data_15812 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15812 _Entry.Title ; NMR Structure of FeoA-like protein from Clostridium acetobutylicum: Northeast Structural Genomics Consortium Target CaR178 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-20 _Entry.Accession_date 2008-06-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 'KIRAN KUMAR' SINGARAPU . . . 15812 2 YIBING WU . . . 15812 3 JIA HUA . . . 15812 4 DINESH SUKUMARAN . . . 15812 5 Li Zhao . . . 15812 6 Mei Jiang . . . 15812 7 Erica Foote . L. . 15812 8 Rong Xiao . . . 15812 9 Rajesh Nair . . . 15812 10 Michael Baran . C. . 15812 11 Swapna G.V.T . . . 15812 12 Thomas Acton . . . 15812 13 Burkhard Rost . . . 15812 14 Gaetano Montelione . T. . 15812 15 THOMAS SZYPERSKI . . . 15812 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15812 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 15812 '15N chemical shifts' 78 15812 '1H chemical shifts' 619 15812 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-27 2008-06-20 update BMRB 'update entity/assembly name' 15812 1 . . 2008-08-08 2008-06-20 original author 'original release' 15812 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K4Y 'BMRB Entry Tracking System' 15812 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15812 _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 'NMR Structure of FeoA-like protein from Clostridium acetobutylicum: Northeast Structural Genomics Consortium Target CaR178' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 'KIRAN KUMAR' SINGARAPU . . . 15812 1 2 YIBING WU . . . 15812 1 3 JIA HUA . . . 15812 1 4 DINESH SUKUMARAN . . . 15812 1 5 Li Zhao . . . 15812 1 6 Mei Jiang . . . 15812 1 7 Erica Foote . L. . 15812 1 8 Rong Xiao . . . 15812 1 9 Rajesh Nair . . . 15812 1 10 Michael Baran . C. . 15812 1 11 Swapna G.V.T . . . 15812 1 12 Thomas Acton . . . 15812 1 13 Burkhard Rost . . . 15812 1 14 Gaetano Montelione . T. . 15812 1 15 THOMAS SZYPERSKI . . . 15812 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GFT NMR' 15812 1 'Iron binding protein' 15812 1 'Structural Genomics' 15812 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15812 _Assembly.ID 1 _Assembly.Name 'FeoA-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FeoA-like protein' 1 $entity A . yes native no no . . . 15812 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15812 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FeoA-like protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTKGIGLNEVEIKSKVKVIG IVPESKVRRKIMDMGIVRGT EIYIEGKAPMGDPIALRLRG YSLSLRKSEAKDILVEVLLE HHHHHH ; _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9724.640 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K4Y . "Nmr Structure Of Feoa-Like Protein From Clostridium Acetobutylicum: Northeast Structural Genomics Consortium Target Car178" . . . . . 100.00 86 100.00 100.00 2.03e-51 . . . . 15812 1 2 no GB AAK79005 . "FeoA-like protein, involved in iron transport [Clostridium acetobutylicum ATCC 824]" . . . . . 90.70 78 100.00 100.00 8.82e-45 . . . . 15812 1 3 no GB ADZ20080 . "FeoA-like protein [Clostridium acetobutylicum EA 2018]" . . . . . 90.70 78 100.00 100.00 8.82e-45 . . . . 15812 1 4 no GB AEI31564 . "FeoA-like protein, involved in iron transport [Clostridium acetobutylicum DSM 1731]" . . . . . 90.70 78 100.00 100.00 8.82e-45 . . . . 15812 1 5 no GB KHD35643 . "iron transporter FeoA [Clostridium acetobutylicum]" . . . . . 90.70 78 97.44 98.72 9.15e-44 . . . . 15812 1 6 no REF NP_347665 . "Fe2+ transport protein FeoA [Clostridium acetobutylicum ATCC 824]" . . . . . 90.70 78 100.00 100.00 8.82e-45 . . . . 15812 1 7 no REF WP_010964347 . "iron transporter FeoA [Clostridium acetobutylicum]" . . . . . 90.70 78 100.00 100.00 8.82e-45 . . . . 15812 1 8 no REF WP_034584547 . "iron transporter FeoA [Clostridium acetobutylicum]" . . . . . 90.70 78 97.44 98.72 9.15e-44 . . . . 15812 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 . MET . 15812 1 2 . THR . 15812 1 3 . LYS . 15812 1 4 . GLY . 15812 1 5 . ILE . 15812 1 6 . GLY . 15812 1 7 . LEU . 15812 1 8 . ASN . 15812 1 9 . GLU . 15812 1 10 . VAL . 15812 1 11 . GLU . 15812 1 12 . ILE . 15812 1 13 . LYS . 15812 1 14 . SER . 15812 1 15 . LYS . 15812 1 16 . VAL . 15812 1 17 . LYS . 15812 1 18 . VAL . 15812 1 19 . ILE . 15812 1 20 . GLY . 15812 1 21 . ILE . 15812 1 22 . VAL . 15812 1 23 . PRO . 15812 1 24 . GLU . 15812 1 25 . SER . 15812 1 26 . LYS . 15812 1 27 . VAL . 15812 1 28 . ARG . 15812 1 29 . ARG . 15812 1 30 . LYS . 15812 1 31 . ILE . 15812 1 32 . MET . 15812 1 33 . ASP . 15812 1 34 . MET . 15812 1 35 . GLY . 15812 1 36 . ILE . 15812 1 37 . VAL . 15812 1 38 . ARG . 15812 1 39 . GLY . 15812 1 40 . THR . 15812 1 41 . GLU . 15812 1 42 . ILE . 15812 1 43 . TYR . 15812 1 44 . ILE . 15812 1 45 . GLU . 15812 1 46 . GLY . 15812 1 47 . LYS . 15812 1 48 . ALA . 15812 1 49 . PRO . 15812 1 50 . MET . 15812 1 51 . GLY . 15812 1 52 . ASP . 15812 1 53 . PRO . 15812 1 54 . ILE . 15812 1 55 . ALA . 15812 1 56 . LEU . 15812 1 57 . ARG . 15812 1 58 . LEU . 15812 1 59 . ARG . 15812 1 60 . GLY . 15812 1 61 . TYR . 15812 1 62 . SER . 15812 1 63 . LEU . 15812 1 64 . SER . 15812 1 65 . LEU . 15812 1 66 . ARG . 15812 1 67 . LYS . 15812 1 68 . SER . 15812 1 69 . GLU . 15812 1 70 . ALA . 15812 1 71 . LYS . 15812 1 72 . ASP . 15812 1 73 . ILE . 15812 1 74 . LEU . 15812 1 75 . VAL . 15812 1 76 . GLU . 15812 1 77 . VAL . 15812 1 78 . LEU . 15812 1 79 . LEU . 15812 1 80 . GLU . 15812 1 81 . HIS . 15812 1 82 . HIS . 15812 1 83 . HIS . 15812 1 84 . HIS . 15812 1 85 . HIS . 15812 1 86 . HIS . 15812 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15812 1 . THR 2 2 15812 1 . LYS 3 3 15812 1 . GLY 4 4 15812 1 . ILE 5 5 15812 1 . GLY 6 6 15812 1 . LEU 7 7 15812 1 . ASN 8 8 15812 1 . GLU 9 9 15812 1 . VAL 10 10 15812 1 . GLU 11 11 15812 1 . ILE 12 12 15812 1 . LYS 13 13 15812 1 . SER 14 14 15812 1 . LYS 15 15 15812 1 . VAL 16 16 15812 1 . LYS 17 17 15812 1 . VAL 18 18 15812 1 . ILE 19 19 15812 1 . GLY 20 20 15812 1 . ILE 21 21 15812 1 . VAL 22 22 15812 1 . PRO 23 23 15812 1 . GLU 24 24 15812 1 . SER 25 25 15812 1 . LYS 26 26 15812 1 . VAL 27 27 15812 1 . ARG 28 28 15812 1 . ARG 29 29 15812 1 . LYS 30 30 15812 1 . ILE 31 31 15812 1 . MET 32 32 15812 1 . ASP 33 33 15812 1 . MET 34 34 15812 1 . GLY 35 35 15812 1 . ILE 36 36 15812 1 . VAL 37 37 15812 1 . ARG 38 38 15812 1 . GLY 39 39 15812 1 . THR 40 40 15812 1 . GLU 41 41 15812 1 . ILE 42 42 15812 1 . TYR 43 43 15812 1 . ILE 44 44 15812 1 . GLU 45 45 15812 1 . GLY 46 46 15812 1 . LYS 47 47 15812 1 . ALA 48 48 15812 1 . PRO 49 49 15812 1 . MET 50 50 15812 1 . GLY 51 51 15812 1 . ASP 52 52 15812 1 . PRO 53 53 15812 1 . ILE 54 54 15812 1 . ALA 55 55 15812 1 . LEU 56 56 15812 1 . ARG 57 57 15812 1 . LEU 58 58 15812 1 . ARG 59 59 15812 1 . GLY 60 60 15812 1 . TYR 61 61 15812 1 . SER 62 62 15812 1 . LEU 63 63 15812 1 . SER 64 64 15812 1 . LEU 65 65 15812 1 . ARG 66 66 15812 1 . LYS 67 67 15812 1 . SER 68 68 15812 1 . GLU 69 69 15812 1 . ALA 70 70 15812 1 . LYS 71 71 15812 1 . ASP 72 72 15812 1 . ILE 73 73 15812 1 . LEU 74 74 15812 1 . VAL 75 75 15812 1 . GLU 76 76 15812 1 . VAL 77 77 15812 1 . LEU 78 78 15812 1 . LEU 79 79 15812 1 . GLU 80 80 15812 1 . HIS 81 81 15812 1 . HIS 82 82 15812 1 . HIS 83 83 15812 1 . HIS 84 84 15812 1 . HIS 85 85 15812 1 . HIS 86 86 15812 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 15812 _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 . 1488 organism . 'Clostridium acetobutylicum' 'Clostridium acetobutylicum' . . Bacteria . Clostridium acetobutylicum . . . . . . . . . . . . . . . . . . . . . 15812 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 15812 _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 . . . . . . . . . . . . . . . . pet21-23C . . . . . . 15812 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15812 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.91 . . mM . . . . 15812 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15812 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15812 1 pH 6.5 . pH 15812 1 pressure 1 . atm 15812 1 temperature 298 . K 15812 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15812 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15812 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15812 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15812 _Software.ID 2 _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' . . 15812 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15812 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15812 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15812 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15812 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15812 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15812 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15812 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15812 _Software.ID 5 _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' . . 15812 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15812 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15812 _Software.ID 6 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15812 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15812 6 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15812 _Software.ID 7 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15812 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15812 7 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15812 _Software.ID 8 _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' . . 15812 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15812 8 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15812 _Software.ID 9 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15812 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15812 9 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 15812 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 15812 _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 Varian INOVA . 750 . . . 15812 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 15812 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15812 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15812 1 3 '4.3D GFT HNNCABCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15812 1 4 '4,3D GFT CABCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15812 1 5 '4,3D GFT HABCABCONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15812 1 6 '4,3D GFT HCCH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15812 1 7 '3D 15N, 13C resolved NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15812 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 15812 _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 . indirect 0.251449530 . . . . . . . . . 15812 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15812 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15812 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 15812 _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 1 '2D 1H-15N HSQC' . . . 15812 1 2 '3D HNCO' . . . 15812 1 3 '4.3D GFT HNNCABCA' . . . 15812 1 4 '4,3D GFT CABCACONH' . . . 15812 1 5 '4,3D GFT HABCABCONH' . . . 15812 1 6 '4,3D GFT HCCH COSY' . . . 15812 1 7 '3D 15N, 13C resolved NOESY' . . . 15812 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 2 2 THR H H 1 8.270 0.000 . 1 . . . . 2 THR H . 15812 1 2 . 1 1 2 2 THR HA H 1 3.776 0.000 . 1 . . . . 2 THR HA . 15812 1 3 . 1 1 2 2 THR HB H 1 4.075 0.000 . 1 . . . . 2 THR HB . 15812 1 4 . 1 1 2 2 THR HG21 H 1 1.251 0.000 . 1 . . . . 2 THR QG2 . 15812 1 5 . 1 1 2 2 THR HG22 H 1 1.251 0.000 . 1 . . . . 2 THR QG2 . 15812 1 6 . 1 1 2 2 THR HG23 H 1 1.251 0.000 . 1 . . . . 2 THR QG2 . 15812 1 7 . 1 1 2 2 THR CA C 13 61.613 0.000 . 1 . . . . 2 THR CA . 15812 1 8 . 1 1 2 2 THR CB C 13 69.450 0.000 . 1 . . . . 2 THR CB . 15812 1 9 . 1 1 2 2 THR CG2 C 13 21.282 0.000 . 1 . . . . 2 THR CG2 . 15812 1 10 . 1 1 3 3 LYS H H 1 8.220 0.000 . 1 . . . . 3 LYS H . 15812 1 11 . 1 1 3 3 LYS HA H 1 4.391 0.000 . 1 . . . . 3 LYS HA . 15812 1 12 . 1 1 3 3 LYS HB2 H 1 1.829 0.000 . 2 . . . . 3 LYS HB2 . 15812 1 13 . 1 1 3 3 LYS HB3 H 1 1.764 0.000 . 2 . . . . 3 LYS HB3 . 15812 1 14 . 1 1 3 3 LYS HD2 H 1 1.662 0.000 . 2 . . . . 3 LYS HD2 . 15812 1 15 . 1 1 3 3 LYS HD3 H 1 1.662 0.000 . 2 . . . . 3 LYS HD3 . 15812 1 16 . 1 1 3 3 LYS HE2 H 1 2.966 0.000 . 2 . . . . 3 LYS HE2 . 15812 1 17 . 1 1 3 3 LYS HE3 H 1 2.961 0.000 . 2 . . . . 3 LYS HE3 . 15812 1 18 . 1 1 3 3 LYS HG2 H 1 1.432 0.000 . 2 . . . . 3 LYS HG2 . 15812 1 19 . 1 1 3 3 LYS HG3 H 1 1.435 0.000 . 2 . . . . 3 LYS HG3 . 15812 1 20 . 1 1 3 3 LYS C C 13 175.764 0.000 . 1 . . . . 3 LYS C . 15812 1 21 . 1 1 3 3 LYS CA C 13 56.233 0.000 . 1 . . . . 3 LYS CA . 15812 1 22 . 1 1 3 3 LYS CB C 13 33.279 0.000 . 1 . . . . 3 LYS CB . 15812 1 23 . 1 1 3 3 LYS CD C 13 28.780 0.000 . 1 . . . . 3 LYS CD . 15812 1 24 . 1 1 3 3 LYS CE C 13 41.780 0.000 . 1 . . . . 3 LYS CE . 15812 1 25 . 1 1 3 3 LYS CG C 13 24.520 0.000 . 1 . . . . 3 LYS CG . 15812 1 26 . 1 1 3 3 LYS N N 15 121.160 0.000 . 1 . . . . 3 LYS N . 15812 1 27 . 1 1 4 4 GLY H H 1 8.288 0.000 . 1 . . . . 4 GLY H . 15812 1 28 . 1 1 4 4 GLY HA2 H 1 4.029 0.007 . 2 . . . . 4 GLY HA2 . 15812 1 29 . 1 1 4 4 GLY HA3 H 1 3.719 0.004 . 2 . . . . 4 GLY HA3 . 15812 1 30 . 1 1 4 4 GLY C C 13 172.320 0.000 . 1 . . . . 4 GLY C . 15812 1 31 . 1 1 4 4 GLY CA C 13 44.620 0.000 . 1 . . . . 4 GLY CA . 15812 1 32 . 1 1 4 4 GLY N N 15 109.361 0.000 . 1 . . . . 4 GLY N . 15812 1 33 . 1 1 5 5 ILE H H 1 8.735 0.000 . 1 . . . . 5 ILE H . 15812 1 34 . 1 1 5 5 ILE HA H 1 4.510 0.006 . 1 . . . . 5 ILE HA . 15812 1 35 . 1 1 5 5 ILE HB H 1 1.761 0.000 . 1 . . . . 5 ILE HB . 15812 1 36 . 1 1 5 5 ILE HD11 H 1 0.776 0.006 . 1 . . . . 5 ILE QD1 . 15812 1 37 . 1 1 5 5 ILE HD12 H 1 0.776 0.006 . 1 . . . . 5 ILE QD1 . 15812 1 38 . 1 1 5 5 ILE HD13 H 1 0.776 0.006 . 1 . . . . 5 ILE QD1 . 15812 1 39 . 1 1 5 5 ILE HG12 H 1 1.380 0.007 . 2 . . . . 5 ILE HG12 . 15812 1 40 . 1 1 5 5 ILE HG13 H 1 1.108 0.007 . 2 . . . . 5 ILE HG13 . 15812 1 41 . 1 1 5 5 ILE HG21 H 1 0.821 0.002 . 1 . . . . 5 ILE QG2 . 15812 1 42 . 1 1 5 5 ILE HG22 H 1 0.821 0.002 . 1 . . . . 5 ILE QG2 . 15812 1 43 . 1 1 5 5 ILE HG23 H 1 0.821 0.002 . 1 . . . . 5 ILE QG2 . 15812 1 44 . 1 1 5 5 ILE C C 13 175.145 0.000 . 1 . . . . 5 ILE C . 15812 1 45 . 1 1 5 5 ILE CA C 13 59.180 0.000 . 1 . . . . 5 ILE CA . 15812 1 46 . 1 1 5 5 ILE CB C 13 41.382 0.000 . 1 . . . . 5 ILE CB . 15812 1 47 . 1 1 5 5 ILE CD1 C 13 13.742 0.026 . 1 . . . . 5 ILE CD1 . 15812 1 48 . 1 1 5 5 ILE CG1 C 13 26.499 0.022 . 1 . . . . 5 ILE CG1 . 15812 1 49 . 1 1 5 5 ILE CG2 C 13 17.048 0.000 . 1 . . . . 5 ILE CG2 . 15812 1 50 . 1 1 5 5 ILE N N 15 119.657 0.000 . 1 . . . . 5 ILE N . 15812 1 51 . 1 1 6 6 GLY H H 1 8.618 0.001 . 1 . . . . 6 GLY H . 15812 1 52 . 1 1 6 6 GLY HA2 H 1 3.770 0.005 . 2 . . . . 6 GLY HA2 . 15812 1 53 . 1 1 6 6 GLY HA3 H 1 4.464 0.004 . 2 . . . . 6 GLY HA3 . 15812 1 54 . 1 1 6 6 GLY C C 13 176.260 0.000 . 1 . . . . 6 GLY C . 15812 1 55 . 1 1 6 6 GLY CA C 13 45.513 0.000 . 1 . . . . 6 GLY CA . 15812 1 56 . 1 1 6 6 GLY N N 15 111.526 0.000 . 1 . . . . 6 GLY N . 15812 1 57 . 1 1 7 7 LEU H H 1 8.793 0.004 . 1 . . . . 7 LEU H . 15812 1 58 . 1 1 7 7 LEU HA H 1 3.871 0.005 . 1 . . . . 7 LEU HA . 15812 1 59 . 1 1 7 7 LEU HB2 H 1 1.434 0.003 . 1 . . . . 7 LEU HB2 . 15812 1 60 . 1 1 7 7 LEU HB3 H 1 2.265 0.007 . 1 . . . . 7 LEU HB3 . 15812 1 61 . 1 1 7 7 LEU HD11 H 1 0.820 0.000 . 2 . . . . 7 LEU QD1 . 15812 1 62 . 1 1 7 7 LEU HD12 H 1 0.820 0.000 . 2 . . . . 7 LEU QD1 . 15812 1 63 . 1 1 7 7 LEU HD13 H 1 0.820 0.000 . 2 . . . . 7 LEU QD1 . 15812 1 64 . 1 1 7 7 LEU HD21 H 1 0.854 0.000 . 2 . . . . 7 LEU QD2 . 15812 1 65 . 1 1 7 7 LEU HD22 H 1 0.854 0.000 . 2 . . . . 7 LEU QD2 . 15812 1 66 . 1 1 7 7 LEU HD23 H 1 0.854 0.000 . 2 . . . . 7 LEU QD2 . 15812 1 67 . 1 1 7 7 LEU HG H 1 0.782 0.003 . 1 . . . . 7 LEU HG . 15812 1 68 . 1 1 7 7 LEU C C 13 177.177 0.000 . 1 . . . . 7 LEU C . 15812 1 69 . 1 1 7 7 LEU CA C 13 57.667 0.113 . 1 . . . . 7 LEU CA . 15812 1 70 . 1 1 7 7 LEU CB C 13 41.128 0.000 . 1 . . . . 7 LEU CB . 15812 1 71 . 1 1 7 7 LEU CD1 C 13 23.065 0.000 . 1 . . . . 7 LEU CD1 . 15812 1 72 . 1 1 7 7 LEU CD2 C 13 25.180 0.000 . 1 . . . . 7 LEU CD2 . 15812 1 73 . 1 1 7 7 LEU CG C 13 26.731 0.055 . 1 . . . . 7 LEU CG . 15812 1 74 . 1 1 7 7 LEU N N 15 124.652 0.000 . 1 . . . . 7 LEU N . 15812 1 75 . 1 1 8 8 ASN H H 1 8.327 0.003 . 1 . . . . 8 ASN H . 15812 1 76 . 1 1 8 8 ASN HA H 1 4.061 0.007 . 1 . . . . 8 ASN HA . 15812 1 77 . 1 1 8 8 ASN HB2 H 1 2.891 0.003 . 1 . . . . 8 ASN HB2 . 15812 1 78 . 1 1 8 8 ASN HB3 H 1 2.232 0.002 . 1 . . . . 8 ASN HB3 . 15812 1 79 . 1 1 8 8 ASN HD21 H 1 7.652 0.007 . 2 . . . . 8 ASN HD21 . 15812 1 80 . 1 1 8 8 ASN HD22 H 1 7.191 0.000 . 2 . . . . 8 ASN HD22 . 15812 1 81 . 1 1 8 8 ASN C C 13 174.278 0.000 . 1 . . . . 8 ASN C . 15812 1 82 . 1 1 8 8 ASN CA C 13 55.559 0.000 . 1 . . . . 8 ASN CA . 15812 1 83 . 1 1 8 8 ASN CB C 13 37.040 0.034 . 1 . . . . 8 ASN CB . 15812 1 84 . 1 1 8 8 ASN N N 15 110.126 0.000 . 1 . . . . 8 ASN N . 15812 1 85 . 1 1 8 8 ASN ND2 N 15 115.936 0.000 . 1 . . . . 8 ASN ND2 . 15812 1 86 . 1 1 9 9 GLU H H 1 7.881 0.001 . 1 . . . . 9 GLU H . 15812 1 87 . 1 1 9 9 GLU HA H 1 4.255 0.001 . 1 . . . . 9 GLU HA . 15812 1 88 . 1 1 9 9 GLU HB2 H 1 1.996 0.003 . 1 . . . . 9 GLU HB2 . 15812 1 89 . 1 1 9 9 GLU HB3 H 1 2.200 0.006 . 1 . . . . 9 GLU HB3 . 15812 1 90 . 1 1 9 9 GLU HG2 H 1 2.152 0.000 . 1 . . . . 9 GLU HG2 . 15812 1 91 . 1 1 9 9 GLU HG3 H 1 2.108 0.005 . 1 . . . . 9 GLU HG3 . 15812 1 92 . 1 1 9 9 GLU C C 13 176.310 0.000 . 1 . . . . 9 GLU C . 15812 1 93 . 1 1 9 9 GLU CA C 13 56.292 0.059 . 1 . . . . 9 GLU CA . 15812 1 94 . 1 1 9 9 GLU CB C 13 30.046 0.000 . 1 . . . . 9 GLU CB . 15812 1 95 . 1 1 9 9 GLU CG C 13 36.308 0.000 . 1 . . . . 9 GLU CG . 15812 1 96 . 1 1 9 9 GLU N N 15 117.827 0.000 . 1 . . . . 9 GLU N . 15812 1 97 . 1 1 10 10 VAL H H 1 6.795 0.003 . 1 . . . . 10 VAL H . 15812 1 98 . 1 1 10 10 VAL HA H 1 3.811 0.004 . 1 . . . . 10 VAL HA . 15812 1 99 . 1 1 10 10 VAL HB H 1 1.842 0.005 . 1 . . . . 10 VAL HB . 15812 1 100 . 1 1 10 10 VAL HG11 H 1 0.960 0.009 . 1 . . . . 10 VAL QG1 . 15812 1 101 . 1 1 10 10 VAL HG12 H 1 0.960 0.009 . 1 . . . . 10 VAL QG1 . 15812 1 102 . 1 1 10 10 VAL HG13 H 1 0.960 0.009 . 1 . . . . 10 VAL QG1 . 15812 1 103 . 1 1 10 10 VAL HG21 H 1 0.829 0.005 . 1 . . . . 10 VAL QG2 . 15812 1 104 . 1 1 10 10 VAL HG22 H 1 0.829 0.005 . 1 . . . . 10 VAL QG2 . 15812 1 105 . 1 1 10 10 VAL HG23 H 1 0.829 0.005 . 1 . . . . 10 VAL QG2 . 15812 1 106 . 1 1 10 10 VAL C C 13 175.740 0.000 . 1 . . . . 10 VAL C . 15812 1 107 . 1 1 10 10 VAL CA C 13 62.189 0.000 . 1 . . . . 10 VAL CA . 15812 1 108 . 1 1 10 10 VAL CB C 13 32.173 0.088 . 1 . . . . 10 VAL CB . 15812 1 109 . 1 1 10 10 VAL CG1 C 13 22.312 0.103 . 1 . . . . 10 VAL CG1 . 15812 1 110 . 1 1 10 10 VAL CG2 C 13 22.344 0.000 . 1 . . . . 10 VAL CG2 . 15812 1 111 . 1 1 10 10 VAL N N 15 118.886 0.000 . 1 . . . . 10 VAL N . 15812 1 112 . 1 1 11 11 GLU H H 1 8.569 0.000 . 1 . . . . 11 GLU H . 15812 1 113 . 1 1 11 11 GLU HA H 1 4.146 0.002 . 1 . . . . 11 GLU HA . 15812 1 114 . 1 1 11 11 GLU HB2 H 1 1.864 0.000 . 1 . . . . 11 GLU HB2 . 15812 1 115 . 1 1 11 11 GLU HB3 H 1 1.970 0.000 . 1 . . . . 11 GLU HB3 . 15812 1 116 . 1 1 11 11 GLU HG2 H 1 2.448 0.000 . 2 . . . . 11 GLU HG2 . 15812 1 117 . 1 1 11 11 GLU HG3 H 1 2.360 0.000 . 2 . . . . 11 GLU HG3 . 15812 1 118 . 1 1 11 11 GLU C C 13 177.400 0.000 . 1 . . . . 11 GLU C . 15812 1 119 . 1 1 11 11 GLU CA C 13 56.171 0.000 . 1 . . . . 11 GLU CA . 15812 1 120 . 1 1 11 11 GLU CB C 13 30.264 0.000 . 1 . . . . 11 GLU CB . 15812 1 121 . 1 1 11 11 GLU CG C 13 36.010 0.000 . 1 . . . . 11 GLU CG . 15812 1 122 . 1 1 11 11 GLU N N 15 126.091 0.000 . 1 . . . . 11 GLU N . 15812 1 123 . 1 1 12 12 ILE H H 1 8.308 0.000 . 1 . . . . 12 ILE H . 15812 1 124 . 1 1 12 12 ILE HA H 1 3.621 0.002 . 1 . . . . 12 ILE HA . 15812 1 125 . 1 1 12 12 ILE HB H 1 1.603 0.001 . 1 . . . . 12 ILE HB . 15812 1 126 . 1 1 12 12 ILE HD11 H 1 0.951 0.003 . 1 . . . . 12 ILE QD1 . 15812 1 127 . 1 1 12 12 ILE HD12 H 1 0.951 0.003 . 1 . . . . 12 ILE QD1 . 15812 1 128 . 1 1 12 12 ILE HD13 H 1 0.951 0.003 . 1 . . . . 12 ILE QD1 . 15812 1 129 . 1 1 12 12 ILE HG12 H 1 1.376 0.000 . 2 . . . . 12 ILE HG12 . 15812 1 130 . 1 1 12 12 ILE HG13 H 1 1.147 0.003 . 2 . . . . 12 ILE HG13 . 15812 1 131 . 1 1 12 12 ILE HG21 H 1 0.933 0.005 . 1 . . . . 12 ILE QG2 . 15812 1 132 . 1 1 12 12 ILE HG22 H 1 0.933 0.005 . 1 . . . . 12 ILE QG2 . 15812 1 133 . 1 1 12 12 ILE HG23 H 1 0.933 0.005 . 1 . . . . 12 ILE QG2 . 15812 1 134 . 1 1 12 12 ILE C C 13 174.749 0.000 . 1 . . . . 12 ILE C . 15812 1 135 . 1 1 12 12 ILE CA C 13 63.005 0.000 . 1 . . . . 12 ILE CA . 15812 1 136 . 1 1 12 12 ILE CB C 13 39.188 0.000 . 1 . . . . 12 ILE CB . 15812 1 137 . 1 1 12 12 ILE CD1 C 13 14.248 0.000 . 1 . . . . 12 ILE CD1 . 15812 1 138 . 1 1 12 12 ILE CG1 C 13 26.395 0.000 . 1 . . . . 12 ILE CG1 . 15812 1 139 . 1 1 12 12 ILE CG2 C 13 18.200 0.000 . 1 . . . . 12 ILE CG2 . 15812 1 140 . 1 1 12 12 ILE N N 15 117.579 0.000 . 1 . . . . 12 ILE N . 15812 1 141 . 1 1 13 13 LYS H H 1 8.392 0.005 . 1 . . . . 13 LYS H . 15812 1 142 . 1 1 13 13 LYS HA H 1 3.657 0.003 . 1 . . . . 13 LYS HA . 15812 1 143 . 1 1 13 13 LYS HB2 H 1 2.074 0.003 . 2 . . . . 13 LYS HB2 . 15812 1 144 . 1 1 13 13 LYS HB3 H 1 2.193 0.000 . 2 . . . . 13 LYS HB3 . 15812 1 145 . 1 1 13 13 LYS HD2 H 1 1.689 0.000 . 2 . . . . 13 LYS HD2 . 15812 1 146 . 1 1 13 13 LYS HD3 H 1 1.689 0.000 . 2 . . . . 13 LYS HD3 . 15812 1 147 . 1 1 13 13 LYS HE2 H 1 2.980 0.000 . 2 . . . . 13 LYS HE2 . 15812 1 148 . 1 1 13 13 LYS HE3 H 1 2.980 0.000 . 2 . . . . 13 LYS HE3 . 15812 1 149 . 1 1 13 13 LYS HG2 H 1 1.393 0.002 . 2 . . . . 13 LYS HG2 . 15812 1 150 . 1 1 13 13 LYS HG3 H 1 1.310 0.000 . 2 . . . . 13 LYS HG3 . 15812 1 151 . 1 1 13 13 LYS C C 13 175.541 0.000 . 1 . . . . 13 LYS C . 15812 1 152 . 1 1 13 13 LYS CA C 13 57.701 0.000 . 1 . . . . 13 LYS CA . 15812 1 153 . 1 1 13 13 LYS CB C 13 28.683 0.000 . 1 . . . . 13 LYS CB . 15812 1 154 . 1 1 13 13 LYS CD C 13 29.112 0.000 . 1 . . . . 13 LYS CD . 15812 1 155 . 1 1 13 13 LYS CE C 13 42.011 0.000 . 1 . . . . 13 LYS CE . 15812 1 156 . 1 1 13 13 LYS CG C 13 25.581 0.000 . 1 . . . . 13 LYS CG . 15812 1 157 . 1 1 13 13 LYS N N 15 114.996 0.000 . 1 . . . . 13 LYS N . 15812 1 158 . 1 1 14 14 SER H H 1 6.876 0.002 . 1 . . . . 14 SER H . 15812 1 159 . 1 1 14 14 SER HA H 1 4.716 0.007 . 1 . . . . 14 SER HA . 15812 1 160 . 1 1 14 14 SER HB2 H 1 3.656 0.004 . 2 . . . . 14 SER HB2 . 15812 1 161 . 1 1 14 14 SER HB3 H 1 3.541 0.004 . 2 . . . . 14 SER HB3 . 15812 1 162 . 1 1 14 14 SER C C 13 171.428 0.000 . 1 . . . . 14 SER C . 15812 1 163 . 1 1 14 14 SER CA C 13 58.058 0.000 . 1 . . . . 14 SER CA . 15812 1 164 . 1 1 14 14 SER CB C 13 64.762 0.007 . 1 . . . . 14 SER CB . 15812 1 165 . 1 1 14 14 SER N N 15 111.918 0.000 . 1 . . . . 14 SER N . 15812 1 166 . 1 1 15 15 LYS H H 1 8.913 0.000 . 1 . . . . 15 LYS H . 15812 1 167 . 1 1 15 15 LYS HA H 1 5.220 0.004 . 1 . . . . 15 LYS HA . 15812 1 168 . 1 1 15 15 LYS HB2 H 1 1.768 0.002 . 2 . . . . 15 LYS HB2 . 15812 1 169 . 1 1 15 15 LYS HB3 H 1 1.848 0.000 . 2 . . . . 15 LYS HB3 . 15812 1 170 . 1 1 15 15 LYS HD2 H 1 1.700 0.000 . 2 . . . . 15 LYS HD2 . 15812 1 171 . 1 1 15 15 LYS HD3 H 1 1.674 0.000 . 2 . . . . 15 LYS HD3 . 15812 1 172 . 1 1 15 15 LYS HE2 H 1 2.810 0.000 . 2 . . . . 15 LYS HE2 . 15812 1 173 . 1 1 15 15 LYS HE3 H 1 2.838 0.000 . 2 . . . . 15 LYS HE3 . 15812 1 174 . 1 1 15 15 LYS HG2 H 1 1.390 0.003 . 2 . . . . 15 LYS HG2 . 15812 1 175 . 1 1 15 15 LYS HG3 H 1 1.459 0.000 . 2 . . . . 15 LYS HG3 . 15812 1 176 . 1 1 15 15 LYS C C 13 175.616 0.000 . 1 . . . . 15 LYS C . 15812 1 177 . 1 1 15 15 LYS CA C 13 54.987 0.000 . 1 . . . . 15 LYS CA . 15812 1 178 . 1 1 15 15 LYS CB C 13 35.003 0.000 . 1 . . . . 15 LYS CB . 15812 1 179 . 1 1 15 15 LYS CD C 13 29.574 0.000 . 1 . . . . 15 LYS CD . 15812 1 180 . 1 1 15 15 LYS CE C 13 41.879 0.000 . 1 . . . . 15 LYS CE . 15812 1 181 . 1 1 15 15 LYS CG C 13 25.822 0.000 . 1 . . . . 15 LYS CG . 15812 1 182 . 1 1 15 15 LYS N N 15 123.900 0.000 . 1 . . . . 15 LYS N . 15812 1 183 . 1 1 16 16 VAL H H 1 9.219 0.002 . 1 . . . . 16 VAL H . 15812 1 184 . 1 1 16 16 VAL HA H 1 5.336 0.007 . 1 . . . . 16 VAL HA . 15812 1 185 . 1 1 16 16 VAL HB H 1 2.028 0.003 . 1 . . . . 16 VAL HB . 15812 1 186 . 1 1 16 16 VAL HG11 H 1 0.826 0.005 . 1 . . . . 16 VAL QG1 . 15812 1 187 . 1 1 16 16 VAL HG12 H 1 0.826 0.005 . 1 . . . . 16 VAL QG1 . 15812 1 188 . 1 1 16 16 VAL HG13 H 1 0.826 0.005 . 1 . . . . 16 VAL QG1 . 15812 1 189 . 1 1 16 16 VAL HG21 H 1 0.671 0.005 . 1 . . . . 16 VAL QG2 . 15812 1 190 . 1 1 16 16 VAL HG22 H 1 0.671 0.005 . 1 . . . . 16 VAL QG2 . 15812 1 191 . 1 1 16 16 VAL HG23 H 1 0.671 0.005 . 1 . . . . 16 VAL QG2 . 15812 1 192 . 1 1 16 16 VAL C C 13 173.311 0.000 . 1 . . . . 16 VAL C . 15812 1 193 . 1 1 16 16 VAL CA C 13 57.650 0.000 . 1 . . . . 16 VAL CA . 15812 1 194 . 1 1 16 16 VAL CB C 13 35.553 0.086 . 1 . . . . 16 VAL CB . 15812 1 195 . 1 1 16 16 VAL CG1 C 13 23.074 0.032 . 1 . . . . 16 VAL CG1 . 15812 1 196 . 1 1 16 16 VAL CG2 C 13 19.294 0.000 . 1 . . . . 16 VAL CG2 . 15812 1 197 . 1 1 16 16 VAL N N 15 115.572 0.000 . 1 . . . . 16 VAL N . 15812 1 198 . 1 1 17 17 LYS H H 1 8.998 0.003 . 1 . . . . 17 LYS H . 15812 1 199 . 1 1 17 17 LYS HA H 1 5.220 0.000 . 1 . . . . 17 LYS HA . 15812 1 200 . 1 1 17 17 LYS HB2 H 1 1.569 0.004 . 1 . . . . 17 LYS HB2 . 15812 1 201 . 1 1 17 17 LYS HB3 H 1 1.756 0.001 . 1 . . . . 17 LYS HB3 . 15812 1 202 . 1 1 17 17 LYS HD2 H 1 1.700 0.000 . 2 . . . . 17 LYS HD2 . 15812 1 203 . 1 1 17 17 LYS HD3 H 1 1.700 0.000 . 2 . . . . 17 LYS HD3 . 15812 1 204 . 1 1 17 17 LYS HE2 H 1 2.917 0.000 . 2 . . . . 17 LYS HE2 . 15812 1 205 . 1 1 17 17 LYS HE3 H 1 2.923 0.000 . 2 . . . . 17 LYS HE3 . 15812 1 206 . 1 1 17 17 LYS HG2 H 1 1.235 0.001 . 2 . . . . 17 LYS HG2 . 15812 1 207 . 1 1 17 17 LYS HG3 H 1 1.229 0.000 . 2 . . . . 17 LYS HG3 . 15812 1 208 . 1 1 17 17 LYS C C 13 176.161 0.000 . 1 . . . . 17 LYS C . 15812 1 209 . 1 1 17 17 LYS CA C 13 53.825 0.000 . 1 . . . . 17 LYS CA . 15812 1 210 . 1 1 17 17 LYS CB C 13 36.381 0.000 . 1 . . . . 17 LYS CB . 15812 1 211 . 1 1 17 17 LYS CD C 13 29.571 0.000 . 1 . . . . 17 LYS CD . 15812 1 212 . 1 1 17 17 LYS CE C 13 41.780 0.000 . 1 . . . . 17 LYS CE . 15812 1 213 . 1 1 17 17 LYS CG C 13 24.730 0.000 . 1 . . . . 17 LYS CG . 15812 1 214 . 1 1 17 17 LYS N N 15 120.236 0.000 . 1 . . . . 17 LYS N . 15812 1 215 . 1 1 18 18 VAL H H 1 8.775 0.004 . 1 . . . . 18 VAL H . 15812 1 216 . 1 1 18 18 VAL HA H 1 3.893 0.006 . 1 . . . . 18 VAL HA . 15812 1 217 . 1 1 18 18 VAL HB H 1 2.298 0.005 . 1 . . . . 18 VAL HB . 15812 1 218 . 1 1 18 18 VAL HG11 H 1 0.868 0.007 . 2 . . . . 18 VAL QG1 . 15812 1 219 . 1 1 18 18 VAL HG12 H 1 0.868 0.007 . 2 . . . . 18 VAL QG1 . 15812 1 220 . 1 1 18 18 VAL HG13 H 1 0.868 0.007 . 2 . . . . 18 VAL QG1 . 15812 1 221 . 1 1 18 18 VAL HG21 H 1 0.646 0.006 . 2 . . . . 18 VAL QG2 . 15812 1 222 . 1 1 18 18 VAL HG22 H 1 0.646 0.006 . 2 . . . . 18 VAL QG2 . 15812 1 223 . 1 1 18 18 VAL HG23 H 1 0.646 0.006 . 2 . . . . 18 VAL QG2 . 15812 1 224 . 1 1 18 18 VAL C C 13 176.805 0.000 . 1 . . . . 18 VAL C . 15812 1 225 . 1 1 18 18 VAL CA C 13 64.232 0.008 . 1 . . . . 18 VAL CA . 15812 1 226 . 1 1 18 18 VAL CB C 13 31.949 0.000 . 1 . . . . 18 VAL CB . 15812 1 227 . 1 1 18 18 VAL CG1 C 13 22.943 0.000 . 1 . . . . 18 VAL CG1 . 15812 1 228 . 1 1 18 18 VAL CG2 C 13 20.831 0.000 . 1 . . . . 18 VAL CG2 . 15812 1 229 . 1 1 18 18 VAL N N 15 125.036 0.074 . 1 . . . . 18 VAL N . 15812 1 230 . 1 1 19 19 ILE H H 1 9.715 0.002 . 1 . . . . 19 ILE H . 15812 1 231 . 1 1 19 19 ILE HA H 1 4.294 0.002 . 1 . . . . 19 ILE HA . 15812 1 232 . 1 1 19 19 ILE HB H 1 1.670 0.002 . 1 . . . . 19 ILE HB . 15812 1 233 . 1 1 19 19 ILE HD11 H 1 0.699 0.004 . 1 . . . . 19 ILE QD1 . 15812 1 234 . 1 1 19 19 ILE HD12 H 1 0.699 0.004 . 1 . . . . 19 ILE QD1 . 15812 1 235 . 1 1 19 19 ILE HD13 H 1 0.699 0.004 . 1 . . . . 19 ILE QD1 . 15812 1 236 . 1 1 19 19 ILE HG12 H 1 1.331 0.002 . 2 . . . . 19 ILE HG12 . 15812 1 237 . 1 1 19 19 ILE HG13 H 1 1.009 0.003 . 2 . . . . 19 ILE HG13 . 15812 1 238 . 1 1 19 19 ILE HG21 H 1 0.855 0.000 . 1 . . . . 19 ILE QG2 . 15812 1 239 . 1 1 19 19 ILE HG22 H 1 0.855 0.000 . 1 . . . . 19 ILE QG2 . 15812 1 240 . 1 1 19 19 ILE HG23 H 1 0.855 0.000 . 1 . . . . 19 ILE QG2 . 15812 1 241 . 1 1 19 19 ILE C C 13 176.136 0.000 . 1 . . . . 19 ILE C . 15812 1 242 . 1 1 19 19 ILE CA C 13 61.611 0.152 . 1 . . . . 19 ILE CA . 15812 1 243 . 1 1 19 19 ILE CB C 13 38.985 0.000 . 1 . . . . 19 ILE CB . 15812 1 244 . 1 1 19 19 ILE CD1 C 13 13.410 0.000 . 1 . . . . 19 ILE CD1 . 15812 1 245 . 1 1 19 19 ILE CG1 C 13 27.279 0.000 . 1 . . . . 19 ILE CG1 . 15812 1 246 . 1 1 19 19 ILE CG2 C 13 17.360 0.000 . 1 . . . . 19 ILE CG2 . 15812 1 247 . 1 1 19 19 ILE N N 15 129.603 0.000 . 1 . . . . 19 ILE N . 15812 1 248 . 1 1 20 20 GLY H H 1 7.668 0.003 . 1 . . . . 20 GLY H . 15812 1 249 . 1 1 20 20 GLY HA2 H 1 4.133 0.006 . 2 . . . . 20 GLY HA2 . 15812 1 250 . 1 1 20 20 GLY HA3 H 1 3.912 0.005 . 2 . . . . 20 GLY HA3 . 15812 1 251 . 1 1 20 20 GLY C C 13 169.248 0.000 . 1 . . . . 20 GLY C . 15812 1 252 . 1 1 20 20 GLY CA C 13 45.330 0.048 . 1 . . . . 20 GLY CA . 15812 1 253 . 1 1 20 20 GLY N N 15 106.679 0.000 . 1 . . . . 20 GLY N . 15812 1 254 . 1 1 21 21 ILE H H 1 8.257 0.000 . 1 . . . . 21 ILE H . 15812 1 255 . 1 1 21 21 ILE HA H 1 4.946 0.000 . 1 . . . . 21 ILE HA . 15812 1 256 . 1 1 21 21 ILE HB H 1 1.608 0.002 . 1 . . . . 21 ILE HB . 15812 1 257 . 1 1 21 21 ILE HD11 H 1 0.897 0.002 . 1 . . . . 21 ILE QD1 . 15812 1 258 . 1 1 21 21 ILE HD12 H 1 0.897 0.002 . 1 . . . . 21 ILE QD1 . 15812 1 259 . 1 1 21 21 ILE HD13 H 1 0.897 0.002 . 1 . . . . 21 ILE QD1 . 15812 1 260 . 1 1 21 21 ILE HG12 H 1 1.465 0.001 . 2 . . . . 21 ILE HG12 . 15812 1 261 . 1 1 21 21 ILE HG13 H 1 1.098 0.000 . 2 . . . . 21 ILE HG13 . 15812 1 262 . 1 1 21 21 ILE HG21 H 1 1.027 0.007 . 1 . . . . 21 ILE QG2 . 15812 1 263 . 1 1 21 21 ILE HG22 H 1 1.027 0.007 . 1 . . . . 21 ILE QG2 . 15812 1 264 . 1 1 21 21 ILE HG23 H 1 1.027 0.007 . 1 . . . . 21 ILE QG2 . 15812 1 265 . 1 1 21 21 ILE C C 13 177.028 0.000 . 1 . . . . 21 ILE C . 15812 1 266 . 1 1 21 21 ILE CA C 13 58.925 0.000 . 1 . . . . 21 ILE CA . 15812 1 267 . 1 1 21 21 ILE CB C 13 40.006 0.000 . 1 . . . . 21 ILE CB . 15812 1 268 . 1 1 21 21 ILE CD1 C 13 14.031 0.000 . 1 . . . . 21 ILE CD1 . 15812 1 269 . 1 1 21 21 ILE CG1 C 13 29.081 0.000 . 1 . . . . 21 ILE CG1 . 15812 1 270 . 1 1 21 21 ILE CG2 C 13 17.765 0.000 . 1 . . . . 21 ILE CG2 . 15812 1 271 . 1 1 21 21 ILE N N 15 121.078 0.000 . 1 . . . . 21 ILE N . 15812 1 272 . 1 1 22 22 VAL H H 1 8.837 0.005 . 1 . . . . 22 VAL H . 15812 1 273 . 1 1 22 22 VAL HA H 1 4.086 0.004 . 1 . . . . 22 VAL HA . 15812 1 274 . 1 1 22 22 VAL HB H 1 2.230 0.000 . 1 . . . . 22 VAL HB . 15812 1 275 . 1 1 22 22 VAL HG11 H 1 1.056 0.000 . 2 . . . . 22 VAL QG1 . 15812 1 276 . 1 1 22 22 VAL HG12 H 1 1.056 0.000 . 2 . . . . 22 VAL QG1 . 15812 1 277 . 1 1 22 22 VAL HG13 H 1 1.056 0.000 . 2 . . . . 22 VAL QG1 . 15812 1 278 . 1 1 22 22 VAL HG21 H 1 1.053 0.000 . 2 . . . . 22 VAL QG2 . 15812 1 279 . 1 1 22 22 VAL HG22 H 1 1.053 0.000 . 2 . . . . 22 VAL QG2 . 15812 1 280 . 1 1 22 22 VAL HG23 H 1 1.053 0.000 . 2 . . . . 22 VAL QG2 . 15812 1 281 . 1 1 22 22 VAL CA C 13 61.678 0.000 . 1 . . . . 22 VAL CA . 15812 1 282 . 1 1 22 22 VAL CB C 13 31.138 0.000 . 1 . . . . 22 VAL CB . 15812 1 283 . 1 1 22 22 VAL CG1 C 13 20.408 0.000 . 1 . . . . 22 VAL CG1 . 15812 1 284 . 1 1 22 22 VAL CG2 C 13 21.126 0.000 . 1 . . . . 22 VAL CG2 . 15812 1 285 . 1 1 22 22 VAL N N 15 127.352 0.000 . 1 . . . . 22 VAL N . 15812 1 286 . 1 1 23 23 PRO HA H 1 4.184 0.002 . 1 . . . . 23 PRO HA . 15812 1 287 . 1 1 23 23 PRO HB2 H 1 2.339 0.000 . 2 . . . . 23 PRO HB2 . 15812 1 288 . 1 1 23 23 PRO HB3 H 1 1.955 0.000 . 2 . . . . 23 PRO HB3 . 15812 1 289 . 1 1 23 23 PRO HD2 H 1 3.869 0.002 . 2 . . . . 23 PRO HD2 . 15812 1 290 . 1 1 23 23 PRO HD3 H 1 3.790 0.003 . 2 . . . . 23 PRO HD3 . 15812 1 291 . 1 1 23 23 PRO HG2 H 1 2.049 0.005 . 2 . . . . 23 PRO HG2 . 15812 1 292 . 1 1 23 23 PRO HG3 H 1 2.149 0.001 . 2 . . . . 23 PRO HG3 . 15812 1 293 . 1 1 23 23 PRO C C 13 178.143 0.000 . 1 . . . . 23 PRO C . 15812 1 294 . 1 1 23 23 PRO CA C 13 65.072 0.000 . 1 . . . . 23 PRO CA . 15812 1 295 . 1 1 23 23 PRO CB C 13 31.740 0.000 . 1 . . . . 23 PRO CB . 15812 1 296 . 1 1 23 23 PRO CD C 13 51.070 0.000 . 1 . . . . 23 PRO CD . 15812 1 297 . 1 1 23 23 PRO CG C 13 27.589 0.077 . 1 . . . . 23 PRO CG . 15812 1 298 . 1 1 24 24 GLU H H 1 8.767 0.000 . 1 . . . . 24 GLU H . 15812 1 299 . 1 1 24 24 GLU HA H 1 4.249 0.000 . 1 . . . . 24 GLU HA . 15812 1 300 . 1 1 24 24 GLU HB2 H 1 2.034 0.007 . 2 . . . . 24 GLU HB2 . 15812 1 301 . 1 1 24 24 GLU HB3 H 1 2.143 0.000 . 2 . . . . 24 GLU HB3 . 15812 1 302 . 1 1 24 24 GLU HG2 H 1 2.242 0.000 . 2 . . . . 24 GLU HG2 . 15812 1 303 . 1 1 24 24 GLU HG3 H 1 2.245 0.000 . 2 . . . . 24 GLU HG3 . 15812 1 304 . 1 1 24 24 GLU C C 13 176.384 0.000 . 1 . . . . 24 GLU C . 15812 1 305 . 1 1 24 24 GLU CA C 13 56.477 0.000 . 1 . . . . 24 GLU CA . 15812 1 306 . 1 1 24 24 GLU CB C 13 27.934 0.000 . 1 . . . . 24 GLU CB . 15812 1 307 . 1 1 24 24 GLU CG C 13 36.115 0.000 . 1 . . . . 24 GLU CG . 15812 1 308 . 1 1 24 24 GLU N N 15 115.232 0.000 . 1 . . . . 24 GLU N . 15812 1 309 . 1 1 25 25 SER H H 1 7.522 0.001 . 1 . . . . 25 SER H . 15812 1 310 . 1 1 25 25 SER HA H 1 4.126 0.001 . 1 . . . . 25 SER HA . 15812 1 311 . 1 1 25 25 SER HB2 H 1 3.915 0.008 . 2 . . . . 25 SER HB2 . 15812 1 312 . 1 1 25 25 SER HB3 H 1 3.532 0.003 . 2 . . . . 25 SER HB3 . 15812 1 313 . 1 1 25 25 SER C C 13 178.317 0.000 . 1 . . . . 25 SER C . 15812 1 314 . 1 1 25 25 SER CA C 13 59.027 0.000 . 1 . . . . 25 SER CA . 15812 1 315 . 1 1 25 25 SER CB C 13 64.276 0.106 . 1 . . . . 25 SER CB . 15812 1 316 . 1 1 25 25 SER N N 15 114.047 0.000 . 1 . . . . 25 SER N . 15812 1 317 . 1 1 26 26 LYS H H 1 9.517 0.002 . 1 . . . . 26 LYS H . 15812 1 318 . 1 1 26 26 LYS HA H 1 4.395 0.001 . 1 . . . . 26 LYS HA . 15812 1 319 . 1 1 26 26 LYS HB2 H 1 1.831 0.000 . 2 . . . . 26 LYS HB2 . 15812 1 320 . 1 1 26 26 LYS HB3 H 1 2.099 0.000 . 2 . . . . 26 LYS HB3 . 15812 1 321 . 1 1 26 26 LYS HD2 H 1 1.721 0.000 . 2 . . . . 26 LYS HD2 . 15812 1 322 . 1 1 26 26 LYS HD3 H 1 1.747 0.000 . 2 . . . . 26 LYS HD3 . 15812 1 323 . 1 1 26 26 LYS HE2 H 1 3.056 0.000 . 2 . . . . 26 LYS HE2 . 15812 1 324 . 1 1 26 26 LYS HE3 H 1 3.046 0.000 . 2 . . . . 26 LYS HE3 . 15812 1 325 . 1 1 26 26 LYS HG2 H 1 1.592 0.000 . 2 . . . . 26 LYS HG2 . 15812 1 326 . 1 1 26 26 LYS HG3 H 1 1.659 0.000 . 2 . . . . 26 LYS HG3 . 15812 1 327 . 1 1 26 26 LYS C C 13 177.524 0.000 . 1 . . . . 26 LYS C . 15812 1 328 . 1 1 26 26 LYS CA C 13 57.089 0.000 . 1 . . . . 26 LYS CA . 15812 1 329 . 1 1 26 26 LYS CB C 13 32.457 0.000 . 1 . . . . 26 LYS CB . 15812 1 330 . 1 1 26 26 LYS CD C 13 28.680 0.000 . 1 . . . . 26 LYS CD . 15812 1 331 . 1 1 26 26 LYS CE C 13 42.081 0.000 . 1 . . . . 26 LYS CE . 15812 1 332 . 1 1 26 26 LYS CG C 13 25.258 0.000 . 1 . . . . 26 LYS CG . 15812 1 333 . 1 1 26 26 LYS N N 15 129.304 0.000 . 1 . . . . 26 LYS N . 15812 1 334 . 1 1 27 27 VAL H H 1 8.137 0.003 . 1 . . . . 27 VAL H . 15812 1 335 . 1 1 27 27 VAL HA H 1 4.848 0.003 . 1 . . . . 27 VAL HA . 15812 1 336 . 1 1 27 27 VAL HB H 1 2.570 0.004 . 1 . . . . 27 VAL HB . 15812 1 337 . 1 1 27 27 VAL HG11 H 1 0.916 0.000 . 1 . . . . 27 VAL QG1 . 15812 1 338 . 1 1 27 27 VAL HG12 H 1 0.916 0.000 . 1 . . . . 27 VAL QG1 . 15812 1 339 . 1 1 27 27 VAL HG13 H 1 0.916 0.000 . 1 . . . . 27 VAL QG1 . 15812 1 340 . 1 1 27 27 VAL HG21 H 1 0.864 0.007 . 1 . . . . 27 VAL QG2 . 15812 1 341 . 1 1 27 27 VAL HG22 H 1 0.864 0.007 . 1 . . . . 27 VAL QG2 . 15812 1 342 . 1 1 27 27 VAL HG23 H 1 0.864 0.007 . 1 . . . . 27 VAL QG2 . 15812 1 343 . 1 1 27 27 VAL C C 13 174.972 0.000 . 1 . . . . 27 VAL C . 15812 1 344 . 1 1 27 27 VAL CA C 13 59.792 0.000 . 1 . . . . 27 VAL CA . 15812 1 345 . 1 1 27 27 VAL CB C 13 31.182 0.000 . 1 . . . . 27 VAL CB . 15812 1 346 . 1 1 27 27 VAL CG1 C 13 20.981 0.000 . 1 . . . . 27 VAL CG1 . 15812 1 347 . 1 1 27 27 VAL CG2 C 13 18.890 0.000 . 1 . . . . 27 VAL CG2 . 15812 1 348 . 1 1 27 27 VAL N N 15 110.797 0.000 . 1 . . . . 27 VAL N . 15812 1 349 . 1 1 28 28 ARG H H 1 6.969 0.007 . 1 . . . . 28 ARG H . 15812 1 350 . 1 1 28 28 ARG HA H 1 3.714 0.005 . 1 . . . . 28 ARG HA . 15812 1 351 . 1 1 28 28 ARG HB2 H 1 1.842 0.007 . 2 . . . . 28 ARG HB2 . 15812 1 352 . 1 1 28 28 ARG HB3 H 1 1.824 0.006 . 2 . . . . 28 ARG HB3 . 15812 1 353 . 1 1 28 28 ARG HD2 H 1 3.276 0.000 . 2 . . . . 28 ARG HD2 . 15812 1 354 . 1 1 28 28 ARG HD3 H 1 3.276 0.000 . 2 . . . . 28 ARG HD3 . 15812 1 355 . 1 1 28 28 ARG HG2 H 1 1.547 0.000 . 1 . . . . 28 ARG HG2 . 15812 1 356 . 1 1 28 28 ARG HG3 H 1 1.552 0.000 . 1 . . . . 28 ARG HG3 . 15812 1 357 . 1 1 28 28 ARG C C 13 177.078 0.000 . 1 . . . . 28 ARG C . 15812 1 358 . 1 1 28 28 ARG CA C 13 60.404 0.000 . 1 . . . . 28 ARG CA . 15812 1 359 . 1 1 28 28 ARG CB C 13 30.733 0.000 . 1 . . . . 28 ARG CB . 15812 1 360 . 1 1 28 28 ARG CD C 13 43.100 0.000 . 1 . . . . 28 ARG CD . 15812 1 361 . 1 1 28 28 ARG CG C 13 27.459 0.000 . 1 . . . . 28 ARG CG . 15812 1 362 . 1 1 28 28 ARG N N 15 121.119 0.000 . 1 . . . . 28 ARG N . 15812 1 363 . 1 1 29 29 ARG H H 1 8.449 0.000 . 1 . . . . 29 ARG H . 15812 1 364 . 1 1 29 29 ARG HA H 1 3.970 0.002 . 1 . . . . 29 ARG HA . 15812 1 365 . 1 1 29 29 ARG HB2 H 1 1.854 0.000 . 2 . . . . 29 ARG HB2 . 15812 1 366 . 1 1 29 29 ARG HB3 H 1 1.835 0.000 . 2 . . . . 29 ARG HB3 . 15812 1 367 . 1 1 29 29 ARG HD2 H 1 3.212 0.000 . 2 . . . . 29 ARG HD2 . 15812 1 368 . 1 1 29 29 ARG HD3 H 1 3.213 0.000 . 2 . . . . 29 ARG HD3 . 15812 1 369 . 1 1 29 29 ARG HG2 H 1 1.657 0.000 . 2 . . . . 29 ARG HG2 . 15812 1 370 . 1 1 29 29 ARG HG3 H 1 1.687 0.000 . 2 . . . . 29 ARG HG3 . 15812 1 371 . 1 1 29 29 ARG C C 13 177.276 0.000 . 1 . . . . 29 ARG C . 15812 1 372 . 1 1 29 29 ARG CA C 13 58.668 0.000 . 1 . . . . 29 ARG CA . 15812 1 373 . 1 1 29 29 ARG CB C 13 29.277 0.000 . 1 . . . . 29 ARG CB . 15812 1 374 . 1 1 29 29 ARG CD C 13 42.927 0.000 . 1 . . . . 29 ARG CD . 15812 1 375 . 1 1 29 29 ARG CG C 13 26.508 0.000 . 1 . . . . 29 ARG CG . 15812 1 376 . 1 1 29 29 ARG N N 15 117.259 0.000 . 1 . . . . 29 ARG N . 15812 1 377 . 1 1 30 30 LYS H H 1 7.481 0.001 . 1 . . . . 30 LYS H . 15812 1 378 . 1 1 30 30 LYS HA H 1 4.000 0.004 . 1 . . . . 30 LYS HA . 15812 1 379 . 1 1 30 30 LYS HB2 H 1 1.839 0.000 . 2 . . . . 30 LYS HB2 . 15812 1 380 . 1 1 30 30 LYS HB3 H 1 1.951 0.003 . 2 . . . . 30 LYS HB3 . 15812 1 381 . 1 1 30 30 LYS HD2 H 1 1.609 0.003 . 2 . . . . 30 LYS HD2 . 15812 1 382 . 1 1 30 30 LYS HD3 H 1 1.678 0.000 . 2 . . . . 30 LYS HD3 . 15812 1 383 . 1 1 30 30 LYS HE2 H 1 2.916 0.000 . 2 . . . . 30 LYS HE2 . 15812 1 384 . 1 1 30 30 LYS HE3 H 1 2.916 0.000 . 2 . . . . 30 LYS HE3 . 15812 1 385 . 1 1 30 30 LYS HG2 H 1 1.273 0.002 . 1 . . . . 30 LYS HG2 . 15812 1 386 . 1 1 30 30 LYS HG3 H 1 1.490 0.005 . 1 . . . . 30 LYS HG3 . 15812 1 387 . 1 1 30 30 LYS C C 13 178.961 0.000 . 1 . . . . 30 LYS C . 15812 1 388 . 1 1 30 30 LYS CA C 13 59.282 0.000 . 1 . . . . 30 LYS CA . 15812 1 389 . 1 1 30 30 LYS CB C 13 32.405 0.000 . 1 . . . . 30 LYS CB . 15812 1 390 . 1 1 30 30 LYS CD C 13 29.576 0.000 . 1 . . . . 30 LYS CD . 15812 1 391 . 1 1 30 30 LYS CE C 13 41.780 0.000 . 1 . . . . 30 LYS CE . 15812 1 392 . 1 1 30 30 LYS CG C 13 25.034 0.000 . 1 . . . . 30 LYS CG . 15812 1 393 . 1 1 30 30 LYS N N 15 119.731 0.000 . 1 . . . . 30 LYS N . 15812 1 394 . 1 1 31 31 ILE H H 1 8.018 0.002 . 1 . . . . 31 ILE H . 15812 1 395 . 1 1 31 31 ILE HA H 1 3.676 0.004 . 1 . . . . 31 ILE HA . 15812 1 396 . 1 1 31 31 ILE HB H 1 1.921 0.004 . 1 . . . . 31 ILE HB . 15812 1 397 . 1 1 31 31 ILE HD11 H 1 0.770 0.007 . 1 . . . . 31 ILE QD1 . 15812 1 398 . 1 1 31 31 ILE HD12 H 1 0.770 0.007 . 1 . . . . 31 ILE QD1 . 15812 1 399 . 1 1 31 31 ILE HD13 H 1 0.770 0.007 . 1 . . . . 31 ILE QD1 . 15812 1 400 . 1 1 31 31 ILE HG12 H 1 1.731 0.004 . 2 . . . . 31 ILE HG12 . 15812 1 401 . 1 1 31 31 ILE HG13 H 1 0.937 0.000 . 2 . . . . 31 ILE HG13 . 15812 1 402 . 1 1 31 31 ILE HG21 H 1 0.933 0.004 . 1 . . . . 31 ILE QG2 . 15812 1 403 . 1 1 31 31 ILE HG22 H 1 0.933 0.004 . 1 . . . . 31 ILE QG2 . 15812 1 404 . 1 1 31 31 ILE HG23 H 1 0.933 0.004 . 1 . . . . 31 ILE QG2 . 15812 1 405 . 1 1 31 31 ILE C C 13 178.490 0.000 . 1 . . . . 31 ILE C . 15812 1 406 . 1 1 31 31 ILE CA C 13 65.045 0.000 . 1 . . . . 31 ILE CA . 15812 1 407 . 1 1 31 31 ILE CB C 13 38.590 0.180 . 1 . . . . 31 ILE CB . 15812 1 408 . 1 1 31 31 ILE CD1 C 13 13.696 0.021 . 1 . . . . 31 ILE CD1 . 15812 1 409 . 1 1 31 31 ILE CG1 C 13 28.998 0.000 . 1 . . . . 31 ILE CG1 . 15812 1 410 . 1 1 31 31 ILE CG2 C 13 18.795 0.000 . 1 . . . . 31 ILE CG2 . 15812 1 411 . 1 1 31 31 ILE N N 15 117.703 0.000 . 1 . . . . 31 ILE N . 15812 1 412 . 1 1 32 32 MET H H 1 8.222 0.003 . 1 . . . . 32 MET H . 15812 1 413 . 1 1 32 32 MET HA H 1 4.177 0.004 . 1 . . . . 32 MET HA . 15812 1 414 . 1 1 32 32 MET HB2 H 1 2.068 0.002 . 2 . . . . 32 MET HB2 . 15812 1 415 . 1 1 32 32 MET HB3 H 1 2.086 0.005 . 2 . . . . 32 MET HB3 . 15812 1 416 . 1 1 32 32 MET HE1 H 1 2.113 0.000 . 1 . . . . 32 MET QE . 15812 1 417 . 1 1 32 32 MET HE2 H 1 2.113 0.000 . 1 . . . . 32 MET QE . 15812 1 418 . 1 1 32 32 MET HE3 H 1 2.113 0.000 . 1 . . . . 32 MET QE . 15812 1 419 . 1 1 32 32 MET HG2 H 1 2.549 0.000 . 2 . . . . 32 MET HG2 . 15812 1 420 . 1 1 32 32 MET HG3 H 1 2.817 0.009 . 2 . . . . 32 MET HG3 . 15812 1 421 . 1 1 32 32 MET C C 13 181.092 0.000 . 1 . . . . 32 MET C . 15812 1 422 . 1 1 32 32 MET CA C 13 59.282 0.000 . 1 . . . . 32 MET CA . 15812 1 423 . 1 1 32 32 MET CB C 13 32.505 0.012 . 1 . . . . 32 MET CB . 15812 1 424 . 1 1 32 32 MET CE C 13 16.500 0.000 . 1 . . . . 32 MET CE . 15812 1 425 . 1 1 32 32 MET CG C 13 32.070 0.000 . 1 . . . . 32 MET CG . 15812 1 426 . 1 1 32 32 MET N N 15 119.309 0.000 . 1 . . . . 32 MET N . 15812 1 427 . 1 1 33 33 ASP H H 1 8.723 0.002 . 1 . . . . 33 ASP H . 15812 1 428 . 1 1 33 33 ASP HA H 1 4.429 0.001 . 1 . . . . 33 ASP HA . 15812 1 429 . 1 1 33 33 ASP HB2 H 1 2.648 0.002 . 1 . . . . 33 ASP HB2 . 15812 1 430 . 1 1 33 33 ASP HB3 H 1 2.871 0.005 . 1 . . . . 33 ASP HB3 . 15812 1 431 . 1 1 33 33 ASP C C 13 178.242 0.000 . 1 . . . . 33 ASP C . 15812 1 432 . 1 1 33 33 ASP CA C 13 56.718 0.000 . 1 . . . . 33 ASP CA . 15812 1 433 . 1 1 33 33 ASP CB C 13 39.865 0.136 . 1 . . . . 33 ASP CB . 15812 1 434 . 1 1 33 33 ASP N N 15 121.966 0.000 . 1 . . . . 33 ASP N . 15812 1 435 . 1 1 34 34 MET H H 1 7.565 0.001 . 1 . . . . 34 MET H . 15812 1 436 . 1 1 34 34 MET HA H 1 4.311 0.000 . 1 . . . . 34 MET HA . 15812 1 437 . 1 1 34 34 MET HB2 H 1 2.271 0.005 . 2 . . . . 34 MET HB2 . 15812 1 438 . 1 1 34 34 MET HB3 H 1 2.307 0.003 . 2 . . . . 34 MET HB3 . 15812 1 439 . 1 1 34 34 MET HE1 H 1 2.069 0.004 . 1 . . . . 34 MET QE . 15812 1 440 . 1 1 34 34 MET HE2 H 1 2.069 0.004 . 1 . . . . 34 MET QE . 15812 1 441 . 1 1 34 34 MET HE3 H 1 2.069 0.004 . 1 . . . . 34 MET QE . 15812 1 442 . 1 1 34 34 MET HG2 H 1 2.636 0.004 . 2 . . . . 34 MET HG2 . 15812 1 443 . 1 1 34 34 MET HG3 H 1 2.949 0.003 . 2 . . . . 34 MET HG3 . 15812 1 444 . 1 1 34 34 MET C C 13 176.012 0.000 . 1 . . . . 34 MET C . 15812 1 445 . 1 1 34 34 MET CA C 13 56.987 0.000 . 1 . . . . 34 MET CA . 15812 1 446 . 1 1 34 34 MET CB C 13 33.547 0.000 . 1 . . . . 34 MET CB . 15812 1 447 . 1 1 34 34 MET CE C 13 17.800 0.000 . 1 . . . . 34 MET CE . 15812 1 448 . 1 1 34 34 MET CG C 13 32.399 0.000 . 1 . . . . 34 MET CG . 15812 1 449 . 1 1 34 34 MET N N 15 117.672 0.000 . 1 . . . . 34 MET N . 15812 1 450 . 1 1 35 35 GLY H H 1 8.069 0.002 . 1 . . . . 35 GLY H . 15812 1 451 . 1 1 35 35 GLY HA2 H 1 3.665 0.000 . 1 . . . . 35 GLY HA2 . 15812 1 452 . 1 1 35 35 GLY HA3 H 1 4.224 0.001 . 1 . . . . 35 GLY HA3 . 15812 1 453 . 1 1 35 35 GLY C C 13 173.460 0.000 . 1 . . . . 35 GLY C . 15812 1 454 . 1 1 35 35 GLY CA C 13 44.442 0.000 . 1 . . . . 35 GLY CA . 15812 1 455 . 1 1 35 35 GLY N N 15 105.405 0.000 . 1 . . . . 35 GLY N . 15812 1 456 . 1 1 36 36 ILE H H 1 7.173 0.002 . 1 . . . . 36 ILE H . 15812 1 457 . 1 1 36 36 ILE HA H 1 3.791 0.006 . 1 . . . . 36 ILE HA . 15812 1 458 . 1 1 36 36 ILE HB H 1 1.918 0.005 . 1 . . . . 36 ILE HB . 15812 1 459 . 1 1 36 36 ILE HD11 H 1 0.742 0.006 . 1 . . . . 36 ILE QD1 . 15812 1 460 . 1 1 36 36 ILE HD12 H 1 0.742 0.006 . 1 . . . . 36 ILE QD1 . 15812 1 461 . 1 1 36 36 ILE HD13 H 1 0.742 0.006 . 1 . . . . 36 ILE QD1 . 15812 1 462 . 1 1 36 36 ILE HG12 H 1 1.438 0.003 . 2 . . . . 36 ILE HG12 . 15812 1 463 . 1 1 36 36 ILE HG13 H 1 0.626 0.004 . 2 . . . . 36 ILE HG13 . 15812 1 464 . 1 1 36 36 ILE HG21 H 1 0.675 0.004 . 1 . . . . 36 ILE QG2 . 15812 1 465 . 1 1 36 36 ILE HG22 H 1 0.675 0.004 . 1 . . . . 36 ILE QG2 . 15812 1 466 . 1 1 36 36 ILE HG23 H 1 0.675 0.004 . 1 . . . . 36 ILE QG2 . 15812 1 467 . 1 1 36 36 ILE C C 13 171.725 0.000 . 1 . . . . 36 ILE C . 15812 1 468 . 1 1 36 36 ILE CA C 13 62.036 0.000 . 1 . . . . 36 ILE CA . 15812 1 469 . 1 1 36 36 ILE CB C 13 35.823 0.000 . 1 . . . . 36 ILE CB . 15812 1 470 . 1 1 36 36 ILE CD1 C 13 13.264 0.000 . 1 . . . . 36 ILE CD1 . 15812 1 471 . 1 1 36 36 ILE CG1 C 13 27.942 0.000 . 1 . . . . 36 ILE CG1 . 15812 1 472 . 1 1 36 36 ILE CG2 C 13 18.312 0.212 . 1 . . . . 36 ILE CG2 . 15812 1 473 . 1 1 36 36 ILE N N 15 121.152 0.000 . 1 . . . . 36 ILE N . 15812 1 474 . 1 1 37 37 VAL H H 1 7.153 0.001 . 1 . . . . 37 VAL H . 15812 1 475 . 1 1 37 37 VAL HA H 1 4.632 0.003 . 1 . . . . 37 VAL HA . 15812 1 476 . 1 1 37 37 VAL HB H 1 2.250 0.000 . 1 . . . . 37 VAL HB . 15812 1 477 . 1 1 37 37 VAL HG11 H 1 0.863 0.007 . 1 . . . . 37 VAL QG1 . 15812 1 478 . 1 1 37 37 VAL HG12 H 1 0.863 0.007 . 1 . . . . 37 VAL QG1 . 15812 1 479 . 1 1 37 37 VAL HG13 H 1 0.863 0.007 . 1 . . . . 37 VAL QG1 . 15812 1 480 . 1 1 37 37 VAL HG21 H 1 0.686 0.005 . 1 . . . . 37 VAL QG2 . 15812 1 481 . 1 1 37 37 VAL HG22 H 1 0.686 0.005 . 1 . . . . 37 VAL QG2 . 15812 1 482 . 1 1 37 37 VAL HG23 H 1 0.686 0.005 . 1 . . . . 37 VAL QG2 . 15812 1 483 . 1 1 37 37 VAL C C 13 176.434 0.000 . 1 . . . . 37 VAL C . 15812 1 484 . 1 1 37 37 VAL CA C 13 57.650 0.000 . 1 . . . . 37 VAL CA . 15812 1 485 . 1 1 37 37 VAL CB C 13 36.078 0.000 . 1 . . . . 37 VAL CB . 15812 1 486 . 1 1 37 37 VAL CG1 C 13 22.074 0.000 . 1 . . . . 37 VAL CG1 . 15812 1 487 . 1 1 37 37 VAL CG2 C 13 17.925 0.157 . 1 . . . . 37 VAL CG2 . 15812 1 488 . 1 1 37 37 VAL N N 15 114.165 0.000 . 1 . . . . 37 VAL N . 15812 1 489 . 1 1 38 38 ARG H H 1 8.769 0.000 . 1 . . . . 38 ARG H . 15812 1 490 . 1 1 38 38 ARG HA H 1 3.545 0.000 . 1 . . . . 38 ARG HA . 15812 1 491 . 1 1 38 38 ARG HB2 H 1 1.759 0.000 . 2 . . . . 38 ARG HB2 . 15812 1 492 . 1 1 38 38 ARG HB3 H 1 1.759 0.000 . 2 . . . . 38 ARG HB3 . 15812 1 493 . 1 1 38 38 ARG HD2 H 1 3.254 0.000 . 2 . . . . 38 ARG HD2 . 15812 1 494 . 1 1 38 38 ARG HD3 H 1 3.248 0.000 . 2 . . . . 38 ARG HD3 . 15812 1 495 . 1 1 38 38 ARG HG2 H 1 1.458 0.004 . 2 . . . . 38 ARG HG2 . 15812 1 496 . 1 1 38 38 ARG HG3 H 1 1.733 0.007 . 2 . . . . 38 ARG HG3 . 15812 1 497 . 1 1 38 38 ARG C C 13 176.805 0.000 . 1 . . . . 38 ARG C . 15812 1 498 . 1 1 38 38 ARG CA C 13 58.823 0.000 . 1 . . . . 38 ARG CA . 15812 1 499 . 1 1 38 38 ARG CB C 13 29.647 0.000 . 1 . . . . 38 ARG CB . 15812 1 500 . 1 1 38 38 ARG CD C 13 43.551 0.000 . 1 . . . . 38 ARG CD . 15812 1 501 . 1 1 38 38 ARG CG C 13 27.189 0.105 . 1 . . . . 38 ARG CG . 15812 1 502 . 1 1 38 38 ARG N N 15 122.336 0.000 . 1 . . . . 38 ARG N . 15812 1 503 . 1 1 39 39 GLY H H 1 9.129 0.001 . 1 . . . . 39 GLY H . 15812 1 504 . 1 1 39 39 GLY HA2 H 1 4.495 0.000 . 2 . . . . 39 GLY HA2 . 15812 1 505 . 1 1 39 39 GLY HA3 H 1 3.497 0.000 . 2 . . . . 39 GLY HA3 . 15812 1 506 . 1 1 39 39 GLY C C 13 174.253 0.000 . 1 . . . . 39 GLY C . 15812 1 507 . 1 1 39 39 GLY CA C 13 44.773 0.000 . 1 . . . . 39 GLY CA . 15812 1 508 . 1 1 39 39 GLY N N 15 114.089 0.000 . 1 . . . . 39 GLY N . 15812 1 509 . 1 1 40 40 THR H H 1 8.172 0.003 . 1 . . . . 40 THR H . 15812 1 510 . 1 1 40 40 THR HA H 1 4.093 0.005 . 1 . . . . 40 THR HA . 15812 1 511 . 1 1 40 40 THR HB H 1 4.037 0.006 . 1 . . . . 40 THR HB . 15812 1 512 . 1 1 40 40 THR HG21 H 1 1.370 0.005 . 1 . . . . 40 THR QG2 . 15812 1 513 . 1 1 40 40 THR HG22 H 1 1.370 0.005 . 1 . . . . 40 THR QG2 . 15812 1 514 . 1 1 40 40 THR HG23 H 1 1.370 0.005 . 1 . . . . 40 THR QG2 . 15812 1 515 . 1 1 40 40 THR C C 13 173.262 0.000 . 1 . . . . 40 THR C . 15812 1 516 . 1 1 40 40 THR CA C 13 64.943 0.000 . 1 . . . . 40 THR CA . 15812 1 517 . 1 1 40 40 THR CB C 13 69.737 0.000 . 1 . . . . 40 THR CB . 15812 1 518 . 1 1 40 40 THR CG2 C 13 22.328 0.000 . 1 . . . . 40 THR CG2 . 15812 1 519 . 1 1 40 40 THR N N 15 118.433 0.000 . 1 . . . . 40 THR N . 15812 1 520 . 1 1 41 41 GLU H H 1 8.668 0.000 . 1 . . . . 41 GLU H . 15812 1 521 . 1 1 41 41 GLU HA H 1 5.292 0.006 . 1 . . . . 41 GLU HA . 15812 1 522 . 1 1 41 41 GLU HB2 H 1 1.887 0.003 . 2 . . . . 41 GLU HB2 . 15812 1 523 . 1 1 41 41 GLU HB3 H 1 2.001 0.000 . 2 . . . . 41 GLU HB3 . 15812 1 524 . 1 1 41 41 GLU HG2 H 1 2.003 0.000 . 2 . . . . 41 GLU HG2 . 15812 1 525 . 1 1 41 41 GLU HG3 H 1 2.395 0.002 . 2 . . . . 41 GLU HG3 . 15812 1 526 . 1 1 41 41 GLU C C 13 175.715 0.000 . 1 . . . . 41 GLU C . 15812 1 527 . 1 1 41 41 GLU CA C 13 55.202 0.000 . 1 . . . . 41 GLU CA . 15812 1 528 . 1 1 41 41 GLU CB C 13 31.103 0.068 . 1 . . . . 41 GLU CB . 15812 1 529 . 1 1 41 41 GLU CG C 13 37.041 0.000 . 1 . . . . 41 GLU CG . 15812 1 530 . 1 1 41 41 GLU N N 15 127.132 0.000 . 1 . . . . 41 GLU N . 15812 1 531 . 1 1 42 42 ILE H H 1 8.960 0.001 . 1 . . . . 42 ILE H . 15812 1 532 . 1 1 42 42 ILE HA H 1 4.602 0.003 . 1 . . . . 42 ILE HA . 15812 1 533 . 1 1 42 42 ILE HB H 1 1.440 0.005 . 1 . . . . 42 ILE HB . 15812 1 534 . 1 1 42 42 ILE HD11 H 1 0.594 0.000 . 1 . . . . 42 ILE QD1 . 15812 1 535 . 1 1 42 42 ILE HD12 H 1 0.594 0.000 . 1 . . . . 42 ILE QD1 . 15812 1 536 . 1 1 42 42 ILE HD13 H 1 0.594 0.000 . 1 . . . . 42 ILE QD1 . 15812 1 537 . 1 1 42 42 ILE HG12 H 1 1.492 0.002 . 2 . . . . 42 ILE HG12 . 15812 1 538 . 1 1 42 42 ILE HG13 H 1 0.909 0.000 . 2 . . . . 42 ILE HG13 . 15812 1 539 . 1 1 42 42 ILE HG21 H 1 0.855 0.000 . 1 . . . . 42 ILE QG2 . 15812 1 540 . 1 1 42 42 ILE HG22 H 1 0.855 0.000 . 1 . . . . 42 ILE QG2 . 15812 1 541 . 1 1 42 42 ILE HG23 H 1 0.855 0.000 . 1 . . . . 42 ILE QG2 . 15812 1 542 . 1 1 42 42 ILE C C 13 173.287 0.000 . 1 . . . . 42 ILE C . 15812 1 543 . 1 1 42 42 ILE CA C 13 59.945 0.000 . 1 . . . . 42 ILE CA . 15812 1 544 . 1 1 42 42 ILE CB C 13 42.299 0.000 . 1 . . . . 42 ILE CB . 15812 1 545 . 1 1 42 42 ILE CD1 C 13 14.115 0.000 . 1 . . . . 42 ILE CD1 . 15812 1 546 . 1 1 42 42 ILE CG1 C 13 27.243 0.000 . 1 . . . . 42 ILE CG1 . 15812 1 547 . 1 1 42 42 ILE CG2 C 13 19.688 0.000 . 1 . . . . 42 ILE CG2 . 15812 1 548 . 1 1 42 42 ILE N N 15 122.913 0.000 . 1 . . . . 42 ILE N . 15812 1 549 . 1 1 43 43 TYR H H 1 8.727 0.002 . 1 . . . . 43 TYR H . 15812 1 550 . 1 1 43 43 TYR HA H 1 5.370 0.006 . 1 . . . . 43 TYR HA . 15812 1 551 . 1 1 43 43 TYR HB2 H 1 2.894 0.003 . 2 . . . . 43 TYR HB2 . 15812 1 552 . 1 1 43 43 TYR HB3 H 1 2.986 0.000 . 2 . . . . 43 TYR HB3 . 15812 1 553 . 1 1 43 43 TYR HD1 H 1 6.773 0.000 . 1 . . . . 43 TYR HD1 . 15812 1 554 . 1 1 43 43 TYR HD2 H 1 6.773 0.000 . 1 . . . . 43 TYR HD2 . 15812 1 555 . 1 1 43 43 TYR HE1 H 1 6.689 0.000 . 1 . . . . 43 TYR HE1 . 15812 1 556 . 1 1 43 43 TYR HE2 H 1 6.689 0.000 . 1 . . . . 43 TYR HE2 . 15812 1 557 . 1 1 43 43 TYR C C 13 174.798 0.000 . 1 . . . . 43 TYR C . 15812 1 558 . 1 1 43 43 TYR CA C 13 55.702 0.000 . 1 . . . . 43 TYR CA . 15812 1 559 . 1 1 43 43 TYR CB C 13 41.126 0.000 . 1 . . . . 43 TYR CB . 15812 1 560 . 1 1 43 43 TYR CD1 C 13 132.540 0.000 . 1 . . . . 43 TYR CD1 . 15812 1 561 . 1 1 43 43 TYR CE1 C 13 117.810 0.000 . 1 . . . . 43 TYR CE1 . 15812 1 562 . 1 1 43 43 TYR N N 15 126.166 0.000 . 1 . . . . 43 TYR N . 15812 1 563 . 1 1 44 44 ILE H H 1 8.077 0.001 . 1 . . . . 44 ILE H . 15812 1 564 . 1 1 44 44 ILE HA H 1 4.183 0.002 . 1 . . . . 44 ILE HA . 15812 1 565 . 1 1 44 44 ILE HB H 1 1.807 0.002 . 1 . . . . 44 ILE HB . 15812 1 566 . 1 1 44 44 ILE HD11 H 1 0.678 0.008 . 1 . . . . 44 ILE QD1 . 15812 1 567 . 1 1 44 44 ILE HD12 H 1 0.678 0.008 . 1 . . . . 44 ILE QD1 . 15812 1 568 . 1 1 44 44 ILE HD13 H 1 0.678 0.008 . 1 . . . . 44 ILE QD1 . 15812 1 569 . 1 1 44 44 ILE HG12 H 1 1.313 0.001 . 2 . . . . 44 ILE HG12 . 15812 1 570 . 1 1 44 44 ILE HG13 H 1 0.980 0.000 . 2 . . . . 44 ILE HG13 . 15812 1 571 . 1 1 44 44 ILE HG21 H 1 0.729 0.007 . 1 . . . . 44 ILE QG2 . 15812 1 572 . 1 1 44 44 ILE HG22 H 1 0.729 0.007 . 1 . . . . 44 ILE QG2 . 15812 1 573 . 1 1 44 44 ILE HG23 H 1 0.729 0.007 . 1 . . . . 44 ILE QG2 . 15812 1 574 . 1 1 44 44 ILE C C 13 174.451 0.000 . 1 . . . . 44 ILE C . 15812 1 575 . 1 1 44 44 ILE CA C 13 60.840 0.160 . 1 . . . . 44 ILE CA . 15812 1 576 . 1 1 44 44 ILE CB C 13 36.837 0.058 . 1 . . . . 44 ILE CB . 15812 1 577 . 1 1 44 44 ILE CD1 C 13 14.085 0.000 . 1 . . . . 44 ILE CD1 . 15812 1 578 . 1 1 44 44 ILE CG1 C 13 27.405 0.000 . 1 . . . . 44 ILE CG1 . 15812 1 579 . 1 1 44 44 ILE CG2 C 13 18.554 0.000 . 1 . . . . 44 ILE CG2 . 15812 1 580 . 1 1 44 44 ILE N N 15 127.369 0.000 . 1 . . . . 44 ILE N . 15812 1 581 . 1 1 45 45 GLU H H 1 8.478 0.004 . 1 . . . . 45 GLU H . 15812 1 582 . 1 1 45 45 GLU HA H 1 4.079 0.002 . 1 . . . . 45 GLU HA . 15812 1 583 . 1 1 45 45 GLU HB2 H 1 1.873 0.005 . 2 . . . . 45 GLU HB2 . 15812 1 584 . 1 1 45 45 GLU HB3 H 1 1.880 0.000 . 2 . . . . 45 GLU HB3 . 15812 1 585 . 1 1 45 45 GLU HG2 H 1 2.218 0.001 . 2 . . . . 45 GLU HG2 . 15812 1 586 . 1 1 45 45 GLU HG3 H 1 2.163 0.005 . 2 . . . . 45 GLU HG3 . 15812 1 587 . 1 1 45 45 GLU C C 13 176.979 0.000 . 1 . . . . 45 GLU C . 15812 1 588 . 1 1 45 45 GLU CA C 13 57.548 0.000 . 1 . . . . 45 GLU CA . 15812 1 589 . 1 1 45 45 GLU CB C 13 31.255 0.042 . 1 . . . . 45 GLU CB . 15812 1 590 . 1 1 45 45 GLU CG C 13 36.289 0.000 . 1 . . . . 45 GLU CG . 15812 1 591 . 1 1 45 45 GLU N N 15 128.748 0.000 . 1 . . . . 45 GLU N . 15812 1 592 . 1 1 46 46 GLY H H 1 7.890 0.003 . 1 . . . . 46 GLY H . 15812 1 593 . 1 1 46 46 GLY HA2 H 1 4.044 0.002 . 1 . . . . 46 GLY HA2 . 15812 1 594 . 1 1 46 46 GLY HA3 H 1 4.136 0.002 . 1 . . . . 46 GLY HA3 . 15812 1 595 . 1 1 46 46 GLY C C 13 170.511 0.000 . 1 . . . . 46 GLY C . 15812 1 596 . 1 1 46 46 GLY CA C 13 45.503 0.083 . 1 . . . . 46 GLY CA . 15812 1 597 . 1 1 46 46 GLY N N 15 103.208 0.000 . 1 . . . . 46 GLY N . 15812 1 598 . 1 1 47 47 LYS H H 1 8.328 0.000 . 1 . . . . 47 LYS H . 15812 1 599 . 1 1 47 47 LYS HA H 1 4.762 0.003 . 1 . . . . 47 LYS HA . 15812 1 600 . 1 1 47 47 LYS HB2 H 1 1.804 0.001 . 2 . . . . 47 LYS HB2 . 15812 1 601 . 1 1 47 47 LYS HB3 H 1 1.662 0.000 . 2 . . . . 47 LYS HB3 . 15812 1 602 . 1 1 47 47 LYS HD2 H 1 1.670 0.000 . 2 . . . . 47 LYS HD2 . 15812 1 603 . 1 1 47 47 LYS HD3 H 1 1.670 0.000 . 2 . . . . 47 LYS HD3 . 15812 1 604 . 1 1 47 47 LYS HE2 H 1 2.815 0.002 . 2 . . . . 47 LYS HE2 . 15812 1 605 . 1 1 47 47 LYS HE3 H 1 2.791 0.000 . 2 . . . . 47 LYS HE3 . 15812 1 606 . 1 1 47 47 LYS HG2 H 1 1.381 0.000 . 2 . . . . 47 LYS HG2 . 15812 1 607 . 1 1 47 47 LYS HG3 H 1 1.286 0.004 . 2 . . . . 47 LYS HG3 . 15812 1 608 . 1 1 47 47 LYS C C 13 174.526 0.000 . 1 . . . . 47 LYS C . 15812 1 609 . 1 1 47 47 LYS CA C 13 55.610 0.000 . 1 . . . . 47 LYS CA . 15812 1 610 . 1 1 47 47 LYS CB C 13 36.742 0.046 . 1 . . . . 47 LYS CB . 15812 1 611 . 1 1 47 47 LYS CD C 13 29.592 0.000 . 1 . . . . 47 LYS CD . 15812 1 612 . 1 1 47 47 LYS CE C 13 42.351 0.000 . 1 . . . . 47 LYS CE . 15812 1 613 . 1 1 47 47 LYS CG C 13 25.172 0.000 . 1 . . . . 47 LYS CG . 15812 1 614 . 1 1 47 47 LYS N N 15 115.984 0.000 . 1 . . . . 47 LYS N . 15812 1 615 . 1 1 48 48 ALA H H 1 7.469 0.004 . 1 . . . . 48 ALA H . 15812 1 616 . 1 1 48 48 ALA HA H 1 4.538 0.004 . 1 . . . . 48 ALA HA . 15812 1 617 . 1 1 48 48 ALA HB1 H 1 1.400 0.000 . 1 . . . . 48 ALA QB . 15812 1 618 . 1 1 48 48 ALA HB2 H 1 1.400 0.000 . 1 . . . . 48 ALA QB . 15812 1 619 . 1 1 48 48 ALA HB3 H 1 1.400 0.000 . 1 . . . . 48 ALA QB . 15812 1 620 . 1 1 48 48 ALA CA C 13 51.165 0.000 . 1 . . . . 48 ALA CA . 15812 1 621 . 1 1 48 48 ALA CB C 13 17.498 0.000 . 1 . . . . 48 ALA CB . 15812 1 622 . 1 1 48 48 ALA N N 15 124.486 0.000 . 1 . . . . 48 ALA N . 15812 1 623 . 1 1 49 49 PRO HA H 1 4.299 0.000 . 1 . . . . 49 PRO HA . 15812 1 624 . 1 1 49 49 PRO HB2 H 1 1.894 0.000 . 1 . . . . 49 PRO HB2 . 15812 1 625 . 1 1 49 49 PRO HB3 H 1 2.409 0.000 . 1 . . . . 49 PRO HB3 . 15812 1 626 . 1 1 49 49 PRO HD2 H 1 3.741 0.000 . 2 . . . . 49 PRO HD2 . 15812 1 627 . 1 1 49 49 PRO HD3 H 1 3.871 0.001 . 2 . . . . 49 PRO HD3 . 15812 1 628 . 1 1 49 49 PRO HG2 H 1 2.052 0.000 . 2 . . . . 49 PRO HG2 . 15812 1 629 . 1 1 49 49 PRO HG3 H 1 2.186 0.000 . 2 . . . . 49 PRO HG3 . 15812 1 630 . 1 1 49 49 PRO C C 13 177.970 0.000 . 1 . . . . 49 PRO C . 15812 1 631 . 1 1 49 49 PRO CA C 13 65.759 0.000 . 1 . . . . 49 PRO CA . 15812 1 632 . 1 1 49 49 PRO CB C 13 31.615 0.000 . 1 . . . . 49 PRO CB . 15812 1 633 . 1 1 49 49 PRO CD C 13 50.280 0.000 . 1 . . . . 49 PRO CD . 15812 1 634 . 1 1 49 49 PRO CG C 13 27.823 0.000 . 1 . . . . 49 PRO CG . 15812 1 635 . 1 1 50 50 MET H H 1 8.456 0.001 . 1 . . . . 50 MET H . 15812 1 636 . 1 1 50 50 MET HA H 1 4.494 0.000 . 1 . . . . 50 MET HA . 15812 1 637 . 1 1 50 50 MET HB2 H 1 2.307 0.000 . 2 . . . . 50 MET HB2 . 15812 1 638 . 1 1 50 50 MET HB3 H 1 2.285 0.000 . 2 . . . . 50 MET HB3 . 15812 1 639 . 1 1 50 50 MET HG2 H 1 2.538 0.000 . 2 . . . . 50 MET HG2 . 15812 1 640 . 1 1 50 50 MET HG3 H 1 2.674 0.000 . 2 . . . . 50 MET HG3 . 15812 1 641 . 1 1 50 50 MET C C 13 177.103 0.000 . 1 . . . . 50 MET C . 15812 1 642 . 1 1 50 50 MET CA C 13 55.662 0.000 . 1 . . . . 50 MET CA . 15812 1 643 . 1 1 50 50 MET CB C 13 30.399 0.000 . 1 . . . . 50 MET CB . 15812 1 644 . 1 1 50 50 MET CG C 13 32.662 0.000 . 1 . . . . 50 MET CG . 15812 1 645 . 1 1 50 50 MET N N 15 113.027 0.000 . 1 . . . . 50 MET N . 15812 1 646 . 1 1 51 51 GLY H H 1 8.555 0.002 . 1 . . . . 51 GLY H . 15812 1 647 . 1 1 51 51 GLY HA2 H 1 4.182 0.000 . 2 . . . . 51 GLY HA2 . 15812 1 648 . 1 1 51 51 GLY HA3 H 1 3.425 0.000 . 2 . . . . 51 GLY HA3 . 15812 1 649 . 1 1 51 51 GLY C C 13 172.122 0.000 . 1 . . . . 51 GLY C . 15812 1 650 . 1 1 51 51 GLY CA C 13 45.869 0.000 . 1 . . . . 51 GLY CA . 15812 1 651 . 1 1 51 51 GLY N N 15 107.378 0.000 . 1 . . . . 51 GLY N . 15812 1 652 . 1 1 52 52 ASP H H 1 6.810 0.002 . 1 . . . . 52 ASP H . 15812 1 653 . 1 1 52 52 ASP HA H 1 5.005 0.000 . 1 . . . . 52 ASP HA . 15812 1 654 . 1 1 52 52 ASP HB2 H 1 2.782 0.007 . 2 . . . . 52 ASP HB2 . 15812 1 655 . 1 1 52 52 ASP HB3 H 1 2.389 0.003 . 2 . . . . 52 ASP HB3 . 15812 1 656 . 1 1 52 52 ASP CA C 13 50.309 0.000 . 1 . . . . 52 ASP CA . 15812 1 657 . 1 1 52 52 ASP CB C 13 45.515 0.000 . 1 . . . . 52 ASP CB . 15812 1 658 . 1 1 52 52 ASP N N 15 116.376 0.000 . 1 . . . . 52 ASP N . 15812 1 659 . 1 1 53 53 PRO HA H 1 5.518 0.002 . 1 . . . . 53 PRO HA . 15812 1 660 . 1 1 53 53 PRO HB2 H 1 2.033 0.003 . 2 . . . . 53 PRO HB2 . 15812 1 661 . 1 1 53 53 PRO HB3 H 1 2.039 0.000 . 2 . . . . 53 PRO HB3 . 15812 1 662 . 1 1 53 53 PRO HD2 H 1 3.416 0.000 . 2 . . . . 53 PRO HD2 . 15812 1 663 . 1 1 53 53 PRO HD3 H 1 3.427 0.000 . 2 . . . . 53 PRO HD3 . 15812 1 664 . 1 1 53 53 PRO HG2 H 1 1.817 0.004 . 2 . . . . 53 PRO HG2 . 15812 1 665 . 1 1 53 53 PRO HG3 H 1 1.641 0.007 . 2 . . . . 53 PRO HG3 . 15812 1 666 . 1 1 53 53 PRO C C 13 175.021 0.000 . 1 . . . . 53 PRO C . 15812 1 667 . 1 1 53 53 PRO CA C 13 63.719 0.000 . 1 . . . . 53 PRO CA . 15812 1 668 . 1 1 53 53 PRO CB C 13 35.785 0.057 . 1 . . . . 53 PRO CB . 15812 1 669 . 1 1 53 53 PRO CD C 13 50.166 0.000 . 1 . . . . 53 PRO CD . 15812 1 670 . 1 1 53 53 PRO CG C 13 24.289 0.000 . 1 . . . . 53 PRO CG . 15812 1 671 . 1 1 54 54 ILE H H 1 9.122 0.000 . 1 . . . . 54 ILE H . 15812 1 672 . 1 1 54 54 ILE HA H 1 4.288 0.003 . 1 . . . . 54 ILE HA . 15812 1 673 . 1 1 54 54 ILE HB H 1 1.633 0.000 . 1 . . . . 54 ILE HB . 15812 1 674 . 1 1 54 54 ILE HD11 H 1 0.779 0.005 . 1 . . . . 54 ILE QD1 . 15812 1 675 . 1 1 54 54 ILE HD12 H 1 0.779 0.005 . 1 . . . . 54 ILE QD1 . 15812 1 676 . 1 1 54 54 ILE HD13 H 1 0.779 0.005 . 1 . . . . 54 ILE QD1 . 15812 1 677 . 1 1 54 54 ILE HG12 H 1 1.672 0.000 . 2 . . . . 54 ILE HG12 . 15812 1 678 . 1 1 54 54 ILE HG13 H 1 0.911 0.004 . 2 . . . . 54 ILE HG13 . 15812 1 679 . 1 1 54 54 ILE HG21 H 1 0.886 0.000 . 1 . . . . 54 ILE QG2 . 15812 1 680 . 1 1 54 54 ILE HG22 H 1 0.886 0.000 . 1 . . . . 54 ILE QG2 . 15812 1 681 . 1 1 54 54 ILE HG23 H 1 0.886 0.000 . 1 . . . . 54 ILE QG2 . 15812 1 682 . 1 1 54 54 ILE C C 13 173.237 0.000 . 1 . . . . 54 ILE C . 15812 1 683 . 1 1 54 54 ILE CA C 13 61.329 0.143 . 1 . . . . 54 ILE CA . 15812 1 684 . 1 1 54 54 ILE CB C 13 41.013 0.000 . 1 . . . . 54 ILE CB . 15812 1 685 . 1 1 54 54 ILE CD1 C 13 14.614 0.000 . 1 . . . . 54 ILE CD1 . 15812 1 686 . 1 1 54 54 ILE CG1 C 13 27.950 0.000 . 1 . . . . 54 ILE CG1 . 15812 1 687 . 1 1 54 54 ILE CG2 C 13 18.115 0.000 . 1 . . . . 54 ILE CG2 . 15812 1 688 . 1 1 54 54 ILE N N 15 118.731 0.000 . 1 . . . . 54 ILE N . 15812 1 689 . 1 1 55 55 ALA H H 1 8.617 0.001 . 1 . . . . 55 ALA H . 15812 1 690 . 1 1 55 55 ALA HA H 1 4.858 0.004 . 1 . . . . 55 ALA HA . 15812 1 691 . 1 1 55 55 ALA HB1 H 1 1.273 0.000 . 1 . . . . 55 ALA QB . 15812 1 692 . 1 1 55 55 ALA HB2 H 1 1.273 0.000 . 1 . . . . 55 ALA QB . 15812 1 693 . 1 1 55 55 ALA HB3 H 1 1.273 0.000 . 1 . . . . 55 ALA QB . 15812 1 694 . 1 1 55 55 ALA C C 13 175.913 0.000 . 1 . . . . 55 ALA C . 15812 1 695 . 1 1 55 55 ALA CA C 13 51.530 0.000 . 1 . . . . 55 ALA CA . 15812 1 696 . 1 1 55 55 ALA CB C 13 19.554 0.000 . 1 . . . . 55 ALA CB . 15812 1 697 . 1 1 55 55 ALA N N 15 130.081 0.000 . 1 . . . . 55 ALA N . 15812 1 698 . 1 1 56 56 LEU H H 1 9.014 0.000 . 1 . . . . 56 LEU H . 15812 1 699 . 1 1 56 56 LEU HA H 1 5.293 0.005 . 1 . . . . 56 LEU HA . 15812 1 700 . 1 1 56 56 LEU HB2 H 1 1.778 0.003 . 1 . . . . 56 LEU HB2 . 15812 1 701 . 1 1 56 56 LEU HB3 H 1 1.369 0.003 . 1 . . . . 56 LEU HB3 . 15812 1 702 . 1 1 56 56 LEU HD11 H 1 0.806 0.003 . 2 . . . . 56 LEU QD1 . 15812 1 703 . 1 1 56 56 LEU HD12 H 1 0.806 0.003 . 2 . . . . 56 LEU QD1 . 15812 1 704 . 1 1 56 56 LEU HD13 H 1 0.806 0.003 . 2 . . . . 56 LEU QD1 . 15812 1 705 . 1 1 56 56 LEU HD21 H 1 0.783 0.002 . 2 . . . . 56 LEU QD2 . 15812 1 706 . 1 1 56 56 LEU HD22 H 1 0.783 0.002 . 2 . . . . 56 LEU QD2 . 15812 1 707 . 1 1 56 56 LEU HD23 H 1 0.783 0.002 . 2 . . . . 56 LEU QD2 . 15812 1 708 . 1 1 56 56 LEU HG H 1 1.751 0.006 . 1 . . . . 56 LEU HG . 15812 1 709 . 1 1 56 56 LEU C C 13 176.632 0.000 . 1 . . . . 56 LEU C . 15812 1 710 . 1 1 56 56 LEU CA C 13 52.754 0.000 . 1 . . . . 56 LEU CA . 15812 1 711 . 1 1 56 56 LEU CB C 13 45.627 0.000 . 1 . . . . 56 LEU CB . 15812 1 712 . 1 1 56 56 LEU CD1 C 13 24.892 0.000 . 1 . . . . 56 LEU CD1 . 15812 1 713 . 1 1 56 56 LEU CD2 C 13 26.629 0.009 . 1 . . . . 56 LEU CD2 . 15812 1 714 . 1 1 56 56 LEU CG C 13 26.453 0.000 . 1 . . . . 56 LEU CG . 15812 1 715 . 1 1 56 56 LEU N N 15 121.737 0.000 . 1 . . . . 56 LEU N . 15812 1 716 . 1 1 57 57 ARG H H 1 9.296 0.005 . 1 . . . . 57 ARG H . 15812 1 717 . 1 1 57 57 ARG HA H 1 5.252 0.001 . 1 . . . . 57 ARG HA . 15812 1 718 . 1 1 57 57 ARG HB2 H 1 1.891 0.006 . 2 . . . . 57 ARG HB2 . 15812 1 719 . 1 1 57 57 ARG HB3 H 1 1.919 0.001 . 2 . . . . 57 ARG HB3 . 15812 1 720 . 1 1 57 57 ARG HD2 H 1 3.042 0.006 . 2 . . . . 57 ARG HD2 . 15812 1 721 . 1 1 57 57 ARG HD3 H 1 3.088 0.003 . 2 . . . . 57 ARG HD3 . 15812 1 722 . 1 1 57 57 ARG HG2 H 1 1.546 0.001 . 1 . . . . 57 ARG HG2 . 15812 1 723 . 1 1 57 57 ARG HG3 H 1 1.532 0.003 . 1 . . . . 57 ARG HG3 . 15812 1 724 . 1 1 57 57 ARG C C 13 175.046 0.000 . 1 . . . . 57 ARG C . 15812 1 725 . 1 1 57 57 ARG CA C 13 54.947 0.000 . 1 . . . . 57 ARG CA . 15812 1 726 . 1 1 57 57 ARG CB C 13 33.059 0.021 . 1 . . . . 57 ARG CB . 15812 1 727 . 1 1 57 57 ARG CD C 13 43.100 0.000 . 1 . . . . 57 ARG CD . 15812 1 728 . 1 1 57 57 ARG CG C 13 26.752 0.055 . 1 . . . . 57 ARG CG . 15812 1 729 . 1 1 57 57 ARG N N 15 121.264 0.000 . 1 . . . . 57 ARG N . 15812 1 730 . 1 1 58 58 LEU H H 1 8.907 0.001 . 1 . . . . 58 LEU H . 15812 1 731 . 1 1 58 58 LEU HA H 1 4.708 0.002 . 1 . . . . 58 LEU HA . 15812 1 732 . 1 1 58 58 LEU HB2 H 1 1.304 0.000 . 2 . . . . 58 LEU HB2 . 15812 1 733 . 1 1 58 58 LEU HB3 H 1 1.832 0.003 . 2 . . . . 58 LEU HB3 . 15812 1 734 . 1 1 58 58 LEU HD11 H 1 0.877 0.000 . 2 . . . . 58 LEU QD1 . 15812 1 735 . 1 1 58 58 LEU HD12 H 1 0.877 0.000 . 2 . . . . 58 LEU QD1 . 15812 1 736 . 1 1 58 58 LEU HD13 H 1 0.877 0.000 . 2 . . . . 58 LEU QD1 . 15812 1 737 . 1 1 58 58 LEU HD21 H 1 0.778 0.007 . 2 . . . . 58 LEU QD2 . 15812 1 738 . 1 1 58 58 LEU HD22 H 1 0.778 0.007 . 2 . . . . 58 LEU QD2 . 15812 1 739 . 1 1 58 58 LEU HD23 H 1 0.778 0.007 . 2 . . . . 58 LEU QD2 . 15812 1 740 . 1 1 58 58 LEU HG H 1 1.539 0.003 . 1 . . . . 58 LEU HG . 15812 1 741 . 1 1 58 58 LEU C C 13 174.253 0.000 . 1 . . . . 58 LEU C . 15812 1 742 . 1 1 58 58 LEU CA C 13 54.845 0.000 . 1 . . . . 58 LEU CA . 15812 1 743 . 1 1 58 58 LEU CB C 13 43.857 0.000 . 1 . . . . 58 LEU CB . 15812 1 744 . 1 1 58 58 LEU CD1 C 13 24.730 0.000 . 1 . . . . 58 LEU CD1 . 15812 1 745 . 1 1 58 58 LEU CD2 C 13 26.693 0.055 . 1 . . . . 58 LEU CD2 . 15812 1 746 . 1 1 58 58 LEU CG C 13 27.154 0.000 . 1 . . . . 58 LEU CG . 15812 1 747 . 1 1 58 58 LEU N N 15 127.576 0.000 . 1 . . . . 58 LEU N . 15812 1 748 . 1 1 59 59 ARG H H 1 9.328 0.002 . 1 . . . . 59 ARG H . 15812 1 749 . 1 1 59 59 ARG HA H 1 3.884 0.003 . 1 . . . . 59 ARG HA . 15812 1 750 . 1 1 59 59 ARG HB2 H 1 1.609 0.003 . 2 . . . . 59 ARG HB2 . 15812 1 751 . 1 1 59 59 ARG HB3 H 1 1.699 0.000 . 2 . . . . 59 ARG HB3 . 15812 1 752 . 1 1 59 59 ARG HD2 H 1 3.339 0.003 . 2 . . . . 59 ARG HD2 . 15812 1 753 . 1 1 59 59 ARG HD3 H 1 3.331 0.000 . 2 . . . . 59 ARG HD3 . 15812 1 754 . 1 1 59 59 ARG HG2 H 1 1.882 0.008 . 2 . . . . 59 ARG HG2 . 15812 1 755 . 1 1 59 59 ARG HG3 H 1 2.063 0.003 . 2 . . . . 59 ARG HG3 . 15812 1 756 . 1 1 59 59 ARG C C 13 175.566 0.000 . 1 . . . . 59 ARG C . 15812 1 757 . 1 1 59 59 ARG CA C 13 57.334 0.122 . 1 . . . . 59 ARG CA . 15812 1 758 . 1 1 59 59 ARG CB C 13 28.136 0.000 . 1 . . . . 59 ARG CB . 15812 1 759 . 1 1 59 59 ARG CD C 13 43.609 0.000 . 1 . . . . 59 ARG CD . 15812 1 760 . 1 1 59 59 ARG CG C 13 28.340 0.116 . 1 . . . . 59 ARG CG . 15812 1 761 . 1 1 59 59 ARG N N 15 120.195 0.000 . 1 . . . . 59 ARG N . 15812 1 762 . 1 1 60 60 GLY H H 1 8.409 0.000 . 1 . . . . 60 GLY H . 15812 1 763 . 1 1 60 60 GLY HA2 H 1 4.130 0.000 . 2 . . . . 60 GLY HA2 . 15812 1 764 . 1 1 60 60 GLY HA3 H 1 3.629 0.000 . 2 . . . . 60 GLY HA3 . 15812 1 765 . 1 1 60 60 GLY C C 13 174.080 0.000 . 1 . . . . 60 GLY C . 15812 1 766 . 1 1 60 60 GLY CA C 13 45.266 0.000 . 1 . . . . 60 GLY CA . 15812 1 767 . 1 1 60 60 GLY N N 15 104.518 0.000 . 1 . . . . 60 GLY N . 15812 1 768 . 1 1 61 61 TYR H H 1 8.184 0.001 . 1 . . . . 61 TYR H . 15812 1 769 . 1 1 61 61 TYR HA H 1 4.926 0.000 . 1 . . . . 61 TYR HA . 15812 1 770 . 1 1 61 61 TYR HB2 H 1 3.108 0.000 . 2 . . . . 61 TYR HB2 . 15812 1 771 . 1 1 61 61 TYR HB3 H 1 3.167 0.000 . 2 . . . . 61 TYR HB3 . 15812 1 772 . 1 1 61 61 TYR HD1 H 1 7.078 0.000 . 1 . . . . 61 TYR HD1 . 15812 1 773 . 1 1 61 61 TYR HD2 H 1 7.078 0.000 . 1 . . . . 61 TYR HD2 . 15812 1 774 . 1 1 61 61 TYR HE1 H 1 6.787 0.000 . 1 . . . . 61 TYR HE1 . 15812 1 775 . 1 1 61 61 TYR HE2 H 1 6.787 0.000 . 1 . . . . 61 TYR HE2 . 15812 1 776 . 1 1 61 61 TYR C C 13 173.832 0.000 . 1 . . . . 61 TYR C . 15812 1 777 . 1 1 61 61 TYR CA C 13 56.405 0.000 . 1 . . . . 61 TYR CA . 15812 1 778 . 1 1 61 61 TYR CB C 13 40.056 0.000 . 1 . . . . 61 TYR CB . 15812 1 779 . 1 1 61 61 TYR CD1 C 13 134.074 0.000 . 1 . . . . 61 TYR CD1 . 15812 1 780 . 1 1 61 61 TYR CE1 C 13 117.810 0.000 . 1 . . . . 61 TYR CE1 . 15812 1 781 . 1 1 61 61 TYR N N 15 120.071 0.000 . 1 . . . . 61 TYR N . 15812 1 782 . 1 1 62 62 SER H H 1 8.493 0.000 . 1 . . . . 62 SER H . 15812 1 783 . 1 1 62 62 SER HA H 1 5.270 0.003 . 1 . . . . 62 SER HA . 15812 1 784 . 1 1 62 62 SER HB2 H 1 3.782 0.000 . 2 . . . . 62 SER HB2 . 15812 1 785 . 1 1 62 62 SER HB3 H 1 3.932 0.005 . 2 . . . . 62 SER HB3 . 15812 1 786 . 1 1 62 62 SER C C 13 173.435 0.000 . 1 . . . . 62 SER C . 15812 1 787 . 1 1 62 62 SER CA C 13 57.665 0.000 . 1 . . . . 62 SER CA . 15812 1 788 . 1 1 62 62 SER CB C 13 64.420 0.044 . 1 . . . . 62 SER CB . 15812 1 789 . 1 1 62 62 SER N N 15 116.220 0.000 . 1 . . . . 62 SER N . 15812 1 790 . 1 1 63 63 LEU H H 1 8.751 0.000 . 1 . . . . 63 LEU H . 15812 1 791 . 1 1 63 63 LEU HA H 1 4.746 0.005 . 1 . . . . 63 LEU HA . 15812 1 792 . 1 1 63 63 LEU HB2 H 1 1.559 0.000 . 2 . . . . 63 LEU HB2 . 15812 1 793 . 1 1 63 63 LEU HB3 H 1 1.636 0.000 . 2 . . . . 63 LEU HB3 . 15812 1 794 . 1 1 63 63 LEU HD11 H 1 1.036 0.000 . 2 . . . . 63 LEU QD1 . 15812 1 795 . 1 1 63 63 LEU HD12 H 1 1.036 0.000 . 2 . . . . 63 LEU QD1 . 15812 1 796 . 1 1 63 63 LEU HD13 H 1 1.036 0.000 . 2 . . . . 63 LEU QD1 . 15812 1 797 . 1 1 63 63 LEU HD21 H 1 1.011 0.003 . 2 . . . . 63 LEU QD2 . 15812 1 798 . 1 1 63 63 LEU HD22 H 1 1.011 0.003 . 2 . . . . 63 LEU QD2 . 15812 1 799 . 1 1 63 63 LEU HD23 H 1 1.011 0.003 . 2 . . . . 63 LEU QD2 . 15812 1 800 . 1 1 63 63 LEU HG H 1 1.585 0.000 . 1 . . . . 63 LEU HG . 15812 1 801 . 1 1 63 63 LEU C C 13 174.749 0.000 . 1 . . . . 63 LEU C . 15812 1 802 . 1 1 63 63 LEU CA C 13 56.528 0.000 . 1 . . . . 63 LEU CA . 15812 1 803 . 1 1 63 63 LEU CB C 13 46.522 0.000 . 1 . . . . 63 LEU CB . 15812 1 804 . 1 1 63 63 LEU CD1 C 13 25.813 0.000 . 1 . . . . 63 LEU CD1 . 15812 1 805 . 1 1 63 63 LEU CD2 C 13 25.732 0.000 . 1 . . . . 63 LEU CD2 . 15812 1 806 . 1 1 63 63 LEU CG C 13 27.073 0.000 . 1 . . . . 63 LEU CG . 15812 1 807 . 1 1 63 63 LEU N N 15 124.034 0.000 . 1 . . . . 63 LEU N . 15812 1 808 . 1 1 64 64 SER H H 1 8.399 0.000 . 1 . . . . 64 SER H . 15812 1 809 . 1 1 64 64 SER HA H 1 5.369 0.005 . 1 . . . . 64 SER HA . 15812 1 810 . 1 1 64 64 SER HB2 H 1 3.619 0.007 . 2 . . . . 64 SER HB2 . 15812 1 811 . 1 1 64 64 SER HB3 H 1 3.658 0.000 . 2 . . . . 64 SER HB3 . 15812 1 812 . 1 1 64 64 SER C C 13 173.435 0.000 . 1 . . . . 64 SER C . 15812 1 813 . 1 1 64 64 SER CA C 13 56.404 0.000 . 1 . . . . 64 SER CA . 15812 1 814 . 1 1 64 64 SER CB C 13 64.194 0.000 . 1 . . . . 64 SER CB . 15812 1 815 . 1 1 64 64 SER N N 15 117.334 0.000 . 1 . . . . 64 SER N . 15812 1 816 . 1 1 65 65 LEU H H 1 9.046 0.000 . 1 . . . . 65 LEU H . 15812 1 817 . 1 1 65 65 LEU HA H 1 4.771 0.008 . 1 . . . . 65 LEU HA . 15812 1 818 . 1 1 65 65 LEU HB2 H 1 1.680 0.000 . 2 . . . . 65 LEU HB2 . 15812 1 819 . 1 1 65 65 LEU HB3 H 1 1.279 0.002 . 2 . . . . 65 LEU HB3 . 15812 1 820 . 1 1 65 65 LEU HD11 H 1 0.864 0.006 . 2 . . . . 65 LEU QD1 . 15812 1 821 . 1 1 65 65 LEU HD12 H 1 0.864 0.006 . 2 . . . . 65 LEU QD1 . 15812 1 822 . 1 1 65 65 LEU HD13 H 1 0.864 0.006 . 2 . . . . 65 LEU QD1 . 15812 1 823 . 1 1 65 65 LEU HD21 H 1 0.774 0.003 . 2 . . . . 65 LEU QD2 . 15812 1 824 . 1 1 65 65 LEU HD22 H 1 0.774 0.003 . 2 . . . . 65 LEU QD2 . 15812 1 825 . 1 1 65 65 LEU HD23 H 1 0.774 0.003 . 2 . . . . 65 LEU QD2 . 15812 1 826 . 1 1 65 65 LEU HG H 1 1.711 0.003 . 1 . . . . 65 LEU HG . 15812 1 827 . 1 1 65 65 LEU C C 13 176.037 0.000 . 1 . . . . 65 LEU C . 15812 1 828 . 1 1 65 65 LEU CA C 13 52.958 0.000 . 1 . . . . 65 LEU CA . 15812 1 829 . 1 1 65 65 LEU CB C 13 46.634 0.000 . 1 . . . . 65 LEU CB . 15812 1 830 . 1 1 65 65 LEU CD1 C 13 25.205 0.000 . 1 . . . . 65 LEU CD1 . 15812 1 831 . 1 1 65 65 LEU CD2 C 13 25.380 0.000 . 1 . . . . 65 LEU CD2 . 15812 1 832 . 1 1 65 65 LEU CG C 13 26.683 0.154 . 1 . . . . 65 LEU CG . 15812 1 833 . 1 1 65 65 LEU N N 15 126.144 0.000 . 1 . . . . 65 LEU N . 15812 1 834 . 1 1 66 66 ARG H H 1 8.836 0.002 . 1 . . . . 66 ARG H . 15812 1 835 . 1 1 66 66 ARG HA H 1 4.608 0.003 . 1 . . . . 66 ARG HA . 15812 1 836 . 1 1 66 66 ARG HB2 H 1 2.261 0.001 . 2 . . . . 66 ARG HB2 . 15812 1 837 . 1 1 66 66 ARG HB3 H 1 1.615 0.003 . 2 . . . . 66 ARG HB3 . 15812 1 838 . 1 1 66 66 ARG HD2 H 1 3.047 0.002 . 2 . . . . 66 ARG HD2 . 15812 1 839 . 1 1 66 66 ARG HD3 H 1 3.299 0.000 . 2 . . . . 66 ARG HD3 . 15812 1 840 . 1 1 66 66 ARG HG2 H 1 1.850 0.000 . 2 . . . . 66 ARG HG2 . 15812 1 841 . 1 1 66 66 ARG HG3 H 1 1.699 0.000 . 2 . . . . 66 ARG HG3 . 15812 1 842 . 1 1 66 66 ARG C C 13 178.738 0.000 . 1 . . . . 66 ARG C . 15812 1 843 . 1 1 66 66 ARG CA C 13 53.876 0.000 . 1 . . . . 66 ARG CA . 15812 1 844 . 1 1 66 66 ARG CB C 13 29.167 0.000 . 1 . . . . 66 ARG CB . 15812 1 845 . 1 1 66 66 ARG CD C 13 41.463 0.000 . 1 . . . . 66 ARG CD . 15812 1 846 . 1 1 66 66 ARG CG C 13 26.247 0.000 . 1 . . . . 66 ARG CG . 15812 1 847 . 1 1 66 66 ARG N N 15 120.645 0.000 . 1 . . . . 66 ARG N . 15812 1 848 . 1 1 67 67 LYS H H 1 9.188 0.002 . 1 . . . . 67 LYS H . 15812 1 849 . 1 1 67 67 LYS HA H 1 3.820 0.005 . 1 . . . . 67 LYS HA . 15812 1 850 . 1 1 67 67 LYS HB2 H 1 1.736 0.000 . 2 . . . . 67 LYS HB2 . 15812 1 851 . 1 1 67 67 LYS HB3 H 1 1.942 0.000 . 2 . . . . 67 LYS HB3 . 15812 1 852 . 1 1 67 67 LYS HD2 H 1 1.620 0.000 . 2 . . . . 67 LYS HD2 . 15812 1 853 . 1 1 67 67 LYS HD3 H 1 1.624 0.002 . 2 . . . . 67 LYS HD3 . 15812 1 854 . 1 1 67 67 LYS HE2 H 1 2.906 0.000 . 2 . . . . 67 LYS HE2 . 15812 1 855 . 1 1 67 67 LYS HE3 H 1 2.915 0.000 . 2 . . . . 67 LYS HE3 . 15812 1 856 . 1 1 67 67 LYS HG2 H 1 1.470 0.007 . 2 . . . . 67 LYS HG2 . 15812 1 857 . 1 1 67 67 LYS HG3 H 1 1.308 0.001 . 2 . . . . 67 LYS HG3 . 15812 1 858 . 1 1 67 67 LYS C C 13 177.400 0.000 . 1 . . . . 67 LYS C . 15812 1 859 . 1 1 67 67 LYS CA C 13 60.427 0.000 . 1 . . . . 67 LYS CA . 15812 1 860 . 1 1 67 67 LYS CB C 13 31.921 0.000 . 1 . . . . 67 LYS CB . 15812 1 861 . 1 1 67 67 LYS CD C 13 29.456 0.062 . 1 . . . . 67 LYS CD . 15812 1 862 . 1 1 67 67 LYS CE C 13 42.111 0.000 . 1 . . . . 67 LYS CE . 15812 1 863 . 1 1 67 67 LYS CG C 13 24.855 0.000 . 1 . . . . 67 LYS CG . 15812 1 864 . 1 1 67 67 LYS N N 15 126.268 0.000 . 1 . . . . 67 LYS N . 15812 1 865 . 1 1 68 68 SER H H 1 8.520 0.001 . 1 . . . . 68 SER H . 15812 1 866 . 1 1 68 68 SER HA H 1 3.942 0.000 . 1 . . . . 68 SER HA . 15812 1 867 . 1 1 68 68 SER HB2 H 1 3.864 0.000 . 2 . . . . 68 SER HB2 . 15812 1 868 . 1 1 68 68 SER HB3 H 1 3.793 0.000 . 2 . . . . 68 SER HB3 . 15812 1 869 . 1 1 68 68 SER C C 13 175.566 0.000 . 1 . . . . 68 SER C . 15812 1 870 . 1 1 68 68 SER CA C 13 60.863 0.000 . 1 . . . . 68 SER CA . 15812 1 871 . 1 1 68 68 SER CB C 13 62.010 0.000 . 1 . . . . 68 SER CB . 15812 1 872 . 1 1 68 68 SER N N 15 110.712 0.000 . 1 . . . . 68 SER N . 15812 1 873 . 1 1 69 69 GLU H H 1 6.913 0.001 . 1 . . . . 69 GLU H . 15812 1 874 . 1 1 69 69 GLU HA H 1 4.158 0.003 . 1 . . . . 69 GLU HA . 15812 1 875 . 1 1 69 69 GLU HB2 H 1 2.399 0.005 . 1 . . . . 69 GLU HB2 . 15812 1 876 . 1 1 69 69 GLU HB3 H 1 1.726 0.000 . 1 . . . . 69 GLU HB3 . 15812 1 877 . 1 1 69 69 GLU HG2 H 1 2.179 0.006 . 2 . . . . 69 GLU HG2 . 15812 1 878 . 1 1 69 69 GLU HG3 H 1 2.234 0.000 . 2 . . . . 69 GLU HG3 . 15812 1 879 . 1 1 69 69 GLU C C 13 177.028 0.000 . 1 . . . . 69 GLU C . 15812 1 880 . 1 1 69 69 GLU CA C 13 57.854 0.000 . 1 . . . . 69 GLU CA . 15812 1 881 . 1 1 69 69 GLU CB C 13 30.124 0.000 . 1 . . . . 69 GLU CB . 15812 1 882 . 1 1 69 69 GLU CG C 13 36.906 0.065 . 1 . . . . 69 GLU CG . 15812 1 883 . 1 1 69 69 GLU N N 15 120.431 0.000 . 1 . . . . 69 GLU N . 15812 1 884 . 1 1 70 70 ALA H H 1 8.233 0.002 . 1 . . . . 70 ALA H . 15812 1 885 . 1 1 70 70 ALA HA H 1 3.884 0.004 . 1 . . . . 70 ALA HA . 15812 1 886 . 1 1 70 70 ALA HB1 H 1 1.303 0.000 . 1 . . . . 70 ALA QB . 15812 1 887 . 1 1 70 70 ALA HB2 H 1 1.303 0.000 . 1 . . . . 70 ALA QB . 15812 1 888 . 1 1 70 70 ALA HB3 H 1 1.303 0.000 . 1 . . . . 70 ALA QB . 15812 1 889 . 1 1 70 70 ALA C C 13 177.970 0.000 . 1 . . . . 70 ALA C . 15812 1 890 . 1 1 70 70 ALA CA C 13 54.386 0.000 . 1 . . . . 70 ALA CA . 15812 1 891 . 1 1 70 70 ALA CB C 13 19.138 0.000 . 1 . . . . 70 ALA CB . 15812 1 892 . 1 1 70 70 ALA N N 15 118.910 0.092 . 1 . . . . 70 ALA N . 15812 1 893 . 1 1 71 71 LYS H H 1 7.633 0.002 . 1 . . . . 71 LYS H . 15812 1 894 . 1 1 71 71 LYS HA H 1 4.256 0.004 . 1 . . . . 71 LYS HA . 15812 1 895 . 1 1 71 71 LYS HB2 H 1 1.678 0.000 . 2 . . . . 71 LYS HB2 . 15812 1 896 . 1 1 71 71 LYS HB3 H 1 1.798 0.006 . 2 . . . . 71 LYS HB3 . 15812 1 897 . 1 1 71 71 LYS HD2 H 1 1.619 0.001 . 2 . . . . 71 LYS HD2 . 15812 1 898 . 1 1 71 71 LYS HD3 H 1 1.615 0.000 . 2 . . . . 71 LYS HD3 . 15812 1 899 . 1 1 71 71 LYS HE2 H 1 2.992 0.000 . 2 . . . . 71 LYS HE2 . 15812 1 900 . 1 1 71 71 LYS HE3 H 1 2.996 0.000 . 2 . . . . 71 LYS HE3 . 15812 1 901 . 1 1 71 71 LYS HG2 H 1 1.424 0.000 . 2 . . . . 71 LYS HG2 . 15812 1 902 . 1 1 71 71 LYS HG3 H 1 1.400 0.000 . 2 . . . . 71 LYS HG3 . 15812 1 903 . 1 1 71 71 LYS C C 13 175.988 0.000 . 1 . . . . 71 LYS C . 15812 1 904 . 1 1 71 71 LYS CA C 13 57.803 0.000 . 1 . . . . 71 LYS CA . 15812 1 905 . 1 1 71 71 LYS CB C 13 32.178 0.000 . 1 . . . . 71 LYS CB . 15812 1 906 . 1 1 71 71 LYS CD C 13 29.433 0.057 . 1 . . . . 71 LYS CD . 15812 1 907 . 1 1 71 71 LYS CE C 13 42.141 0.000 . 1 . . . . 71 LYS CE . 15812 1 908 . 1 1 71 71 LYS CG C 13 23.908 0.000 . 1 . . . . 71 LYS CG . 15812 1 909 . 1 1 71 71 LYS N N 15 112.812 0.000 . 1 . . . . 71 LYS N . 15812 1 910 . 1 1 72 72 ASP H H 1 7.142 0.002 . 1 . . . . 72 ASP H . 15812 1 911 . 1 1 72 72 ASP HA H 1 4.749 0.004 . 1 . . . . 72 ASP HA . 15812 1 912 . 1 1 72 72 ASP HB2 H 1 2.712 0.005 . 1 . . . . 72 ASP HB2 . 15812 1 913 . 1 1 72 72 ASP HB3 H 1 2.882 0.005 . 1 . . . . 72 ASP HB3 . 15812 1 914 . 1 1 72 72 ASP C C 13 174.203 0.000 . 1 . . . . 72 ASP C . 15812 1 915 . 1 1 72 72 ASP CA C 13 53.774 0.000 . 1 . . . . 72 ASP CA . 15812 1 916 . 1 1 72 72 ASP CB C 13 40.318 0.095 . 1 . . . . 72 ASP CB . 15812 1 917 . 1 1 72 72 ASP N N 15 117.682 0.000 . 1 . . . . 72 ASP N . 15812 1 918 . 1 1 73 73 ILE H H 1 7.621 0.000 . 1 . . . . 73 ILE H . 15812 1 919 . 1 1 73 73 ILE HA H 1 4.181 0.006 . 1 . . . . 73 ILE HA . 15812 1 920 . 1 1 73 73 ILE HB H 1 1.927 0.004 . 1 . . . . 73 ILE HB . 15812 1 921 . 1 1 73 73 ILE HD11 H 1 0.678 0.001 . 1 . . . . 73 ILE QD1 . 15812 1 922 . 1 1 73 73 ILE HD12 H 1 0.678 0.001 . 1 . . . . 73 ILE QD1 . 15812 1 923 . 1 1 73 73 ILE HD13 H 1 0.678 0.001 . 1 . . . . 73 ILE QD1 . 15812 1 924 . 1 1 73 73 ILE HG12 H 1 1.847 0.002 . 2 . . . . 73 ILE HG12 . 15812 1 925 . 1 1 73 73 ILE HG13 H 1 0.686 0.000 . 2 . . . . 73 ILE HG13 . 15812 1 926 . 1 1 73 73 ILE HG21 H 1 0.751 0.001 . 1 . . . . 73 ILE QG2 . 15812 1 927 . 1 1 73 73 ILE HG22 H 1 0.751 0.001 . 1 . . . . 73 ILE QG2 . 15812 1 928 . 1 1 73 73 ILE HG23 H 1 0.751 0.001 . 1 . . . . 73 ILE QG2 . 15812 1 929 . 1 1 73 73 ILE C C 13 173.584 0.000 . 1 . . . . 73 ILE C . 15812 1 930 . 1 1 73 73 ILE CA C 13 61.136 0.097 . 1 . . . . 73 ILE CA . 15812 1 931 . 1 1 73 73 ILE CB C 13 38.832 0.000 . 1 . . . . 73 ILE CB . 15812 1 932 . 1 1 73 73 ILE CD1 C 13 18.485 0.038 . 1 . . . . 73 ILE CD1 . 15812 1 933 . 1 1 73 73 ILE CG1 C 13 27.425 0.000 . 1 . . . . 73 ILE CG1 . 15812 1 934 . 1 1 73 73 ILE CG2 C 13 16.059 0.000 . 1 . . . . 73 ILE CG2 . 15812 1 935 . 1 1 73 73 ILE N N 15 120.935 0.000 . 1 . . . . 73 ILE N . 15812 1 936 . 1 1 74 74 LEU H H 1 8.696 0.001 . 1 . . . . 74 LEU H . 15812 1 937 . 1 1 74 74 LEU HA H 1 4.863 0.000 . 1 . . . . 74 LEU HA . 15812 1 938 . 1 1 74 74 LEU HB2 H 1 1.092 0.005 . 2 . . . . 74 LEU HB2 . 15812 1 939 . 1 1 74 74 LEU HB3 H 1 1.587 0.005 . 2 . . . . 74 LEU HB3 . 15812 1 940 . 1 1 74 74 LEU HD11 H 1 0.728 0.008 . 2 . . . . 74 LEU QD1 . 15812 1 941 . 1 1 74 74 LEU HD12 H 1 0.728 0.008 . 2 . . . . 74 LEU QD1 . 15812 1 942 . 1 1 74 74 LEU HD13 H 1 0.728 0.008 . 2 . . . . 74 LEU QD1 . 15812 1 943 . 1 1 74 74 LEU HD21 H 1 0.606 0.007 . 2 . . . . 74 LEU QD2 . 15812 1 944 . 1 1 74 74 LEU HD22 H 1 0.606 0.007 . 2 . . . . 74 LEU QD2 . 15812 1 945 . 1 1 74 74 LEU HD23 H 1 0.606 0.007 . 2 . . . . 74 LEU QD2 . 15812 1 946 . 1 1 74 74 LEU HG H 1 1.446 0.000 . 1 . . . . 74 LEU HG . 15812 1 947 . 1 1 74 74 LEU C C 13 178.218 0.000 . 1 . . . . 74 LEU C . 15812 1 948 . 1 1 74 74 LEU CA C 13 53.142 0.000 . 1 . . . . 74 LEU CA . 15812 1 949 . 1 1 74 74 LEU CB C 13 43.064 0.000 . 1 . . . . 74 LEU CB . 15812 1 950 . 1 1 74 74 LEU CD1 C 13 24.920 0.000 . 1 . . . . 74 LEU CD1 . 15812 1 951 . 1 1 74 74 LEU CD2 C 13 22.403 0.000 . 1 . . . . 74 LEU CD2 . 15812 1 952 . 1 1 74 74 LEU CG C 13 26.719 0.000 . 1 . . . . 74 LEU CG . 15812 1 953 . 1 1 74 74 LEU N N 15 127.049 0.000 . 1 . . . . 74 LEU N . 15812 1 954 . 1 1 75 75 VAL H H 1 9.553 0.002 . 1 . . . . 75 VAL H . 15812 1 955 . 1 1 75 75 VAL HA H 1 5.338 0.003 . 1 . . . . 75 VAL HA . 15812 1 956 . 1 1 75 75 VAL HB H 1 1.990 0.004 . 1 . . . . 75 VAL HB . 15812 1 957 . 1 1 75 75 VAL HG11 H 1 0.817 0.000 . 1 . . . . 75 VAL QG1 . 15812 1 958 . 1 1 75 75 VAL HG12 H 1 0.817 0.000 . 1 . . . . 75 VAL QG1 . 15812 1 959 . 1 1 75 75 VAL HG13 H 1 0.817 0.000 . 1 . . . . 75 VAL QG1 . 15812 1 960 . 1 1 75 75 VAL HG21 H 1 0.625 0.007 . 1 . . . . 75 VAL QG2 . 15812 1 961 . 1 1 75 75 VAL HG22 H 1 0.625 0.007 . 1 . . . . 75 VAL QG2 . 15812 1 962 . 1 1 75 75 VAL HG23 H 1 0.625 0.007 . 1 . . . . 75 VAL QG2 . 15812 1 963 . 1 1 75 75 VAL C C 13 173.609 0.000 . 1 . . . . 75 VAL C . 15812 1 964 . 1 1 75 75 VAL CA C 13 58.415 0.000 . 1 . . . . 75 VAL CA . 15812 1 965 . 1 1 75 75 VAL CB C 13 36.296 0.000 . 1 . . . . 75 VAL CB . 15812 1 966 . 1 1 75 75 VAL CG1 C 13 23.038 0.000 . 1 . . . . 75 VAL CG1 . 15812 1 967 . 1 1 75 75 VAL CG2 C 13 18.428 0.000 . 1 . . . . 75 VAL CG2 . 15812 1 968 . 1 1 75 75 VAL N N 15 115.344 0.000 . 1 . . . . 75 VAL N . 15812 1 969 . 1 1 76 76 GLU H H 1 8.775 0.002 . 1 . . . . 76 GLU H . 15812 1 970 . 1 1 76 76 GLU HA H 1 4.786 0.004 . 1 . . . . 76 GLU HA . 15812 1 971 . 1 1 76 76 GLU HB2 H 1 1.907 0.000 . 2 . . . . 76 GLU HB2 . 15812 1 972 . 1 1 76 76 GLU HB3 H 1 1.914 0.000 . 2 . . . . 76 GLU HB3 . 15812 1 973 . 1 1 76 76 GLU HG2 H 1 2.106 0.000 . 2 . . . . 76 GLU HG2 . 15812 1 974 . 1 1 76 76 GLU HG3 H 1 2.100 0.000 . 2 . . . . 76 GLU HG3 . 15812 1 975 . 1 1 76 76 GLU C C 13 175.641 0.000 . 1 . . . . 76 GLU C . 15812 1 976 . 1 1 76 76 GLU CA C 13 53.723 0.000 . 1 . . . . 76 GLU CA . 15812 1 977 . 1 1 76 76 GLU CB C 13 33.015 0.000 . 1 . . . . 76 GLU CB . 15812 1 978 . 1 1 76 76 GLU CG C 13 35.877 0.000 . 1 . . . . 76 GLU CG . 15812 1 979 . 1 1 76 76 GLU N N 15 118.403 0.000 . 1 . . . . 76 GLU N . 15812 1 980 . 1 1 77 77 VAL H H 1 8.871 0.000 . 1 . . . . 77 VAL H . 15812 1 981 . 1 1 77 77 VAL HA H 1 3.967 0.007 . 1 . . . . 77 VAL HA . 15812 1 982 . 1 1 77 77 VAL HB H 1 1.995 0.003 . 1 . . . . 77 VAL HB . 15812 1 983 . 1 1 77 77 VAL HG11 H 1 0.966 0.001 . 2 . . . . 77 VAL QG1 . 15812 1 984 . 1 1 77 77 VAL HG12 H 1 0.966 0.001 . 2 . . . . 77 VAL QG1 . 15812 1 985 . 1 1 77 77 VAL HG13 H 1 0.966 0.001 . 2 . . . . 77 VAL QG1 . 15812 1 986 . 1 1 77 77 VAL HG21 H 1 0.829 0.000 . 2 . . . . 77 VAL QG2 . 15812 1 987 . 1 1 77 77 VAL HG22 H 1 0.829 0.000 . 2 . . . . 77 VAL QG2 . 15812 1 988 . 1 1 77 77 VAL HG23 H 1 0.829 0.000 . 2 . . . . 77 VAL QG2 . 15812 1 989 . 1 1 77 77 VAL C C 13 175.913 0.000 . 1 . . . . 77 VAL C . 15812 1 990 . 1 1 77 77 VAL CA C 13 63.668 0.000 . 1 . . . . 77 VAL CA . 15812 1 991 . 1 1 77 77 VAL CB C 13 31.856 0.000 . 1 . . . . 77 VAL CB . 15812 1 992 . 1 1 77 77 VAL CG1 C 13 22.237 0.094 . 1 . . . . 77 VAL CG1 . 15812 1 993 . 1 1 77 77 VAL CG2 C 13 23.012 0.000 . 1 . . . . 77 VAL CG2 . 15812 1 994 . 1 1 77 77 VAL N N 15 125.258 0.000 . 1 . . . . 77 VAL N . 15812 1 995 . 1 1 78 78 LEU H H 1 8.796 0.002 . 1 . . . . 78 LEU H . 15812 1 996 . 1 1 78 78 LEU HA H 1 4.454 0.001 . 1 . . . . 78 LEU HA . 15812 1 997 . 1 1 78 78 LEU HB2 H 1 1.397 0.001 . 2 . . . . 78 LEU HB2 . 15812 1 998 . 1 1 78 78 LEU HB3 H 1 1.542 0.000 . 2 . . . . 78 LEU HB3 . 15812 1 999 . 1 1 78 78 LEU HD11 H 1 0.770 0.000 . 2 . . . . 78 LEU QD1 . 15812 1 1000 . 1 1 78 78 LEU HD12 H 1 0.770 0.000 . 2 . . . . 78 LEU QD1 . 15812 1 1001 . 1 1 78 78 LEU HD13 H 1 0.770 0.000 . 2 . . . . 78 LEU QD1 . 15812 1 1002 . 1 1 78 78 LEU HD21 H 1 0.781 0.000 . 2 . . . . 78 LEU QD2 . 15812 1 1003 . 1 1 78 78 LEU HD22 H 1 0.781 0.000 . 2 . . . . 78 LEU QD2 . 15812 1 1004 . 1 1 78 78 LEU HD23 H 1 0.781 0.000 . 2 . . . . 78 LEU QD2 . 15812 1 1005 . 1 1 78 78 LEU HG H 1 1.542 0.000 . 1 . . . . 78 LEU HG . 15812 1 1006 . 1 1 78 78 LEU C C 13 176.260 0.000 . 1 . . . . 78 LEU C . 15812 1 1007 . 1 1 78 78 LEU CA C 13 54.487 0.008 . 1 . . . . 78 LEU CA . 15812 1 1008 . 1 1 78 78 LEU CB C 13 41.822 0.000 . 1 . . . . 78 LEU CB . 15812 1 1009 . 1 1 78 78 LEU CD1 C 13 24.730 0.000 . 1 . . . . 78 LEU CD1 . 15812 1 1010 . 1 1 78 78 LEU CD2 C 13 22.595 0.000 . 1 . . . . 78 LEU CD2 . 15812 1 1011 . 1 1 78 78 LEU CG C 13 26.618 0.000 . 1 . . . . 78 LEU CG . 15812 1 1012 . 1 1 78 78 LEU N N 15 129.285 0.000 . 1 . . . . 78 LEU N . 15812 1 1013 . 1 1 79 79 LEU H H 1 8.211 0.000 . 1 . . . . 79 LEU H . 15812 1 1014 . 1 1 79 79 LEU HA H 1 4.457 0.001 . 1 . . . . 79 LEU HA . 15812 1 1015 . 1 1 79 79 LEU HB2 H 1 1.561 0.000 . 2 . . . . 79 LEU HB2 . 15812 1 1016 . 1 1 79 79 LEU HB3 H 1 1.481 0.000 . 2 . . . . 79 LEU HB3 . 15812 1 1017 . 1 1 79 79 LEU HD11 H 1 0.903 0.000 . 1 . . . . 79 LEU QD1 . 15812 1 1018 . 1 1 79 79 LEU HD12 H 1 0.903 0.000 . 1 . . . . 79 LEU QD1 . 15812 1 1019 . 1 1 79 79 LEU HD13 H 1 0.903 0.000 . 1 . . . . 79 LEU QD1 . 15812 1 1020 . 1 1 79 79 LEU HD21 H 1 0.854 0.000 . 1 . . . . 79 LEU QD2 . 15812 1 1021 . 1 1 79 79 LEU HD22 H 1 0.854 0.000 . 1 . . . . 79 LEU QD2 . 15812 1 1022 . 1 1 79 79 LEU HD23 H 1 0.854 0.000 . 1 . . . . 79 LEU QD2 . 15812 1 1023 . 1 1 79 79 LEU HG H 1 1.512 0.000 . 1 . . . . 79 LEU HG . 15812 1 1024 . 1 1 79 79 LEU C C 13 176.582 0.000 . 1 . . . . 79 LEU C . 15812 1 1025 . 1 1 79 79 LEU CA C 13 54.477 0.005 . 1 . . . . 79 LEU CA . 15812 1 1026 . 1 1 79 79 LEU CB C 13 43.251 0.000 . 1 . . . . 79 LEU CB . 15812 1 1027 . 1 1 79 79 LEU CD1 C 13 24.730 0.000 . 1 . . . . 79 LEU CD1 . 15812 1 1028 . 1 1 79 79 LEU CD2 C 13 23.674 0.000 . 1 . . . . 79 LEU CD2 . 15812 1 1029 . 1 1 79 79 LEU CG C 13 26.510 0.000 . 1 . . . . 79 LEU CG . 15812 1 1030 . 1 1 79 79 LEU N N 15 123.126 0.000 . 1 . . . . 79 LEU N . 15812 1 1031 . 1 1 80 80 GLU H H 1 8.504 0.000 . 1 . . . . 80 GLU H . 15812 1 1032 . 1 1 80 80 GLU HA H 1 4.282 0.000 . 1 . . . . 80 GLU HA . 15812 1 1033 . 1 1 80 80 GLU HB2 H 1 1.891 0.000 . 2 . . . . 80 GLU HB2 . 15812 1 1034 . 1 1 80 80 GLU HB3 H 1 1.844 0.000 . 2 . . . . 80 GLU HB3 . 15812 1 1035 . 1 1 80 80 GLU HG2 H 1 2.127 0.000 . 2 . . . . 80 GLU HG2 . 15812 1 1036 . 1 1 80 80 GLU HG3 H 1 2.170 0.000 . 2 . . . . 80 GLU HG3 . 15812 1 1037 . 1 1 80 80 GLU C C 13 175.938 0.000 . 1 . . . . 80 GLU C . 15812 1 1038 . 1 1 80 80 GLU CA C 13 55.916 0.000 . 1 . . . . 80 GLU CA . 15812 1 1039 . 1 1 80 80 GLU CB C 13 30.749 0.000 . 1 . . . . 80 GLU CB . 15812 1 1040 . 1 1 80 80 GLU CG C 13 36.162 0.000 . 1 . . . . 80 GLU CG . 15812 1 1041 . 1 1 80 80 GLU N N 15 122.468 0.000 . 1 . . . . 80 GLU N . 15812 1 1042 . 1 1 81 81 HIS H H 1 8.398 0.000 . 1 . . . . 81 HIS H . 15812 1 1043 . 1 1 81 81 HIS HA H 1 4.571 0.000 . 1 . . . . 81 HIS HA . 15812 1 1044 . 1 1 81 81 HIS HB2 H 1 3.023 0.000 . 2 . . . . 81 HIS HB2 . 15812 1 1045 . 1 1 81 81 HIS HB3 H 1 3.018 0.000 . 2 . . . . 81 HIS HB3 . 15812 1 1046 . 1 1 81 81 HIS HD2 H 1 7.080 0.000 . 1 . . . . 81 HIS HD2 . 15812 1 1047 . 1 1 81 81 HIS HE1 H 1 8.080 0.000 . 1 . . . . 81 HIS HE1 . 15812 1 1048 . 1 1 81 81 HIS C C 13 173.906 0.000 . 1 . . . . 81 HIS C . 15812 1 1049 . 1 1 81 81 HIS CA C 13 55.763 0.000 . 1 . . . . 81 HIS CA . 15812 1 1050 . 1 1 81 81 HIS CB C 13 29.933 0.000 . 1 . . . . 81 HIS CB . 15812 1 1051 . 1 1 81 81 HIS CD2 C 13 119.840 0.000 . 1 . . . . 81 HIS CD2 . 15812 1 1052 . 1 1 81 81 HIS CE1 C 13 136.050 0.000 . 1 . . . . 81 HIS CE1 . 15812 1 1053 . 1 1 81 81 HIS N N 15 120.282 0.000 . 1 . . . . 81 HIS N . 15812 1 1054 . 1 1 82 82 HIS H H 1 8.098 0.000 . 1 . . . . 82 HIS H . 15812 1 1055 . 1 1 82 82 HIS HA H 1 4.621 0.000 . 1 . . . . 82 HIS HA . 15812 1 1056 . 1 1 82 82 HIS HB2 H 1 3.055 0.000 . 2 . . . . 82 HIS HB2 . 15812 1 1057 . 1 1 82 82 HIS HB3 H 1 3.055 0.000 . 2 . . . . 82 HIS HB3 . 15812 1 1058 . 1 1 82 82 HIS HD2 H 1 7.080 0.000 . 1 . . . . 82 HIS HD2 . 15812 1 1059 . 1 1 82 82 HIS HE1 H 1 8.080 0.000 . 1 . . . . 82 HIS HE1 . 15812 1 1060 . 1 1 82 82 HIS CA C 13 56.370 0.000 . 1 . . . . 82 HIS CA . 15812 1 1061 . 1 1 82 82 HIS CB C 13 30.065 0.000 . 1 . . . . 82 HIS CB . 15812 1 1062 . 1 1 82 82 HIS CD2 C 13 119.840 0.000 . 1 . . . . 82 HIS CD2 . 15812 1 1063 . 1 1 82 82 HIS CE1 C 13 136.050 0.000 . 1 . . . . 82 HIS CE1 . 15812 1 1064 . 1 1 82 82 HIS N N 15 125.238 0.000 . 1 . . . . 82 HIS N . 15812 1 1065 . 1 1 83 83 HIS H H 1 8.250 0.000 . 1 . . . . 83 HIS H . 15812 1 stop_ save_