 102 LYS HE3 H 1 2.804 0.002 . . . . . A 102 LYS HE3 . 30334 1 1063 . 1 1 102 102 LYS C C 13 176.903 0.000 . . . . . A 102 LYS C . 30334 1 1064 . 1 1 102 102 LYS CA C 13 54.373 0.064 . . . . . A 102 LYS CA . 30334 1 1065 . 1 1 102 102 LYS CB C 13 36.796 0.025 . . . . . A 102 LYS CB . 30334 1 1066 . 1 1 102 102 LYS CG C 13 24.780 0.000 . . . . . A 102 LYS CG . 30334 1 1067 . 1 1 102 102 LYS CD C 13 28.540 0.000 . . . . . A 102 LYS CD . 30334 1 1068 . 1 1 102 102 LYS CE C 13 41.592 0.000 . . . . . A 102 LYS CE . 30334 1 1069 . 1 1 102 102 LYS N N 15 119.777 0.013 . . . . . A 102 LYS N . 30334 1 1070 . 1 1 103 103 GLY H H 1 8.298 0.001 . . . . . A 103 GLY H . 30334 1 1071 . 1 1 103 103 GLY HA2 H 1 3.861 0.000 . . . . . A 103 GLY HA2 . 30334 1 1072 . 1 1 103 103 GLY HA3 H 1 4.149 0.000 . . . . . A 103 GLY HA3 . 30334 1 1073 . 1 1 103 103 GLY C C 13 175.502 0.000 . . . . . A 103 GLY C . 30334 1 1074 . 1 1 103 103 GLY CA C 13 43.961 0.067 . . . . . A 103 GLY CA . 30334 1 1075 . 1 1 103 103 GLY N N 15 105.901 0.008 . . . . . A 103 GLY N . 30334 1 1076 . 1 1 104 104 LYS H H 1 8.647 0.002 . . . . . A 104 LYS H . 30334 1 1077 . 1 1 104 104 LYS HA H 1 3.545 0.000 . . . . . A 104 LYS HA . 30334 1 1078 . 1 1 104 104 LYS HB2 H 1 1.810 0.000 . . . . . A 104 LYS HB2 . 30334 1 1079 . 1 1 104 104 LYS HB3 H 1 1.894 0.000 . . . . . A 104 LYS HB3 . 30334 1 1080 . 1 1 104 104 LYS HG2 H 1 1.163 0.002 . . . . . A 104 LYS HG2 . 30334 1 1081 . 1 1 104 104 LYS HG3 H 1 1.343 0.000 . . . . . A 104 LYS HG3 . 30334 1 1082 . 1 1 104 104 LYS HD2 H 1 1.733 0.000 . . . . . A 104 LYS HD2 . 30334 1 1083 . 1 1 104 104 LYS HD3 H 1 1.673 0.000 . . . . . A 104 LYS HD3 . 30334 1 1084 . 1 1 104 104 LYS HE2 H 1 2.875 0.000 . . . . . A 104 LYS HE2 . 30334 1 1085 . 1 1 104 104 LYS HE3 H 1 2.670 0.000 . . . . . A 104 LYS HE3 . 30334 1 1086 . 1 1 104 104 LYS C C 13 173.147 0.000 . . . . . A 104 LYS C . 30334 1 1087 . 1 1 104 104 LYS CA C 13 61.216 0.005 . . . . . A 104 LYS CA . 30334 1 1088 . 1 1 104 104 LYS CB C 13 32.847 0.032 . . . . . A 104 LYS CB . 30334 1 1089 . 1 1 104 104 LYS CG C 13 25.271 0.000 . . . . . A 104 LYS CG . 30334 1 1090 . 1 1 104 104 LYS CD C 13 29.689 0.000 . . . . . A 104 LYS CD . 30334 1 1091 . 1 1 104 104 LYS CE C 13 41.621 0.000 . . . . . A 104 LYS CE . 30334 1 1092 . 1 1 104 104 LYS N N 15 119.027 0.010 . . . . . A 104 LYS N . 30334 1 1093 . 1 1 105 105 ALA H H 1 8.471 0.001 . . . . . A 105 ALA H . 30334 1 1094 . 1 1 105 105 ALA HA H 1 4.017 0.000 . . . . . A 105 ALA HA . 30334 1 1095 . 1 1 105 105 ALA HB1 H 1 1.408 0.000 . . . . . A 105 ALA HB1 . 30334 1 1096 . 1 1 105 105 ALA HB2 H 1 1.408 0.000 . . . . . A 105 ALA HB2 . 30334 1 1097 . 1 1 105 105 ALA HB3 H 1 1.408 0.000 . . . . . A 105 ALA HB3 . 30334 1 1098 . 1 1 105 105 ALA C C 13 177.305 0.000 . . . . . A 105 ALA C . 30334 1 1099 . 1 1 105 105 ALA CA C 13 55.313 0.130 . . . . . A 105 ALA CA . 30334 1 1100 . 1 1 105 105 ALA CB C 13 17.677 0.007 . . . . . A 105 ALA CB . 30334 1 1101 . 1 1 105 105 ALA N N 15 118.592 0.010 . . . . . A 105 ALA N . 30334 1 1102 . 1 1 106 106 ALA H H 1 7.945 0.001 . . . . . A 106 ALA H . 30334 1 1103 . 1 1 106 106 ALA HA H 1 4.068 0.000 . . . . . A 106 ALA HA . 30334 1 1104 . 1 1 106 106 ALA HB1 H 1 1.442 0.000 . . . . . A 106 ALA HB1 . 30334 1 1105 . 1 1 106 106 ALA HB2 H 1 1.442 0.000 . . . . . A 106 ALA HB2 . 30334 1 1106 . 1 1 106 106 ALA HB3 H 1 1.442 0.000 . . . . . A 106 ALA HB3 . 30334 1 1107 . 1 1 106 106 ALA C C 13 180.714 0.000 . . . . . A 106 ALA C . 30334 1 1108 . 1 1 106 106 ALA CA C 13 54.667 0.049 . . . . . A 106 ALA CA . 30334 1 1109 . 1 1 106 106 ALA CB C 13 18.588 0.009 . . . . . A 106 ALA CB . 30334 1 1110 . 1 1 106 106 ALA N N 15 120.642 0.039 . . . . . A 106 ALA N . 30334 1 1111 . 1 1 107 107 LEU H H 1 8.428 0.001 . . . . . A 107 LEU H . 30334 1 1112 . 1 1 107 107 LEU HA H 1 3.878 0.000 . . . . . A 107 LEU HA . 30334 1 1113 . 1 1 107 107 LEU HB2 H 1 1.429 0.000 . . . . . A 107 LEU HB2 . 30334 1 1114 . 1 1 107 107 LEU HB3 H 1 1.595 0.000 . . . . . A 107 LEU HB3 . 30334 1 1115 . 1 1 107 107 LEU HG H 1 1.498 0.000 . . . . . A 107 LEU HG . 30334 1 1116 . 1 1 107 107 LEU HD11 H 1 0.771 0.000 . . . . . A 107 LEU HD11 . 30334 1 1117 . 1 1 107 107 LEU HD12 H 1 0.771 0.000 . . . . . A 107 LEU HD12 . 30334 1 1118 . 1 1 107 107 LEU HD13 H 1 0.771 0.000 . . . . . A 107 LEU HD13 . 30334 1 1119 . 1 1 107 107 LEU HD21 H 1 0.720 0.000 . . . . . A 107 LEU HD21 . 30334 1 1120 . 1 1 107 107 LEU HD22 H 1 0.720 0.000 . . . . . A 107 LEU HD22 . 30334 1 1121 . 1 1 107 107 LEU HD23 H 1 0.720 0.000 . . . . . A 107 LEU HD23 . 30334 1 1122 . 1 1 107 107 LEU C C 13 180.221 0.000 . . . . . A 107 LEU C . 30334 1 1123 . 1 1 107 107 LEU CA C 13 58.189 0.061 . . . . . A 107 LEU CA . 30334 1 1124 . 1 1 107 107 LEU CB C 13 42.224 0.006 . . . . . A 107 LEU CB . 30334 1 1125 . 1 1 107 107 LEU CG C 13 27.224 0.000 . . . . . A 107 LEU CG . 30334 1 1126 . 1 1 107 107 LEU CD1 C 13 25.064 0.000 . . . . . A 107 LEU CD1 . 30334 1 1127 . 1 1 107 107 LEU CD2 C 13 24.746 0.000 . . . . . A 107 LEU CD2 . 30334 1 1128 . 1 1 107 107 LEU N N 15 119.756 0.005 . . . . . A 107 LEU N . 30334 1 1129 . 1 1 108 108 LEU H H 1 8.602 0.002 . . . . . A 108 LEU H . 30334 1 1130 . 1 1 108 108 LEU HA H 1 3.871 0.000 . . . . . A 108 LEU HA . 30334 1 1131 . 1 1 108 108 LEU HB2 H 1 1.466 0.000 . . . . . A 108 LEU HB2 . 30334 1 1132 . 1 1 108 108 LEU HB3 H 1 1.820 0.000 . . . . . A 108 LEU HB3 . 30334 1 1133 . 1 1 108 108 LEU HG H 1 1.619 0.000 . . . . . A 108 LEU HG . 30334 1 1134 . 1 1 108 108 LEU HD11 H 1 0.804 0.000 . . . . . A 108 LEU HD11 . 30334 1 1135 . 1 1 108 108 LEU HD12 H 1 0.804 0.000 . . . . . A 108 LEU HD12 . 30334 1 1136 . 1 1 108 108 LEU HD13 H 1 0.804 0.000 . . . . . A 108 LEU HD13 . 30334 1 1137 . 1 1 108 108 LEU HD21 H 1 0.855 0.000 . . . . . A 108 LEU HD21 . 30334 1 1138 . 1 1 108 108 LEU HD22 H 1 0.855 0.000 . . . . . A 108 LEU HD22 . 30334 1 1139 . 1 1 108 108 LEU HD23 H 1 0.855 0.000 . . . . . A 108 LEU HD23 . 30334 1 1140 . 1 1 108 108 LEU C C 13 178.805 0.000 . . . . . A 108 LEU C . 30334 1 1141 . 1 1 108 108 LEU CA C 13 58.182 0.000 . . . . . A 108 LEU CA . 30334 1 1142 . 1 1 108 108 LEU CB C 13 41.485 0.000 . . . . . A 108 LEU CB . 30334 1 1143 . 1 1 108 108 LEU CG C 13 27.042 0.000 . . . . . A 108 LEU CG . 30334 1 1144 . 1 1 108 108 LEU CD1 C 13 25.752 0.000 . . . . . A 108 LEU CD1 . 30334 1 1145 . 1 1 108 108 LEU CD2 C 13 23.352 0.000 . . . . . A 108 LEU CD2 . 30334 1 1146 . 1 1 108 108 LEU N N 15 117.475 0.009 . . . . . A 108 LEU N . 30334 1 1147 . 1 1 109 109 ARG H H 1 7.704 0.002 . . . . . A 109 ARG H . 30334 1 1148 . 1 1 109 109 ARG HA H 1 4.066 0.000 . . . . . A 109 ARG HA . 30334 1 1149 . 1 1 109 109 ARG HB2 H 1 1.937 0.000 . . . . . A 109 ARG HB2 . 30334 1 1150 . 1 1 109 109 ARG HG3 H 1 1.698 0.000 . . . . . A 109 ARG HG3 . 30334 1 1151 . 1 1 109 109 ARG HD2 H 1 3.229 0.000 . . . . . A 109 ARG HD2 . 30334 1 1152 . 1 1 109 109 ARG HE H 1 7.372 0.000 . . . . . A 109 ARG HE . 30334 1 1153 . 1 1 109 109 ARG C C 13 178.844 0.000 . . . . . A 109 ARG C . 30334 1 1154 . 1 1 109 109 ARG CA C 13 58.995 0.000 . . . . . A 109 ARG CA . 30334 1 1155 . 1 1 109 109 ARG CB C 13 29.954 0.000 . . . . . A 109 ARG CB . 30334 1 1156 . 1 1 109 109 ARG CG C 13 26.944 0.000 . . . . . A 109 ARG CG . 30334 1 1157 . 1 1 109 109 ARG CD C 13 43.379 0.000 . . . . . A 109 ARG CD . 30334 1 1158 . 1 1 109 109 ARG N N 15 118.019 0.023 . . . . . A 109 ARG N . 30334 1 1159 . 1 1 109 109 ARG NE N 15 121.214 0.000 . . . . . A 109 ARG NE . 30334 1 1160 . 1 1 110 110 GLU H H 1 7.566 0.001 . . . . . A 110 GLU H . 30334 1 1161 . 1 1 110 110 GLU HA H 1 4.124 0.000 . . . . . A 110 GLU HA . 30334 1 1162 . 1 1 110 110 GLU HB2 H 1 2.146 0.000 . . . . . A 110 GLU HB2 . 30334 1 1163 . 1 1 110 110 GLU HB3 H 1 2.000 0.000 . . . . . A 110 GLU HB3 . 30334 1 1164 . 1 1 110 110 GLU HG2 H 1 2.282 0.000 . . . . . A 110 GLU HG2 . 30334 1 1165 . 1 1 110 110 GLU HG3 H 1 2.384 0.000 . . . . . A 110 GLU HG3 . 30334 1 1166 . 1 1 110 110 GLU C C 13 178.454 0.000 . . . . . A 110 GLU C . 30334 1 1167 . 1 1 110 110 GLU CA C 13 58.975 0.000 . . . . . A 110 GLU CA . 30334 1 1168 . 1 1 110 110 GLU CB C 13 29.965 0.000 . . . . . A 110 GLU CB . 30334 1 1169 . 1 1 110 110 GLU CG C 13 36.249 0.000 . . . . . A 110 GLU CG . 30334 1 1170 . 1 1 110 110 GLU N N 15 116.462 0.003 . . . . . A 110 GLU N . 30334 1 1171 . 1 1 111 111 ILE H H 1 7.878 0.003 . . . . . A 111 ILE H . 30334 1 1172 . 1 1 111 111 ILE HA H 1 3.769 0.006 . . . . . A 111 ILE HA . 30334 1 1173 . 1 1 111 111 ILE HB H 1 1.904 0.005 . . . . . A 111 ILE HB . 30334 1 1174 . 1 1 111 111 ILE HG12 H 1 1.647 0.000 . . . . . A 111 ILE HG12 . 30334 1 1175 . 1 1 111 111 ILE HG13 H 1 1.044 0.000 . . . . . A 111 ILE HG13 . 30334 1 1176 . 1 1 111 111 ILE HG21 H 1 0.788 0.000 . . . . . A 111 ILE HG21 . 30334 1 1177 . 1 1 111 111 ILE HG22 H 1 0.788 0.000 . . . . . A 111 ILE HG22 . 30334 1 1178 . 1 1 111 111 ILE HG23 H 1 0.788 0.000 . . . . . A 111 ILE HG23 . 30334 1 1179 . 1 1 111 111 ILE C C 13 178.956 0.000 . . . . . A 111 ILE C . 30334 1 1180 . 1 1 111 111 ILE CA C 13 63.992 0.000 . . . . . A 111 ILE CA . 30334 1 1181 . 1 1 111 111 ILE CB C 13 39.257 0.078 . . . . . A 111 ILE CB . 30334 1 1182 . 1 1 111 111 ILE CG1 C 13 27.905 0.000 . . . . . A 111 ILE CG1 . 30334 1 1183 . 1 1 111 111 ILE CG2 C 13 17.653 0.000 . . . . . A 111 ILE CG2 . 30334 1 1184 . 1 1 111 111 ILE N N 15 114.449 0.014 . . . . . A 111 ILE N . 30334 1 1185 . 1 1 112 112 GLU H H 1 8.520 0.005 . . . . . A 112 GLU H . 30334 1 1186 . 1 1 112 112 GLU HA H 1 3.876 0.007 . . . . . A 112 GLU HA . 30334 1 1187 . 1 1 112 112 GLU HB2 H 1 2.150 0.000 . . . . . A 112 GLU HB2 . 30334 1 1188 . 1 1 112 112 GLU HB3 H 1 2.009 0.000 . . . . . A 112 GLU HB3 . 30334 1 1189 . 1 1 112 112 GLU HG2 H 1 2.207 0.000 . . . . . A 112 GLU HG2 . 30334 1 1190 . 1 1 112 112 GLU HG3 H 1 2.435 0.000 . . . . . A 112 GLU HG3 . 30334 1 1191 . 1 1 112 112 GLU C C 13 177.330 0.000 . . . . . A 112 GLU C . 30334 1 1192 . 1 1 112 112 GLU CA C 13 59.577 0.011 . . . . . A 112 GLU CA . 30334 1 1193 . 1 1 112 112 GLU CB C 13 28.975 0.079 . . . . . A 112 GLU CB . 30334 1 1194 . 1 1 112 112 GLU CG C 13 36.979 0.006 . . . . . A 112 GLU CG . 30334 1 1195 . 1 1 112 112 GLU N N 15 118.508 0.014 . . . . . A 112 GLU N . 30334 1 1196 . 1 1 113 113 ASP H H 1 7.983 0.002 . . . . . A 113 ASP H . 30334 1 1197 . 1 1 113 113 ASP HA H 1 4.498 0.000 . . . . . A 113 ASP HA . 30334 1 1198 . 1 1 113 113 ASP HB2 H 1 2.650 0.000 . . . . . A 113 ASP HB2 . 30334 1 1199 . 1 1 113 113 ASP HB3 H 1 2.768 0.000 . . . . . A 113 ASP HB3 . 30334 1 1200 . 1 1 113 113 ASP C C 13 178.797 0.000 . . . . . A 113 ASP C . 30334 1 1201 . 1 1 113 113 ASP CA C 13 55.804 0.000 . . . . . A 113 ASP CA . 30334 1 1202 . 1 1 113 113 ASP CB C 13 40.798 0.020 . . . . . A 113 ASP CB . 30334 1 1203 . 1 1 113 113 ASP N N 15 116.687 0.015 . . . . . A 113 ASP N . 30334 1 1204 . 1 1 114 114 ALA H H 1 7.540 0.001 . . . . . A 114 ALA H . 30334 1 1205 . 1 1 114 114 ALA HA H 1 4.496 0.000 . . . . . A 114 ALA HA . 30334 1 1206 . 1 1 114 114 ALA HB1 H 1 1.345 0.000 . . . . . A 114 ALA HB1 . 30334 1 1207 . 1 1 114 114 ALA HB2 H 1 1.345 0.000 . . . . . A 114 ALA HB2 . 30334 1 1208 . 1 1 114 114 ALA HB3 H 1 1.345 0.000 . . . . . A 114 ALA HB3 . 30334 1 1209 . 1 1 114 114 ALA C C 13 176.403 0.000 . . . . . A 114 ALA C . 30334 1 1210 . 1 1 114 114 ALA CA C 13 51.716 0.027 . . . . . A 114 ALA CA . 30334 1 1211 . 1 1 114 114 ALA CB C 13 20.989 0.006 . . . . . A 114 ALA CB . 30334 1 1212 . 1 1 114 114 ALA N N 15 120.444 0.003 . . . . . A 114 ALA N . 30334 1 1213 . 1 1 115 115 LEU H H 1 7.141 0.002 . . . . . A 115 LEU H . 30334 1 1214 . 1 1 115 115 LEU HA H 1 4.108 0.000 . . . . . A 115 LEU HA . 30334 1 1215 . 1 1 115 115 LEU HB2 H 1 1.609 0.000 . . . . . A 115 LEU HB2 . 30334 1 1216 . 1 1 115 115 LEU HB3 H 1 1.710 0.000 . . . . . A 115 LEU HB3 . 30334 1 1217 . 1 1 115 115 LEU HG H 1 1.879 0.000 . . . . . A 115 LEU HG . 30334 1 1218 . 1 1 115 115 LEU HD11 H 1 0.854 0.000 . . . . . A 115 LEU HD11 . 30334 1 1219 . 1 1 115 115 LEU HD12 H 1 0.854 0.000 . . . . . A 115 LEU HD12 . 30334 1 1220 . 1 1 115 115 LEU HD13 H 1 0.854 0.000 . . . . . A 115 LEU HD13 . 30334 1 1221 . 1 1 115 115 LEU C C 13 176.351 0.000 . . . . . A 115 LEU C . 30334 1 1222 . 1 1 115 115 LEU CA C 13 56.786 0.000 . . . . . A 115 LEU CA . 30334 1 1223 . 1 1 115 115 LEU CB C 13 42.886 0.000 . . . . . A 115 LEU CB . 30334 1 1224 . 1 1 115 115 LEU CG C 13 26.596 0.000 . . . . . A 115 LEU CG . 30334 1 1225 . 1 1 115 115 LEU CD2 C 13 25.695 0.000 . . . . . A 115 LEU CD2 . 30334 1 1226 . 1 1 115 115 LEU N N 15 124.208 0.007 . . . . . A 115 LEU N . 30334 1 stop_ save_