data_19693 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19693 _Entry.Title ; Solution structure of oxidized dimeric form of human defensin 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-19 _Entry.Accession_date 2013-12-19 _Entry.Last_release_date 2014-09-08 _Entry.Original_release_date 2014-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Joshua Ziarek . J. . 19693 2 Andrew Wommack . J. . 19693 3 Scott Robson . A. . 19693 4 Gerhard Wagner . . . 19693 5 Elizabeth Nolan . M. . 19693 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' . 19693 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'antimicrobial peptide' . 19693 'cysteine knot' . 19693 'human defensin 5' . 19693 'solution NMR' . 19693 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19693 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 394 19693 '13C chemical shifts' 236 19693 '15N chemical shifts' 62 19693 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 . . 2014-09-08 2013-12-19 original author . 19693 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18705 'Antimicrobial Peptide Human Defensin 5' 19693 PDB 1ZMP . 19693 PDB 2LXZ . 19693 PDB 2mit 'BMRB Entry Tracking System' 19693 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19693 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25181039 _Citation.Full_citation . _Citation.Title 'Discovery and Characterization of a Disulfide-Locked C2-Symmetric Defensin Peptide' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _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 2014 _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 Joshua Ziarek . J. . 19693 1 2 Andrew Wommack . J. . 19693 1 3 Scott Robson . A. . 19693 1 4 Gerhard Wagner . . . 19693 1 5 Elizabeth Nolan . M. . 19693 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19693 _Assembly.ID 1 _Assembly.Name 'oxidized dimeric form of human defensin 5' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human_defensin_5 1' 1 $entity A . yes native no no 1 . . 19693 1 2 'human_defensin_5 2' 1 $entity B . yes native no no 1 . . 19693 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . 19693 1 2 disulfide single . 1 . 1 CYS 5 5 SG . 2 . 1 CYS 20 20 SG . . . . . . . . . . 19693 1 3 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 30 30 SG . . . . . . . . . . 19693 1 4 disulfide single . 1 . 1 CYS 20 20 SG . 2 . 1 CYS 5 5 SG . . . . . . . . . . 19693 1 5 disulfide single . 2 . 1 CYS 3 3 SG . 2 . 1 CYS 31 31 SG . . . . . . . . . . 19693 1 6 disulfide single . 2 . 1 CYS 10 10 SG . 2 . 1 CYS 30 30 SG . . . . . . . . . . 19693 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19693 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; ATCYCRTGRCATRESLSGVC EISGRLYRLCCR ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3594.227 _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 BMRB 18705 . entity . . . . . 100.00 32 100.00 100.00 2.30e-11 . . . . 19693 1 2 no PDB 1ZMP . "Crystal Structure Of Human Defensin-5" . . . . . 100.00 32 100.00 100.00 2.30e-11 . . . . 19693 1 3 no PDB 2LXZ . "Solution Structure Of The Antimicrobial Peptide Human Defensin 5" . . . . . 100.00 32 100.00 100.00 2.30e-11 . . . . 19693 1 4 no PDB 2MIT . "Solution Structure Of Oxidized Dimeric Form Of Human Defensin 5" . . . . . 100.00 32 100.00 100.00 2.30e-11 . . . . 19693 1 5 no EMBL CCD28566 . "human alpha-defensin 5 proform [synthetic construct]" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 1 6 no GB AAA35754 . "defensin 5 [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 1 7 no GB AAH69690 . "Defensin, alpha 5, Paneth cell-specific [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 1 8 no GB AAI07080 . "Defensin, alpha 5, Paneth cell-specific [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 1 9 no GB AAT68886 . "defensin, alpha 5, Paneth cell-specific [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 1 10 no GB ADQ32910 . "defensin, alpha 5, Paneth cell-specific [synthetic construct]" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 1 11 no REF NP_066290 . "defensin-5 preproprotein [Homo sapiens]" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 1 12 no SP Q01523 . "RecName: Full=Defensin-5; AltName: Full=Defensin, alpha 5; AltName: Full=HD5(20-94); Contains: RecName: Full=HD5(23-94); Contai" . . . . . 100.00 94 100.00 100.00 1.47e-12 . . . . 19693 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 . ALA . 19693 1 2 . THR . 19693 1 3 . CYS . 19693 1 4 . TYR . 19693 1 5 . CYS . 19693 1 6 . ARG . 19693 1 7 . THR . 19693 1 8 . GLY . 19693 1 9 . ARG . 19693 1 10 . CYS . 19693 1 11 . ALA . 19693 1 12 . THR . 19693 1 13 . ARG . 19693 1 14 . GLU . 19693 1 15 . SER . 19693 1 16 . LEU . 19693 1 17 . SER . 19693 1 18 . GLY . 19693 1 19 . VAL . 19693 1 20 . CYS . 19693 1 21 . GLU . 19693 1 22 . ILE . 19693 1 23 . SER . 19693 1 24 . GLY . 19693 1 25 . ARG . 19693 1 26 . LEU . 19693 1 27 . TYR . 19693 1 28 . ARG . 19693 1 29 . LEU . 19693 1 30 . CYS . 19693 1 31 . CYS . 19693 1 32 . ARG . 19693 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 . ALA 1 1 19693 1 . THR 2 2 19693 1 . CYS 3 3 19693 1 . TYR 4 4 19693 1 . CYS 5 5 19693 1 . ARG 6 6 19693 1 . THR 7 7 19693 1 . GLY 8 8 19693 1 . ARG 9 9 19693 1 . CYS 10 10 19693 1 . ALA 11 11 19693 1 . THR 12 12 19693 1 . ARG 13 13 19693 1 . GLU 14 14 19693 1 . SER 15 15 19693 1 . LEU 16 16 19693 1 . SER 17 17 19693 1 . GLY 18 18 19693 1 . VAL 19 19 19693 1 . CYS 20 20 19693 1 . GLU 21 21 19693 1 . ILE 22 22 19693 1 . SER 23 23 19693 1 . GLY 24 24 19693 1 . ARG 25 25 19693 1 . LEU 26 26 19693 1 . TYR 27 27 19693 1 . ARG 28 28 19693 1 . LEU 29 29 19693 1 . CYS 30 30 19693 1 . CYS 31 31 19693 1 . ARG 32 32 19693 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 19693 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'DEFA5, DEF5' . . . . 19693 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 19693 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PJ201-TEV-HD5oxidized . . . . . . 19693 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19693 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HD5 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19693 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19693 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19693 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19693 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Mixed dimer. [U-15N,13-C]-HD5 was mixed with unlabeled-HD5.' _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 HD5 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 19693 2 2 HD5 'natural abundance' . . 1 $entity . . 0.3 . . mM . . . . 19693 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19693 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19693 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19693 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19693 1 pH 4 . pH 19693 1 pressure 1 . atm 19693 1 temperature 298 . K 19693 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19693 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19693 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19693 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19693 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19693 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19693 2 'data analysis' 19693 2 'peak picking' 19693 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19693 _Software.ID 3 _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' . . 19693 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19693 3 'structure solution' 19693 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19693 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19693 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19693 4 'structure solution' 19693 4 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 19693 _Software.ID 5 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 19693 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19693 5 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 19693 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19693 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19693 _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 . 600 . . . 19693 1 2 spectrometer_2 Varian Avance . 500 . . . 19693 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 19693 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 9 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19693 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 19693 _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 . . . . . . . . . 19693 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19693 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19693 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 19693 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 10 '3D 1H-15N NOESY' 1 $sample_1 . 19693 1 11 '3D 1H-13C NOESY' 1 $sample_1 . 19693 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 1 1 ALA HA H 1 4.197 0.000 . . . . . . 1 ALA HA . 19693 1 2 . 1 1 1 1 ALA HB1 H 1 1.464 0.000 . . . . . . 1 ALA QB . 19693 1 3 . 1 1 1 1 ALA HB2 H 1 1.464 0.000 . . . . . . 1 ALA QB . 19693 1 4 . 1 1 1 1 ALA HB3 H 1 1.464 0.000 . . . . . . 1 ALA QB . 19693 1 5 . 1 1 1 1 ALA C C 13 173.123 0.000 . . . . . . 1 ALA C . 19693 1 6 . 1 1 1 1 ALA CA C 13 49.241 0.000 . . . . . . 1 ALA CA . 19693 1 7 . 1 1 1 1 ALA CB C 13 16.981 0.000 . . . . . . 1 ALA CB . 19693 1 8 . 1 1 2 2 THR H H 1 8.365 0.000 . . . . . . 2 THR H . 19693 1 9 . 1 1 2 2 THR HA H 1 4.571 0.000 . . . . . . 2 THR HA . 19693 1 10 . 1 1 2 2 THR HB H 1 4.001 0.000 . . . . . . 2 THR HB . 19693 1 11 . 1 1 2 2 THR HG21 H 1 1.182 0.000 . . . . . . 2 THR QG2 . 19693 1 12 . 1 1 2 2 THR HG22 H 1 1.182 0.000 . . . . . . 2 THR QG2 . 19693 1 13 . 1 1 2 2 THR HG23 H 1 1.182 0.000 . . . . . . 2 THR QG2 . 19693 1 14 . 1 1 2 2 THR C C 13 173.249 0.000 . . . . . . 2 THR C . 19693 1 15 . 1 1 2 2 THR CA C 13 59.977 0.000 . . . . . . 2 THR CA . 19693 1 16 . 1 1 2 2 THR CB C 13 68.060 0.000 . . . . . . 2 THR CB . 19693 1 17 . 1 1 2 2 THR CG2 C 13 19.234 0.000 . . . . . . 2 THR CG2 . 19693 1 18 . 1 1 2 2 THR N N 15 115.586 0.000 . . . . . . 2 THR N . 19693 1 19 . 1 1 3 3 CYS H H 1 8.279 0.000 . . . . . . 3 CYS H . 19693 1 20 . 1 1 3 3 CYS HA H 1 5.529 0.000 . . . . . . 3 CYS HA . 19693 1 21 . 1 1 3 3 CYS HB2 H 1 2.635 0.000 . . . . . . 3 CYS HB2 . 19693 1 22 . 1 1 3 3 CYS HB3 H 1 2.296 0.000 . . . . . . 3 CYS HB3 . 19693 1 23 . 1 1 3 3 CYS C C 13 170.990 0.000 . . . . . . 3 CYS C . 19693 1 24 . 1 1 3 3 CYS CA C 13 52.424 0.000 . . . . . . 3 CYS CA . 19693 1 25 . 1 1 3 3 CYS CB C 13 47.514 0.000 . . . . . . 3 CYS CB . 19693 1 26 . 1 1 3 3 CYS N N 15 122.021 0.000 . . . . . . 3 CYS N . 19693 1 27 . 1 1 4 4 TYR H H 1 8.632 0.000 . . . . . . 4 TYR H . 19693 1 28 . 1 1 4 4 TYR HA H 1 4.736 0.000 . . . . . . 4 TYR HA . 19693 1 29 . 1 1 4 4 TYR HB2 H 1 3.164 0.000 . . . . . . 4 TYR HB2 . 19693 1 30 . 1 1 4 4 TYR HB3 H 1 2.430 0.000 . . . . . . 4 TYR HB3 . 19693 1 31 . 1 1 4 4 TYR HD1 H 1 7.119 0.000 . . . . . . 4 TYR QD . 19693 1 32 . 1 1 4 4 TYR HD2 H 1 7.119 0.000 . . . . . . 4 TYR QD . 19693 1 33 . 1 1 4 4 TYR HE1 H 1 6.680 0.000 . . . . . . 4 TYR QE . 19693 1 34 . 1 1 4 4 TYR HE2 H 1 6.680 0.000 . . . . . . 4 TYR QE . 19693 1 35 . 1 1 4 4 TYR C C 13 174.633 0.000 . . . . . . 4 TYR C . 19693 1 36 . 1 1 4 4 TYR CA C 13 53.772 0.000 . . . . . . 4 TYR CA . 19693 1 37 . 1 1 4 4 TYR CB C 13 39.602 0.000 . . . . . . 4 TYR CB . 19693 1 38 . 1 1 4 4 TYR CD1 C 13 131.116 0.000 . . . . . . 4 TYR CD1 . 19693 1 39 . 1 1 4 4 TYR CE1 C 13 115.594 0.000 . . . . . . 4 TYR CE1 . 19693 1 40 . 1 1 4 4 TYR N N 15 117.786 0.000 . . . . . . 4 TYR N . 19693 1 41 . 1 1 5 5 CYS H H 1 8.902 0.000 . . . . . . 5 CYS H . 19693 1 42 . 1 1 5 5 CYS HA H 1 5.397 0.000 . . . . . . 5 CYS HA . 19693 1 43 . 1 1 5 5 CYS HB2 H 1 3.123 0.000 . . . . . . 5 CYS HB2 . 19693 1 44 . 1 1 5 5 CYS HB3 H 1 2.741 0.000 . . . . . . 5 CYS HB3 . 19693 1 45 . 1 1 5 5 CYS C C 13 174.239 0.000 . . . . . . 5 CYS C . 19693 1 46 . 1 1 5 5 CYS CA C 13 53.833 0.000 . . . . . . 5 CYS CA . 19693 1 47 . 1 1 5 5 CYS CB C 13 41.545 0.000 . . . . . . 5 CYS CB . 19693 1 48 . 1 1 5 5 CYS N N 15 118.451 0.000 . . . . . . 5 CYS N . 19693 1 49 . 1 1 6 6 ARG H H 1 9.615 0.000 . . . . . . 6 ARG H . 19693 1 50 . 1 1 6 6 ARG HA H 1 5.018 0.000 . . . . . . 6 ARG HA . 19693 1 51 . 1 1 6 6 ARG HB2 H 1 1.933 0.000 . . . . . . 6 ARG HB2 . 19693 1 52 . 1 1 6 6 ARG HB3 H 1 1.706 0.000 . . . . . . 6 ARG HB3 . 19693 1 53 . 1 1 6 6 ARG HG2 H 1 1.570 0.000 . . . . . . 6 ARG QG . 19693 1 54 . 1 1 6 6 ARG HG3 H 1 1.570 0.000 . . . . . . 6 ARG QG . 19693 1 55 . 1 1 6 6 ARG HD2 H 1 3.263 0.000 . . . . . . 6 ARG QD . 19693 1 56 . 1 1 6 6 ARG HD3 H 1 3.263 0.000 . . . . . . 6 ARG QD . 19693 1 57 . 1 1 6 6 ARG C C 13 175.445 0.000 . . . . . . 6 ARG C . 19693 1 58 . 1 1 6 6 ARG CA C 13 51.799 0.000 . . . . . . 6 ARG CA . 19693 1 59 . 1 1 6 6 ARG CB C 13 30.528 0.000 . . . . . . 6 ARG CB . 19693 1 60 . 1 1 6 6 ARG CG C 13 24.736 0.000 . . . . . . 6 ARG CG . 19693 1 61 . 1 1 6 6 ARG CD C 13 40.665 0.000 . . . . . . 6 ARG CD . 19693 1 62 . 1 1 6 6 ARG N N 15 123.236 0.000 . . . . . . 6 ARG N . 19693 1 63 . 1 1 7 7 THR H H 1 8.713 0.000 . . . . . . 7 THR H . 19693 1 64 . 1 1 7 7 THR HA H 1 4.349 0.000 . . . . . . 7 THR HA . 19693 1 65 . 1 1 7 7 THR HB H 1 4.194 0.000 . . . . . . 7 THR HB . 19693 1 66 . 1 1 7 7 THR HG21 H 1 1.001 0.000 . . . . . . 7 THR QG2 . 19693 1 67 . 1 1 7 7 THR HG22 H 1 1.001 0.000 . . . . . . 7 THR QG2 . 19693 1 68 . 1 1 7 7 THR HG23 H 1 1.001 0.000 . . . . . . 7 THR QG2 . 19693 1 69 . 1 1 7 7 THR C C 13 175.851 0.000 . . . . . . 7 THR C . 19693 1 70 . 1 1 7 7 THR CA C 13 59.780 0.000 . . . . . . 7 THR CA . 19693 1 71 . 1 1 7 7 THR CB C 13 66.445 0.000 . . . . . . 7 THR CB . 19693 1 72 . 1 1 7 7 THR CG2 C 13 19.557 0.000 . . . . . . 7 THR CG2 . 19693 1 73 . 1 1 7 7 THR N N 15 113.052 0.000 . . . . . . 7 THR N . 19693 1 74 . 1 1 8 8 GLY H H 1 7.884 0.000 . . . . . . 8 GLY H . 19693 1 75 . 1 1 8 8 GLY HA2 H 1 4.139 0.000 . . . . . . 8 GLY HA2 . 19693 1 76 . 1 1 8 8 GLY HA3 H 1 3.776 0.000 . . . . . . 8 GLY HA3 . 19693 1 77 . 1 1 8 8 GLY C C 13 172.031 0.000 . . . . . . 8 GLY C . 19693 1 78 . 1 1 8 8 GLY CA C 13 41.730 0.000 . . . . . . 8 GLY CA . 19693 1 79 . 1 1 8 8 GLY N N 15 111.886 0.000 . . . . . . 8 GLY N . 19693 1 80 . 1 1 9 9 ARG H H 1 8.031 0.000 . . . . . . 9 ARG H . 19693 1 81 . 1 1 9 9 ARG HA H 1 4.137 0.000 . . . . . . 9 ARG HA . 19693 1 82 . 1 1 9 9 ARG HB2 H 1 1.892 0.000 . . . . . . 9 ARG HB2 . 19693 1 83 . 1 1 9 9 ARG HB3 H 1 1.685 0.000 . . . . . . 9 ARG HB3 . 19693 1 84 . 1 1 9 9 ARG HG2 H 1 1.623 0.000 . . . . . . 9 ARG QG . 19693 1 85 . 1 1 9 9 ARG HG3 H 1 1.623 0.000 . . . . . . 9 ARG QG . 19693 1 86 . 1 1 9 9 ARG HD2 H 1 3.162 0.000 . . . . . . 9 ARG QD . 19693 1 87 . 1 1 9 9 ARG HD3 H 1 3.162 0.000 . . . . . . 9 ARG QD . 19693 1 88 . 1 1 9 9 ARG HE H 1 7.121 0.000 . . . . . . 9 ARG HE . 19693 1 89 . 1 1 9 9 ARG C C 13 177.133 0.000 . . . . . . 9 ARG C . 19693 1 90 . 1 1 9 9 ARG CA C 13 53.246 0.000 . . . . . . 9 ARG CA . 19693 1 91 . 1 1 9 9 ARG CB C 13 28.531 0.000 . . . . . . 9 ARG CB . 19693 1 92 . 1 1 9 9 ARG CG C 13 24.425 0.000 . . . . . . 9 ARG CG . 19693 1 93 . 1 1 9 9 ARG CD C 13 40.898 0.000 . . . . . . 9 ARG CD . 19693 1 94 . 1 1 9 9 ARG N N 15 117.348 0.000 . . . . . . 9 ARG N . 19693 1 95 . 1 1 9 9 ARG NE N 15 84.590 0.000 . . . . . . 9 ARG NE . 19693 1 96 . 1 1 10 10 CYS H H 1 8.583 0.000 . . . . . . 10 CYS H . 19693 1 97 . 1 1 10 10 CYS HA H 1 4.714 0.000 . . . . . . 10 CYS HA . 19693 1 98 . 1 1 10 10 CYS HB2 H 1 3.336 0.000 . . . . . . 10 CYS HB2 . 19693 1 99 . 1 1 10 10 CYS HB3 H 1 2.714 0.000 . . . . . . 10 CYS HB3 . 19693 1 100 . 1 1 10 10 CYS CA C 13 50.246 0.000 . . . . . . 10 CYS CA . 19693 1 101 . 1 1 10 10 CYS CB C 13 33.460 0.000 . . . . . . 10 CYS CB . 19693 1 102 . 1 1 10 10 CYS N N 15 117.348 0.000 . . . . . . 10 CYS N . 19693 1 103 . 1 1 11 11 ALA HA H 1 4.296 0.000 . . . . . . 11 ALA HA . 19693 1 104 . 1 1 11 11 ALA HB1 H 1 1.314 0.000 . . . . . . 11 ALA QB . 19693 1 105 . 1 1 11 11 ALA HB2 H 1 1.314 0.000 . . . . . . 11 ALA QB . 19693 1 106 . 1 1 11 11 ALA HB3 H 1 1.314 0.000 . . . . . . 11 ALA QB . 19693 1 107 . 1 1 11 11 ALA CA C 13 49.629 0.000 . . . . . . 11 ALA CA . 19693 1 108 . 1 1 11 11 ALA CB C 13 16.647 0.000 . . . . . . 11 ALA CB . 19693 1 109 . 1 1 12 12 THR HB H 1 4.115 0.000 . . . . . . 12 THR HB . 19693 1 110 . 1 1 12 12 THR HG21 H 1 1.252 0.000 . . . . . . 12 THR QG2 . 19693 1 111 . 1 1 12 12 THR HG22 H 1 1.252 0.000 . . . . . . 12 THR QG2 . 19693 1 112 . 1 1 12 12 THR HG23 H 1 1.252 0.000 . . . . . . 12 THR QG2 . 19693 1 113 . 1 1 12 12 THR CB C 13 67.089 0.000 . . . . . . 12 THR CB . 19693 1 114 . 1 1 12 12 THR CG2 C 13 19.234 0.000 . . . . . . 12 THR CG2 . 19693 1 115 . 1 1 13 13 ARG HA H 1 4.073 0.000 . . . . . . 13 ARG HA . 19693 1 116 . 1 1 13 13 ARG HB2 H 1 1.995 0.000 . . . . . . 13 ARG QB . 19693 1 117 . 1 1 13 13 ARG HB3 H 1 1.995 0.000 . . . . . . 13 ARG QB . 19693 1 118 . 1 1 13 13 ARG HG2 H 1 1.647 0.000 . . . . . . 13 ARG QG . 19693 1 119 . 1 1 13 13 ARG HG3 H 1 1.647 0.000 . . . . . . 13 ARG QG . 19693 1 120 . 1 1 13 13 ARG HD2 H 1 3.202 0.000 . . . . . . 13 ARG QD . 19693 1 121 . 1 1 13 13 ARG HD3 H 1 3.202 0.000 . . . . . . 13 ARG QD . 19693 1 122 . 1 1 13 13 ARG HE H 1 7.208 0.000 . . . . . . 13 ARG HE . 19693 1 123 . 1 1 13 13 ARG CA C 13 55.450 0.000 . . . . . . 13 ARG CA . 19693 1 124 . 1 1 13 13 ARG CB C 13 25.699 0.000 . . . . . . 13 ARG CB . 19693 1 125 . 1 1 13 13 ARG CG C 13 25.376 0.000 . . . . . . 13 ARG CG . 19693 1 126 . 1 1 13 13 ARG CD C 13 40.575 0.000 . . . . . . 13 ARG CD . 19693 1 127 . 1 1 13 13 ARG NE N 15 84.363 0.000 . . . . . . 13 ARG NE . 19693 1 128 . 1 1 14 14 GLU HG2 H 1 2.327 0.000 . . . . . . 14 GLU QG . 19693 1 129 . 1 1 14 14 GLU HG3 H 1 2.327 0.000 . . . . . . 14 GLU QG . 19693 1 130 . 1 1 14 14 GLU CG C 13 31.520 0.000 . . . . . . 14 GLU CG . 19693 1 131 . 1 1 15 15 SER HA H 1 4.692 0.000 . . . . . . 15 SER HA . 19693 1 132 . 1 1 15 15 SER HB2 H 1 3.770 0.000 . . . . . . 15 SER QB . 19693 1 133 . 1 1 15 15 SER HB3 H 1 3.770 0.000 . . . . . . 15 SER QB . 19693 1 134 . 1 1 15 15 SER CB C 13 62.241 0.000 . . . . . . 15 SER CB . 19693 1 135 . 1 1 16 16 LEU HA H 1 4.760 0.000 . . . . . . 16 LEU HA . 19693 1 136 . 1 1 16 16 LEU HB2 H 1 1.986 0.000 . . . . . . 16 LEU HB2 . 19693 1 137 . 1 1 16 16 LEU HB3 H 1 1.514 0.000 . . . . . . 16 LEU HB3 . 19693 1 138 . 1 1 16 16 LEU HG H 1 1.100 0.000 . . . . . . 16 LEU HG . 19693 1 139 . 1 1 16 16 LEU HD11 H 1 0.944 0.000 . . . . . . 16 LEU QD1 . 19693 1 140 . 1 1 16 16 LEU HD12 H 1 0.944 0.000 . . . . . . 16 LEU QD1 . 19693 1 141 . 1 1 16 16 LEU HD13 H 1 0.944 0.000 . . . . . . 16 LEU QD1 . 19693 1 142 . 1 1 16 16 LEU HD21 H 1 1.581 0.000 . . . . . . 16 LEU QD2 . 19693 1 143 . 1 1 16 16 LEU HD22 H 1 1.581 0.000 . . . . . . 16 LEU QD2 . 19693 1 144 . 1 1 16 16 LEU HD23 H 1 1.581 0.000 . . . . . . 16 LEU QD2 . 19693 1 145 . 1 1 16 16 LEU C C 13 177.552 0.000 . . . . . . 16 LEU C . 19693 1 146 . 1 1 16 16 LEU CA C 13 54.175 0.000 . . . . . . 16 LEU CA . 19693 1 147 . 1 1 16 16 LEU CB C 13 38.191 0.000 . . . . . . 16 LEU CB . 19693 1 148 . 1 1 16 16 LEU CG C 13 21.498 0.000 . . . . . . 16 LEU CG . 19693 1 149 . 1 1 16 16 LEU CD1 C 13 23.436 0.000 . . . . . . 16 LEU CD1 . 19693 1 150 . 1 1 16 16 LEU CD2 C 13 25.053 0.000 . . . . . . 16 LEU CD2 . 19693 1 151 . 1 1 17 17 SER H H 1 9.441 0.000 . . . . . . 17 SER H . 19693 1 152 . 1 1 17 17 SER HA H 1 5.001 0.000 . . . . . . 17 SER HA . 19693 1 153 . 1 1 17 17 SER HB2 H 1 3.948 0.000 . . . . . . 17 SER HB2 . 19693 1 154 . 1 1 17 17 SER HB3 H 1 3.358 0.000 . . . . . . 17 SER HB3 . 19693 1 155 . 1 1 17 17 SER C C 13 171.536 0.000 . . . . . . 17 SER C . 19693 1 156 . 1 1 17 17 SER CA C 13 55.531 0.000 . . . . . . 17 SER CA . 19693 1 157 . 1 1 17 17 SER CB C 13 63.316 0.000 . . . . . . 17 SER CB . 19693 1 158 . 1 1 17 17 SER N N 15 124.162 0.000 . . . . . . 17 SER N . 19693 1 159 . 1 1 18 18 GLY H H 1 7.359 0.000 . . . . . . 18 GLY H . 19693 1 160 . 1 1 18 18 GLY HA2 H 1 4.414 0.000 . . . . . . 18 GLY HA2 . 19693 1 161 . 1 1 18 18 GLY HA3 H 1 3.956 0.000 . . . . . . 18 GLY HA3 . 19693 1 162 . 1 1 18 18 GLY C C 13 170.584 0.000 . . . . . . 18 GLY C . 19693 1 163 . 1 1 18 18 GLY CA C 13 41.868 0.000 . . . . . . 18 GLY CA . 19693 1 164 . 1 1 18 18 GLY N N 15 108.239 0.000 . . . . . . 18 GLY N . 19693 1 165 . 1 1 19 19 VAL H H 1 8.303 0.000 . . . . . . 19 VAL H . 19693 1 166 . 1 1 19 19 VAL HA H 1 5.134 0.000 . . . . . . 19 VAL HA . 19693 1 167 . 1 1 19 19 VAL HB H 1 1.994 0.000 . . . . . . 19 VAL HB . 19693 1 168 . 1 1 19 19 VAL HG11 H 1 0.908 0.000 . . . . . . 19 VAL QG1 . 19693 1 169 . 1 1 19 19 VAL HG12 H 1 0.908 0.000 . . . . . . 19 VAL QG1 . 19693 1 170 . 1 1 19 19 VAL HG13 H 1 0.908 0.000 . . . . . . 19 VAL QG1 . 19693 1 171 . 1 1 19 19 VAL HG21 H 1 0.828 0.000 . . . . . . 19 VAL QG2 . 19693 1 172 . 1 1 19 19 VAL HG22 H 1 0.828 0.000 . . . . . . 19 VAL QG2 . 19693 1 173 . 1 1 19 19 VAL HG23 H 1 0.828 0.000 . . . . . . 19 VAL QG2 . 19693 1 174 . 1 1 19 19 VAL C C 13 174.836 0.000 . . . . . . 19 VAL C . 19693 1 175 . 1 1 19 19 VAL CA C 13 57.390 0.000 . . . . . . 19 VAL CA . 19693 1 176 . 1 1 19 19 VAL CB C 13 33.578 0.000 . . . . . . 19 VAL CB . 19693 1 177 . 1 1 19 19 VAL CG1 C 13 19.296 0.000 . . . . . . 19 VAL CG1 . 19693 1 178 . 1 1 19 19 VAL CG2 C 13 16.647 0.000 . . . . . . 19 VAL CG2 . 19693 1 179 . 1 1 19 19 VAL N N 15 112.833 0.000 . . . . . . 19 VAL N . 19693 1 180 . 1 1 20 20 CYS H H 1 9.245 0.000 . . . . . . 20 CYS H . 19693 1 181 . 1 1 20 20 CYS HA H 1 4.884 0.000 . . . . . . 20 CYS HA . 19693 1 182 . 1 1 20 20 CYS HB2 H 1 2.740 0.000 . . . . . . 20 CYS HB2 . 19693 1 183 . 1 1 20 20 CYS HB3 H 1 3.040 0.000 . . . . . . 20 CYS HB3 . 19693 1 184 . 1 1 20 20 CYS C C 13 172.069 0.000 . . . . . . 20 CYS C . 19693 1 185 . 1 1 20 20 CYS CA C 13 51.297 0.000 . . . . . . 20 CYS CA . 19693 1 186 . 1 1 20 20 CYS CB C 13 42.803 0.000 . . . . . . 20 CYS CB . 19693 1 187 . 1 1 20 20 CYS N N 15 120.436 0.000 . . . . . . 20 CYS N . 19693 1 188 . 1 1 21 21 GLU H H 1 8.981 0.000 . . . . . . 21 GLU H . 19693 1 189 . 1 1 21 21 GLU HA H 1 5.183 0.000 . . . . . . 21 GLU HA . 19693 1 190 . 1 1 21 21 GLU HB2 H 1 2.091 0.000 . . . . . . 21 GLU HB2 . 19693 1 191 . 1 1 21 21 GLU HB3 H 1 1.841 0.000 . . . . . . 21 GLU HB3 . 19693 1 192 . 1 1 21 21 GLU HG2 H 1 2.294 0.000 . . . . . . 21 GLU HG2 . 19693 1 193 . 1 1 21 21 GLU HG3 H 1 2.112 0.000 . . . . . . 21 GLU HG3 . 19693 1 194 . 1 1 21 21 GLU C C 13 174.811 0.000 . . . . . . 21 GLU C . 19693 1 195 . 1 1 21 21 GLU CA C 13 52.216 0.000 . . . . . . 21 GLU CA . 19693 1 196 . 1 1 21 21 GLU CB C 13 25.376 0.000 . . . . . . 21 GLU CB . 19693 1 197 . 1 1 21 21 GLU CG C 13 29.580 0.000 . . . . . . 21 GLU CG . 19693 1 198 . 1 1 21 21 GLU N N 15 128.078 0.000 . . . . . . 21 GLU N . 19693 1 199 . 1 1 22 22 ILE H H 1 8.884 0.000 . . . . . . 22 ILE H . 19693 1 200 . 1 1 22 22 ILE HA H 1 4.245 0.000 . . . . . . 22 ILE HA . 19693 1 201 . 1 1 22 22 ILE HB H 1 1.580 0.000 . . . . . . 22 ILE HB . 19693 1 202 . 1 1 22 22 ILE HG12 H 1 0.987 0.000 . . . . . . 22 ILE HG12 . 19693 1 203 . 1 1 22 22 ILE HG13 H 1 0.553 0.000 . . . . . . 22 ILE HG13 . 19693 1 204 . 1 1 22 22 ILE HG21 H 1 0.669 0.000 . . . . . . 22 ILE QG2 . 19693 1 205 . 1 1 22 22 ILE HG22 H 1 0.669 0.000 . . . . . . 22 ILE QG2 . 19693 1 206 . 1 1 22 22 ILE HG23 H 1 0.669 0.000 . . . . . . 22 ILE QG2 . 19693 1 207 . 1 1 22 22 ILE HD11 H 1 -0.094 0.000 . . . . . . 22 ILE QD1 . 19693 1 208 . 1 1 22 22 ILE HD12 H 1 -0.094 0.000 . . . . . . 22 ILE QD1 . 19693 1 209 . 1 1 22 22 ILE HD13 H 1 -0.094 0.000 . . . . . . 22 ILE QD1 . 19693 1 210 . 1 1 22 22 ILE C C 13 175.839 0.000 . . . . . . 22 ILE C . 19693 1 211 . 1 1 22 22 ILE CA C 13 58.037 0.000 . . . . . . 22 ILE CA . 19693 1 212 . 1 1 22 22 ILE CB C 13 38.309 0.000 . . . . . . 22 ILE CB . 19693 1 213 . 1 1 22 22 ILE CG1 C 13 24.347 0.000 . . . . . . 22 ILE CG1 . 19693 1 214 . 1 1 22 22 ILE CG2 C 13 14.707 0.000 . . . . . . 22 ILE CG2 . 19693 1 215 . 1 1 22 22 ILE CD1 C 13 10.073 0.000 . . . . . . 22 ILE CD1 . 19693 1 216 . 1 1 22 22 ILE N N 15 127.676 0.000 . . . . . . 22 ILE N . 19693 1 217 . 1 1 23 23 SER H H 1 9.442 0.000 . . . . . . 23 SER H . 19693 1 218 . 1 1 23 23 SER HA H 1 4.016 0.000 . . . . . . 23 SER HA . 19693 1 219 . 1 1 23 23 SER HB2 H 1 4.230 0.000 . . . . . . 23 SER HB2 . 19693 1 220 . 1 1 23 23 SER HB3 H 1 3.820 0.000 . . . . . . 23 SER HB3 . 19693 1 221 . 1 1 23 23 SER C C 13 174.785 0.000 . . . . . . 23 SER C . 19693 1 222 . 1 1 23 23 SER CA C 13 56.097 0.000 . . . . . . 23 SER CA . 19693 1 223 . 1 1 23 23 SER CB C 13 59.837 0.000 . . . . . . 23 SER CB . 19693 1 224 . 1 1 23 23 SER N N 15 123.963 0.000 . . . . . . 23 SER N . 19693 1 225 . 1 1 24 24 GLY H H 1 8.570 0.000 . . . . . . 24 GLY H . 19693 1 226 . 1 1 24 24 GLY HA2 H 1 4.100 0.000 . . . . . . 24 GLY HA2 . 19693 1 227 . 1 1 24 24 GLY HA3 H 1 3.633 0.000 . . . . . . 24 GLY HA3 . 19693 1 228 . 1 1 24 24 GLY C C 13 173.389 0.000 . . . . . . 24 GLY C . 19693 1 229 . 1 1 24 24 GLY CA C 13 42.608 0.000 . . . . . . 24 GLY CA . 19693 1 230 . 1 1 24 24 GLY N N 15 104.009 0.000 . . . . . . 24 GLY N . 19693 1 231 . 1 1 25 25 ARG H H 1 7.822 0.000 . . . . . . 25 ARG H . 19693 1 232 . 1 1 25 25 ARG HA H 1 4.513 0.000 . . . . . . 25 ARG HA . 19693 1 233 . 1 1 25 25 ARG HB2 H 1 1.724 0.000 . . . . . . 25 ARG HB2 . 19693 1 234 . 1 1 25 25 ARG HB3 H 1 1.554 0.000 . . . . . . 25 ARG HB3 . 19693 1 235 . 1 1 25 25 ARG HG2 H 1 1.524 0.000 . . . . . . 25 ARG HG2 . 19693 1 236 . 1 1 25 25 ARG HG3 H 1 1.364 0.000 . . . . . . 25 ARG HG3 . 19693 1 237 . 1 1 25 25 ARG HD2 H 1 3.109 0.000 . . . . . . 25 ARG QD . 19693 1 238 . 1 1 25 25 ARG HD3 H 1 3.109 0.000 . . . . . . 25 ARG QD . 19693 1 239 . 1 1 25 25 ARG HE H 1 7.074 0.000 . . . . . . 25 ARG HE . 19693 1 240 . 1 1 25 25 ARG C C 13 172.869 0.000 . . . . . . 25 ARG C . 19693 1 241 . 1 1 25 25 ARG CA C 13 51.617 0.000 . . . . . . 25 ARG CA . 19693 1 242 . 1 1 25 25 ARG CB C 13 30.201 0.000 . . . . . . 25 ARG CB . 19693 1 243 . 1 1 25 25 ARG CG C 13 24.425 0.000 . . . . . . 25 ARG CG . 19693 1 244 . 1 1 25 25 ARG CD C 13 40.575 0.000 . . . . . . 25 ARG CD . 19693 1 245 . 1 1 25 25 ARG N N 15 120.867 0.000 . . . . . . 25 ARG N . 19693 1 246 . 1 1 25 25 ARG NE N 15 84.641 0.000 . . . . . . 25 ARG NE . 19693 1 247 . 1 1 26 26 LEU H H 1 8.091 0.000 . . . . . . 26 LEU H . 19693 1 248 . 1 1 26 26 LEU HA H 1 4.565 0.000 . . . . . . 26 LEU HA . 19693 1 249 . 1 1 26 26 LEU HB2 H 1 1.452 0.000 . . . . . . 26 LEU QB . 19693 1 250 . 1 1 26 26 LEU HB3 H 1 1.452 0.000 . . . . . . 26 LEU QB . 19693 1 251 . 1 1 26 26 LEU HG H 1 1.329 0.000 . . . . . . 26 LEU HG . 19693 1 252 . 1 1 26 26 LEU HD11 H 1 0.729 0.000 . . . . . . 26 LEU QD1 . 19693 1 253 . 1 1 26 26 LEU HD12 H 1 0.729 0.000 . . . . . . 26 LEU QD1 . 19693 1 254 . 1 1 26 26 LEU HD13 H 1 0.729 0.000 . . . . . . 26 LEU QD1 . 19693 1 255 . 1 1 26 26 LEU HD21 H 1 0.799 0.000 . . . . . . 26 LEU QD2 . 19693 1 256 . 1 1 26 26 LEU HD22 H 1 0.799 0.000 . . . . . . 26 LEU QD2 . 19693 1 257 . 1 1 26 26 LEU HD23 H 1 0.799 0.000 . . . . . . 26 LEU QD2 . 19693 1 258 . 1 1 26 26 LEU C C 13 175.712 0.000 . . . . . . 26 LEU C . 19693 1 259 . 1 1 26 26 LEU CA C 13 51.739 0.000 . . . . . . 26 LEU CA . 19693 1 260 . 1 1 26 26 LEU CB C 13 40.261 0.000 . . . . . . 26 LEU CB . 19693 1 261 . 1 1 26 26 LEU CG C 13 24.600 0.000 . . . . . . 26 LEU CG . 19693 1 262 . 1 1 26 26 LEU CD1 C 13 21.820 0.000 . . . . . . 26 LEU CD1 . 19693 1 263 . 1 1 26 26 LEU CD2 C 13 21.820 0.000 . . . . . . 26 LEU CD2 . 19693 1 264 . 1 1 26 26 LEU N N 15 123.477 0.000 . . . . . . 26 LEU N . 19693 1 265 . 1 1 27 27 TYR H H 1 9.031 0.000 . . . . . . 27 TYR H . 19693 1 266 . 1 1 27 27 TYR HA H 1 4.460 0.000 . . . . . . 27 TYR HA . 19693 1 267 . 1 1 27 27 TYR HB2 H 1 2.693 0.000 . . . . . . 27 TYR HB2 . 19693 1 268 . 1 1 27 27 TYR HB3 H 1 2.345 0.000 . . . . . . 27 TYR HB3 . 19693 1 269 . 1 1 27 27 TYR HD1 H 1 6.768 0.000 . . . . . . 27 TYR QD . 19693 1 270 . 1 1 27 27 TYR HD2 H 1 6.768 0.000 . . . . . . 27 TYR QD . 19693 1 271 . 1 1 27 27 TYR HE1 H 1 6.679 0.000 . . . . . . 27 TYR QE . 19693 1 272 . 1 1 27 27 TYR HE2 H 1 6.679 0.000 . . . . . . 27 TYR QE . 19693 1 273 . 1 1 27 27 TYR C C 13 174.976 0.000 . . . . . . 27 TYR C . 19693 1 274 . 1 1 27 27 TYR CA C 13 54.890 0.000 . . . . . . 27 TYR CA . 19693 1 275 . 1 1 27 27 TYR CB C 13 37.029 0.000 . . . . . . 27 TYR CB . 19693 1 276 . 1 1 27 27 TYR CD1 C 13 130.146 0.000 . . . . . . 27 TYR CD1 . 19693 1 277 . 1 1 27 27 TYR CE1 C 13 115.594 0.000 . . . . . . 27 TYR CE1 . 19693 1 278 . 1 1 27 27 TYR N N 15 124.804 0.000 . . . . . . 27 TYR N . 19693 1 279 . 1 1 28 28 ARG H H 1 9.196 0.000 . . . . . . 28 ARG H . 19693 1 280 . 1 1 28 28 ARG HA H 1 4.383 0.000 . . . . . . 28 ARG HA . 19693 1 281 . 1 1 28 28 ARG HB2 H 1 1.683 0.000 . . . . . . 28 ARG QB . 19693 1 282 . 1 1 28 28 ARG HB3 H 1 1.683 0.000 . . . . . . 28 ARG QB . 19693 1 283 . 1 1 28 28 ARG HG2 H 1 1.679 0.000 . . . . . . 28 ARG HG2 . 19693 1 284 . 1 1 28 28 ARG HG3 H 1 1.533 0.000 . . . . . . 28 ARG HG3 . 19693 1 285 . 1 1 28 28 ARG HD2 H 1 3.228 0.000 . . . . . . 28 ARG HD2 . 19693 1 286 . 1 1 28 28 ARG HD3 H 1 3.021 0.000 . . . . . . 28 ARG HD3 . 19693 1 287 . 1 1 28 28 ARG HE H 1 7.192 0.000 . . . . . . 28 ARG HE . 19693 1 288 . 1 1 28 28 ARG HH11 H 1 6.516 0.000 . . . . . . 28 ARG HH11 . 19693 1 289 . 1 1 28 28 ARG C C 13 174.481 0.000 . . . . . . 28 ARG C . 19693 1 290 . 1 1 28 28 ARG CA C 13 53.833 0.000 . . . . . . 28 ARG CA . 19693 1 291 . 1 1 28 28 ARG CB C 13 28.603 0.000 . . . . . . 28 ARG CB . 19693 1 292 . 1 1 28 28 ARG CG C 13 26.911 0.000 . . . . . . 28 ARG CG . 19693 1 293 . 1 1 28 28 ARG CD C 13 40.432 0.000 . . . . . . 28 ARG CD . 19693 1 294 . 1 1 28 28 ARG N N 15 123.114 0.000 . . . . . . 28 ARG N . 19693 1 295 . 1 1 28 28 ARG NE N 15 85.489 0.000 . . . . . . 28 ARG NE . 19693 1 296 . 1 1 28 28 ARG NH1 N 15 71.183 0.000 . . . . . . 28 ARG NH1 . 19693 1 297 . 1 1 29 29 LEU H H 1 8.329 0.000 . . . . . . 29 LEU H . 19693 1 298 . 1 1 29 29 LEU HA H 1 4.982 0.000 . . . . . . 29 LEU HA . 19693 1 299 . 1 1 29 29 LEU HB2 H 1 1.490 0.000 . . . . . . 29 LEU HB2 . 19693 1 300 . 1 1 29 29 LEU HB3 H 1 0.596 0.000 . . . . . . 29 LEU HB3 . 19693 1 301 . 1 1 29 29 LEU HG H 1 1.235 0.000 . . . . . . 29 LEU HG . 19693 1 302 . 1 1 29 29 LEU HD11 H 1 0.459 0.000 . . . . . . 29 LEU QD1 . 19693 1 303 . 1 1 29 29 LEU HD12 H 1 0.459 0.000 . . . . . . 29 LEU QD1 . 19693 1 304 . 1 1 29 29 LEU HD13 H 1 0.459 0.000 . . . . . . 29 LEU QD1 . 19693 1 305 . 1 1 29 29 LEU HD21 H 1 0.561 0.000 . . . . . . 29 LEU QD2 . 19693 1 306 . 1 1 29 29 LEU HD22 H 1 0.561 0.000 . . . . . . 29 LEU QD2 . 19693 1 307 . 1 1 29 29 LEU HD23 H 1 0.561 0.000 . . . . . . 29 LEU QD2 . 19693 1 308 . 1 1 29 29 LEU C C 13 174.925 0.000 . . . . . . 29 LEU C . 19693 1 309 . 1 1 29 29 LEU CA C 13 50.185 0.000 . . . . . . 29 LEU CA . 19693 1 310 . 1 1 29 29 LEU CB C 13 37.792 0.000 . . . . . . 29 LEU CB . 19693 1 311 . 1 1 29 29 LEU CG C 13 24.347 0.000 . . . . . . 29 LEU CG . 19693 1 312 . 1 1 29 29 LEU CD1 C 13 23.112 0.000 . . . . . . 29 LEU CD1 . 19693 1 313 . 1 1 29 29 LEU CD2 C 13 21.239 0.000 . . . . . . 29 LEU CD2 . 19693 1 314 . 1 1 29 29 LEU N N 15 120.619 0.000 . . . . . . 29 LEU N . 19693 1 315 . 1 1 30 30 CYS H H 1 8.786 0.000 . . . . . . 30 CYS H . 19693 1 316 . 1 1 30 30 CYS HA H 1 5.287 0.000 . . . . . . 30 CYS HA . 19693 1 317 . 1 1 30 30 CYS HB2 H 1 3.146 0.000 . . . . . . 30 CYS HB2 . 19693 1 318 . 1 1 30 30 CYS HB3 H 1 2.499 0.000 . . . . . . 30 CYS HB3 . 19693 1 319 . 1 1 30 30 CYS C C 13 174.646 0.000 . . . . . . 30 CYS C . 19693 1 320 . 1 1 30 30 CYS CA C 13 50.276 0.000 . . . . . . 30 CYS CA . 19693 1 321 . 1 1 30 30 CYS CB C 13 39.605 0.000 . . . . . . 30 CYS CB . 19693 1 322 . 1 1 30 30 CYS N N 15 125.083 0.000 . . . . . . 30 CYS N . 19693 1 323 . 1 1 31 31 CYS H H 1 8.954 0.000 . . . . . . 31 CYS H . 19693 1 324 . 1 1 31 31 CYS HA H 1 5.666 0.000 . . . . . . 31 CYS HA . 19693 1 325 . 1 1 31 31 CYS HB2 H 1 2.975 0.000 . . . . . . 31 CYS HB2 . 19693 1 326 . 1 1 31 31 CYS HB3 H 1 2.892 0.000 . . . . . . 31 CYS HB3 . 19693 1 327 . 1 1 31 31 CYS C C 13 174.011 0.000 . . . . . . 31 CYS C . 19693 1 328 . 1 1 31 31 CYS CA C 13 53.018 0.000 . . . . . . 31 CYS CA . 19693 1 329 . 1 1 31 31 CYS CB C 13 46.072 0.000 . . . . . . 31 CYS CB . 19693 1 330 . 1 1 31 31 CYS N N 15 120.846 0.000 . . . . . . 31 CYS N . 19693 1 331 . 1 1 32 32 ARG H H 1 9.060 0.000 . . . . . . 32 ARG H . 19693 1 332 . 1 1 32 32 ARG HA H 1 4.667 0.000 . . . . . . 32 ARG HA . 19693 1 333 . 1 1 32 32 ARG HB2 H 1 1.847 0.000 . . . . . . 32 ARG QB . 19693 1 334 . 1 1 32 32 ARG HB3 H 1 1.847 0.000 . . . . . . 32 ARG QB . 19693 1 335 . 1 1 32 32 ARG HG2 H 1 2.044 0.000 . . . . . . 32 ARG HG2 . 19693 1 336 . 1 1 32 32 ARG HG3 H 1 2.018 0.000 . . . . . . 32 ARG HG3 . 19693 1 337 . 1 1 32 32 ARG HD2 H 1 3.313 0.000 . . . . . . 32 ARG QD . 19693 1 338 . 1 1 32 32 ARG HD3 H 1 3.313 0.000 . . . . . . 32 ARG QD . 19693 1 339 . 1 1 32 32 ARG HE H 1 7.306 0.000 . . . . . . 32 ARG HE . 19693 1 340 . 1 1 32 32 ARG C C 13 177.980 0.000 . . . . . . 32 ARG C . 19693 1 341 . 1 1 32 32 ARG CA C 13 52.863 0.000 . . . . . . 32 ARG CA . 19693 1 342 . 1 1 32 32 ARG CB C 13 24.729 0.000 . . . . . . 32 ARG CB . 19693 1 343 . 1 1 32 32 ARG CG C 13 28.933 0.000 . . . . . . 32 ARG CG . 19693 1 344 . 1 1 32 32 ARG CD C 13 40.575 0.000 . . . . . . 32 ARG CD . 19693 1 345 . 1 1 32 32 ARG N N 15 123.114 0.000 . . . . . . 32 ARG N . 19693 1 346 . 1 1 32 32 ARG NE N 15 84.346 0.000 . . . . . . 32 ARG NE . 19693 1 347 . 2 1 1 1 ALA HA H 1 4.197 0.000 . . . . . . 101 ALA HA . 19693 1 348 . 2 1 1 1 ALA HB1 H 1 1.464 0.000 . . . . . . 101 ALA QB . 19693 1 349 . 2 1 1 1 ALA HB2 H 1 1.464 0.000 . . . . . . 101 ALA QB . 19693 1 350 . 2 1 1 1 ALA HB3 H 1 1.464 0.000 . . . . . . 101 ALA QB . 19693 1 351 . 2 1 1 1 ALA C C 13 173.123 0.000 . . . . . . 101 ALA C . 19693 1 352 . 2 1 1 1 ALA CA C 13 49.241 0.000 . . . . . . 101 ALA CA . 19693 1 353 . 2 1 1 1 ALA CB C 13 16.981 0.000 . . . . . . 101 ALA CB . 19693 1 354 . 2 1 2 2 THR H H 1 8.365 0.000 . . . . . . 102 THR H . 19693 1 355 . 2 1 2 2 THR HA H 1 4.571 0.000 . . . . . . 102 THR HA . 19693 1 356 . 2 1 2 2 THR HB H 1 4.001 0.000 . . . . . . 102 THR HB . 19693 1 357 . 2 1 2 2 THR HG21 H 1 1.182 0.000 . . . . . . 102 THR QG2 . 19693 1 358 . 2 1 2 2 THR HG22 H 1 1.182 0.000 . . . . . . 102 THR QG2 . 19693 1 359 . 2 1 2 2 THR HG23 H 1 1.182 0.000 . . . . . . 102 THR QG2 . 19693 1 360 . 2 1 2 2 THR C C 13 173.249 0.000 . . . . . . 102 THR C . 19693 1 361 . 2 1 2 2 THR CA C 13 59.977 0.000 . . . . . . 102 THR CA . 19693 1 362 . 2 1 2 2 THR CB C 13 68.060 0.000 . . . . . . 102 THR CB . 19693 1 363 . 2 1 2 2 THR CG2 C 13 19.234 0.000 . . . . . . 102 THR CG2 . 19693 1 364 . 2 1 2 2 THR N N 15 115.586 0.000 . . . . . . 102 THR N . 19693 1 365 . 2 1 3 3 CYS H H 1 8.279 0.000 . . . . . . 103 CYS H . 19693 1 366 . 2 1 3 3 CYS HA H 1 5.529 0.000 . . . . . . 103 CYS HA . 19693 1 367 . 2 1 3 3 CYS HB2 H 1 2.635 0.000 . . . . . . 103 CYS HB2 . 19693 1 368 . 2 1 3 3 CYS HB3 H 1 2.296 0.000 . . . . . . 103 CYS HB3 . 19693 1 369 . 2 1 3 3 CYS C C 13 170.990 0.000 . . . . . . 103 CYS C . 19693 1 370 . 2 1 3 3 CYS CA C 13 52.424 0.000 . . . . . . 103 CYS CA . 19693 1 371 . 2 1 3 3 CYS CB C 13 47.514 0.000 . . . . . . 103 CYS CB . 19693 1 372 . 2 1 3 3 CYS N N 15 122.021 0.000 . . . . . . 103 CYS N . 19693 1 373 . 2 1 4 4 TYR H H 1 8.632 0.000 . . . . . . 104 TYR H . 19693 1 374 . 2 1 4 4 TYR HA H 1 4.736 0.000 . . . . . . 104 TYR HA . 19693 1 375 . 2 1 4 4 TYR HB2 H 1 3.164 0.000 . . . . . . 104 TYR HB2 . 19693 1 376 . 2 1 4 4 TYR HB3 H 1 2.430 0.000 . . . . . . 104 TYR HB3 . 19693 1 377 . 2 1 4 4 TYR HD1 H 1 7.119 0.000 . . . . . . 104 TYR QD . 19693 1 378 . 2 1 4 4 TYR HD2 H 1 7.119 0.000 . . . . . . 104 TYR QD . 19693 1 379 . 2 1 4 4 TYR HE1 H 1 6.680 0.000 . . . . . . 104 TYR QE . 19693 1 380 . 2 1 4 4 TYR HE2 H 1 6.680 0.000 . . . . . . 104 TYR QE . 19693 1 381 . 2 1 4 4 TYR C C 13 174.633 0.000 . . . . . . 104 TYR C . 19693 1 382 . 2 1 4 4 TYR CA C 13 53.772 0.000 . . . . . . 104 TYR CA . 19693 1 383 . 2 1 4 4 TYR CB C 13 39.602 0.000 . . . . . . 104 TYR CB . 19693 1 384 . 2 1 4 4 TYR CD1 C 13 131.116 0.000 . . . . . . 104 TYR CD1 . 19693 1 385 . 2 1 4 4 TYR CE1 C 13 115.594 0.000 . . . . . . 104 TYR CE1 . 19693 1 386 . 2 1 4 4 TYR N N 15 117.786 0.000 . . . . . . 104 TYR N . 19693 1 387 . 2 1 5 5 CYS H H 1 8.902 0.000 . . . . . . 105 CYS H . 19693 1 388 . 2 1 5 5 CYS HA H 1 5.397 0.000 . . . . . . 105 CYS HA . 19693 1 389 . 2 1 5 5 CYS HB2 H 1 3.123 0.000 . . . . . . 105 CYS HB2 . 19693 1 390 . 2 1 5 5 CYS HB3 H 1 2.741 0.000 . . . . . . 105 CYS HB3 . 19693 1 391 . 2 1 5 5 CYS C C 13 174.239 0.000 . . . . . . 105 CYS C . 19693 1 392 . 2 1 5 5 CYS CA C 13 53.833 0.000 . . . . . . 105 CYS CA . 19693 1 393 . 2 1 5 5 CYS CB C 13 41.545 0.000 . . . . . . 105 CYS CB . 19693 1 394 . 2 1 5 5 CYS N N 15 118.451 0.000 . . . . . . 105 CYS N . 19693 1 395 . 2 1 6 6 ARG H H 1 9.615 0.000 . . . . . . 106 ARG H . 19693 1 396 . 2 1 6 6 ARG HA H 1 5.018 0.000 . . . . . . 106 ARG HA . 19693 1 397 . 2 1 6 6 ARG HB2 H 1 1.933 0.000 . . . . . . 106 ARG HB2 . 19693 1 398 . 2 1 6 6 ARG HB3 H 1 1.706 0.000 . . . . . . 106 ARG HB3 . 19693 1 399 . 2 1 6 6 ARG HG2 H 1 1.570 0.000 . . . . . . 106 ARG QG . 19693 1 400 . 2 1 6 6 ARG HG3 H 1 1.570 0.000 . . . . . . 106 ARG QG . 19693 1 401 . 2 1 6 6 ARG HD2 H 1 3.263 0.000 . . . . . . 106 ARG QD . 19693 1 402 . 2 1 6 6 ARG HD3 H 1 3.263 0.000 . . . . . . 106 ARG QD . 19693 1 403 . 2 1 6 6 ARG C C 13 175.445 0.000 . . . . . . 106 ARG C . 19693 1 404 . 2 1 6 6 ARG CA C 13 51.799 0.000 . . . . . . 106 ARG CA . 19693 1 405 . 2 1 6 6 ARG CB C 13 30.528 0.000 . . . . . . 106 ARG CB . 19693 1 406 . 2 1 6 6 ARG CG C 13 24.736 0.000 . . . . . . 106 ARG CG . 19693 1 407 . 2 1 6 6 ARG CD C 13 40.665 0.000 . . . . . . 106 ARG CD . 19693 1 408 . 2 1 6 6 ARG N N 15 123.236 0.000 . . . . . . 106 ARG N . 19693 1 409 . 2 1 7 7 THR H H 1 8.713 0.000 . . . . . . 107 THR H . 19693 1 410 . 2 1 7 7 THR HA H 1 4.349 0.000 . . . . . . 107 THR HA . 19693 1 411 . 2 1 7 7 THR HB H 1 4.194 0.000 . . . . . . 107 THR HB . 19693 1 412 . 2 1 7 7 THR HG21 H 1 1.001 0.000 . . . . . . 107 THR QG2 . 19693 1 413 . 2 1 7 7 THR HG22 H 1 1.001 0.000 . . . . . . 107 THR QG2 . 19693 1 414 . 2 1 7 7 THR HG23 H 1 1.001 0.000 . . . . . . 107 THR QG2 . 19693 1 415 . 2 1 7 7 THR C C 13 175.851 0.000 . . . . . . 107 THR C . 19693 1 416 . 2 1 7 7 THR CA C 13 59.780 0.000 . . . . . . 107 THR CA . 19693 1 417 . 2 1 7 7 THR CB C 13 66.445 0.000 . . . . . . 107 THR CB . 19693 1 418 . 2 1 7 7 THR CG2 C 13 19.557 0.000 . . . . . . 107 THR CG2 . 19693 1 419 . 2 1 7 7 THR N N 15 113.052 0.000 . . . . . . 107 THR N . 19693 1 420 . 2 1 8 8 GLY H H 1 7.884 0.000 . . . . . . 108 GLY H . 19693 1 421 . 2 1 8 8 GLY HA2 H 1 4.139 0.000 . . . . . . 108 GLY HA2 . 19693 1 422 . 2 1 8 8 GLY HA3 H 1 3.776 0.000 . . . . . . 108 GLY HA3 . 19693 1 423 . 2 1 8 8 GLY C C 13 172.031 0.000 . . . . . . 108 GLY C . 19693 1 424 . 2 1 8 8 GLY CA C 13 41.730 0.000 . . . . . . 108 GLY CA . 19693 1 425 . 2 1 8 8 GLY N N 15 111.886 0.000 . . . . . . 108 GLY N . 19693 1 426 . 2 1 9 9 ARG H H 1 8.031 0.000 . . . . . . 109 ARG H . 19693 1 427 . 2 1 9 9 ARG HA H 1 4.137 0.000 . . . . . . 109 ARG HA . 19693 1 428 . 2 1 9 9 ARG HB2 H 1 1.892 0.000 . . . . . . 109 ARG HB2 . 19693 1 429 . 2 1 9 9 ARG HB3 H 1 1.685 0.000 . . . . . . 109 ARG HB3 . 19693 1 430 . 2 1 9 9 ARG HG2 H 1 1.623 0.000 . . . . . . 109 ARG QG . 19693 1 431 . 2 1 9 9 ARG HG3 H 1 1.623 0.000 . . . . . . 109 ARG QG . 19693 1 432 . 2 1 9 9 ARG HD2 H 1 3.162 0.000 . . . . . . 109 ARG QD . 19693 1 433 . 2 1 9 9 ARG HD3 H 1 3.162 0.000 . . . . . . 109 ARG QD . 19693 1 434 . 2 1 9 9 ARG HE H 1 7.121 0.000 . . . . . . 109 ARG HE . 19693 1 435 . 2 1 9 9 ARG C C 13 177.133 0.000 . . . . . . 109 ARG C . 19693 1 436 . 2 1 9 9 ARG CA C 13 53.246 0.000 . . . . . . 109 ARG CA . 19693 1 437 . 2 1 9 9 ARG CB C 13 28.531 0.000 . . . . . . 109 ARG CB . 19693 1 438 . 2 1 9 9 ARG CG C 13 24.425 0.000 . . . . . . 109 ARG CG . 19693 1 439 . 2 1 9 9 ARG CD C 13 40.898 0.000 . . . . . . 109 ARG CD . 19693 1 440 . 2 1 9 9 ARG N N 15 117.348 0.000 . . . . . . 109 ARG N . 19693 1 441 . 2 1 9 9 ARG NE N 15 84.590 0.000 . . . . . . 109 ARG NE . 19693 1 442 . 2 1 10 10 CYS H H 1 8.583 0.000 . . . . . . 110 CYS H . 19693 1 443 . 2 1 10 10 CYS HA H 1 4.714 0.000 . . . . . . 110 CYS HA . 19693 1 444 . 2 1 10 10 CYS HB2 H 1 3.336 0.000 . . . . . . 110 CYS HB2 . 19693 1 445 . 2 1 10 10 CYS HB3 H 1 2.714 0.000 . . . . . . 110 CYS HB3 . 19693 1 446 . 2 1 10 10 CYS CA C 13 50.246 0.000 . . . . . . 110 CYS CA . 19693 1 447 . 2 1 10 10 CYS CB C 13 33.460 0.000 . . . . . . 110 CYS CB . 19693 1 448 . 2 1 10 10 CYS N N 15 117.348 0.000 . . . . . . 110 CYS N . 19693 1 449 . 2 1 11 11 ALA HA H 1 4.296 0.000 . . . . . . 111 ALA HA . 19693 1 450 . 2 1 11 11 ALA HB1 H 1 1.314 0.000 . . . . . . 111 ALA QB . 19693 1 451 . 2 1 11 11 ALA HB2 H 1 1.314 0.000 . . . . . . 111 ALA QB . 19693 1 452 . 2 1 11 11 ALA HB3 H 1 1.314 0.000 . . . . . . 111 ALA QB . 19693 1 453 . 2 1 11 11 ALA CA C 13 49.629 0.000 . . . . . . 111 ALA CA . 19693 1 454 . 2 1 11 11 ALA CB C 13 16.647 0.000 . . . . . . 111 ALA CB . 19693 1 455 . 2 1 12 12 THR HB H 1 4.115 0.000 . . . . . . 112 THR HB . 19693 1 456 . 2 1 12 12 THR HG21 H 1 1.252 0.000 . . . . . . 112 THR QG2 . 19693 1 457 . 2 1 12 12 THR HG22 H 1 1.252 0.000 . . . . . . 112 THR QG2 . 19693 1 458 . 2 1 12 12 THR HG23 H 1 1.252 0.000 . . . . . . 112 THR QG2 . 19693 1 459 . 2 1 12 12 THR CB C 13 67.089 0.000 . . . . . . 112 THR CB . 19693 1 460 . 2 1 12 12 THR CG2 C 13 19.234 0.000 . . . . . . 112 THR CG2 . 19693 1 461 . 2 1 13 13 ARG HA H 1 4.073 0.000 . . . . . . 113 ARG HA . 19693 1 462 . 2 1 13 13 ARG HB2 H 1 1.995 0.000 . . . . . . 113 ARG QB . 19693 1 463 . 2 1 13 13 ARG HB3 H 1 1.995 0.000 . . . . . . 113 ARG QB . 19693 1 464 . 2 1 13 13 ARG HG2 H 1 1.647 0.000 . . . . . . 113 ARG QG . 19693 1 465 . 2 1 13 13 ARG HG3 H 1 1.647 0.000 . . . . . . 113 ARG QG . 19693 1 466 . 2 1 13 13 ARG HD2 H 1 3.202 0.000 . . . . . . 113 ARG QD . 19693 1 467 . 2 1 13 13 ARG HD3 H 1 3.202 0.000 . . . . . . 113 ARG QD . 19693 1 468 . 2 1 13 13 ARG HE H 1 7.208 0.000 . . . . . . 113 ARG HE . 19693 1 469 . 2 1 13 13 ARG CA C 13 55.450 0.000 . . . . . . 113 ARG CA . 19693 1 470 . 2 1 13 13 ARG CB C 13 25.699 0.000 . . . . . . 113 ARG CB . 19693 1 471 . 2 1 13 13 ARG CG C 13 25.376 0.000 . . . . . . 113 ARG CG . 19693 1 472 . 2 1 13 13 ARG CD C 13 40.575 0.000 . . . . . . 113 ARG CD . 19693 1 473 . 2 1 13 13 ARG NE N 15 84.363 0.000 . . . . . . 113 ARG NE . 19693 1 474 . 2 1 14 14 GLU HG2 H 1 2.327 0.000 . . . . . . 114 GLU QG . 19693 1 475 . 2 1 14 14 GLU HG3 H 1 2.327 0.000 . . . . . . 114 GLU QG . 19693 1 476 . 2 1 14 14 GLU CG C 13 31.520 0.000 . . . . . . 114 GLU CG . 19693 1 477 . 2 1 15 15 SER HA H 1 4.692 0.000 . . . . . . 115 SER HA . 19693 1 478 . 2 1 15 15 SER HB2 H 1 3.770 0.000 . . . . . . 115 SER QB . 19693 1 479 . 2 1 15 15 SER HB3 H 1 3.770 0.000 . . . . . . 115 SER QB . 19693 1 480 . 2 1 15 15 SER CB C 13 62.241 0.000 . . . . . . 115 SER CB . 19693 1 481 . 2 1 16 16 LEU HA H 1 4.760 0.000 . . . . . . 116 LEU HA . 19693 1 482 . 2 1 16 16 LEU HB2 H 1 1.986 0.000 . . . . . . 116 LEU HB2 . 19693 1 483 . 2 1 16 16 LEU HB3 H 1 1.514 0.000 . . . . . . 116 LEU HB3 . 19693 1 484 . 2 1 16 16 LEU HG H 1 1.100 0.000 . . . . . . 116 LEU HG . 19693 1 485 . 2 1 16 16 LEU HD11 H 1 0.944 0.000 . . . . . . 116 LEU QD1 . 19693 1 486 . 2 1 16 16 LEU HD12 H 1 0.944 0.000 . . . . . . 116 LEU QD1 . 19693 1 487 . 2 1 16 16 LEU HD13 H 1 0.944 0.000 . . . . . . 116 LEU QD1 . 19693 1 488 . 2 1 16 16 LEU HD21 H 1 1.581 0.000 . . . . . . 116 LEU QD2 . 19693 1 489 . 2 1 16 16 LEU HD22 H 1 1.581 0.000 . . . . . . 116 LEU QD2 . 19693 1 490 . 2 1 16 16 LEU HD23 H 1 1.581 0.000 . . . . . . 116 LEU QD2 . 19693 1 491 . 2 1 16 16 LEU C C 13 177.552 0.000 . . . . . . 116 LEU C . 19693 1 492 . 2 1 16 16 LEU CA C 13 54.175 0.000 . . . . . . 116 LEU CA . 19693 1 493 . 2 1 16 16 LEU CB C 13 38.191 0.000 . . . . . . 116 LEU CB . 19693 1 494 . 2 1 16 16 LEU CG C 13 21.498 0.000 . . . . . . 116 LEU CG . 19693 1 495 . 2 1 16 16 LEU CD1 C 13 23.436 0.000 . . . . . . 116 LEU CD1 . 19693 1 496 . 2 1 16 16 LEU CD2 C 13 25.053 0.000 . . . . . . 116 LEU CD2 . 19693 1 497 . 2 1 17 17 SER H H 1 9.441 0.000 . . . . . . 117 SER H . 19693 1 498 . 2 1 17 17 SER HA H 1 5.001 0.000 . . . . . . 117 SER HA . 19693 1 499 . 2 1 17 17 SER HB2 H 1 3.948 0.000 . . . . . . 117 SER HB2 . 19693 1 500 . 2 1 17 17 SER HB3 H 1 3.358 0.000 . . . . . . 117 SER HB3 . 19693 1 501 . 2 1 17 17 SER C C 13 171.536 0.000 . . . . . . 117 SER C . 19693 1 502 . 2 1 17 17 SER CA C 13 55.531 0.000 . . . . . . 117 SER CA . 19693 1 503 . 2 1 17 17 SER CB C 13 63.316 0.000 . . . . . . 117 SER CB . 19693 1 504 . 2 1 17 17 SER N N 15 124.162 0.000 . . . . . . 117 SER N . 19693 1 505 . 2 1 18 18 GLY H H 1 7.359 0.000 . . . . . . 118 GLY H . 19693 1 506 . 2 1 18 18 GLY HA2 H 1 4.414 0.000 . . . . . . 118 GLY HA2 . 19693 1 507 . 2 1 18 18 GLY HA3 H 1 3.956 0.000 . . . . . . 118 GLY HA3 . 19693 1 508 . 2 1 18 18 GLY C C 13 170.584 0.000 . . . . . . 118 GLY C . 19693 1 509 . 2 1 18 18 GLY CA C 13 41.868 0.000 . . . . . . 118 GLY CA . 19693 1 510 . 2 1 18 18 GLY N N 15 108.239 0.000 . . . . . . 118 GLY N . 19693 1 511 . 2 1 19 19 VAL H H 1 8.303 0.000 . . . . . . 119 VAL H . 19693 1 512 . 2 1 19 19 VAL HA H 1 5.134 0.000 . . . . . . 119 VAL HA . 19693 1 513 . 2 1 19 19 VAL HB H 1 1.994 0.000 . . . . . . 119 VAL HB . 19693 1 514 . 2 1 19 19 VAL HG11 H 1 0.908 0.000 . . . . . . 119 VAL QG1 . 19693 1 515 . 2 1 19 19 VAL HG12 H 1 0.908 0.000 . . . . . . 119 VAL QG1 . 19693 1 516 . 2 1 19 19 VAL HG13 H 1 0.908 0.000 . . . . . . 119 VAL QG1 . 19693 1 517 . 2 1 19 19 VAL HG21 H 1 0.828 0.000 . . . . . . 119 VAL QG2 . 19693 1 518 . 2 1 19 19 VAL HG22 H 1 0.828 0.000 . . . . . . 119 VAL QG2 . 19693 1 519 . 2 1 19 19 VAL HG23 H 1 0.828 0.000 . . . . . . 119 VAL QG2 . 19693 1 520 . 2 1 19 19 VAL C C 13 174.836 0.000 . . . . . . 119 VAL C . 19693 1 521 . 2 1 19 19 VAL CA C 13 57.390 0.000 . . . . . . 119 VAL CA . 19693 1 522 . 2 1 19 19 VAL CB C 13 33.578 0.000 . . . . . . 119 VAL CB . 19693 1 523 . 2 1 19 19 VAL CG1 C 13 19.296 0.000 . . . . . . 119 VAL CG1 . 19693 1 524 . 2 1 19 19 VAL CG2 C 13 16.647 0.000 . . . . . . 119 VAL CG2 . 19693 1 525 . 2 1 19 19 VAL N N 15 112.833 0.000 . . . . . . 119 VAL N . 19693 1 526 . 2 1 20 20 CYS H H 1 9.245 0.000 . . . . . . 120 CYS H . 19693 1 527 . 2 1 20 20 CYS HA H 1 4.884 0.000 . . . . . . 120 CYS HA . 19693 1 528 . 2 1 20 20 CYS HB2 H 1 2.740 0.000 . . . . . . 120 CYS HB2 . 19693 1 529 . 2 1 20 20 CYS HB3 H 1 3.040 0.000 . . . . . . 120 CYS HB3 . 19693 1 530 . 2 1 20 20 CYS C C 13 172.069 0.000 . . . . . . 120 CYS C . 19693 1 531 . 2 1 20 20 CYS CA C 13 51.297 0.000 . . . . . . 120 CYS CA . 19693 1 532 . 2 1 20 20 CYS CB C 13 42.803 0.000 . . . . . . 120 CYS CB . 19693 1 533 . 2 1 20 20 CYS N N 15 120.436 0.000 . . . . . . 120 CYS N . 19693 1 534 . 2 1 21 21 GLU H H 1 8.981 0.000 . . . . . . 121 GLU H . 19693 1 535 . 2 1 21 21 GLU HA H 1 5.183 0.000 . . . . . . 121 GLU HA . 19693 1 536 . 2 1 21 21 GLU HB2 H 1 2.091 0.000 . . . . . . 121 GLU HB2 . 19693 1 537 . 2 1 21 21 GLU HB3 H 1 1.841 0.000 . . . . . . 121 GLU HB3 . 19693 1 538 . 2 1 21 21 GLU HG2 H 1 2.294 0.000 . . . . . . 121 GLU HG2 . 19693 1 539 . 2 1 21 21 GLU HG3 H 1 2.112 0.000 . . . . . . 121 GLU HG3 . 19693 1 540 . 2 1 21 21 GLU C C 13 174.811 0.000 . . . . . . 121 GLU C . 19693 1 541 . 2 1 21 21 GLU CA C 13 52.216 0.000 . . . . . . 121 GLU CA . 19693 1 542 . 2 1 21 21 GLU CB C 13 25.376 0.000 . . . . . . 121 GLU CB . 19693 1 543 . 2 1 21 21 GLU CG C 13 29.580 0.000 . . . . . . 121 GLU CG . 19693 1 544 . 2 1 21 21 GLU N N 15 128.078 0.000 . . . . . . 121 GLU N . 19693 1 545 . 2 1 22 22 ILE H H 1 8.884 0.000 . . . . . . 122 ILE H . 19693 1 546 . 2 1 22 22 ILE HA H 1 4.245 0.000 . . . . . . 122 ILE HA . 19693 1 547 . 2 1 22 22 ILE HB H 1 1.580 0.000 . . . . . . 122 ILE HB . 19693 1 548 . 2 1 22 22 ILE HG12 H 1 0.987 0.000 . . . . . . 122 ILE HG12 . 19693 1 549 . 2 1 22 22 ILE HG13 H 1 0.553 0.000 . . . . . . 122 ILE HG13 . 19693 1 550 . 2 1 22 22 ILE HG21 H 1 0.669 0.000 . . . . . . 122 ILE QG2 . 19693 1 551 . 2 1 22 22 ILE HG22 H 1 0.669 0.000 . . . . . . 122 ILE QG2 . 19693 1 552 . 2 1 22 22 ILE HG23 H 1 0.669 0.000 . . . . . . 122 ILE QG2 . 19693 1 553 . 2 1 22 22 ILE HD11 H 1 -0.094 0.000 . . . . . . 122 ILE QD1 . 19693 1 554 . 2 1 22 22 ILE HD12 H 1 -0.094 0.000 . . . . . . 122 ILE QD1 . 19693 1 555 . 2 1 22 22 ILE HD13 H 1 -0.094 0.000 . . . . . . 122 ILE QD1 . 19693 1 556 . 2 1 22 22 ILE C C 13 175.839 0.000 . . . . . . 122 ILE C . 19693 1 557 . 2 1 22 22 ILE CA C 13 58.037 0.000 . . . . . . 122 ILE CA . 19693 1 558 . 2 1 22 22 ILE CB C 13 38.309 0.000 . . . . . . 122 ILE CB . 19693 1 559 . 2 1 22 22 ILE CG1 C 13 24.347 0.000 . . . . . . 122 ILE CG1 . 19693 1 560 . 2 1 22 22 ILE CG2 C 13 14.707 0.000 . . . . . . 122 ILE CG2 . 19693 1 561 . 2 1 22 22 ILE CD1 C 13 10.073 0.000 . . . . . . 122 ILE CD1 . 19693 1 562 . 2 1 22 22 ILE N N 15 127.676 0.000 . . . . . . 122 ILE N . 19693 1 563 . 2 1 23 23 SER H H 1 9.442 0.000 . . . . . . 123 SER H . 19693 1 564 . 2 1 23 23 SER HA H 1 4.016 0.000 . . . . . . 123 SER HA . 19693 1 565 . 2 1 23 23 SER HB2 H 1 4.230 0.000 . . . . . . 123 SER HB2 . 19693 1 566 . 2 1 23 23 SER HB3 H 1 3.820 0.000 . . . . . . 123 SER HB3 . 19693 1 567 . 2 1 23 23 SER C C 13 174.785 0.000 . . . . . . 123 SER C . 19693 1 568 . 2 1 23 23 SER CA C 13 56.097 0.000 . . . . . . 123 SER CA . 19693 1 569 . 2 1 23 23 SER CB C 13 59.837 0.000 . . . . . . 123 SER CB . 19693 1 570 . 2 1 23 23 SER N N 15 123.963 0.000 . . . . . . 123 SER N . 19693 1 571 . 2 1 24 24 GLY H H 1 8.570 0.000 . . . . . . 124 GLY H . 19693 1 572 . 2 1 24 24 GLY HA2 H 1 4.100 0.000 . . . . . . 124 GLY HA2 . 19693 1 573 . 2 1 24 24 GLY HA3 H 1 3.633 0.000 . . . . . . 124 GLY HA3 . 19693 1 574 . 2 1 24 24 GLY C C 13 173.389 0.000 . . . . . . 124 GLY C . 19693 1 575 . 2 1 24 24 GLY CA C 13 42.608 0.000 . . . . . . 124 GLY CA . 19693 1 576 . 2 1 24 24 GLY N N 15 104.009 0.000 . . . . . . 124 GLY N . 19693 1 577 . 2 1 25 25 ARG H H 1 7.822 0.000 . . . . . . 125 ARG H . 19693 1 578 . 2 1 25 25 ARG HA H 1 4.513 0.000 . . . . . . 125 ARG HA . 19693 1 579 . 2 1 25 25 ARG HB2 H 1 1.724 0.000 . . . . . . 125 ARG HB2 . 19693 1 580 . 2 1 25 25 ARG HB3 H 1 1.554 0.000 . . . . . . 125 ARG HB3 . 19693 1 581 . 2 1 25 25 ARG HG2 H 1 1.524 0.000 . . . . . . 125 ARG HG2 . 19693 1 582 . 2 1 25 25 ARG HG3 H 1 1.364 0.000 . . . . . . 125 ARG HG3 . 19693 1 583 . 2 1 25 25 ARG HD2 H 1 3.109 0.000 . . . . . . 125 ARG QD . 19693 1 584 . 2 1 25 25 ARG HD3 H 1 3.109 0.000 . . . . . . 125 ARG QD . 19693 1 585 . 2 1 25 25 ARG HE H 1 7.074 0.000 . . . . . . 125 ARG HE . 19693 1 586 . 2 1 25 25 ARG C C 13 172.869 0.000 . . . . . . 125 ARG C . 19693 1 587 . 2 1 25 25 ARG CA C 13 51.617 0.000 . . . . . . 125 ARG CA . 19693 1 588 . 2 1 25 25 ARG CB C 13 30.201 0.000 . . . . . . 125 ARG CB . 19693 1 589 . 2 1 25 25 ARG CG C 13 24.425 0.000 . . . . . . 125 ARG CG . 19693 1 590 . 2 1 25 25 ARG CD C 13 40.575 0.000 . . . . . . 125 ARG CD . 19693 1 591 . 2 1 25 25 ARG N N 15 120.867 0.000 . . . . . . 125 ARG N . 19693 1 592 . 2 1 25 25 ARG NE N 15 84.641 0.000 . . . . . . 125 ARG NE . 19693 1 593 . 2 1 26 26 LEU H H 1 8.091 0.000 . . . . . . 126 LEU H . 19693 1 594 . 2 1 26 26 LEU HA H 1 4.565 0.000 . . . . . . 126 LEU HA . 19693 1 595 . 2 1 26 26 LEU HB2 H 1 1.452 0.000 . . . . . . 126 LEU QB . 19693 1 596 . 2 1 26 26 LEU HB3 H 1 1.452 0.000 . . . . . . 126 LEU QB . 19693 1 597 . 2 1 26 26 LEU HG H 1 1.329 0.000 . . . . . . 126 LEU HG . 19693 1 598 . 2 1 26 26 LEU HD11 H 1 0.729 0.000 . . . . . . 126 LEU QD1 . 19693 1 599 . 2 1 26 26 LEU HD12 H 1 0.729 0.000 . . . . . . 126 LEU QD1 . 19693 1 600 . 2 1 26 26 LEU HD13 H 1 0.729 0.000 . . . . . . 126 LEU QD1 . 19693 1 601 . 2 1 26 26 LEU HD21 H 1 0.799 0.000 . . . . . . 126 LEU QD2 . 19693 1 602 . 2 1 26 26 LEU HD22 H 1 0.799 0.000 . . . . . . 126 LEU QD2 . 19693 1 603 . 2 1 26 26 LEU HD23 H 1 0.799 0.000 . . . . . . 126 LEU QD2 . 19693 1 604 . 2 1 26 26 LEU C C 13 175.712 0.000 . . . . . . 126 LEU C . 19693 1 605 . 2 1 26 26 LEU CA C 13 51.739 0.000 . . . . . . 126 LEU CA . 19693 1 606 . 2 1 26 26 LEU CB C 13 40.261 0.000 . . . . . . 126 LEU CB . 19693 1 607 . 2 1 26 26 LEU CG C 13 24.600 0.000 . . . . . . 126 LEU CG . 19693 1 608 . 2 1 26 26 LEU CD1 C 13 21.820 0.000 . . . . . . 126 LEU CD1 . 19693 1 609 . 2 1 26 26 LEU CD2 C 13 21.820 0.000 . . . . . . 126 LEU CD2 . 19693 1 610 . 2 1 26 26 LEU N N 15 123.477 0.000 . . . . . . 126 LEU N . 19693 1 611 . 2 1 27 27 TYR H H 1 9.031 0.000 . . . . . . 127 TYR H . 19693 1 612 . 2 1 27 27 TYR HA H 1 4.460 0.000 . . . . . . 127 TYR HA . 19693 1 613 . 2 1 27 27 TYR HB2 H 1 2.693 0.000 . . . . . . 127 TYR HB2 . 19693 1 614 . 2 1 27 27 TYR HB3 H 1 2.345 0.000 . . . . . . 127 TYR HB3 . 19693 1 615 . 2 1 27 27 TYR HD1 H 1 6.768 0.000 . . . . . . 127 TYR QD . 19693 1 616 . 2 1 27 27 TYR HD2 H 1 6.768 0.000 . . . . . . 127 TYR QD . 19693 1 617 . 2 1 27 27 TYR HE1 H 1 6.680 0.000 . . . . . . 127 TYR QE . 19693 1 618 . 2 1 27 27 TYR HE2 H 1 6.680 0.000 . . . . . . 127 TYR QE . 19693 1 619 . 2 1 27 27 TYR C C 13 174.976 0.000 . . . . . . 127 TYR C . 19693 1 620 . 2 1 27 27 TYR CA C 13 54.890 0.000 . . . . . . 127 TYR CA . 19693 1 621 . 2 1 27 27 TYR CB C 13 37.029 0.000 . . . . . . 127 TYR CB . 19693 1 622 . 2 1 27 27 TYR CD1 C 13 130.146 0.000 . . . . . . 127 TYR CD1 . 19693 1 623 . 2 1 27 27 TYR CE1 C 13 115.594 0.000 . . . . . . 127 TYR CE1 . 19693 1 624 . 2 1 27 27 TYR N N 15 124.804 0.000 . . . . . . 127 TYR N . 19693 1 625 . 2 1 28 28 ARG H H 1 9.196 0.000 . . . . . . 128 ARG H . 19693 1 626 . 2 1 28 28 ARG HA H 1 4.383 0.000 . . . . . . 128 ARG HA . 19693 1 627 . 2 1 28 28 ARG HB2 H 1 1.683 0.000 . . . . . . 128 ARG QB . 19693 1 628 . 2 1 28 28 ARG HB3 H 1 1.683 0.000 . . . . . . 128 ARG QB . 19693 1 629 . 2 1 28 28 ARG HG2 H 1 1.679 0.000 . . . . . . 128 ARG HG2 . 19693 1 630 . 2 1 28 28 ARG HG3 H 1 1.533 0.000 . . . . . . 128 ARG HG3 . 19693 1 631 . 2 1 28 28 ARG HD2 H 1 3.228 0.000 . . . . . . 128 ARG HD2 . 19693 1 632 . 2 1 28 28 ARG HD3 H 1 3.021 0.000 . . . . . . 128 ARG HD3 . 19693 1 633 . 2 1 28 28 ARG HE H 1 7.192 0.000 . . . . . . 128 ARG HE . 19693 1 634 . 2 1 28 28 ARG HH11 H 1 6.516 0.000 . . . . . . 128 ARG HH11 . 19693 1 635 . 2 1 28 28 ARG C C 13 174.481 0.000 . . . . . . 128 ARG C . 19693 1 636 . 2 1 28 28 ARG CA C 13 53.833 0.000 . . . . . . 128 ARG CA . 19693 1 637 . 2 1 28 28 ARG CB C 13 28.603 0.000 . . . . . . 128 ARG CB . 19693 1 638 . 2 1 28 28 ARG CG C 13 26.911 0.000 . . . . . . 128 ARG CG . 19693 1 639 . 2 1 28 28 ARG CD C 13 40.432 0.000 . . . . . . 128 ARG CD . 19693 1 640 . 2 1 28 28 ARG N N 15 123.114 0.000 . . . . . . 128 ARG N . 19693 1 641 . 2 1 28 28 ARG NE N 15 85.489 0.000 . . . . . . 128 ARG NE . 19693 1 642 . 2 1 28 28 ARG NH1 N 15 71.183 0.000 . . . . . . 128 ARG NH1 . 19693 1 643 . 2 1 29 29 LEU H H 1 8.329 0.000 . . . . . . 129 LEU H . 19693 1 644 . 2 1 29 29 LEU HA H 1 4.982 0.000 . . . . . . 129 LEU HA . 19693 1 645 . 2 1 29 29 LEU HB2 H 1 1.490 0.000 . . . . . . 129 LEU HB2 . 19693 1 646 . 2 1 29 29 LEU HB3 H 1 0.596 0.000 . . . . . . 129 LEU HB3 . 19693 1 647 . 2 1 29 29 LEU HG H 1 1.235 0.000 . . . . . . 129 LEU HG . 19693 1 648 . 2 1 29 29 LEU HD11 H 1 0.459 0.000 . . . . . . 129 LEU QD1 . 19693 1 649 . 2 1 29 29 LEU HD12 H 1 0.459 0.000 . . . . . . 129 LEU QD1 . 19693 1 650 . 2 1 29 29 LEU HD13 H 1 0.459 0.000 . . . . . . 129 LEU QD1 . 19693 1 651 . 2 1 29 29 LEU HD21 H 1 0.561 0.000 . . . . . . 129 LEU QD2 . 19693 1 652 . 2 1 29 29 LEU HD22 H 1 0.561 0.000 . . . . . . 129 LEU QD2 . 19693 1 653 . 2 1 29 29 LEU HD23 H 1 0.561 0.000 . . . . . . 129 LEU QD2 . 19693 1 654 . 2 1 29 29 LEU C C 13 174.925 0.000 . . . . . . 129 LEU C . 19693 1 655 . 2 1 29 29 LEU CA C 13 50.185 0.000 . . . . . . 129 LEU CA . 19693 1 656 . 2 1 29 29 LEU CB C 13 37.792 0.000 . . . . . . 129 LEU CB . 19693 1 657 . 2 1 29 29 LEU CG C 13 24.347 0.000 . . . . . . 129 LEU CG . 19693 1 658 . 2 1 29 29 LEU CD1 C 13 23.112 0.000 . . . . . . 129 LEU CD1 . 19693 1 659 . 2 1 29 29 LEU CD2 C 13 21.239 0.000 . . . . . . 129 LEU CD2 . 19693 1 660 . 2 1 29 29 LEU N N 15 120.619 0.000 . . . . . . 129 LEU N . 19693 1 661 . 2 1 30 30 CYS H H 1 8.786 0.000 . . . . . . 130 CYS H . 19693 1 662 . 2 1 30 30 CYS HA H 1 5.287 0.000 . . . . . . 130 CYS HA . 19693 1 663 . 2 1 30 30 CYS HB2 H 1 3.146 0.000 . . . . . . 130 CYS HB2 . 19693 1 664 . 2 1 30 30 CYS HB3 H 1 2.499 0.000 . . . . . . 130 CYS HB3 . 19693 1 665 . 2 1 30 30 CYS C C 13 174.646 0.000 . . . . . . 130 CYS C . 19693 1 666 . 2 1 30 30 CYS CA C 13 50.276 0.000 . . . . . . 130 CYS CA . 19693 1 667 . 2 1 30 30 CYS CB C 13 39.605 0.000 . . . . . . 130 CYS CB . 19693 1 668 . 2 1 30 30 CYS N N 15 125.083 0.000 . . . . . . 130 CYS N . 19693 1 669 . 2 1 31 31 CYS H H 1 8.954 0.000 . . . . . . 131 CYS H . 19693 1 670 . 2 1 31 31 CYS HA H 1 5.666 0.000 . . . . . . 131 CYS HA . 19693 1 671 . 2 1 31 31 CYS HB2 H 1 2.975 0.000 . . . . . . 131 CYS HB2 . 19693 1 672 . 2 1 31 31 CYS HB3 H 1 2.892 0.000 . . . . . . 131 CYS HB3 . 19693 1 673 . 2 1 31 31 CYS C C 13 174.011 0.000 . . . . . . 131 CYS C . 19693 1 674 . 2 1 31 31 CYS CA C 13 53.018 0.000 . . . . . . 131 CYS CA . 19693 1 675 . 2 1 31 31 CYS CB C 13 46.072 0.000 . . . . . . 131 CYS CB . 19693 1 676 . 2 1 31 31 CYS N N 15 120.846 0.000 . . . . . . 131 CYS N . 19693 1 677 . 2 1 32 32 ARG H H 1 9.060 0.000 . . . . . . 132 ARG H . 19693 1 678 . 2 1 32 32 ARG HA H 1 4.667 0.000 . . . . . . 132 ARG HA . 19693 1 679 . 2 1 32 32 ARG HB2 H 1 1.847 0.000 . . . . . . 132 ARG QB . 19693 1 680 . 2 1 32 32 ARG HB3 H 1 1.847 0.000 . . . . . . 132 ARG QB . 19693 1 681 . 2 1 32 32 ARG HG2 H 1 2.044 0.000 . . . . . . 132 ARG HG2 . 19693 1 682 . 2 1 32 32 ARG HG3 H 1 2.018 0.000 . . . . . . 132 ARG HG3 . 19693 1 683 . 2 1 32 32 ARG HD2 H 1 3.313 0.000 . . . . . . 132 ARG QD . 19693 1 684 . 2 1 32 32 ARG HD3 H 1 3.313 0.000 . . . . . . 132 ARG QD . 19693 1 685 . 2 1 32 32 ARG HE H 1 7.306 0.000 . . . . . . 132 ARG HE . 19693 1 686 . 2 1 32 32 ARG C C 13 177.980 0.000 . . . . . . 132 ARG C . 19693 1 687 . 2 1 32 32 ARG CA C 13 52.863 0.000 . . . . . . 132 ARG CA . 19693 1 688 . 2 1 32 32 ARG CB C 13 24.729 0.000 . . . . . . 132 ARG CB . 19693 1 689 . 2 1 32 32 ARG CG C 13 28.933 0.000 . . . . . . 132 ARG CG . 19693 1 690 . 2 1 32 32 ARG CD C 13 40.575 0.000 . . . . . . 132 ARG CD . 19693 1 691 . 2 1 32 32 ARG N N 15 123.114 0.000 . . . . . . 132 ARG N . 19693 1 692 . 2 1 32 32 ARG NE N 15 84.346 0.000 . . . . . . 132 ARG NE . 19693 1 stop_ save_