data_19869 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19869 _Entry.Title ; ZapA mutant dimer from B. stearothermophilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-19 _Entry.Accession_date 2014-03-19 _Entry.Last_release_date 2015-06-15 _Entry.Original_release_date 2015-06-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Maria Luiza' Nogueira . . . 19869 2 Mauricio Sforca . . . 19869 3 Ana Zeri . . . 19869 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19869 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'B. stearothermophilus' . 19869 ZapA . 19869 dimer . 19869 protein . 19869 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19869 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 19869 '15N chemical shifts' 74 19869 '1H chemical shifts' 555 19869 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 . . 2015-06-15 . original BMRB . 19869 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MMV 'BMRB Entry Tracking System' 19869 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19869 _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 ; Zapa mutant dimer from B. stearothermophilus ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.Entry_ID _Citation_author.Citation_ID 1 'Maria Luiza' Nogueira . . . 19869 1 2 Mauricio Sforca . . . 19869 1 3 Ana Zeri . . . 19869 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19869 _Assembly.ID 1 _Assembly.Name 'ZapA homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'Chain A' 1 $ZapA A . yes native no no . . . 19869 1 2 'Chain B' 1 $ZapA B . yes native no no . . . 19869 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZapA _Entity.Sf_category entity _Entity.Sf_framecode ZapA _Entity.Entry_ID 19869 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ZapA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMTEQPKTRVSVRIYGQD YTIVGAESPAHIRLVAAFVD DKMHEFSEKQPMLDVPKLAV LTAVQIASEYLKLKEEYQRL REQLKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9902.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MMV . "Zapa Mutant Dimer From Geobacillus Stearothermophilus" . . . . . 100.00 86 100.00 100.00 1.36e-54 . . . . 19869 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19869 1 2 . SER . 19869 1 3 . HIS . 19869 1 4 . MET . 19869 1 5 . THR . 19869 1 6 . GLU . 19869 1 7 . GLN . 19869 1 8 . PRO . 19869 1 9 . LYS . 19869 1 10 . THR . 19869 1 11 . ARG . 19869 1 12 . VAL . 19869 1 13 . SER . 19869 1 14 . VAL . 19869 1 15 . ARG . 19869 1 16 . ILE . 19869 1 17 . TYR . 19869 1 18 . GLY . 19869 1 19 . GLN . 19869 1 20 . ASP . 19869 1 21 . TYR . 19869 1 22 . THR . 19869 1 23 . ILE . 19869 1 24 . VAL . 19869 1 25 . GLY . 19869 1 26 . ALA . 19869 1 27 . GLU . 19869 1 28 . SER . 19869 1 29 . PRO . 19869 1 30 . ALA . 19869 1 31 . HIS . 19869 1 32 . ILE . 19869 1 33 . ARG . 19869 1 34 . LEU . 19869 1 35 . VAL . 19869 1 36 . ALA . 19869 1 37 . ALA . 19869 1 38 . PHE . 19869 1 39 . VAL . 19869 1 40 . ASP . 19869 1 41 . ASP . 19869 1 42 . LYS . 19869 1 43 . MET . 19869 1 44 . HIS . 19869 1 45 . GLU . 19869 1 46 . PHE . 19869 1 47 . SER . 19869 1 48 . GLU . 19869 1 49 . LYS . 19869 1 50 . GLN . 19869 1 51 . PRO . 19869 1 52 . MET . 19869 1 53 . LEU . 19869 1 54 . ASP . 19869 1 55 . VAL . 19869 1 56 . PRO . 19869 1 57 . LYS . 19869 1 58 . LEU . 19869 1 59 . ALA . 19869 1 60 . VAL . 19869 1 61 . LEU . 19869 1 62 . THR . 19869 1 63 . ALA . 19869 1 64 . VAL . 19869 1 65 . GLN . 19869 1 66 . ILE . 19869 1 67 . ALA . 19869 1 68 . SER . 19869 1 69 . GLU . 19869 1 70 . TYR . 19869 1 71 . LEU . 19869 1 72 . LYS . 19869 1 73 . LEU . 19869 1 74 . LYS . 19869 1 75 . GLU . 19869 1 76 . GLU . 19869 1 77 . TYR . 19869 1 78 . GLN . 19869 1 79 . ARG . 19869 1 80 . LEU . 19869 1 81 . ARG . 19869 1 82 . GLU . 19869 1 83 . GLN . 19869 1 84 . LEU . 19869 1 85 . LYS . 19869 1 86 . LYS . 19869 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19869 1 . SER 2 2 19869 1 . HIS 3 3 19869 1 . MET 4 4 19869 1 . THR 5 5 19869 1 . GLU 6 6 19869 1 . GLN 7 7 19869 1 . PRO 8 8 19869 1 . LYS 9 9 19869 1 . THR 10 10 19869 1 . ARG 11 11 19869 1 . VAL 12 12 19869 1 . SER 13 13 19869 1 . VAL 14 14 19869 1 . ARG 15 15 19869 1 . ILE 16 16 19869 1 . TYR 17 17 19869 1 . GLY 18 18 19869 1 . GLN 19 19 19869 1 . ASP 20 20 19869 1 . TYR 21 21 19869 1 . THR 22 22 19869 1 . ILE 23 23 19869 1 . VAL 24 24 19869 1 . GLY 25 25 19869 1 . ALA 26 26 19869 1 . GLU 27 27 19869 1 . SER 28 28 19869 1 . PRO 29 29 19869 1 . ALA 30 30 19869 1 . HIS 31 31 19869 1 . ILE 32 32 19869 1 . ARG 33 33 19869 1 . LEU 34 34 19869 1 . VAL 35 35 19869 1 . ALA 36 36 19869 1 . ALA 37 37 19869 1 . PHE 38 38 19869 1 . VAL 39 39 19869 1 . ASP 40 40 19869 1 . ASP 41 41 19869 1 . LYS 42 42 19869 1 . MET 43 43 19869 1 . HIS 44 44 19869 1 . GLU 45 45 19869 1 . PHE 46 46 19869 1 . SER 47 47 19869 1 . GLU 48 48 19869 1 . LYS 49 49 19869 1 . GLN 50 50 19869 1 . PRO 51 51 19869 1 . MET 52 52 19869 1 . LEU 53 53 19869 1 . ASP 54 54 19869 1 . VAL 55 55 19869 1 . PRO 56 56 19869 1 . LYS 57 57 19869 1 . LEU 58 58 19869 1 . ALA 59 59 19869 1 . VAL 60 60 19869 1 . LEU 61 61 19869 1 . THR 62 62 19869 1 . ALA 63 63 19869 1 . VAL 64 64 19869 1 . GLN 65 65 19869 1 . ILE 66 66 19869 1 . ALA 67 67 19869 1 . SER 68 68 19869 1 . GLU 69 69 19869 1 . TYR 70 70 19869 1 . LEU 71 71 19869 1 . LYS 72 72 19869 1 . LEU 73 73 19869 1 . LYS 74 74 19869 1 . GLU 75 75 19869 1 . GLU 76 76 19869 1 . TYR 77 77 19869 1 . GLN 78 78 19869 1 . ARG 79 79 19869 1 . LEU 80 80 19869 1 . ARG 81 81 19869 1 . GLU 82 82 19869 1 . GLN 83 83 19869 1 . LEU 84 84 19869 1 . LYS 85 85 19869 1 . LYS 86 86 19869 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 19869 _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 $ZapA . 1422 organism . 'Bacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Bacteria . bacillus stearothermophilus . . . . . . . . . . . . . 19869 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 19869 _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 $ZapA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . 'mutant protein' 19869 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19869 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 MM [15N]; Mutant' _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 ZapA [U-15N] . . 1 $ZapA . . 0.3 . . mM . . . . 19869 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19869 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19869 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19869 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 MM [U-13C, 15N]; Mutant' _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 ZapA '[U-13C; U-15N]' . . 1 $ZapA . . 0.3 . . mM . . . . 19869 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19869 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19869 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19869 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Before the acquisition, this mixture was lyophilized and resuspended in deuterium.' _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 ZapA '[U-13C; U-15N]' . . 1 $ZapA . . 0.3 . . mM . . . . 19869 3 2 ZapA 'natural abundance' . . 1 $ZapA . . 0.3 . . mM . . . . 19869 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19869 3 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19869 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 19869 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM Naphosp 50 mM KCl' 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 19869 1 pH 6.8 . pH 19869 1 pressure 1 . atm 19869 1 temperature 298 . K 19869 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19869 _Software.ID 1 _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' . . 19869 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19869 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19869 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19869 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19869 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19869 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19869 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19869 3 'geometry optimization' 19869 3 processing 19869 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19869 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19869 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _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 19869 _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 spectrometer_1 BRUKER AVANCE . 900 . 1 $citations 19869 1 2 spectrometer_2 Agilent INOVA . 600 . 1 $citations 19869 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 19869 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19869 1 2 '2D 13C-15N CHSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 9 '3D 13C-15N filtered NOESY C13 HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19869 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19869 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19869 1 12 '3D 15N - NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19869 1 13 '3D 15N - TOCSY -HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19869 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19869 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19869 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19869 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19869 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19869 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 13C-15N CHSQC' . . . 19869 1 5 '3D CBCA(CO)NH' . . . 19869 1 6 '3D HNCO' . . . 19869 1 7 '3D HBHA(CO)NH' . . . 19869 1 10 '3D HCCH-TOCSY' . . . 19869 1 13 '3D 15N - TOCSY -HSQC' . . . 19869 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 8 8 PRO HA H 1 4.396 0.020 . 1 . . . A 8 PRO HA . 19869 1 2 . 1 1 8 8 PRO HB2 H 1 2.253 0.020 . 2 . . . A 8 PRO HB2 . 19869 1 3 . 1 1 8 8 PRO HB3 H 1 1.866 0.020 . 2 . . . A 8 PRO HB3 . 19869 1 4 . 1 1 8 8 PRO HG2 H 1 2.015 0.020 . 2 . . . A 8 PRO HG2 . 19869 1 5 . 1 1 8 8 PRO HG3 H 1 2.015 0.020 . 2 . . . A 8 PRO HG3 . 19869 1 6 . 1 1 8 8 PRO HD2 H 1 3.788 0.020 . 2 . . . A 8 PRO HD2 . 19869 1 7 . 1 1 8 8 PRO HD3 H 1 3.638 0.020 . 2 . . . A 8 PRO HD3 . 19869 1 8 . 1 1 8 8 PRO CA C 13 63.046 0.400 . 1 . . . A 8 PRO CA . 19869 1 9 . 1 1 8 8 PRO CB C 13 32.151 0.400 . 1 . . . A 8 PRO CB . 19869 1 10 . 1 1 8 8 PRO CG C 13 27.536 0.400 . 1 . . . A 8 PRO CG . 19869 1 11 . 1 1 8 8 PRO CD C 13 50.717 0.400 . 1 . . . A 8 PRO CD . 19869 1 12 . 1 1 9 9 LYS H H 1 8.363 0.020 . 1 . . . A 9 LYS H . 19869 1 13 . 1 1 9 9 LYS HA H 1 4.373 0.020 . 1 . . . A 9 LYS HA . 19869 1 14 . 1 1 9 9 LYS HB2 H 1 1.737 0.020 . 2 . . . A 9 LYS HB2 . 19869 1 15 . 1 1 9 9 LYS HB3 H 1 1.674 0.020 . 2 . . . A 9 LYS HB3 . 19869 1 16 . 1 1 9 9 LYS HG2 H 1 1.497 0.020 . 2 . . . A 9 LYS HG2 . 19869 1 17 . 1 1 9 9 LYS HG3 H 1 1.347 0.020 . 2 . . . A 9 LYS HG3 . 19869 1 18 . 1 1 9 9 LYS HD2 H 1 1.616 0.020 . 2 . . . A 9 LYS HD2 . 19869 1 19 . 1 1 9 9 LYS HD3 H 1 1.571 0.020 . 2 . . . A 9 LYS HD3 . 19869 1 20 . 1 1 9 9 LYS HE2 H 1 2.963 0.020 . 2 . . . A 9 LYS HE2 . 19869 1 21 . 1 1 9 9 LYS HE3 H 1 2.963 0.020 . 2 . . . A 9 LYS HE3 . 19869 1 22 . 1 1 9 9 LYS CA C 13 56.140 0.400 . 1 . . . A 9 LYS CA . 19869 1 23 . 1 1 9 9 LYS CB C 13 33.680 0.400 . 1 . . . A 9 LYS CB . 19869 1 24 . 1 1 9 9 LYS CG C 13 24.910 0.400 . 1 . . . A 9 LYS CG . 19869 1 25 . 1 1 9 9 LYS CD C 13 28.474 0.400 . 1 . . . A 9 LYS CD . 19869 1 26 . 1 1 9 9 LYS CE C 13 42.387 0.400 . 1 . . . A 9 LYS CE . 19869 1 27 . 1 1 9 9 LYS N N 15 121.282 0.400 . 1 . . . A 9 LYS N . 19869 1 28 . 1 1 10 10 THR H H 1 8.675 0.020 . 1 . . . A 10 THR H . 19869 1 29 . 1 1 10 10 THR HA H 1 4.357 0.020 . 1 . . . A 10 THR HA . 19869 1 30 . 1 1 10 10 THR HB H 1 4.132 0.020 . 1 . . . A 10 THR HB . 19869 1 31 . 1 1 10 10 THR HG21 H 1 1.127 0.020 . 1 . . . A 10 THR HG21 . 19869 1 32 . 1 1 10 10 THR HG22 H 1 1.127 0.020 . 1 . . . A 10 THR HG22 . 19869 1 33 . 1 1 10 10 THR HG23 H 1 1.127 0.020 . 1 . . . A 10 THR HG23 . 19869 1 34 . 1 1 10 10 THR CA C 13 61.620 0.400 . 1 . . . A 10 THR CA . 19869 1 35 . 1 1 10 10 THR CB C 13 70.393 0.400 . 1 . . . A 10 THR CB . 19869 1 36 . 1 1 10 10 THR CG2 C 13 22.436 0.400 . 1 . . . A 10 THR CG2 . 19869 1 37 . 1 1 10 10 THR N N 15 117.787 0.400 . 1 . . . A 10 THR N . 19869 1 38 . 1 1 11 11 ARG H H 1 8.322 0.020 . 1 . . . A 11 ARG H . 19869 1 39 . 1 1 11 11 ARG HA H 1 5.043 0.020 . 1 . . . A 11 ARG HA . 19869 1 40 . 1 1 11 11 ARG HB2 H 1 1.668 0.020 . 2 . . . A 11 ARG HB2 . 19869 1 41 . 1 1 11 11 ARG HB3 H 1 1.629 0.020 . 2 . . . A 11 ARG HB3 . 19869 1 42 . 1 1 11 11 ARG HG2 H 1 1.471 0.020 . 2 . . . A 11 ARG HG2 . 19869 1 43 . 1 1 11 11 ARG HG3 H 1 1.408 0.020 . 2 . . . A 11 ARG HG3 . 19869 1 44 . 1 1 11 11 ARG HD2 H 1 3.168 0.020 . 2 . . . A 11 ARG HD2 . 19869 1 45 . 1 1 11 11 ARG HD3 H 1 3.124 0.020 . 2 . . . A 11 ARG HD3 . 19869 1 46 . 1 1 11 11 ARG CA C 13 55.142 0.400 . 1 . . . A 11 ARG CA . 19869 1 47 . 1 1 11 11 ARG CB C 13 32.130 0.400 . 1 . . . A 11 ARG CB . 19869 1 48 . 1 1 11 11 ARG CG C 13 27.400 0.400 . 1 . . . A 11 ARG CG . 19869 1 49 . 1 1 11 11 ARG CD C 13 43.281 0.400 . 1 . . . A 11 ARG CD . 19869 1 50 . 1 1 11 11 ARG N N 15 123.980 0.400 . 1 . . . A 11 ARG N . 19869 1 51 . 1 1 12 12 VAL H H 1 8.853 0.020 . 1 . . . A 12 VAL H . 19869 1 52 . 1 1 12 12 VAL HA H 1 4.410 0.020 . 1 . . . A 12 VAL HA . 19869 1 53 . 1 1 12 12 VAL HB H 1 1.943 0.020 . 1 . . . A 12 VAL HB . 19869 1 54 . 1 1 12 12 VAL HG21 H 1 0.880 0.020 . 2 . . . A 12 VAL HG21 . 19869 1 55 . 1 1 12 12 VAL HG22 H 1 0.880 0.020 . 2 . . . A 12 VAL HG22 . 19869 1 56 . 1 1 12 12 VAL HG23 H 1 0.880 0.020 . 2 . . . A 12 VAL HG23 . 19869 1 57 . 1 1 12 12 VAL CA C 13 60.866 0.400 . 1 . . . A 12 VAL CA . 19869 1 58 . 1 1 12 12 VAL CB C 13 35.447 0.400 . 1 . . . A 12 VAL CB . 19869 1 59 . 1 1 12 12 VAL CG2 C 13 21.347 0.400 . 1 . . . A 12 VAL CG2 . 19869 1 60 . 1 1 12 12 VAL N N 15 124.311 0.400 . 1 . . . A 12 VAL N . 19869 1 61 . 1 1 13 13 SER H H 1 8.581 0.020 . 1 . . . A 13 SER H . 19869 1 62 . 1 1 13 13 SER HA H 1 5.435 0.020 . 1 . . . A 13 SER HA . 19869 1 63 . 1 1 13 13 SER HB2 H 1 3.789 0.020 . 2 . . . A 13 SER HB2 . 19869 1 64 . 1 1 13 13 SER HB3 H 1 3.667 0.020 . 2 . . . A 13 SER HB3 . 19869 1 65 . 1 1 13 13 SER CA C 13 57.199 0.400 . 1 . . . A 13 SER CA . 19869 1 66 . 1 1 13 13 SER CB C 13 63.535 0.400 . 1 . . . A 13 SER CB . 19869 1 67 . 1 1 13 13 SER N N 15 122.286 0.400 . 1 . . . A 13 SER N . 19869 1 68 . 1 1 14 14 VAL H H 1 9.154 0.020 . 1 . . . A 14 VAL H . 19869 1 69 . 1 1 14 14 VAL HA H 1 4.491 0.020 . 1 . . . A 14 VAL HA . 19869 1 70 . 1 1 14 14 VAL HB H 1 1.958 0.020 . 1 . . . A 14 VAL HB . 19869 1 71 . 1 1 14 14 VAL HG11 H 1 0.790 0.020 . 2 . . . A 14 VAL HG11 . 19869 1 72 . 1 1 14 14 VAL HG12 H 1 0.790 0.020 . 2 . . . A 14 VAL HG12 . 19869 1 73 . 1 1 14 14 VAL HG13 H 1 0.790 0.020 . 2 . . . A 14 VAL HG13 . 19869 1 74 . 1 1 14 14 VAL HG21 H 1 0.876 0.020 . 2 . . . A 14 VAL HG21 . 19869 1 75 . 1 1 14 14 VAL HG22 H 1 0.876 0.020 . 2 . . . A 14 VAL HG22 . 19869 1 76 . 1 1 14 14 VAL HG23 H 1 0.876 0.020 . 2 . . . A 14 VAL HG23 . 19869 1 77 . 1 1 14 14 VAL CA C 13 56.271 0.400 . 1 . . . A 14 VAL CA . 19869 1 78 . 1 1 14 14 VAL CB C 13 35.709 0.400 . 1 . . . A 14 VAL CB . 19869 1 79 . 1 1 14 14 VAL CG1 C 13 22.662 0.400 . 1 . . . A 14 VAL CG1 . 19869 1 80 . 1 1 14 14 VAL CG2 C 13 21.253 0.400 . 1 . . . A 14 VAL CG2 . 19869 1 81 . 1 1 14 14 VAL N N 15 119.340 0.400 . 1 . . . A 14 VAL N . 19869 1 82 . 1 1 15 15 ARG H H 1 8.467 0.020 . 1 . . . A 15 ARG H . 19869 1 83 . 1 1 15 15 ARG HA H 1 5.333 0.020 . 1 . . . A 15 ARG HA . 19869 1 84 . 1 1 15 15 ARG HB3 H 1 1.610 0.020 . 2 . . . A 15 ARG HB3 . 19869 1 85 . 1 1 15 15 ARG HG2 H 1 1.448 0.020 . 2 . . . A 15 ARG HG2 . 19869 1 86 . 1 1 15 15 ARG HG3 H 1 1.285 0.020 . 2 . . . A 15 ARG HG3 . 19869 1 87 . 1 1 15 15 ARG HD2 H 1 3.010 0.020 . 2 . . . A 15 ARG HD2 . 19869 1 88 . 1 1 15 15 ARG HD3 H 1 3.010 0.020 . 2 . . . A 15 ARG HD3 . 19869 1 89 . 1 1 15 15 ARG CA C 13 54.830 0.400 . 1 . . . A 15 ARG CA . 19869 1 90 . 1 1 15 15 ARG CB C 13 31.780 0.400 . 1 . . . A 15 ARG CB . 19869 1 91 . 1 1 15 15 ARG CG C 13 26.890 0.400 . 1 . . . A 15 ARG CG . 19869 1 92 . 1 1 15 15 ARG CD C 13 43.211 0.400 . 1 . . . A 15 ARG CD . 19869 1 93 . 1 1 15 15 ARG N N 15 123.689 0.400 . 1 . . . A 15 ARG N . 19869 1 94 . 1 1 16 16 ILE H H 1 9.174 0.020 . 1 . . . A 16 ILE H . 19869 1 95 . 1 1 16 16 ILE HA H 1 4.189 0.020 . 1 . . . A 16 ILE HA . 19869 1 96 . 1 1 16 16 ILE HB H 1 1.766 0.020 . 1 . . . A 16 ILE HB . 19869 1 97 . 1 1 16 16 ILE HG21 H 1 0.774 0.020 . 1 . . . A 16 ILE HG21 . 19869 1 98 . 1 1 16 16 ILE HG22 H 1 0.774 0.020 . 1 . . . A 16 ILE HG22 . 19869 1 99 . 1 1 16 16 ILE HG23 H 1 0.774 0.020 . 1 . . . A 16 ILE HG23 . 19869 1 100 . 1 1 16 16 ILE HD11 H 1 0.379 0.020 . 1 . . . A 16 ILE HD11 . 19869 1 101 . 1 1 16 16 ILE HD12 H 1 0.379 0.020 . 1 . . . A 16 ILE HD12 . 19869 1 102 . 1 1 16 16 ILE HD13 H 1 0.379 0.020 . 1 . . . A 16 ILE HD13 . 19869 1 103 . 1 1 16 16 ILE CA C 13 61.240 0.400 . 1 . . . A 16 ILE CA . 19869 1 104 . 1 1 16 16 ILE CB C 13 41.680 0.400 . 1 . . . A 16 ILE CB . 19869 1 105 . 1 1 16 16 ILE CG2 C 13 18.800 0.400 . 1 . . . A 16 ILE CG2 . 19869 1 106 . 1 1 16 16 ILE CD1 C 13 13.970 0.400 . 1 . . . A 16 ILE CD1 . 19869 1 107 . 1 1 16 16 ILE N N 15 125.117 0.400 . 1 . . . A 16 ILE N . 19869 1 108 . 1 1 17 17 TYR H H 1 10.623 0.020 . 1 . . . A 17 TYR H . 19869 1 109 . 1 1 17 17 TYR HA H 1 3.836 0.020 . 1 . . . A 17 TYR HA . 19869 1 110 . 1 1 17 17 TYR HB2 H 1 2.631 0.020 . 2 . . . A 17 TYR HB2 . 19869 1 111 . 1 1 17 17 TYR HB3 H 1 2.631 0.020 . 2 . . . A 17 TYR HB3 . 19869 1 112 . 1 1 17 17 TYR HD1 H 1 8.538 0.020 . 3 . . . A 17 TYR HD1 . 19869 1 113 . 1 1 17 17 TYR HD2 H 1 8.538 0.020 . 3 . . . A 17 TYR HD2 . 19869 1 114 . 1 1 17 17 TYR HE1 H 1 6.249 0.020 . 3 . . . A 17 TYR HE1 . 19869 1 115 . 1 1 17 17 TYR HE2 H 1 6.249 0.020 . 3 . . . A 17 TYR HE2 . 19869 1 116 . 1 1 17 17 TYR CA C 13 59.876 0.400 . 1 . . . A 17 TYR CA . 19869 1 117 . 1 1 17 17 TYR CB C 13 39.379 0.400 . 1 . . . A 17 TYR CB . 19869 1 118 . 1 1 17 17 TYR CD2 C 13 137.058 0.400 . 1 . . . A 17 TYR CD2 . 19869 1 119 . 1 1 17 17 TYR CE2 C 13 117.500 0.400 . 1 . . . A 17 TYR CE2 . 19869 1 120 . 1 1 17 17 TYR N N 15 137.064 0.400 . 1 . . . A 17 TYR N . 19869 1 121 . 1 1 18 18 GLY H H 1 8.604 0.020 . 1 . . . A 18 GLY H . 19869 1 122 . 1 1 18 18 GLY HA2 H 1 4.004 0.020 . 2 . . . A 18 GLY HA2 . 19869 1 123 . 1 1 18 18 GLY HA3 H 1 3.461 0.020 . 2 . . . A 18 GLY HA3 . 19869 1 124 . 1 1 18 18 GLY CA C 13 45.674 0.400 . 1 . . . A 18 GLY CA . 19869 1 125 . 1 1 18 18 GLY N N 15 102.991 0.400 . 1 . . . A 18 GLY N . 19869 1 126 . 1 1 19 19 GLN H H 1 7.724 0.020 . 1 . . . A 19 GLN H . 19869 1 127 . 1 1 19 19 GLN HA H 1 4.566 0.020 . 1 . . . A 19 GLN HA . 19869 1 128 . 1 1 19 19 GLN HB2 H 1 2.013 0.020 . 2 . . . A 19 GLN HB2 . 19869 1 129 . 1 1 19 19 GLN HB3 H 1 1.921 0.020 . 2 . . . A 19 GLN HB3 . 19869 1 130 . 1 1 19 19 GLN HG2 H 1 2.201 0.020 . 2 . . . A 19 GLN HG2 . 19869 1 131 . 1 1 19 19 GLN HG3 H 1 2.149 0.020 . 2 . . . A 19 GLN HG3 . 19869 1 132 . 1 1 19 19 GLN CA C 13 53.719 0.400 . 1 . . . A 19 GLN CA . 19869 1 133 . 1 1 19 19 GLN CB C 13 32.230 0.400 . 1 . . . A 19 GLN CB . 19869 1 134 . 1 1 19 19 GLN CG C 13 33.780 0.400 . 1 . . . A 19 GLN CG . 19869 1 135 . 1 1 19 19 GLN N N 15 119.104 0.400 . 1 . . . A 19 GLN N . 19869 1 136 . 1 1 20 20 ASP H H 1 8.217 0.020 . 1 . . . A 20 ASP H . 19869 1 137 . 1 1 20 20 ASP HA H 1 5.340 0.020 . 1 . . . A 20 ASP HA . 19869 1 138 . 1 1 20 20 ASP HB2 H 1 3.001 0.020 . 2 . . . A 20 ASP HB2 . 19869 1 139 . 1 1 20 20 ASP HB3 H 1 3.001 0.020 . 2 . . . A 20 ASP HB3 . 19869 1 140 . 1 1 20 20 ASP CA C 13 54.370 0.400 . 1 . . . A 20 ASP CA . 19869 1 141 . 1 1 20 20 ASP CB C 13 42.600 0.400 . 1 . . . A 20 ASP CB . 19869 1 142 . 1 1 20 20 ASP N N 15 121.913 0.400 . 1 . . . A 20 ASP N . 19869 1 143 . 1 1 21 21 TYR H H 1 9.330 0.020 . 1 . . . A 21 TYR H . 19869 1 144 . 1 1 21 21 TYR HA H 1 4.538 0.020 . 1 . . . A 21 TYR HA . 19869 1 145 . 1 1 21 21 TYR HB2 H 1 2.730 0.020 . 2 . . . A 21 TYR HB2 . 19869 1 146 . 1 1 21 21 TYR HB3 H 1 2.730 0.020 . 2 . . . A 21 TYR HB3 . 19869 1 147 . 1 1 21 21 TYR HD1 H 1 6.974 0.020 . 3 . . . A 21 TYR HD1 . 19869 1 148 . 1 1 21 21 TYR HD2 H 1 6.974 0.020 . 3 . . . A 21 TYR HD2 . 19869 1 149 . 1 1 21 21 TYR HE1 H 1 6.819 0.020 . 3 . . . A 21 TYR HE1 . 19869 1 150 . 1 1 21 21 TYR HE2 H 1 6.819 0.020 . 3 . . . A 21 TYR HE2 . 19869 1 151 . 1 1 21 21 TYR CA C 13 57.640 0.400 . 1 . . . A 21 TYR CA . 19869 1 152 . 1 1 21 21 TYR CB C 13 42.201 0.400 . 1 . . . A 21 TYR CB . 19869 1 153 . 1 1 21 21 TYR CD2 C 13 133.181 0.400 . 1 . . . A 21 TYR CD2 . 19869 1 154 . 1 1 21 21 TYR CE2 C 13 118.178 0.400 . 1 . . . A 21 TYR CE2 . 19869 1 155 . 1 1 21 21 TYR N N 15 120.801 0.400 . 1 . . . A 21 TYR N . 19869 1 156 . 1 1 22 22 THR H H 1 8.888 0.020 . 1 . . . A 22 THR H . 19869 1 157 . 1 1 22 22 THR HA H 1 4.390 0.020 . 1 . . . A 22 THR HA . 19869 1 158 . 1 1 22 22 THR HB H 1 3.951 0.020 . 1 . . . A 22 THR HB . 19869 1 159 . 1 1 22 22 THR HG21 H 1 0.999 0.020 . 1 . . . A 22 THR HG21 . 19869 1 160 . 1 1 22 22 THR HG22 H 1 0.999 0.020 . 1 . . . A 22 THR HG22 . 19869 1 161 . 1 1 22 22 THR HG23 H 1 0.999 0.020 . 1 . . . A 22 THR HG23 . 19869 1 162 . 1 1 22 22 THR CA C 13 63.230 0.400 . 1 . . . A 22 THR CA . 19869 1 163 . 1 1 22 22 THR CB C 13 69.380 0.400 . 1 . . . A 22 THR CB . 19869 1 164 . 1 1 22 22 THR CG2 C 13 21.597 0.400 . 1 . . . A 22 THR CG2 . 19869 1 165 . 1 1 22 22 THR N N 15 118.813 0.400 . 1 . . . A 22 THR N . 19869 1 166 . 1 1 23 23 ILE H H 1 9.212 0.020 . 1 . . . A 23 ILE H . 19869 1 167 . 1 1 23 23 ILE HA H 1 4.268 0.020 . 1 . . . A 23 ILE HA . 19869 1 168 . 1 1 23 23 ILE HB H 1 1.910 0.020 . 1 . . . A 23 ILE HB . 19869 1 169 . 1 1 23 23 ILE HG12 H 1 1.401 0.020 . 2 . . . A 23 ILE HG12 . 19869 1 170 . 1 1 23 23 ILE HG13 H 1 1.401 0.020 . 2 . . . A 23 ILE HG13 . 19869 1 171 . 1 1 23 23 ILE HG21 H 1 0.821 0.020 . 1 . . . A 23 ILE HG21 . 19869 1 172 . 1 1 23 23 ILE HG22 H 1 0.821 0.020 . 1 . . . A 23 ILE HG22 . 19869 1 173 . 1 1 23 23 ILE HG23 H 1 0.821 0.020 . 1 . . . A 23 ILE HG23 . 19869 1 174 . 1 1 23 23 ILE HD11 H 1 0.613 0.020 . 1 . . . A 23 ILE HD11 . 19869 1 175 . 1 1 23 23 ILE HD12 H 1 0.613 0.020 . 1 . . . A 23 ILE HD12 . 19869 1 176 . 1 1 23 23 ILE HD13 H 1 0.613 0.020 . 1 . . . A 23 ILE HD13 . 19869 1 177 . 1 1 23 23 ILE CA C 13 59.121 0.400 . 1 . . . A 23 ILE CA . 19869 1 178 . 1 1 23 23 ILE CB C 13 37.060 0.400 . 1 . . . A 23 ILE CB . 19869 1 179 . 1 1 23 23 ILE CG1 C 13 27.624 0.400 . 1 . . . A 23 ILE CG1 . 19869 1 180 . 1 1 23 23 ILE CG2 C 13 17.544 0.400 . 1 . . . A 23 ILE CG2 . 19869 1 181 . 1 1 23 23 ILE CD1 C 13 11.045 0.400 . 1 . . . A 23 ILE CD1 . 19869 1 182 . 1 1 23 23 ILE N N 15 129.291 0.400 . 1 . . . A 23 ILE N . 19869 1 183 . 1 1 24 24 VAL H H 1 8.345 0.020 . 1 . . . A 24 VAL H . 19869 1 184 . 1 1 24 24 VAL HA H 1 5.073 0.020 . 1 . . . A 24 VAL HA . 19869 1 185 . 1 1 24 24 VAL HB H 1 1.985 0.020 . 1 . . . A 24 VAL HB . 19869 1 186 . 1 1 24 24 VAL HG11 H 1 0.887 0.020 . 2 . . . A 24 VAL HG11 . 19869 1 187 . 1 1 24 24 VAL HG12 H 1 0.887 0.020 . 2 . . . A 24 VAL HG12 . 19869 1 188 . 1 1 24 24 VAL HG13 H 1 0.887 0.020 . 2 . . . A 24 VAL HG13 . 19869 1 189 . 1 1 24 24 VAL CA C 13 60.246 0.400 . 1 . . . A 24 VAL CA . 19869 1 190 . 1 1 24 24 VAL CB C 13 33.415 0.400 . 1 . . . A 24 VAL CB . 19869 1 191 . 1 1 24 24 VAL CG1 C 13 21.166 0.400 . 1 . . . A 24 VAL CG1 . 19869 1 192 . 1 1 24 24 VAL N N 15 127.112 0.400 . 1 . . . A 24 VAL N . 19869 1 193 . 1 1 25 25 GLY H H 1 8.540 0.020 . 1 . . . A 25 GLY H . 19869 1 194 . 1 1 25 25 GLY HA2 H 1 4.146 0.020 . 2 . . . A 25 GLY HA2 . 19869 1 195 . 1 1 25 25 GLY HA3 H 1 4.146 0.020 . 2 . . . A 25 GLY HA3 . 19869 1 196 . 1 1 25 25 GLY CA C 13 45.920 0.400 . 1 . . . A 25 GLY CA . 19869 1 197 . 1 1 25 25 GLY N N 15 113.745 0.400 . 1 . . . A 25 GLY N . 19869 1 198 . 1 1 26 26 ALA H H 1 8.593 0.020 . 1 . . . A 26 ALA H . 19869 1 199 . 1 1 26 26 ALA HA H 1 4.644 0.020 . 1 . . . A 26 ALA HA . 19869 1 200 . 1 1 26 26 ALA HB1 H 1 1.321 0.020 . 1 . . . A 26 ALA HB1 . 19869 1 201 . 1 1 26 26 ALA HB2 H 1 1.321 0.020 . 1 . . . A 26 ALA HB2 . 19869 1 202 . 1 1 26 26 ALA HB3 H 1 1.321 0.020 . 1 . . . A 26 ALA HB3 . 19869 1 203 . 1 1 26 26 ALA CA C 13 51.639 0.400 . 1 . . . A 26 ALA CA . 19869 1 204 . 1 1 26 26 ALA CB C 13 19.725 0.400 . 1 . . . A 26 ALA CB . 19869 1 205 . 1 1 26 26 ALA N N 15 123.321 0.400 . 1 . . . A 26 ALA N . 19869 1 206 . 1 1 27 27 GLU H H 1 8.120 0.020 . 1 . . . A 27 GLU H . 19869 1 207 . 1 1 27 27 GLU HA H 1 4.302 0.020 . 1 . . . A 27 GLU HA . 19869 1 208 . 1 1 27 27 GLU HB2 H 1 2.067 0.020 . 2 . . . A 27 GLU HB2 . 19869 1 209 . 1 1 27 27 GLU HB3 H 1 2.067 0.020 . 2 . . . A 27 GLU HB3 . 19869 1 210 . 1 1 27 27 GLU HG2 H 1 2.198 0.020 . 2 . . . A 27 GLU HG2 . 19869 1 211 . 1 1 27 27 GLU HG3 H 1 2.198 0.020 . 2 . . . A 27 GLU HG3 . 19869 1 212 . 1 1 27 27 GLU CA C 13 55.670 0.400 . 1 . . . A 27 GLU CA . 19869 1 213 . 1 1 27 27 GLU CB C 13 30.724 0.400 . 1 . . . A 27 GLU CB . 19869 1 214 . 1 1 27 27 GLU CG C 13 36.120 0.400 . 1 . . . A 27 GLU CG . 19869 1 215 . 1 1 27 27 GLU N N 15 118.135 0.400 . 1 . . . A 27 GLU N . 19869 1 216 . 1 1 28 28 SER H H 1 8.723 0.020 . 1 . . . A 28 SER H . 19869 1 217 . 1 1 28 28 SER HA H 1 4.700 0.020 . 1 . . . A 28 SER HA . 19869 1 218 . 1 1 28 28 SER HB2 H 1 3.833 0.020 . 2 . . . A 28 SER HB2 . 19869 1 219 . 1 1 28 28 SER HB3 H 1 3.833 0.020 . 2 . . . A 28 SER HB3 . 19869 1 220 . 1 1 28 28 SER CA C 13 56.044 0.400 . 1 . . . A 28 SER CA . 19869 1 221 . 1 1 28 28 SER N N 15 115.651 0.400 . 1 . . . A 28 SER N . 19869 1 222 . 1 1 29 29 PRO HA H 1 4.111 0.020 . 1 . . . A 29 PRO HA . 19869 1 223 . 1 1 29 29 PRO HB2 H 1 2.306 0.020 . 2 . . . A 29 PRO HB2 . 19869 1 224 . 1 1 29 29 PRO HB3 H 1 2.306 0.020 . 2 . . . A 29 PRO HB3 . 19869 1 225 . 1 1 29 29 PRO HG2 H 1 1.965 0.020 . 2 . . . A 29 PRO HG2 . 19869 1 226 . 1 1 29 29 PRO HG3 H 1 1.965 0.020 . 2 . . . A 29 PRO HG3 . 19869 1 227 . 1 1 29 29 PRO CA C 13 65.792 0.400 . 1 . . . A 29 PRO CA . 19869 1 228 . 1 1 29 29 PRO CB C 13 31.750 0.400 . 1 . . . A 29 PRO CB . 19869 1 229 . 1 1 29 29 PRO CG C 13 29.820 0.400 . 1 . . . A 29 PRO CG . 19869 1 230 . 1 1 30 30 ALA H H 1 7.994 0.020 . 1 . . . A 30 ALA H . 19869 1 231 . 1 1 30 30 ALA HA H 1 4.028 0.020 . 1 . . . A 30 ALA HA . 19869 1 232 . 1 1 30 30 ALA HB1 H 1 1.419 0.020 . 1 . . . A 30 ALA HB1 . 19869 1 233 . 1 1 30 30 ALA HB2 H 1 1.419 0.020 . 1 . . . A 30 ALA HB2 . 19869 1 234 . 1 1 30 30 ALA HB3 H 1 1.419 0.020 . 1 . . . A 30 ALA HB3 . 19869 1 235 . 1 1 30 30 ALA CA C 13 55.258 0.400 . 1 . . . A 30 ALA CA . 19869 1 236 . 1 1 30 30 ALA CB C 13 18.240 0.400 . 1 . . . A 30 ALA CB . 19869 1 237 . 1 1 30 30 ALA N N 15 117.252 0.400 . 1 . . . A 30 ALA N . 19869 1 238 . 1 1 31 31 HIS H H 1 7.902 0.020 . 1 . . . A 31 HIS H . 19869 1 239 . 1 1 31 31 HIS HA H 1 4.278 0.020 . 1 . . . A 31 HIS HA . 19869 1 240 . 1 1 31 31 HIS HB2 H 1 3.353 0.020 . 2 . . . A 31 HIS HB2 . 19869 1 241 . 1 1 31 31 HIS HB3 H 1 3.353 0.020 . 2 . . . A 31 HIS HB3 . 19869 1 242 . 1 1 31 31 HIS CA C 13 59.697 0.400 . 1 . . . A 31 HIS CA . 19869 1 243 . 1 1 31 31 HIS CB C 13 30.320 0.400 . 1 . . . A 31 HIS CB . 19869 1 244 . 1 1 31 31 HIS N N 15 119.161 0.400 . 1 . . . A 31 HIS N . 19869 1 245 . 1 1 32 32 ILE H H 1 8.092 0.020 . 1 . . . A 32 ILE H . 19869 1 246 . 1 1 32 32 ILE HA H 1 3.478 0.020 . 1 . . . A 32 ILE HA . 19869 1 247 . 1 1 32 32 ILE HB H 1 1.881 0.020 . 1 . . . A 32 ILE HB . 19869 1 248 . 1 1 32 32 ILE HG12 H 1 1.530 0.020 . 2 . . . A 32 ILE HG12 . 19869 1 249 . 1 1 32 32 ILE HG13 H 1 1.324 0.020 . 2 . . . A 32 ILE HG13 . 19869 1 250 . 1 1 32 32 ILE HG21 H 1 0.728 0.020 . 1 . . . A 32 ILE HG21 . 19869 1 251 . 1 1 32 32 ILE HG22 H 1 0.728 0.020 . 1 . . . A 32 ILE HG22 . 19869 1 252 . 1 1 32 32 ILE HG23 H 1 0.728 0.020 . 1 . . . A 32 ILE HG23 . 19869 1 253 . 1 1 32 32 ILE HD11 H 1 0.655 0.020 . 1 . . . A 32 ILE HD11 . 19869 1 254 . 1 1 32 32 ILE HD12 H 1 0.655 0.020 . 1 . . . A 32 ILE HD12 . 19869 1 255 . 1 1 32 32 ILE HD13 H 1 0.655 0.020 . 1 . . . A 32 ILE HD13 . 19869 1 256 . 1 1 32 32 ILE CA C 13 63.480 0.400 . 1 . . . A 32 ILE CA . 19869 1 257 . 1 1 32 32 ILE CB C 13 36.290 0.400 . 1 . . . A 32 ILE CB . 19869 1 258 . 1 1 32 32 ILE CG1 C 13 28.085 0.400 . 1 . . . A 32 ILE CG1 . 19869 1 259 . 1 1 32 32 ILE CG2 C 13 18.162 0.400 . 1 . . . A 32 ILE CG2 . 19869 1 260 . 1 1 32 32 ILE CD1 C 13 10.650 0.400 . 1 . . . A 32 ILE CD1 . 19869 1 261 . 1 1 32 32 ILE N N 15 118.000 0.400 . 1 . . . A 32 ILE N . 19869 1 262 . 1 1 33 33 ARG H H 1 8.436 0.020 . 1 . . . A 33 ARG H . 19869 1 263 . 1 1 33 33 ARG HA H 1 3.911 0.020 . 1 . . . A 33 ARG HA . 19869 1 264 . 1 1 33 33 ARG HB2 H 1 1.847 0.020 . 2 . . . A 33 ARG HB2 . 19869 1 265 . 1 1 33 33 ARG HB3 H 1 1.847 0.020 . 2 . . . A 33 ARG HB3 . 19869 1 266 . 1 1 33 33 ARG HG2 H 1 1.634 0.020 . 2 . . . A 33 ARG HG2 . 19869 1 267 . 1 1 33 33 ARG HG3 H 1 1.634 0.020 . 2 . . . A 33 ARG HG3 . 19869 1 268 . 1 1 33 33 ARG HD2 H 1 3.243 0.020 . 2 . . . A 33 ARG HD2 . 19869 1 269 . 1 1 33 33 ARG HD3 H 1 3.122 0.020 . 2 . . . A 33 ARG HD3 . 19869 1 270 . 1 1 33 33 ARG CA C 13 60.741 0.400 . 1 . . . A 33 ARG CA . 19869 1 271 . 1 1 33 33 ARG CB C 13 29.839 0.400 . 1 . . . A 33 ARG CB . 19869 1 272 . 1 1 33 33 ARG CG C 13 26.684 0.400 . 1 . . . A 33 ARG CG . 19869 1 273 . 1 1 33 33 ARG CD C 13 43.390 0.400 . 1 . . . A 33 ARG CD . 19869 1 274 . 1 1 33 33 ARG N N 15 118.612 0.400 . 1 . . . A 33 ARG N . 19869 1 275 . 1 1 34 34 LEU H H 1 7.565 0.020 . 1 . . . A 34 LEU H . 19869 1 276 . 1 1 34 34 LEU HA H 1 4.154 0.020 . 1 . . . A 34 LEU HA . 19869 1 277 . 1 1 34 34 LEU HB2 H 1 1.829 0.020 . 2 . . . A 34 LEU HB2 . 19869 1 278 . 1 1 34 34 LEU HB3 H 1 1.739 0.020 . 2 . . . A 34 LEU HB3 . 19869 1 279 . 1 1 34 34 LEU HG H 1 1.642 0.020 . 1 . . . A 34 LEU HG . 19869 1 280 . 1 1 34 34 LEU HD11 H 1 0.851 0.020 . 2 . . . A 34 LEU HD11 . 19869 1 281 . 1 1 34 34 LEU HD12 H 1 0.851 0.020 . 2 . . . A 34 LEU HD12 . 19869 1 282 . 1 1 34 34 LEU HD13 H 1 0.851 0.020 . 2 . . . A 34 LEU HD13 . 19869 1 283 . 1 1 34 34 LEU HD21 H 1 0.829 0.020 . 2 . . . A 34 LEU HD21 . 19869 1 284 . 1 1 34 34 LEU HD22 H 1 0.829 0.020 . 2 . . . A 34 LEU HD22 . 19869 1 285 . 1 1 34 34 LEU HD23 H 1 0.829 0.020 . 2 . . . A 34 LEU HD23 . 19869 1 286 . 1 1 34 34 LEU CA C 13 57.400 0.400 . 1 . . . A 34 LEU CA . 19869 1 287 . 1 1 34 34 LEU CB C 13 41.998 0.400 . 1 . . . A 34 LEU CB . 19869 1 288 . 1 1 34 34 LEU CG C 13 26.317 0.400 . 1 . . . A 34 LEU CG . 19869 1 289 . 1 1 34 34 LEU CD1 C 13 23.937 0.400 . 1 . . . A 34 LEU CD1 . 19869 1 290 . 1 1 34 34 LEU CD2 C 13 24.685 0.400 . 1 . . . A 34 LEU CD2 . 19869 1 291 . 1 1 34 34 LEU N N 15 122.935 0.400 . 1 . . . A 34 LEU N . 19869 1 292 . 1 1 35 35 VAL H H 1 8.414 0.020 . 1 . . . A 35 VAL H . 19869 1 293 . 1 1 35 35 VAL HA H 1 3.333 0.020 . 1 . . . A 35 VAL HA . 19869 1 294 . 1 1 35 35 VAL HB H 1 2.070 0.020 . 1 . . . A 35 VAL HB . 19869 1 295 . 1 1 35 35 VAL HG11 H 1 0.790 0.020 . 2 . . . A 35 VAL HG11 . 19869 1 296 . 1 1 35 35 VAL HG12 H 1 0.790 0.020 . 2 . . . A 35 VAL HG12 . 19869 1 297 . 1 1 35 35 VAL HG13 H 1 0.790 0.020 . 2 . . . A 35 VAL HG13 . 19869 1 298 . 1 1 35 35 VAL HG21 H 1 0.455 0.020 . 2 . . . A 35 VAL HG21 . 19869 1 299 . 1 1 35 35 VAL HG22 H 1 0.455 0.020 . 2 . . . A 35 VAL HG22 . 19869 1 300 . 1 1 35 35 VAL HG23 H 1 0.455 0.020 . 2 . . . A 35 VAL HG23 . 19869 1 301 . 1 1 35 35 VAL CA C 13 66.440 0.400 . 1 . . . A 35 VAL CA . 19869 1 302 . 1 1 35 35 VAL CB C 13 31.149 0.400 . 1 . . . A 35 VAL CB . 19869 1 303 . 1 1 35 35 VAL CG1 C 13 26.664 0.400 . 1 . . . A 35 VAL CG1 . 19869 1 304 . 1 1 35 35 VAL CG2 C 13 22.120 0.400 . 1 . . . A 35 VAL CG2 . 19869 1 305 . 1 1 35 35 VAL N N 15 121.579 0.400 . 1 . . . A 35 VAL N . 19869 1 306 . 1 1 36 36 ALA H H 1 8.791 0.020 . 1 . . . A 36 ALA H . 19869 1 307 . 1 1 36 36 ALA HA H 1 3.794 0.020 . 1 . . . A 36 ALA HA . 19869 1 308 . 1 1 36 36 ALA HB1 H 1 1.408 0.020 . 1 . . . A 36 ALA HB1 . 19869 1 309 . 1 1 36 36 ALA HB2 H 1 1.408 0.020 . 1 . . . A 36 ALA HB2 . 19869 1 310 . 1 1 36 36 ALA HB3 H 1 1.408 0.020 . 1 . . . A 36 ALA HB3 . 19869 1 311 . 1 1 36 36 ALA CA C 13 55.555 0.400 . 1 . . . A 36 ALA CA . 19869 1 312 . 1 1 36 36 ALA CB C 13 18.310 0.400 . 1 . . . A 36 ALA CB . 19869 1 313 . 1 1 36 36 ALA N N 15 121.368 0.400 . 1 . . . A 36 ALA N . 19869 1 314 . 1 1 37 37 ALA H H 1 7.648 0.020 . 1 . . . A 37 ALA H . 19869 1 315 . 1 1 37 37 ALA HA H 1 4.305 0.020 . 1 . . . A 37 ALA HA . 19869 1 316 . 1 1 37 37 ALA HB1 H 1 1.580 0.020 . 1 . . . A 37 ALA HB1 . 19869 1 317 . 1 1 37 37 ALA HB2 H 1 1.580 0.020 . 1 . . . A 37 ALA HB2 . 19869 1 318 . 1 1 37 37 ALA HB3 H 1 1.580 0.020 . 1 . . . A 37 ALA HB3 . 19869 1 319 . 1 1 37 37 ALA CA C 13 54.825 0.400 . 1 . . . A 37 ALA CA . 19869 1 320 . 1 1 37 37 ALA CB C 13 18.020 0.400 . 1 . . . A 37 ALA CB . 19869 1 321 . 1 1 37 37 ALA N N 15 119.373 0.400 . 1 . . . A 37 ALA N . 19869 1 322 . 1 1 38 38 PHE H H 1 7.923 0.020 . 1 . . . A 38 PHE H . 19869 1 323 . 1 1 38 38 PHE HA H 1 4.449 0.020 . 1 . . . A 38 PHE HA . 19869 1 324 . 1 1 38 38 PHE HB2 H 1 3.510 0.020 . 2 . . . A 38 PHE HB2 . 19869 1 325 . 1 1 38 38 PHE HB3 H 1 3.298 0.020 . 2 . . . A 38 PHE HB3 . 19869 1 326 . 1 1 38 38 PHE HD1 H 1 7.287 0.020 . 3 . . . A 38 PHE HD1 . 19869 1 327 . 1 1 38 38 PHE HD2 H 1 7.287 0.020 . 3 . . . A 38 PHE HD2 . 19869 1 328 . 1 1 38 38 PHE HE1 H 1 7.350 0.020 . 3 . . . A 38 PHE HE1 . 19869 1 329 . 1 1 38 38 PHE HE2 H 1 7.350 0.020 . 3 . . . A 38 PHE HE2 . 19869 1 330 . 1 1 38 38 PHE CA C 13 61.148 0.400 . 1 . . . A 38 PHE CA . 19869 1 331 . 1 1 38 38 PHE CB C 13 39.350 0.400 . 1 . . . A 38 PHE CB . 19869 1 332 . 1 1 38 38 PHE CD1 C 13 132.282 0.400 . 1 . . . A 38 PHE CD1 . 19869 1 333 . 1 1 38 38 PHE CE1 C 13 130.520 0.400 . 1 . . . A 38 PHE CE1 . 19869 1 334 . 1 1 38 38 PHE N N 15 120.906 0.400 . 1 . . . A 38 PHE N . 19869 1 335 . 1 1 39 39 VAL H H 1 8.482 0.020 . 1 . . . A 39 VAL H . 19869 1 336 . 1 1 39 39 VAL HA H 1 3.219 0.020 . 1 . . . A 39 VAL HA . 19869 1 337 . 1 1 39 39 VAL HB H 1 2.059 0.020 . 1 . . . A 39 VAL HB . 19869 1 338 . 1 1 39 39 VAL HG11 H 1 0.793 0.020 . 2 . . . A 39 VAL HG11 . 19869 1 339 . 1 1 39 39 VAL HG12 H 1 0.793 0.020 . 2 . . . A 39 VAL HG12 . 19869 1 340 . 1 1 39 39 VAL HG13 H 1 0.793 0.020 . 2 . . . A 39 VAL HG13 . 19869 1 341 . 1 1 39 39 VAL HG21 H 1 0.935 0.020 . 2 . . . A 39 VAL HG21 . 19869 1 342 . 1 1 39 39 VAL HG22 H 1 0.935 0.020 . 2 . . . A 39 VAL HG22 . 19869 1 343 . 1 1 39 39 VAL HG23 H 1 0.935 0.020 . 2 . . . A 39 VAL HG23 . 19869 1 344 . 1 1 39 39 VAL CA C 13 67.520 0.400 . 1 . . . A 39 VAL CA . 19869 1 345 . 1 1 39 39 VAL CB C 13 32.059 0.400 . 1 . . . A 39 VAL CB . 19869 1 346 . 1 1 39 39 VAL CG1 C 13 21.309 0.400 . 1 . . . A 39 VAL CG1 . 19869 1 347 . 1 1 39 39 VAL CG2 C 13 24.163 0.400 . 1 . . . A 39 VAL CG2 . 19869 1 348 . 1 1 39 39 VAL N N 15 119.731 0.400 . 1 . . . A 39 VAL N . 19869 1 349 . 1 1 40 40 ASP H H 1 8.851 0.020 . 1 . . . A 40 ASP H . 19869 1 350 . 1 1 40 40 ASP HA H 1 4.449 0.020 . 1 . . . A 40 ASP HA . 19869 1 351 . 1 1 40 40 ASP HB2 H 1 2.979 0.020 . 2 . . . A 40 ASP HB2 . 19869 1 352 . 1 1 40 40 ASP HB3 H 1 2.979 0.020 . 2 . . . A 40 ASP HB3 . 19869 1 353 . 1 1 40 40 ASP CA C 13 58.600 0.400 . 1 . . . A 40 ASP CA . 19869 1 354 . 1 1 40 40 ASP CB C 13 43.300 0.400 . 1 . . . A 40 ASP CB . 19869 1 355 . 1 1 40 40 ASP N N 15 120.200 0.400 . 1 . . . A 40 ASP N . 19869 1 356 . 1 1 41 41 ASP H H 1 8.743 0.020 . 1 . . . A 41 ASP H . 19869 1 357 . 1 1 41 41 ASP HA H 1 4.532 0.020 . 1 . . . A 41 ASP HA . 19869 1 358 . 1 1 41 41 ASP HB2 H 1 2.938 0.020 . 2 . . . A 41 ASP HB2 . 19869 1 359 . 1 1 41 41 ASP HB3 H 1 2.654 0.020 . 2 . . . A 41 ASP HB3 . 19869 1 360 . 1 1 41 41 ASP CA C 13 57.860 0.400 . 1 . . . A 41 ASP CA . 19869 1 361 . 1 1 41 41 ASP CB C 13 40.560 0.400 . 1 . . . A 41 ASP CB . 19869 1 362 . 1 1 41 41 ASP N N 15 120.967 0.400 . 1 . . . A 41 ASP N . 19869 1 363 . 1 1 42 42 LYS H H 1 7.990 0.020 . 1 . . . A 42 LYS H . 19869 1 364 . 1 1 42 42 LYS HA H 1 3.967 0.020 . 1 . . . A 42 LYS HA . 19869 1 365 . 1 1 42 42 LYS HB2 H 1 1.813 0.020 . 2 . . . A 42 LYS HB2 . 19869 1 366 . 1 1 42 42 LYS HB3 H 1 1.813 0.020 . 2 . . . A 42 LYS HB3 . 19869 1 367 . 1 1 42 42 LYS HG2 H 1 1.430 0.020 . 2 . . . A 42 LYS HG2 . 19869 1 368 . 1 1 42 42 LYS HG3 H 1 1.430 0.020 . 2 . . . A 42 LYS HG3 . 19869 1 369 . 1 1 42 42 LYS HD2 H 1 1.686 0.020 . 2 . . . A 42 LYS HD2 . 19869 1 370 . 1 1 42 42 LYS HD3 H 1 1.686 0.020 . 2 . . . A 42 LYS HD3 . 19869 1 371 . 1 1 42 42 LYS HE2 H 1 2.899 0.020 . 2 . . . A 42 LYS HE2 . 19869 1 372 . 1 1 42 42 LYS HE3 H 1 2.899 0.020 . 2 . . . A 42 LYS HE3 . 19869 1 373 . 1 1 42 42 LYS CA C 13 57.880 0.400 . 1 . . . A 42 LYS CA . 19869 1 374 . 1 1 42 42 LYS CB C 13 31.440 0.400 . 1 . . . A 42 LYS CB . 19869 1 375 . 1 1 42 42 LYS CG C 13 24.880 0.400 . 1 . . . A 42 LYS CG . 19869 1 376 . 1 1 42 42 LYS CD C 13 28.550 0.400 . 1 . . . A 42 LYS CD . 19869 1 377 . 1 1 42 42 LYS CE C 13 42.000 0.400 . 1 . . . A 42 LYS CE . 19869 1 378 . 1 1 42 42 LYS N N 15 120.600 0.400 . 1 . . . A 42 LYS N . 19869 1 379 . 1 1 43 43 MET H H 1 8.844 0.020 . 1 . . . A 43 MET H . 19869 1 380 . 1 1 43 43 MET HA H 1 3.957 0.020 . 1 . . . A 43 MET HA . 19869 1 381 . 1 1 43 43 MET HB2 H 1 2.088 0.020 . 2 . . . A 43 MET HB2 . 19869 1 382 . 1 1 43 43 MET HB3 H 1 2.070 0.020 . 2 . . . A 43 MET HB3 . 19869 1 383 . 1 1 43 43 MET CA C 13 55.600 0.400 . 1 . . . A 43 MET CA . 19869 1 384 . 1 1 43 43 MET CB C 13 33.950 0.400 . 1 . . . A 43 MET CB . 19869 1 385 . 1 1 43 43 MET N N 15 119.600 0.400 . 1 . . . A 43 MET N . 19869 1 386 . 1 1 44 44 HIS H H 1 8.296 0.020 . 1 . . . A 44 HIS H . 19869 1 387 . 1 1 44 44 HIS HA H 1 4.408 0.020 . 1 . . . A 44 HIS HA . 19869 1 388 . 1 1 44 44 HIS HB2 H 1 3.420 0.020 . 2 . . . A 44 HIS HB2 . 19869 1 389 . 1 1 44 44 HIS HB3 H 1 3.420 0.020 . 2 . . . A 44 HIS HB3 . 19869 1 390 . 1 1 44 44 HIS CA C 13 61.250 0.400 . 1 . . . A 44 HIS CA . 19869 1 391 . 1 1 44 44 HIS CB C 13 28.045 0.400 . 1 . . . A 44 HIS CB . 19869 1 392 . 1 1 44 44 HIS N N 15 115.981 0.400 . 1 . . . A 44 HIS N . 19869 1 393 . 1 1 45 45 GLU H H 1 8.399 0.020 . 1 . . . A 45 GLU H . 19869 1 394 . 1 1 45 45 GLU HA H 1 4.034 0.020 . 1 . . . A 45 GLU HA . 19869 1 395 . 1 1 45 45 GLU HB2 H 1 2.123 0.020 . 2 . . . A 45 GLU HB2 . 19869 1 396 . 1 1 45 45 GLU HB3 H 1 2.052 0.020 . 2 . . . A 45 GLU HB3 . 19869 1 397 . 1 1 45 45 GLU HG2 H 1 2.343 0.020 . 2 . . . A 45 GLU HG2 . 19869 1 398 . 1 1 45 45 GLU HG3 H 1 1.944 0.020 . 2 . . . A 45 GLU HG3 . 19869 1 399 . 1 1 45 45 GLU CA C 13 59.580 0.400 . 1 . . . A 45 GLU CA . 19869 1 400 . 1 1 45 45 GLU CB C 13 29.533 0.400 . 1 . . . A 45 GLU CB . 19869 1 401 . 1 1 45 45 GLU CG C 13 36.110 0.400 . 1 . . . A 45 GLU CG . 19869 1 402 . 1 1 45 45 GLU N N 15 122.501 0.400 . 1 . . . A 45 GLU N . 19869 1 403 . 1 1 46 46 PHE H H 1 8.320 0.020 . 1 . . . A 46 PHE H . 19869 1 404 . 1 1 46 46 PHE HA H 1 4.183 0.020 . 1 . . . A 46 PHE HA . 19869 1 405 . 1 1 46 46 PHE HB2 H 1 3.024 0.020 . 2 . . . A 46 PHE HB2 . 19869 1 406 . 1 1 46 46 PHE HB3 H 1 2.949 0.020 . 2 . . . A 46 PHE HB3 . 19869 1 407 . 1 1 46 46 PHE HD1 H 1 7.225 0.020 . 3 . . . A 46 PHE HD1 . 19869 1 408 . 1 1 46 46 PHE HD2 H 1 7.225 0.020 . 3 . . . A 46 PHE HD2 . 19869 1 409 . 1 1 46 46 PHE CA C 13 61.689 0.400 . 1 . . . A 46 PHE CA . 19869 1 410 . 1 1 46 46 PHE CB C 13 38.979 0.400 . 1 . . . A 46 PHE CB . 19869 1 411 . 1 1 46 46 PHE CD2 C 13 131.317 0.400 . 1 . . . A 46 PHE CD2 . 19869 1 412 . 1 1 46 46 PHE N N 15 118.451 0.400 . 1 . . . A 46 PHE N . 19869 1 413 . 1 1 47 47 SER H H 1 8.278 0.020 . 1 . . . A 47 SER H . 19869 1 414 . 1 1 47 47 SER HA H 1 4.111 0.020 . 1 . . . A 47 SER HA . 19869 1 415 . 1 1 47 47 SER HB2 H 1 4.050 0.020 . 2 . . . A 47 SER HB2 . 19869 1 416 . 1 1 47 47 SER HB3 H 1 4.103 0.020 . 2 . . . A 47 SER HB3 . 19869 1 417 . 1 1 47 47 SER CA C 13 60.281 0.400 . 1 . . . A 47 SER CA . 19869 1 418 . 1 1 47 47 SER CB C 13 63.321 0.400 . 1 . . . A 47 SER CB . 19869 1 419 . 1 1 47 47 SER N N 15 114.878 0.400 . 1 . . . A 47 SER N . 19869 1 420 . 1 1 48 48 GLU H H 1 7.651 0.020 . 1 . . . A 48 GLU H . 19869 1 421 . 1 1 48 48 GLU HA H 1 4.059 0.020 . 1 . . . A 48 GLU HA . 19869 1 422 . 1 1 48 48 GLU HB2 H 1 2.113 0.020 . 2 . . . A 48 GLU HB2 . 19869 1 423 . 1 1 48 48 GLU HB3 H 1 2.093 0.020 . 2 . . . A 48 GLU HB3 . 19869 1 424 . 1 1 48 48 GLU HG2 H 1 2.430 0.020 . 2 . . . A 48 GLU HG2 . 19869 1 425 . 1 1 48 48 GLU HG3 H 1 2.265 0.020 . 2 . . . A 48 GLU HG3 . 19869 1 426 . 1 1 48 48 GLU CA C 13 58.641 0.400 . 1 . . . A 48 GLU CA . 19869 1 427 . 1 1 48 48 GLU CB C 13 29.720 0.400 . 1 . . . A 48 GLU CB . 19869 1 428 . 1 1 48 48 GLU CG C 13 36.110 0.400 . 1 . . . A 48 GLU CG . 19869 1 429 . 1 1 48 48 GLU N N 15 118.579 0.400 . 1 . . . A 48 GLU N . 19869 1 430 . 1 1 49 49 LYS H H 1 7.281 0.020 . 1 . . . A 49 LYS H . 19869 1 431 . 1 1 49 49 LYS HA H 1 4.211 0.020 . 1 . . . A 49 LYS HA . 19869 1 432 . 1 1 49 49 LYS HB2 H 1 1.968 0.020 . 2 . . . A 49 LYS HB2 . 19869 1 433 . 1 1 49 49 LYS HB3 H 1 1.892 0.020 . 2 . . . A 49 LYS HB3 . 19869 1 434 . 1 1 49 49 LYS HG2 H 1 1.593 0.020 . 2 . . . A 49 LYS HG2 . 19869 1 435 . 1 1 49 49 LYS HG3 H 1 1.490 0.020 . 2 . . . A 49 LYS HG3 . 19869 1 436 . 1 1 49 49 LYS HD2 H 1 1.569 0.020 . 2 . . . A 49 LYS HD2 . 19869 1 437 . 1 1 49 49 LYS HD3 H 1 1.569 0.020 . 2 . . . A 49 LYS HD3 . 19869 1 438 . 1 1 49 49 LYS HE2 H 1 3.024 0.020 . 2 . . . A 49 LYS HE2 . 19869 1 439 . 1 1 49 49 LYS HE3 H 1 2.944 0.020 . 2 . . . A 49 LYS HE3 . 19869 1 440 . 1 1 49 49 LYS CA C 13 57.580 0.400 . 1 . . . A 49 LYS CA . 19869 1 441 . 1 1 49 49 LYS CB C 13 33.450 0.400 . 1 . . . A 49 LYS CB . 19869 1 442 . 1 1 49 49 LYS CG C 13 25.456 0.400 . 1 . . . A 49 LYS CG . 19869 1 443 . 1 1 49 49 LYS CD C 13 29.290 0.400 . 1 . . . A 49 LYS CD . 19869 1 444 . 1 1 49 49 LYS CE C 13 38.648 0.400 . 1 . . . A 49 LYS CE . 19869 1 445 . 1 1 49 49 LYS N N 15 116.048 0.400 . 1 . . . A 49 LYS N . 19869 1 446 . 1 1 50 50 GLN H H 1 7.930 0.020 . 1 . . . A 50 GLN H . 19869 1 447 . 1 1 50 50 GLN HA H 1 4.249 0.020 . 1 . . . A 50 GLN HA . 19869 1 448 . 1 1 50 50 GLN HB2 H 1 2.003 0.020 . 2 . . . A 50 GLN HB2 . 19869 1 449 . 1 1 50 50 GLN HB3 H 1 2.003 0.020 . 2 . . . A 50 GLN HB3 . 19869 1 450 . 1 1 50 50 GLN HG2 H 1 2.204 0.020 . 2 . . . A 50 GLN HG2 . 19869 1 451 . 1 1 50 50 GLN HG3 H 1 2.204 0.020 . 2 . . . A 50 GLN HG3 . 19869 1 452 . 1 1 50 50 GLN CA C 13 55.610 0.400 . 1 . . . A 50 GLN CA . 19869 1 453 . 1 1 50 50 GLN CB C 13 30.050 0.400 . 1 . . . A 50 GLN CB . 19869 1 454 . 1 1 50 50 GLN CG C 13 34.038 0.400 . 1 . . . A 50 GLN CG . 19869 1 455 . 1 1 50 50 GLN N N 15 117.953 0.400 . 1 . . . A 50 GLN N . 19869 1 456 . 1 1 51 51 PRO HA H 1 4.597 0.020 . 1 . . . A 51 PRO HA . 19869 1 457 . 1 1 51 51 PRO HB2 H 1 2.421 0.020 . 2 . . . A 51 PRO HB2 . 19869 1 458 . 1 1 51 51 PRO HB3 H 1 1.981 0.020 . 2 . . . A 51 PRO HB3 . 19869 1 459 . 1 1 51 51 PRO HG2 H 1 2.035 0.020 . 2 . . . A 51 PRO HG2 . 19869 1 460 . 1 1 51 51 PRO HG3 H 1 1.904 0.020 . 2 . . . A 51 PRO HG3 . 19869 1 461 . 1 1 51 51 PRO HD2 H 1 3.619 0.020 . 2 . . . A 51 PRO HD2 . 19869 1 462 . 1 1 51 51 PRO HD3 H 1 3.382 0.020 . 2 . . . A 51 PRO HD3 . 19869 1 463 . 1 1 51 51 PRO CA C 13 63.600 0.400 . 1 . . . A 51 PRO CA . 19869 1 464 . 1 1 51 51 PRO CB C 13 32.522 0.400 . 1 . . . A 51 PRO CB . 19869 1 465 . 1 1 51 51 PRO CG C 13 27.139 0.400 . 1 . . . A 51 PRO CG . 19869 1 466 . 1 1 51 51 PRO CD C 13 50.430 0.400 . 1 . . . A 51 PRO CD . 19869 1 467 . 1 1 52 52 MET H H 1 8.558 0.020 . 1 . . . A 52 MET H . 19869 1 468 . 1 1 52 52 MET HA H 1 4.513 0.020 . 1 . . . A 52 MET HA . 19869 1 469 . 1 1 52 52 MET HB2 H 1 2.223 0.020 . 2 . . . A 52 MET HB2 . 19869 1 470 . 1 1 52 52 MET HB3 H 1 2.116 0.020 . 2 . . . A 52 MET HB3 . 19869 1 471 . 1 1 52 52 MET HG2 H 1 2.681 0.020 . 2 . . . A 52 MET HG2 . 19869 1 472 . 1 1 52 52 MET HG3 H 1 2.475 0.020 . 2 . . . A 52 MET HG3 . 19869 1 473 . 1 1 52 52 MET CA C 13 55.505 0.400 . 1 . . . A 52 MET CA . 19869 1 474 . 1 1 52 52 MET CB C 13 30.920 0.400 . 1 . . . A 52 MET CB . 19869 1 475 . 1 1 52 52 MET CG C 13 33.030 0.400 . 1 . . . A 52 MET CG . 19869 1 476 . 1 1 52 52 MET N N 15 115.230 0.400 . 1 . . . A 52 MET N . 19869 1 477 . 1 1 53 53 LEU H H 1 7.557 0.020 . 1 . . . A 53 LEU H . 19869 1 478 . 1 1 53 53 LEU HA H 1 4.252 0.020 . 1 . . . A 53 LEU HA . 19869 1 479 . 1 1 53 53 LEU HB2 H 1 1.852 0.020 . 2 . . . A 53 LEU HB2 . 19869 1 480 . 1 1 53 53 LEU HB3 H 1 1.414 0.020 . 2 . . . A 53 LEU HB3 . 19869 1 481 . 1 1 53 53 LEU HG H 1 1.858 0.020 . 1 . . . A 53 LEU HG . 19869 1 482 . 1 1 53 53 LEU HD11 H 1 0.847 0.020 . 2 . . . A 53 LEU HD11 . 19869 1 483 . 1 1 53 53 LEU HD12 H 1 0.847 0.020 . 2 . . . A 53 LEU HD12 . 19869 1 484 . 1 1 53 53 LEU HD13 H 1 0.847 0.020 . 2 . . . A 53 LEU HD13 . 19869 1 485 . 1 1 53 53 LEU HD21 H 1 0.879 0.020 . 2 . . . A 53 LEU HD21 . 19869 1 486 . 1 1 53 53 LEU HD22 H 1 0.879 0.020 . 2 . . . A 53 LEU HD22 . 19869 1 487 . 1 1 53 53 LEU HD23 H 1 0.879 0.020 . 2 . . . A 53 LEU HD23 . 19869 1 488 . 1 1 53 53 LEU CA C 13 55.690 0.400 . 1 . . . A 53 LEU CA . 19869 1 489 . 1 1 53 53 LEU CB C 13 42.728 0.400 . 1 . . . A 53 LEU CB . 19869 1 490 . 1 1 53 53 LEU CG C 13 26.810 0.400 . 1 . . . A 53 LEU CG . 19869 1 491 . 1 1 53 53 LEU CD1 C 13 24.430 0.400 . 1 . . . A 53 LEU CD1 . 19869 1 492 . 1 1 53 53 LEU CD2 C 13 26.779 0.400 . 1 . . . A 53 LEU CD2 . 19869 1 493 . 1 1 53 53 LEU N N 15 120.540 0.400 . 1 . . . A 53 LEU N . 19869 1 494 . 1 1 54 54 ASP H H 1 7.941 0.020 . 1 . . . A 54 ASP H . 19869 1 495 . 1 1 54 54 ASP HA H 1 4.640 0.020 . 1 . . . A 54 ASP HA . 19869 1 496 . 1 1 54 54 ASP HB2 H 1 3.023 0.020 . 2 . . . A 54 ASP HB2 . 19869 1 497 . 1 1 54 54 ASP HB3 H 1 2.847 0.020 . 2 . . . A 54 ASP HB3 . 19869 1 498 . 1 1 54 54 ASP CA C 13 52.280 0.400 . 1 . . . A 54 ASP CA . 19869 1 499 . 1 1 54 54 ASP CB C 13 41.330 0.400 . 1 . . . A 54 ASP CB . 19869 1 500 . 1 1 54 54 ASP N N 15 121.294 0.400 . 1 . . . A 54 ASP N . 19869 1 501 . 1 1 55 55 VAL H H 1 8.444 0.020 . 1 . . . A 55 VAL H . 19869 1 502 . 1 1 55 55 VAL HA H 1 4.277 0.020 . 1 . . . A 55 VAL HA . 19869 1 503 . 1 1 55 55 VAL HB H 1 2.031 0.020 . 1 . . . A 55 VAL HB . 19869 1 504 . 1 1 55 55 VAL CA C 13 62.510 0.400 . 1 . . . A 55 VAL CA . 19869 1 505 . 1 1 55 55 VAL CB C 13 29.900 0.400 . 1 . . . A 55 VAL CB . 19869 1 506 . 1 1 55 55 VAL N N 15 118.701 0.400 . 1 . . . A 55 VAL N . 19869 1 507 . 1 1 56 56 PRO HA H 1 3.981 0.020 . 1 . . . A 56 PRO HA . 19869 1 508 . 1 1 56 56 PRO HB2 H 1 2.033 0.020 . 2 . . . A 56 PRO HB2 . 19869 1 509 . 1 1 56 56 PRO HB3 H 1 2.033 0.020 . 2 . . . A 56 PRO HB3 . 19869 1 510 . 1 1 56 56 PRO HG2 H 1 2.238 0.020 . 2 . . . A 56 PRO HG2 . 19869 1 511 . 1 1 56 56 PRO HG3 H 1 1.832 0.020 . 2 . . . A 56 PRO HG3 . 19869 1 512 . 1 1 56 56 PRO HD2 H 1 3.873 0.020 . 2 . . . A 56 PRO HD2 . 19869 1 513 . 1 1 56 56 PRO HD3 H 1 3.603 0.020 . 2 . . . A 56 PRO HD3 . 19869 1 514 . 1 1 56 56 PRO CA C 13 66.840 0.400 . 1 . . . A 56 PRO CA . 19869 1 515 . 1 1 56 56 PRO CB C 13 30.875 0.400 . 1 . . . A 56 PRO CB . 19869 1 516 . 1 1 56 56 PRO CG C 13 29.030 0.400 . 1 . . . A 56 PRO CG . 19869 1 517 . 1 1 56 56 PRO CD C 13 49.201 0.400 . 1 . . . A 56 PRO CD . 19869 1 518 . 1 1 57 57 LYS H H 1 7.224 0.020 . 1 . . . A 57 LYS H . 19869 1 519 . 1 1 57 57 LYS HA H 1 4.213 0.020 . 1 . . . A 57 LYS HA . 19869 1 520 . 1 1 57 57 LYS HB2 H 1 1.952 0.020 . 2 . . . A 57 LYS HB2 . 19869 1 521 . 1 1 57 57 LYS HB3 H 1 1.886 0.020 . 2 . . . A 57 LYS HB3 . 19869 1 522 . 1 1 57 57 LYS HG2 H 1 1.430 0.020 . 2 . . . A 57 LYS HG2 . 19869 1 523 . 1 1 57 57 LYS HG3 H 1 1.430 0.020 . 2 . . . A 57 LYS HG3 . 19869 1 524 . 1 1 57 57 LYS HD2 H 1 1.562 0.020 . 2 . . . A 57 LYS HD2 . 19869 1 525 . 1 1 57 57 LYS HD3 H 1 1.544 0.020 . 2 . . . A 57 LYS HD3 . 19869 1 526 . 1 1 57 57 LYS HE2 H 1 2.908 0.020 . 2 . . . A 57 LYS HE2 . 19869 1 527 . 1 1 57 57 LYS HE3 H 1 2.885 0.020 . 2 . . . A 57 LYS HE3 . 19869 1 528 . 1 1 57 57 LYS CA C 13 60.027 0.400 . 1 . . . A 57 LYS CA . 19869 1 529 . 1 1 57 57 LYS CB C 13 33.700 0.400 . 1 . . . A 57 LYS CB . 19869 1 530 . 1 1 57 57 LYS CG C 13 24.895 0.400 . 1 . . . A 57 LYS CG . 19869 1 531 . 1 1 57 57 LYS CD C 13 29.090 0.400 . 1 . . . A 57 LYS CD . 19869 1 532 . 1 1 57 57 LYS CE C 13 42.210 0.400 . 1 . . . A 57 LYS CE . 19869 1 533 . 1 1 57 57 LYS N N 15 114.335 0.400 . 1 . . . A 57 LYS N . 19869 1 534 . 1 1 58 58 LEU H H 1 8.369 0.020 . 1 . . . A 58 LEU H . 19869 1 535 . 1 1 58 58 LEU HA H 1 3.714 0.020 . 1 . . . A 58 LEU HA . 19869 1 536 . 1 1 58 58 LEU HB2 H 1 1.564 0.020 . 2 . . . A 58 LEU HB2 . 19869 1 537 . 1 1 58 58 LEU HB3 H 1 1.304 0.020 . 2 . . . A 58 LEU HB3 . 19869 1 538 . 1 1 58 58 LEU HG H 1 1.328 0.020 . 1 . . . A 58 LEU HG . 19869 1 539 . 1 1 58 58 LEU HD11 H 1 0.828 0.020 . 2 . . . A 58 LEU HD11 . 19869 1 540 . 1 1 58 58 LEU HD12 H 1 0.828 0.020 . 2 . . . A 58 LEU HD12 . 19869 1 541 . 1 1 58 58 LEU HD13 H 1 0.828 0.020 . 2 . . . A 58 LEU HD13 . 19869 1 542 . 1 1 58 58 LEU HD21 H 1 0.607 0.020 . 2 . . . A 58 LEU HD21 . 19869 1 543 . 1 1 58 58 LEU HD22 H 1 0.607 0.020 . 2 . . . A 58 LEU HD22 . 19869 1 544 . 1 1 58 58 LEU HD23 H 1 0.607 0.020 . 2 . . . A 58 LEU HD23 . 19869 1 545 . 1 1 58 58 LEU CA C 13 57.900 0.400 . 1 . . . A 58 LEU CA . 19869 1 546 . 1 1 58 58 LEU CB C 13 42.966 0.400 . 1 . . . A 58 LEU CB . 19869 1 547 . 1 1 58 58 LEU CG C 13 26.858 0.400 . 1 . . . A 58 LEU CG . 19869 1 548 . 1 1 58 58 LEU CD1 C 13 23.010 0.400 . 1 . . . A 58 LEU CD1 . 19869 1 549 . 1 1 58 58 LEU CD2 C 13 24.090 0.400 . 1 . . . A 58 LEU CD2 . 19869 1 550 . 1 1 58 58 LEU N N 15 119.010 0.400 . 1 . . . A 58 LEU N . 19869 1 551 . 1 1 59 59 ALA H H 1 8.686 0.020 . 1 . . . A 59 ALA H . 19869 1 552 . 1 1 59 59 ALA HA H 1 3.720 0.020 . 1 . . . A 59 ALA HA . 19869 1 553 . 1 1 59 59 ALA HB1 H 1 1.287 0.020 . 1 . . . A 59 ALA HB1 . 19869 1 554 . 1 1 59 59 ALA HB2 H 1 1.287 0.020 . 1 . . . A 59 ALA HB2 . 19869 1 555 . 1 1 59 59 ALA HB3 H 1 1.287 0.020 . 1 . . . A 59 ALA HB3 . 19869 1 556 . 1 1 59 59 ALA CA C 13 55.510 0.400 . 1 . . . A 59 ALA CA . 19869 1 557 . 1 1 59 59 ALA CB C 13 19.020 0.400 . 1 . . . A 59 ALA CB . 19869 1 558 . 1 1 59 59 ALA N N 15 122.559 0.400 . 1 . . . A 59 ALA N . 19869 1 559 . 1 1 60 60 VAL H H 1 7.777 0.020 . 1 . . . A 60 VAL H . 19869 1 560 . 1 1 60 60 VAL HA H 1 3.251 0.020 . 1 . . . A 60 VAL HA . 19869 1 561 . 1 1 60 60 VAL HB H 1 1.692 0.020 . 1 . . . A 60 VAL HB . 19869 1 562 . 1 1 60 60 VAL HG11 H 1 0.818 0.020 . 2 . . . A 60 VAL HG11 . 19869 1 563 . 1 1 60 60 VAL HG12 H 1 0.818 0.020 . 2 . . . A 60 VAL HG12 . 19869 1 564 . 1 1 60 60 VAL HG13 H 1 0.818 0.020 . 2 . . . A 60 VAL HG13 . 19869 1 565 . 1 1 60 60 VAL HG21 H 1 0.042 0.020 . 2 . . . A 60 VAL HG21 . 19869 1 566 . 1 1 60 60 VAL HG22 H 1 0.042 0.020 . 2 . . . A 60 VAL HG22 . 19869 1 567 . 1 1 60 60 VAL HG23 H 1 0.042 0.020 . 2 . . . A 60 VAL HG23 . 19869 1 568 . 1 1 60 60 VAL CA C 13 67.397 0.400 . 1 . . . A 60 VAL CA . 19869 1 569 . 1 1 60 60 VAL CB C 13 31.340 0.400 . 1 . . . A 60 VAL CB . 19869 1 570 . 1 1 60 60 VAL CG1 C 13 23.229 0.400 . 1 . . . A 60 VAL CG1 . 19869 1 571 . 1 1 60 60 VAL CG2 C 13 21.330 0.400 . 1 . . . A 60 VAL CG2 . 19869 1 572 . 1 1 60 60 VAL N N 15 118.664 0.400 . 1 . . . A 60 VAL N . 19869 1 573 . 1 1 61 61 LEU H H 1 8.328 0.020 . 1 . . . A 61 LEU H . 19869 1 574 . 1 1 61 61 LEU HA H 1 3.553 0.020 . 1 . . . A 61 LEU HA . 19869 1 575 . 1 1 61 61 LEU HB2 H 1 1.323 0.020 . 2 . . . A 61 LEU HB2 . 19869 1 576 . 1 1 61 61 LEU HB3 H 1 0.821 0.020 . 2 . . . A 61 LEU HB3 . 19869 1 577 . 1 1 61 61 LEU HG H 1 1.576 0.020 . 1 . . . A 61 LEU HG . 19869 1 578 . 1 1 61 61 LEU HD11 H 1 1.589 0.020 . 2 . . . A 61 LEU HD11 . 19869 1 579 . 1 1 61 61 LEU HD12 H 1 1.589 0.020 . 2 . . . A 61 LEU HD12 . 19869 1 580 . 1 1 61 61 LEU HD13 H 1 1.589 0.020 . 2 . . . A 61 LEU HD13 . 19869 1 581 . 1 1 61 61 LEU HD21 H 1 0.694 0.020 . 2 . . . A 61 LEU HD21 . 19869 1 582 . 1 1 61 61 LEU HD22 H 1 0.694 0.020 . 2 . . . A 61 LEU HD22 . 19869 1 583 . 1 1 61 61 LEU HD23 H 1 0.694 0.020 . 2 . . . A 61 LEU HD23 . 19869 1 584 . 1 1 61 61 LEU CA C 13 58.150 0.400 . 1 . . . A 61 LEU CA . 19869 1 585 . 1 1 61 61 LEU CB C 13 40.340 0.400 . 1 . . . A 61 LEU CB . 19869 1 586 . 1 1 61 61 LEU CG C 13 27.390 0.400 . 1 . . . A 61 LEU CG . 19869 1 587 . 1 1 61 61 LEU CD1 C 13 26.810 0.400 . 1 . . . A 61 LEU CD1 . 19869 1 588 . 1 1 61 61 LEU CD2 C 13 23.027 0.400 . 1 . . . A 61 LEU CD2 . 19869 1 589 . 1 1 61 61 LEU N N 15 118.415 0.400 . 1 . . . A 61 LEU N . 19869 1 590 . 1 1 62 62 THR H H 1 7.787 0.020 . 1 . . . A 62 THR H . 19869 1 591 . 1 1 62 62 THR HA H 1 4.130 0.020 . 1 . . . A 62 THR HA . 19869 1 592 . 1 1 62 62 THR HB H 1 3.602 0.020 . 1 . . . A 62 THR HB . 19869 1 593 . 1 1 62 62 THR HG21 H 1 1.020 0.020 . 1 . . . A 62 THR HG21 . 19869 1 594 . 1 1 62 62 THR HG22 H 1 1.020 0.020 . 1 . . . A 62 THR HG22 . 19869 1 595 . 1 1 62 62 THR HG23 H 1 1.020 0.020 . 1 . . . A 62 THR HG23 . 19869 1 596 . 1 1 62 62 THR CA C 13 67.220 0.400 . 1 . . . A 62 THR CA . 19869 1 597 . 1 1 62 62 THR CB C 13 68.364 0.400 . 1 . . . A 62 THR CB . 19869 1 598 . 1 1 62 62 THR CG2 C 13 21.600 0.400 . 1 . . . A 62 THR CG2 . 19869 1 599 . 1 1 62 62 THR N N 15 117.416 0.400 . 1 . . . A 62 THR N . 19869 1 600 . 1 1 63 63 ALA H H 1 8.175 0.020 . 1 . . . A 63 ALA H . 19869 1 601 . 1 1 63 63 ALA HA H 1 3.746 0.020 . 1 . . . A 63 ALA HA . 19869 1 602 . 1 1 63 63 ALA HB1 H 1 1.408 0.020 . 1 . . . A 63 ALA HB1 . 19869 1 603 . 1 1 63 63 ALA HB2 H 1 1.408 0.020 . 1 . . . A 63 ALA HB2 . 19869 1 604 . 1 1 63 63 ALA HB3 H 1 1.408 0.020 . 1 . . . A 63 ALA HB3 . 19869 1 605 . 1 1 63 63 ALA CA C 13 56.243 0.400 . 1 . . . A 63 ALA CA . 19869 1 606 . 1 1 63 63 ALA CB C 13 17.121 0.400 . 1 . . . A 63 ALA CB . 19869 1 607 . 1 1 63 63 ALA N N 15 124.319 0.400 . 1 . . . A 63 ALA N . 19869 1 608 . 1 1 64 64 VAL H H 1 8.422 0.020 . 1 . . . A 64 VAL H . 19869 1 609 . 1 1 64 64 VAL HA H 1 3.324 0.020 . 1 . . . A 64 VAL HA . 19869 1 610 . 1 1 64 64 VAL HB H 1 2.132 0.020 . 1 . . . A 64 VAL HB . 19869 1 611 . 1 1 64 64 VAL HG11 H 1 0.784 0.020 . 2 . . . A 64 VAL HG11 . 19869 1 612 . 1 1 64 64 VAL HG12 H 1 0.784 0.020 . 2 . . . A 64 VAL HG12 . 19869 1 613 . 1 1 64 64 VAL HG13 H 1 0.784 0.020 . 2 . . . A 64 VAL HG13 . 19869 1 614 . 1 1 64 64 VAL HG21 H 1 0.971 0.020 . 2 . . . A 64 VAL HG21 . 19869 1 615 . 1 1 64 64 VAL HG22 H 1 0.971 0.020 . 2 . . . A 64 VAL HG22 . 19869 1 616 . 1 1 64 64 VAL HG23 H 1 0.971 0.020 . 2 . . . A 64 VAL HG23 . 19869 1 617 . 1 1 64 64 VAL CA C 13 66.543 0.400 . 1 . . . A 64 VAL CA . 19869 1 618 . 1 1 64 64 VAL CB C 13 31.340 0.400 . 1 . . . A 64 VAL CB . 19869 1 619 . 1 1 64 64 VAL CG1 C 13 21.528 0.400 . 1 . . . A 64 VAL CG1 . 19869 1 620 . 1 1 64 64 VAL CG2 C 13 24.681 0.400 . 1 . . . A 64 VAL CG2 . 19869 1 621 . 1 1 64 64 VAL N N 15 116.756 0.400 . 1 . . . A 64 VAL N . 19869 1 622 . 1 1 65 65 GLN H H 1 7.924 0.020 . 1 . . . A 65 GLN H . 19869 1 623 . 1 1 65 65 GLN HA H 1 4.015 0.020 . 1 . . . A 65 GLN HA . 19869 1 624 . 1 1 65 65 GLN HB2 H 1 2.304 0.020 . 2 . . . A 65 GLN HB2 . 19869 1 625 . 1 1 65 65 GLN HB3 H 1 2.250 0.020 . 2 . . . A 65 GLN HB3 . 19869 1 626 . 1 1 65 65 GLN HG2 H 1 2.415 0.020 . 2 . . . A 65 GLN HG2 . 19869 1 627 . 1 1 65 65 GLN HG3 H 1 2.211 0.020 . 2 . . . A 65 GLN HG3 . 19869 1 628 . 1 1 65 65 GLN CA C 13 59.290 0.400 . 1 . . . A 65 GLN CA . 19869 1 629 . 1 1 65 65 GLN CB C 13 28.450 0.400 . 1 . . . A 65 GLN CB . 19869 1 630 . 1 1 65 65 GLN CG C 13 33.780 0.400 . 1 . . . A 65 GLN CG . 19869 1 631 . 1 1 65 65 GLN N N 15 120.091 0.400 . 1 . . . A 65 GLN N . 19869 1 632 . 1 1 66 66 ILE H H 1 8.441 0.020 . 1 . . . A 66 ILE H . 19869 1 633 . 1 1 66 66 ILE HA H 1 3.526 0.020 . 1 . . . A 66 ILE HA . 19869 1 634 . 1 1 66 66 ILE HG21 H 1 0.811 0.020 . 1 . . . A 66 ILE HG21 . 19869 1 635 . 1 1 66 66 ILE HG22 H 1 0.811 0.020 . 1 . . . A 66 ILE HG22 . 19869 1 636 . 1 1 66 66 ILE HG23 H 1 0.811 0.020 . 1 . . . A 66 ILE HG23 . 19869 1 637 . 1 1 66 66 ILE HD11 H 1 0.653 0.020 . 1 . . . A 66 ILE HD11 . 19869 1 638 . 1 1 66 66 ILE HD12 H 1 0.653 0.020 . 1 . . . A 66 ILE HD12 . 19869 1 639 . 1 1 66 66 ILE HD13 H 1 0.653 0.020 . 1 . . . A 66 ILE HD13 . 19869 1 640 . 1 1 66 66 ILE CA C 13 65.305 0.400 . 1 . . . A 66 ILE CA . 19869 1 641 . 1 1 66 66 ILE CG2 C 13 15.411 0.400 . 1 . . . A 66 ILE CG2 . 19869 1 642 . 1 1 66 66 ILE CD1 C 13 10.590 0.400 . 1 . . . A 66 ILE CD1 . 19869 1 643 . 1 1 66 66 ILE N N 15 118.358 0.400 . 1 . . . A 66 ILE N . 19869 1 644 . 1 1 67 67 ALA H H 1 8.947 0.020 . 1 . . . A 67 ALA H . 19869 1 645 . 1 1 67 67 ALA HA H 1 4.025 0.020 . 1 . . . A 67 ALA HA . 19869 1 646 . 1 1 67 67 ALA HB1 H 1 1.568 0.020 . 1 . . . A 67 ALA HB1 . 19869 1 647 . 1 1 67 67 ALA HB2 H 1 1.568 0.020 . 1 . . . A 67 ALA HB2 . 19869 1 648 . 1 1 67 67 ALA HB3 H 1 1.568 0.020 . 1 . . . A 67 ALA HB3 . 19869 1 649 . 1 1 67 67 ALA CA C 13 55.501 0.400 . 1 . . . A 67 ALA CA . 19869 1 650 . 1 1 67 67 ALA CB C 13 19.668 0.400 . 1 . . . A 67 ALA CB . 19869 1 651 . 1 1 67 67 ALA N N 15 121.518 0.400 . 1 . . . A 67 ALA N . 19869 1 652 . 1 1 68 68 SER H H 1 8.492 0.020 . 1 . . . A 68 SER H . 19869 1 653 . 1 1 68 68 SER HA H 1 4.174 0.020 . 1 . . . A 68 SER HA . 19869 1 654 . 1 1 68 68 SER HB2 H 1 3.965 0.020 . 2 . . . A 68 SER HB2 . 19869 1 655 . 1 1 68 68 SER HB3 H 1 3.965 0.020 . 2 . . . A 68 SER HB3 . 19869 1 656 . 1 1 68 68 SER CA C 13 61.429 0.400 . 1 . . . A 68 SER CA . 19869 1 657 . 1 1 68 68 SER CB C 13 63.011 0.400 . 1 . . . A 68 SER CB . 19869 1 658 . 1 1 68 68 SER N N 15 112.523 0.400 . 1 . . . A 68 SER N . 19869 1 659 . 1 1 69 69 GLU H H 1 7.579 0.020 . 1 . . . A 69 GLU H . 19869 1 660 . 1 1 69 69 GLU HA H 1 3.998 0.020 . 1 . . . A 69 GLU HA . 19869 1 661 . 1 1 69 69 GLU HB2 H 1 2.044 0.020 . 2 . . . A 69 GLU HB2 . 19869 1 662 . 1 1 69 69 GLU HB3 H 1 1.818 0.020 . 2 . . . A 69 GLU HB3 . 19869 1 663 . 1 1 69 69 GLU HG2 H 1 2.530 0.020 . 2 . . . A 69 GLU HG2 . 19869 1 664 . 1 1 69 69 GLU HG3 H 1 2.351 0.020 . 2 . . . A 69 GLU HG3 . 19869 1 665 . 1 1 69 69 GLU CA C 13 59.181 0.400 . 1 . . . A 69 GLU CA . 19869 1 666 . 1 1 69 69 GLU CB C 13 28.760 0.400 . 1 . . . A 69 GLU CB . 19869 1 667 . 1 1 69 69 GLU CG C 13 36.110 0.400 . 1 . . . A 69 GLU CG . 19869 1 668 . 1 1 69 69 GLU N N 15 117.397 0.400 . 1 . . . A 69 GLU N . 19869 1 669 . 1 1 70 70 TYR H H 1 8.635 0.020 . 1 . . . A 70 TYR H . 19869 1 670 . 1 1 70 70 TYR HA H 1 4.352 0.020 . 1 . . . A 70 TYR HA . 19869 1 671 . 1 1 70 70 TYR HB2 H 1 3.175 0.020 . 2 . . . A 70 TYR HB2 . 19869 1 672 . 1 1 70 70 TYR HB3 H 1 2.934 0.020 . 2 . . . A 70 TYR HB3 . 19869 1 673 . 1 1 70 70 TYR HD1 H 1 6.909 0.020 . 3 . . . A 70 TYR HD1 . 19869 1 674 . 1 1 70 70 TYR HD2 H 1 6.909 0.020 . 3 . . . A 70 TYR HD2 . 19869 1 675 . 1 1 70 70 TYR HE1 H 1 6.871 0.020 . 3 . . . A 70 TYR HE1 . 19869 1 676 . 1 1 70 70 TYR HE2 H 1 6.871 0.020 . 3 . . . A 70 TYR HE2 . 19869 1 677 . 1 1 70 70 TYR CA C 13 60.530 0.400 . 1 . . . A 70 TYR CA . 19869 1 678 . 1 1 70 70 TYR CB C 13 38.480 0.400 . 1 . . . A 70 TYR CB . 19869 1 679 . 1 1 70 70 TYR CD2 C 13 132.225 0.400 . 1 . . . A 70 TYR CD2 . 19869 1 680 . 1 1 70 70 TYR CE2 C 13 118.700 0.400 . 1 . . . A 70 TYR CE2 . 19869 1 681 . 1 1 70 70 TYR N N 15 120.853 0.400 . 1 . . . A 70 TYR N . 19869 1 682 . 1 1 71 71 LEU H H 1 8.836 0.020 . 1 . . . A 71 LEU H . 19869 1 683 . 1 1 71 71 LEU HA H 1 3.554 0.020 . 1 . . . A 71 LEU HA . 19869 1 684 . 1 1 71 71 LEU HB2 H 1 1.689 0.020 . 2 . . . A 71 LEU HB2 . 19869 1 685 . 1 1 71 71 LEU HB3 H 1 1.423 0.020 . 2 . . . A 71 LEU HB3 . 19869 1 686 . 1 1 71 71 LEU HD11 H 1 0.443 0.020 . 2 . . . A 71 LEU HD11 . 19869 1 687 . 1 1 71 71 LEU HD12 H 1 0.443 0.020 . 2 . . . A 71 LEU HD12 . 19869 1 688 . 1 1 71 71 LEU HD13 H 1 0.443 0.020 . 2 . . . A 71 LEU HD13 . 19869 1 689 . 1 1 71 71 LEU HD21 H 1 0.342 0.020 . 2 . . . A 71 LEU HD21 . 19869 1 690 . 1 1 71 71 LEU HD22 H 1 0.342 0.020 . 2 . . . A 71 LEU HD22 . 19869 1 691 . 1 1 71 71 LEU HD23 H 1 0.342 0.020 . 2 . . . A 71 LEU HD23 . 19869 1 692 . 1 1 71 71 LEU CA C 13 58.368 0.400 . 1 . . . A 71 LEU CA . 19869 1 693 . 1 1 71 71 LEU CB C 13 40.564 0.400 . 1 . . . A 71 LEU CB . 19869 1 694 . 1 1 71 71 LEU CD1 C 13 24.814 0.400 . 1 . . . A 71 LEU CD1 . 19869 1 695 . 1 1 71 71 LEU CD2 C 13 22.014 0.400 . 1 . . . A 71 LEU CD2 . 19869 1 696 . 1 1 71 71 LEU N N 15 119.400 0.400 . 1 . . . A 71 LEU N . 19869 1 697 . 1 1 72 72 LYS H H 1 7.957 0.020 . 1 . . . A 72 LYS H . 19869 1 698 . 1 1 72 72 LYS HA H 1 4.095 0.020 . 1 . . . A 72 LYS HA . 19869 1 699 . 1 1 72 72 LYS HB2 H 1 1.828 0.020 . 2 . . . A 72 LYS HB2 . 19869 1 700 . 1 1 72 72 LYS HB3 H 1 1.828 0.020 . 2 . . . A 72 LYS HB3 . 19869 1 701 . 1 1 72 72 LYS HG2 H 1 1.289 0.020 . 2 . . . A 72 LYS HG2 . 19869 1 702 . 1 1 72 72 LYS HG3 H 1 1.640 0.020 . 2 . . . A 72 LYS HG3 . 19869 1 703 . 1 1 72 72 LYS HD2 H 1 1.464 0.020 . 2 . . . A 72 LYS HD2 . 19869 1 704 . 1 1 72 72 LYS HD3 H 1 1.464 0.020 . 2 . . . A 72 LYS HD3 . 19869 1 705 . 1 1 72 72 LYS HE2 H 1 2.990 0.020 . 2 . . . A 72 LYS HE2 . 19869 1 706 . 1 1 72 72 LYS HE3 H 1 2.990 0.020 . 2 . . . A 72 LYS HE3 . 19869 1 707 . 1 1 72 72 LYS CA C 13 59.780 0.400 . 1 . . . A 72 LYS CA . 19869 1 708 . 1 1 72 72 LYS CB C 13 32.640 0.400 . 1 . . . A 72 LYS CB . 19869 1 709 . 1 1 72 72 LYS CG C 13 24.990 0.400 . 1 . . . A 72 LYS CG . 19869 1 710 . 1 1 72 72 LYS CD C 13 29.350 0.400 . 1 . . . A 72 LYS CD . 19869 1 711 . 1 1 72 72 LYS CE C 13 42.104 0.400 . 1 . . . A 72 LYS CE . 19869 1 712 . 1 1 72 72 LYS N N 15 119.127 0.400 . 1 . . . A 72 LYS N . 19869 1 713 . 1 1 73 73 LEU H H 1 8.033 0.020 . 1 . . . A 73 LEU H . 19869 1 714 . 1 1 73 73 LEU HA H 1 4.127 0.020 . 1 . . . A 73 LEU HA . 19869 1 715 . 1 1 73 73 LEU HB3 H 1 1.714 0.020 . 2 . . . A 73 LEU HB3 . 19869 1 716 . 1 1 73 73 LEU HG H 1 1.382 0.020 . 1 . . . A 73 LEU HG . 19869 1 717 . 1 1 73 73 LEU HD11 H 1 0.825 0.020 . 2 . . . A 73 LEU HD11 . 19869 1 718 . 1 1 73 73 LEU HD12 H 1 0.825 0.020 . 2 . . . A 73 LEU HD12 . 19869 1 719 . 1 1 73 73 LEU HD13 H 1 0.825 0.020 . 2 . . . A 73 LEU HD13 . 19869 1 720 . 1 1 73 73 LEU HD21 H 1 0.460 0.020 . 2 . . . A 73 LEU HD21 . 19869 1 721 . 1 1 73 73 LEU HD22 H 1 0.460 0.020 . 2 . . . A 73 LEU HD22 . 19869 1 722 . 1 1 73 73 LEU HD23 H 1 0.460 0.020 . 2 . . . A 73 LEU HD23 . 19869 1 723 . 1 1 73 73 LEU CA C 13 57.340 0.400 . 1 . . . A 73 LEU CA . 19869 1 724 . 1 1 73 73 LEU CB C 13 41.020 0.400 . 1 . . . A 73 LEU CB . 19869 1 725 . 1 1 73 73 LEU CG C 13 26.810 0.400 . 1 . . . A 73 LEU CG . 19869 1 726 . 1 1 73 73 LEU CD1 C 13 25.945 0.400 . 1 . . . A 73 LEU CD1 . 19869 1 727 . 1 1 73 73 LEU CD2 C 13 22.120 0.400 . 1 . . . A 73 LEU CD2 . 19869 1 728 . 1 1 73 73 LEU N N 15 122.487 0.400 . 1 . . . A 73 LEU N . 19869 1 729 . 1 1 74 74 LYS H H 1 8.750 0.020 . 1 . . . A 74 LYS H . 19869 1 730 . 1 1 74 74 LYS HA H 1 3.759 0.020 . 1 . . . A 74 LYS HA . 19869 1 731 . 1 1 74 74 LYS HB2 H 1 1.655 0.020 . 2 . . . A 74 LYS HB2 . 19869 1 732 . 1 1 74 74 LYS HB3 H 1 1.431 0.020 . 2 . . . A 74 LYS HB3 . 19869 1 733 . 1 1 74 74 LYS HG2 H 1 1.200 0.020 . 2 . . . A 74 LYS HG2 . 19869 1 734 . 1 1 74 74 LYS HG3 H 1 1.200 0.020 . 2 . . . A 74 LYS HG3 . 19869 1 735 . 1 1 74 74 LYS HD2 H 1 1.352 0.020 . 2 . . . A 74 LYS HD2 . 19869 1 736 . 1 1 74 74 LYS HD3 H 1 1.352 0.020 . 2 . . . A 74 LYS HD3 . 19869 1 737 . 1 1 74 74 LYS HE2 H 1 2.796 0.020 . 2 . . . A 74 LYS HE2 . 19869 1 738 . 1 1 74 74 LYS HE3 H 1 2.796 0.020 . 2 . . . A 74 LYS HE3 . 19869 1 739 . 1 1 74 74 LYS CA C 13 60.700 0.400 . 1 . . . A 74 LYS CA . 19869 1 740 . 1 1 74 74 LYS CB C 13 32.140 0.400 . 1 . . . A 74 LYS CB . 19869 1 741 . 1 1 74 74 LYS CG C 13 24.910 0.400 . 1 . . . A 74 LYS CG . 19869 1 742 . 1 1 74 74 LYS CD C 13 29.530 0.400 . 1 . . . A 74 LYS CD . 19869 1 743 . 1 1 74 74 LYS CE C 13 41.660 0.400 . 1 . . . A 74 LYS CE . 19869 1 744 . 1 1 74 74 LYS N N 15 120.309 0.400 . 1 . . . A 74 LYS N . 19869 1 745 . 1 1 75 75 GLU H H 1 7.274 0.020 . 1 . . . A 75 GLU H . 19869 1 746 . 1 1 75 75 GLU HA H 1 4.098 0.020 . 1 . . . A 75 GLU HA . 19869 1 747 . 1 1 75 75 GLU HB2 H 1 2.134 0.020 . 2 . . . A 75 GLU HB2 . 19869 1 748 . 1 1 75 75 GLU HB3 H 1 2.134 0.020 . 2 . . . A 75 GLU HB3 . 19869 1 749 . 1 1 75 75 GLU HG2 H 1 2.379 0.020 . 2 . . . A 75 GLU HG2 . 19869 1 750 . 1 1 75 75 GLU HG3 H 1 2.379 0.020 . 2 . . . A 75 GLU HG3 . 19869 1 751 . 1 1 75 75 GLU CA C 13 59.330 0.400 . 1 . . . A 75 GLU CA . 19869 1 752 . 1 1 75 75 GLU CB C 13 29.500 0.400 . 1 . . . A 75 GLU CB . 19869 1 753 . 1 1 75 75 GLU CG C 13 36.110 0.400 . 1 . . . A 75 GLU CG . 19869 1 754 . 1 1 75 75 GLU N N 15 118.296 0.400 . 1 . . . A 75 GLU N . 19869 1 755 . 1 1 76 76 GLU H H 1 7.756 0.020 . 1 . . . A 76 GLU H . 19869 1 756 . 1 1 76 76 GLU HA H 1 4.152 0.020 . 1 . . . A 76 GLU HA . 19869 1 757 . 1 1 76 76 GLU HB2 H 1 2.146 0.020 . 2 . . . A 76 GLU HB2 . 19869 1 758 . 1 1 76 76 GLU HB3 H 1 2.095 0.020 . 2 . . . A 76 GLU HB3 . 19869 1 759 . 1 1 76 76 GLU HG2 H 1 2.390 0.020 . 2 . . . A 76 GLU HG2 . 19869 1 760 . 1 1 76 76 GLU HG3 H 1 2.245 0.020 . 2 . . . A 76 GLU HG3 . 19869 1 761 . 1 1 76 76 GLU CA C 13 59.082 0.400 . 1 . . . A 76 GLU CA . 19869 1 762 . 1 1 76 76 GLU CB C 13 29.235 0.400 . 1 . . . A 76 GLU CB . 19869 1 763 . 1 1 76 76 GLU CG C 13 36.135 0.400 . 1 . . . A 76 GLU CG . 19869 1 764 . 1 1 76 76 GLU N N 15 120.788 0.400 . 1 . . . A 76 GLU N . 19869 1 765 . 1 1 77 77 TYR H H 1 9.401 0.020 . 1 . . . A 77 TYR H . 19869 1 766 . 1 1 77 77 TYR HA H 1 4.210 0.020 . 1 . . . A 77 TYR HA . 19869 1 767 . 1 1 77 77 TYR HB2 H 1 3.267 0.020 . 2 . . . A 77 TYR HB2 . 19869 1 768 . 1 1 77 77 TYR HB3 H 1 2.988 0.020 . 2 . . . A 77 TYR HB3 . 19869 1 769 . 1 1 77 77 TYR HD1 H 1 7.085 0.020 . 3 . . . A 77 TYR HD1 . 19869 1 770 . 1 1 77 77 TYR HD2 H 1 7.085 0.020 . 3 . . . A 77 TYR HD2 . 19869 1 771 . 1 1 77 77 TYR HE1 H 1 6.755 0.020 . 3 . . . A 77 TYR HE1 . 19869 1 772 . 1 1 77 77 TYR HE2 H 1 6.755 0.020 . 3 . . . A 77 TYR HE2 . 19869 1 773 . 1 1 77 77 TYR CA C 13 61.704 0.400 . 1 . . . A 77 TYR CA . 19869 1 774 . 1 1 77 77 TYR CB C 13 38.889 0.400 . 1 . . . A 77 TYR CB . 19869 1 775 . 1 1 77 77 TYR CD2 C 13 132.859 0.400 . 1 . . . A 77 TYR CD2 . 19869 1 776 . 1 1 77 77 TYR CE2 C 13 118.748 0.400 . 1 . . . A 77 TYR CE2 . 19869 1 777 . 1 1 77 77 TYR N N 15 121.399 0.400 . 1 . . . A 77 TYR N . 19869 1 778 . 1 1 78 78 GLN H H 1 8.169 0.020 . 1 . . . A 78 GLN H . 19869 1 779 . 1 1 78 78 GLN HA H 1 3.784 0.020 . 1 . . . A 78 GLN HA . 19869 1 780 . 1 1 78 78 GLN HB2 H 1 2.260 0.020 . 2 . . . A 78 GLN HB2 . 19869 1 781 . 1 1 78 78 GLN HB3 H 1 2.157 0.020 . 2 . . . A 78 GLN HB3 . 19869 1 782 . 1 1 78 78 GLN HG2 H 1 2.568 0.020 . 2 . . . A 78 GLN HG2 . 19869 1 783 . 1 1 78 78 GLN HG3 H 1 2.495 0.020 . 2 . . . A 78 GLN HG3 . 19869 1 784 . 1 1 78 78 GLN CA C 13 58.915 0.400 . 1 . . . A 78 GLN CA . 19869 1 785 . 1 1 78 78 GLN CB C 13 27.880 0.400 . 1 . . . A 78 GLN CB . 19869 1 786 . 1 1 78 78 GLN CG C 13 33.780 0.400 . 1 . . . A 78 GLN CG . 19869 1 787 . 1 1 78 78 GLN N N 15 118.068 0.400 . 1 . . . A 78 GLN N . 19869 1 788 . 1 1 79 79 ARG H H 1 7.814 0.020 . 1 . . . A 79 ARG H . 19869 1 789 . 1 1 79 79 ARG HA H 1 4.045 0.020 . 1 . . . A 79 ARG HA . 19869 1 790 . 1 1 79 79 ARG HB2 H 1 1.957 0.020 . 2 . . . A 79 ARG HB2 . 19869 1 791 . 1 1 79 79 ARG HB3 H 1 2.104 0.020 . 2 . . . A 79 ARG HB3 . 19869 1 792 . 1 1 79 79 ARG HG2 H 1 1.797 0.020 . 2 . . . A 79 ARG HG2 . 19869 1 793 . 1 1 79 79 ARG HG3 H 1 1.630 0.020 . 2 . . . A 79 ARG HG3 . 19869 1 794 . 1 1 79 79 ARG HD2 H 1 3.222 0.020 . 2 . . . A 79 ARG HD2 . 19869 1 795 . 1 1 79 79 ARG HD3 H 1 3.241 0.020 . 2 . . . A 79 ARG HD3 . 19869 1 796 . 1 1 79 79 ARG CA C 13 59.310 0.400 . 1 . . . A 79 ARG CA . 19869 1 797 . 1 1 79 79 ARG CB C 13 30.220 0.400 . 1 . . . A 79 ARG CB . 19869 1 798 . 1 1 79 79 ARG CG C 13 27.230 0.400 . 1 . . . A 79 ARG CG . 19869 1 799 . 1 1 79 79 ARG CD C 13 43.160 0.400 . 1 . . . A 79 ARG CD . 19869 1 800 . 1 1 79 79 ARG N N 15 118.446 0.400 . 1 . . . A 79 ARG N . 19869 1 801 . 1 1 80 80 LEU H H 1 7.989 0.020 . 1 . . . A 80 LEU H . 19869 1 802 . 1 1 80 80 LEU HA H 1 4.130 0.020 . 1 . . . A 80 LEU HA . 19869 1 803 . 1 1 80 80 LEU HB2 H 1 1.745 0.020 . 2 . . . A 80 LEU HB2 . 19869 1 804 . 1 1 80 80 LEU HB3 H 1 1.745 0.020 . 2 . . . A 80 LEU HB3 . 19869 1 805 . 1 1 80 80 LEU HG H 1 1.542 0.020 . 1 . . . A 80 LEU HG . 19869 1 806 . 1 1 80 80 LEU HD11 H 1 0.857 0.020 . 2 . . . A 80 LEU HD11 . 19869 1 807 . 1 1 80 80 LEU HD12 H 1 0.857 0.020 . 2 . . . A 80 LEU HD12 . 19869 1 808 . 1 1 80 80 LEU HD13 H 1 0.857 0.020 . 2 . . . A 80 LEU HD13 . 19869 1 809 . 1 1 80 80 LEU HD21 H 1 0.671 0.020 . 2 . . . A 80 LEU HD21 . 19869 1 810 . 1 1 80 80 LEU HD22 H 1 0.671 0.020 . 2 . . . A 80 LEU HD22 . 19869 1 811 . 1 1 80 80 LEU HD23 H 1 0.671 0.020 . 2 . . . A 80 LEU HD23 . 19869 1 812 . 1 1 80 80 LEU CA C 13 57.689 0.400 . 1 . . . A 80 LEU CA . 19869 1 813 . 1 1 80 80 LEU CB C 13 41.670 0.400 . 1 . . . A 80 LEU CB . 19869 1 814 . 1 1 80 80 LEU CG C 13 26.880 0.400 . 1 . . . A 80 LEU CG . 19869 1 815 . 1 1 80 80 LEU CD1 C 13 24.498 0.400 . 1 . . . A 80 LEU CD1 . 19869 1 816 . 1 1 80 80 LEU CD2 C 13 25.725 0.400 . 1 . . . A 80 LEU CD2 . 19869 1 817 . 1 1 80 80 LEU N N 15 121.039 0.400 . 1 . . . A 80 LEU N . 19869 1 818 . 1 1 81 81 ARG H H 1 8.241 0.020 . 1 . . . A 81 ARG H . 19869 1 819 . 1 1 81 81 ARG HA H 1 3.717 0.020 . 1 . . . A 81 ARG HA . 19869 1 820 . 1 1 81 81 ARG HB2 H 1 1.700 0.020 . 2 . . . A 81 ARG HB2 . 19869 1 821 . 1 1 81 81 ARG HB3 H 1 1.559 0.020 . 2 . . . A 81 ARG HB3 . 19869 1 822 . 1 1 81 81 ARG HG2 H 1 1.398 0.020 . 2 . . . A 81 ARG HG2 . 19869 1 823 . 1 1 81 81 ARG HG3 H 1 1.319 0.020 . 2 . . . A 81 ARG HG3 . 19869 1 824 . 1 1 81 81 ARG HD2 H 1 2.970 0.020 . 2 . . . A 81 ARG HD2 . 19869 1 825 . 1 1 81 81 ARG HD3 H 1 2.926 0.020 . 2 . . . A 81 ARG HD3 . 19869 1 826 . 1 1 81 81 ARG CA C 13 59.030 0.400 . 1 . . . A 81 ARG CA . 19869 1 827 . 1 1 81 81 ARG CB C 13 29.500 0.400 . 1 . . . A 81 ARG CB . 19869 1 828 . 1 1 81 81 ARG CG C 13 27.420 0.400 . 1 . . . A 81 ARG CG . 19869 1 829 . 1 1 81 81 ARG CD C 13 43.290 0.400 . 1 . . . A 81 ARG CD . 19869 1 830 . 1 1 81 81 ARG N N 15 117.498 0.400 . 1 . . . A 81 ARG N . 19869 1 831 . 1 1 82 82 GLU H H 1 7.671 0.020 . 1 . . . A 82 GLU H . 19869 1 832 . 1 1 82 82 GLU HA H 1 4.060 0.020 . 1 . . . A 82 GLU HA . 19869 1 833 . 1 1 82 82 GLU HB2 H 1 2.111 0.020 . 2 . . . A 82 GLU HB2 . 19869 1 834 . 1 1 82 82 GLU HB3 H 1 2.111 0.020 . 2 . . . A 82 GLU HB3 . 19869 1 835 . 1 1 82 82 GLU HG2 H 1 2.474 0.020 . 2 . . . A 82 GLU HG2 . 19869 1 836 . 1 1 82 82 GLU HG3 H 1 2.424 0.020 . 2 . . . A 82 GLU HG3 . 19869 1 837 . 1 1 82 82 GLU CA C 13 58.205 0.400 . 1 . . . A 82 GLU CA . 19869 1 838 . 1 1 82 82 GLU CB C 13 29.539 0.400 . 1 . . . A 82 GLU CB . 19869 1 839 . 1 1 82 82 GLU CG C 13 36.392 0.400 . 1 . . . A 82 GLU CG . 19869 1 840 . 1 1 82 82 GLU N N 15 117.300 0.400 . 1 . . . A 82 GLU N . 19869 1 841 . 1 1 83 83 GLN H H 1 7.745 0.020 . 1 . . . A 83 GLN H . 19869 1 842 . 1 1 83 83 GLN HA H 1 4.192 0.020 . 1 . . . A 83 GLN HA . 19869 1 843 . 1 1 83 83 GLN HB2 H 1 2.231 0.020 . 2 . . . A 83 GLN HB2 . 19869 1 844 . 1 1 83 83 GLN HB3 H 1 2.206 0.020 . 2 . . . A 83 GLN HB3 . 19869 1 845 . 1 1 83 83 GLN HG2 H 1 2.518 0.020 . 2 . . . A 83 GLN HG2 . 19869 1 846 . 1 1 83 83 GLN HG3 H 1 2.429 0.020 . 2 . . . A 83 GLN HG3 . 19869 1 847 . 1 1 83 83 GLN CA C 13 56.940 0.400 . 1 . . . A 83 GLN CA . 19869 1 848 . 1 1 83 83 GLN CB C 13 29.110 0.400 . 1 . . . A 83 GLN CB . 19869 1 849 . 1 1 83 83 GLN CG C 13 33.939 0.400 . 1 . . . A 83 GLN CG . 19869 1 850 . 1 1 83 83 GLN N N 15 117.205 0.400 . 1 . . . A 83 GLN N . 19869 1 851 . 1 1 84 84 LEU H H 1 7.500 0.020 . 1 . . . A 84 LEU H . 19869 1 852 . 1 1 84 84 LEU HA H 1 4.301 0.020 . 1 . . . A 84 LEU HA . 19869 1 853 . 1 1 84 84 LEU HB2 H 1 1.639 0.020 . 2 . . . A 84 LEU HB2 . 19869 1 854 . 1 1 84 84 LEU HB3 H 1 1.639 0.020 . 2 . . . A 84 LEU HB3 . 19869 1 855 . 1 1 84 84 LEU HD11 H 1 0.826 0.020 . 2 . . . A 84 LEU HD11 . 19869 1 856 . 1 1 84 84 LEU HD12 H 1 0.826 0.020 . 2 . . . A 84 LEU HD12 . 19869 1 857 . 1 1 84 84 LEU HD13 H 1 0.826 0.020 . 2 . . . A 84 LEU HD13 . 19869 1 858 . 1 1 84 84 LEU HD21 H 1 0.851 0.020 . 2 . . . A 84 LEU HD21 . 19869 1 859 . 1 1 84 84 LEU HD22 H 1 0.851 0.020 . 2 . . . A 84 LEU HD22 . 19869 1 860 . 1 1 84 84 LEU HD23 H 1 0.851 0.020 . 2 . . . A 84 LEU HD23 . 19869 1 861 . 1 1 84 84 LEU CA C 13 55.180 0.400 . 1 . . . A 84 LEU CA . 19869 1 862 . 1 1 84 84 LEU CB C 13 42.190 0.400 . 1 . . . A 84 LEU CB . 19869 1 863 . 1 1 84 84 LEU CD1 C 13 25.650 0.400 . 1 . . . A 84 LEU CD1 . 19869 1 864 . 1 1 84 84 LEU CD2 C 13 23.220 0.400 . 1 . . . A 84 LEU CD2 . 19869 1 865 . 1 1 84 84 LEU N N 15 120.465 0.400 . 1 . . . A 84 LEU N . 19869 1 866 . 1 1 85 85 LYS H H 1 7.525 0.020 . 1 . . . A 85 LYS H . 19869 1 867 . 1 1 85 85 LYS HA H 1 4.063 0.020 . 1 . . . A 85 LYS HA . 19869 1 868 . 1 1 85 85 LYS HB2 H 1 1.750 0.020 . 2 . . . A 85 LYS HB2 . 19869 1 869 . 1 1 85 85 LYS HB3 H 1 1.820 0.020 . 2 . . . A 85 LYS HB3 . 19869 1 870 . 1 1 85 85 LYS HG2 H 1 1.411 0.020 . 2 . . . A 85 LYS HG2 . 19869 1 871 . 1 1 85 85 LYS HG3 H 1 1.411 0.020 . 2 . . . A 85 LYS HG3 . 19869 1 872 . 1 1 85 85 LYS HD2 H 1 1.659 0.020 . 2 . . . A 85 LYS HD2 . 19869 1 873 . 1 1 85 85 LYS HD3 H 1 1.659 0.020 . 2 . . . A 85 LYS HD3 . 19869 1 874 . 1 1 85 85 LYS HE2 H 1 2.992 0.020 . 2 . . . A 85 LYS HE2 . 19869 1 875 . 1 1 85 85 LYS HE3 H 1 2.992 0.020 . 2 . . . A 85 LYS HE3 . 19869 1 876 . 1 1 85 85 LYS CA C 13 57.499 0.400 . 1 . . . A 85 LYS CA . 19869 1 877 . 1 1 85 85 LYS CB C 13 33.640 0.400 . 1 . . . A 85 LYS CB . 19869 1 878 . 1 1 85 85 LYS CG C 13 24.490 0.400 . 1 . . . A 85 LYS CG . 19869 1 879 . 1 1 85 85 LYS CD C 13 26.760 0.400 . 1 . . . A 85 LYS CD . 19869 1 880 . 1 1 85 85 LYS CE C 13 42.200 0.400 . 1 . . . A 85 LYS CE . 19869 1 881 . 1 1 85 85 LYS N N 15 126.524 0.400 . 1 . . . A 85 LYS N . 19869 1 882 . 1 1 86 86 LYS HA H 1 4.170 0.020 . 1 . . . A 86 LYS HA . 19869 1 883 . 1 1 86 86 LYS HB2 H 1 1.705 0.020 . 2 . . . A 86 LYS HB2 . 19869 1 884 . 1 1 86 86 LYS HB3 H 1 1.705 0.020 . 2 . . . A 86 LYS HB3 . 19869 1 885 . 1 1 86 86 LYS HG2 H 1 1.430 0.020 . 2 . . . A 86 LYS HG2 . 19869 1 886 . 1 1 86 86 LYS HG3 H 1 1.430 0.020 . 2 . . . A 86 LYS HG3 . 19869 1 887 . 1 1 86 86 LYS HD2 H 1 1.686 0.020 . 2 . . . A 86 LYS HD2 . 19869 1 888 . 1 1 86 86 LYS HD3 H 1 1.686 0.020 . 2 . . . A 86 LYS HD3 . 19869 1 889 . 1 1 86 86 LYS HE2 H 1 2.894 0.020 . 2 . . . A 86 LYS HE2 . 19869 1 890 . 1 1 86 86 LYS HE3 H 1 2.894 0.020 . 2 . . . A 86 LYS HE3 . 19869 1 891 . 1 1 86 86 LYS CA C 13 57.570 0.400 . 1 . . . A 86 LYS CA . 19869 1 892 . 1 1 86 86 LYS CB C 13 33.900 0.400 . 1 . . . A 86 LYS CB . 19869 1 893 . 1 1 86 86 LYS CG C 13 24.880 0.400 . 1 . . . A 86 LYS CG . 19869 1 894 . 1 1 86 86 LYS CD C 13 29.000 0.400 . 1 . . . A 86 LYS CD . 19869 1 895 . 1 1 86 86 LYS CE C 13 42.000 0.400 . 1 . . . A 86 LYS CE . 19869 1 stop_ save_