data_16083 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16083 _Entry.Title ; Northeast Structural Genomics Consortium (NESG), target MrR121A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-22 _Entry.Accession_date 2008-12-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Adam Barb . W. . 16083 2 'Hsiau Wei' Lee . . . 16083 3 Xu Wang . . . 16083 4 Melissa Magliqui . . . 16083 5 Mei Jiang . . . 16083 6 Colleen Ciccosanti . . . 16083 7 Rong Xiao . . . 16083 8 Jinfeng Lui . . . 16083 9 John Everett . K. . 16083 10 G.V.T Swapna . . . 16083 11 Thomas Acton . B. . 16083 12 Burkhard Rost . . . 16083 13 Gaetano Montelione . T. . 16083 14 James Prestegard . H. . 16083 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16083 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Tetratricopeptide repeat' . 16083 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16083 RDCs 2 16083 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 16083 '15N chemical shifts' 100 16083 '1H chemical shifts' 578 16083 'residual dipolar couplings' 144 16083 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 . . 2010-06-02 2008-12-22 update BMRB 'edit assembly name' 16083 1 . . 2009-01-13 2008-12-22 original author 'original release' 16083 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCK 'BMRB Entry Tracking System' 16083 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16083 _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 'Northeast Structural Genomics Target MrR121A' _Citation.Status 'in preparation' _Citation.Type internet _Citation.Journal_abbrev . _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 Adam Barb . W. . 16083 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16083 _Assembly.ID 1 _Assembly.Name MrR121A _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 MrR121a 1 $MrR121a A . yes native no no . . . 16083 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MrR121a _Entity.Sf_category entity _Entity.Sf_framecode MrR121a _Entity.Entry_ID 16083 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MrR121a _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 ; MVDQNPEEYYLEGVLQYDAG NYTESIDLFEKAIQLDPEES KYWLMKGKALYNLERYEEAV DCYNYVINVIEDEYNKDVWA AKADALRYIEGKEVEAEIAE ARAKLEHHHHHH ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40685.895 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KCK . "Nmr Solution Structure Of The Northeast Structural Genomics Consortium (Nesg) Target Mrr121a" . . . . . 100.00 112 100.00 100.00 2.04e-73 . . . . 16083 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 . 16083 1 2 . VAL . 16083 1 3 . ASP . 16083 1 4 . GLN . 16083 1 5 . ASN . 16083 1 6 . PRO . 16083 1 7 . GLU . 16083 1 8 . GLU . 16083 1 9 . TYR . 16083 1 10 . TYR . 16083 1 11 . LEU . 16083 1 12 . GLU . 16083 1 13 . GLY . 16083 1 14 . VAL . 16083 1 15 . LEU . 16083 1 16 . GLN . 16083 1 17 . TYR . 16083 1 18 . ASP . 16083 1 19 . ALA . 16083 1 20 . GLY . 16083 1 21 . ASN . 16083 1 22 . TYR . 16083 1 23 . THR . 16083 1 24 . GLU . 16083 1 25 . SER . 16083 1 26 . ILE . 16083 1 27 . ASP . 16083 1 28 . LEU . 16083 1 29 . PHE . 16083 1 30 . GLU . 16083 1 31 . LYS . 16083 1 32 . ALA . 16083 1 33 . ILE . 16083 1 34 . GLN . 16083 1 35 . LEU . 16083 1 36 . ASP . 16083 1 37 . PRO . 16083 1 38 . GLU . 16083 1 39 . GLU . 16083 1 40 . SER . 16083 1 41 . LYS . 16083 1 42 . TYR . 16083 1 43 . TRP . 16083 1 44 . LEU . 16083 1 45 . MET . 16083 1 46 . LYS . 16083 1 47 . GLY . 16083 1 48 . LYS . 16083 1 49 . ALA . 16083 1 50 . LEU . 16083 1 51 . TYR . 16083 1 52 . ASN . 16083 1 53 . LEU . 16083 1 54 . GLU . 16083 1 55 . ARG . 16083 1 56 . TYR . 16083 1 57 . GLU . 16083 1 58 . GLU . 16083 1 59 . ALA . 16083 1 60 . VAL . 16083 1 61 . ASP . 16083 1 62 . CYS . 16083 1 63 . TYR . 16083 1 64 . ASN . 16083 1 65 . TYR . 16083 1 66 . VAL . 16083 1 67 . ILE . 16083 1 68 . ASN . 16083 1 69 . VAL . 16083 1 70 . ILE . 16083 1 71 . GLU . 16083 1 72 . ASP . 16083 1 73 . GLU . 16083 1 74 . TYR . 16083 1 75 . ASN . 16083 1 76 . LYS . 16083 1 77 . ASP . 16083 1 78 . VAL . 16083 1 79 . TRP . 16083 1 80 . ALA . 16083 1 81 . ALA . 16083 1 82 . LYS . 16083 1 83 . ALA . 16083 1 84 . ASP . 16083 1 85 . ALA . 16083 1 86 . LEU . 16083 1 87 . ARG . 16083 1 88 . TYR . 16083 1 89 . ILE . 16083 1 90 . GLU . 16083 1 91 . GLY . 16083 1 92 . LYS . 16083 1 93 . GLU . 16083 1 94 . VAL . 16083 1 95 . GLU . 16083 1 96 . ALA . 16083 1 97 . GLU . 16083 1 98 . ILE . 16083 1 99 . ALA . 16083 1 100 . GLU . 16083 1 101 . ALA . 16083 1 102 . ARG . 16083 1 103 . ALA . 16083 1 104 . LYS . 16083 1 105 . LEU . 16083 1 106 . GLU . 16083 1 107 . HIS . 16083 1 108 . HIS . 16083 1 109 . HIS . 16083 1 110 . HIS . 16083 1 111 . HIS . 16083 1 112 . HIS . 16083 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 16083 1 . VAL 2 2 16083 1 . ASP 3 3 16083 1 . GLN 4 4 16083 1 . ASN 5 5 16083 1 . PRO 6 6 16083 1 . GLU 7 7 16083 1 . GLU 8 8 16083 1 . TYR 9 9 16083 1 . TYR 10 10 16083 1 . LEU 11 11 16083 1 . GLU 12 12 16083 1 . GLY 13 13 16083 1 . VAL 14 14 16083 1 . LEU 15 15 16083 1 . GLN 16 16 16083 1 . TYR 17 17 16083 1 . ASP 18 18 16083 1 . ALA 19 19 16083 1 . GLY 20 20 16083 1 . ASN 21 21 16083 1 . TYR 22 22 16083 1 . THR 23 23 16083 1 . GLU 24 24 16083 1 . SER 25 25 16083 1 . ILE 26 26 16083 1 . ASP 27 27 16083 1 . LEU 28 28 16083 1 . PHE 29 29 16083 1 . GLU 30 30 16083 1 . LYS 31 31 16083 1 . ALA 32 32 16083 1 . ILE 33 33 16083 1 . GLN 34 34 16083 1 . LEU 35 35 16083 1 . ASP 36 36 16083 1 . PRO 37 37 16083 1 . GLU 38 38 16083 1 . GLU 39 39 16083 1 . SER 40 40 16083 1 . LYS 41 41 16083 1 . TYR 42 42 16083 1 . TRP 43 43 16083 1 . LEU 44 44 16083 1 . MET 45 45 16083 1 . LYS 46 46 16083 1 . GLY 47 47 16083 1 . LYS 48 48 16083 1 . ALA 49 49 16083 1 . LEU 50 50 16083 1 . TYR 51 51 16083 1 . ASN 52 52 16083 1 . LEU 53 53 16083 1 . GLU 54 54 16083 1 . ARG 55 55 16083 1 . TYR 56 56 16083 1 . GLU 57 57 16083 1 . GLU 58 58 16083 1 . ALA 59 59 16083 1 . VAL 60 60 16083 1 . ASP 61 61 16083 1 . CYS 62 62 16083 1 . TYR 63 63 16083 1 . ASN 64 64 16083 1 . TYR 65 65 16083 1 . VAL 66 66 16083 1 . ILE 67 67 16083 1 . ASN 68 68 16083 1 . VAL 69 69 16083 1 . ILE 70 70 16083 1 . GLU 71 71 16083 1 . ASP 72 72 16083 1 . GLU 73 73 16083 1 . TYR 74 74 16083 1 . ASN 75 75 16083 1 . LYS 76 76 16083 1 . ASP 77 77 16083 1 . VAL 78 78 16083 1 . TRP 79 79 16083 1 . ALA 80 80 16083 1 . ALA 81 81 16083 1 . LYS 82 82 16083 1 . ALA 83 83 16083 1 . ASP 84 84 16083 1 . ALA 85 85 16083 1 . LEU 86 86 16083 1 . ARG 87 87 16083 1 . TYR 88 88 16083 1 . ILE 89 89 16083 1 . GLU 90 90 16083 1 . GLY 91 91 16083 1 . LYS 92 92 16083 1 . GLU 93 93 16083 1 . VAL 94 94 16083 1 . GLU 95 95 16083 1 . ALA 96 96 16083 1 . GLU 97 97 16083 1 . ILE 98 98 16083 1 . ALA 99 99 16083 1 . GLU 100 100 16083 1 . ALA 101 101 16083 1 . ARG 102 102 16083 1 . ALA 103 103 16083 1 . LYS 104 104 16083 1 . LEU 105 105 16083 1 . GLU 106 106 16083 1 . HIS 107 107 16083 1 . HIS 108 108 16083 1 . HIS 109 109 16083 1 . HIS 110 110 16083 1 . HIS 111 111 16083 1 . HIS 112 112 16083 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 16083 _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 $MrR121a . 39152 organism . 'Methanococcus maripaludis' 'Methanococcus maripaludis' . . Archaea . Methanococcus maripaludis . . . . . . . . . . . . . . . . 'TRP Repeat' . 'construct dervied from UniProtKB/TrEMBL entry Q6LY49' . . 16083 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 16083 _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 $MrR121a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21' . . . . . . 16083 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16083 _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 MrR121a '[U-100% 13C; U-100% 15N]' . . 1 $MrR121a . . 1 . . mM . . . . 16083 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16083 1 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16083 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16083 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16083 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16083 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16083 _Sample.ID 2 _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 MrR121a '[U-100% 13C; U-100% 15N]' . . 1 $MrR121a . . 1 . . mM . . . . 16083 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16083 2 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16083 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16083 2 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16083 2 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16083 2 7 Phage 'natural abundance' . . . . . . 2.92 . . 'mg / mL' . . . . 16083 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16083 _Sample.ID 3 _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 MrR121a '[U-100% 13C; U-100% 15N]' . . 1 $MrR121a . . 1 . . mM . . . . 16083 3 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 16083 3 3 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 16083 3 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16083 3 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16083 3 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16083 3 7 PEG 'natural abundance' . . . . . . 4.11 . . % . . . . 16083 3 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 16083 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; isotropic solution 0.02% NaN3, 100 mM DTT, 5 mM CaCl2, 200 mM NaCl, 20 mM MES pH 6.5 ; 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' 200 . mM 16083 1 pH 6.5 . pH 16083 1 pressure 1 . atm 16083 1 temperature 298 . K 16083 1 stop_ save_ save_sample_conditions2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions2 _Sample_condition_list.Entry_ID 16083 _Sample_condition_list.ID 2 _Sample_condition_list.Details ; Pf1 Phage alignment 0.02% NaN3, 100 mM DTT, 5 mM CaCl2, 200 mM NaCl, 20 mM MES pH 6.5, 2.92 mg / mL Phage ; 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 pH 6.5 . pH 16083 2 temperature 298 . K 16083 2 stop_ save_ save_sample_conditions3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions3 _Sample_condition_list.Entry_ID 16083 _Sample_condition_list.ID 3 _Sample_condition_list.Details ; PEG alignment 0.02% NaN3, 100 mM DTT, 5 mM CaCl2, 200 mM NaCl, 20 mM MES pH 6.5, 4.11% PEG ; 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 pH 6.5 . pH 16083 3 temperature 298 . K 16083 3 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16083 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16083 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16083 1 'data analysis' 16083 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16083 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16083 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16083 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16083 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16083 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16083 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 16083 _Software.ID 4 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 16083 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16083 4 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 16083 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16083 _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 . 600 . . . 16083 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 16083 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 2 $sample_conditions2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_conditions3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16083 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 16083 _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 . . . . . . . . . 16083 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16083 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16083 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 16083 _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 2 '3D HNCACB' . . . 16083 1 3 '3D HNCO' . . . 16083 1 9 '2D 1H-1H TOCSY' . . . 16083 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 16083 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 6 6 PRO HA H 1 4.3100 0.05 . 1 . . . . 6 PRO HA . 16083 1 2 . 1 1 6 6 PRO HB2 H 1 2.7080 0.05 . 2 . . . . 6 PRO HB1 . 16083 1 3 . 1 1 6 6 PRO HB3 H 1 2.6260 0.05 . 2 . . . . 6 PRO HB2 . 16083 1 4 . 1 1 6 6 PRO HD2 H 1 4.2390 0.05 . 2 . . . . 6 PRO HD1 . 16083 1 5 . 1 1 6 6 PRO HD3 H 1 3.7010 0.05 . 2 . . . . 6 PRO HD2 . 16083 1 6 . 1 1 6 6 PRO HG2 H 1 2.4830 0.05 . 2 . . . . 6 PRO HG1 . 16083 1 7 . 1 1 6 6 PRO HG3 H 1 2.2950 0.05 . 2 . . . . 6 PRO HG2 . 16083 1 8 . 1 1 6 6 PRO C C 13 177.5830 0.30 . 1 . . . . 6 PRO C . 16083 1 9 . 1 1 6 6 PRO CA C 13 65.4550 0.30 . 1 . . . . 6 PRO CA . 16083 1 10 . 1 1 6 6 PRO CB C 13 31.2310 0.30 . 1 . . . . 6 PRO CB . 16083 1 11 . 1 1 6 6 PRO CD C 13 51.0160 0.30 . 1 . . . . 6 PRO CD . 16083 1 12 . 1 1 6 6 PRO CG C 13 27.5310 0.30 . 1 . . . . 6 PRO CG . 16083 1 13 . 1 1 7 7 GLU H H 1 8.0580 0.05 . 1 . . . . 7 GLU HN . 16083 1 14 . 1 1 7 7 GLU HA H 1 4.3140 0.05 . 1 . . . . 7 GLU HA . 16083 1 15 . 1 1 7 7 GLU C C 13 178.8140 0.30 . 1 . . . . 7 GLU C . 16083 1 16 . 1 1 7 7 GLU CA C 13 58.5770 0.30 . 1 . . . . 7 GLU CA . 16083 1 17 . 1 1 7 7 GLU CB C 13 29.8060 0.30 . 1 . . . . 7 GLU CB . 16083 1 18 . 1 1 7 7 GLU N N 15 116.3930 0.50 . 1 . . . . 7 GLU N . 16083 1 19 . 1 1 8 8 GLU H H 1 7.4580 0.05 . 1 . . . . 8 GLU HN . 16083 1 20 . 1 1 8 8 GLU HA H 1 4.0290 0.05 . 1 . . . . 8 GLU HA . 16083 1 21 . 1 1 8 8 GLU C C 13 179.7940 0.30 . 1 . . . . 8 GLU C . 16083 1 22 . 1 1 8 8 GLU CA C 13 59.3690 0.30 . 1 . . . . 8 GLU CA . 16083 1 23 . 1 1 8 8 GLU CB C 13 29.4550 0.30 . 1 . . . . 8 GLU CB . 16083 1 24 . 1 1 8 8 GLU N N 15 117.8870 0.50 . 1 . . . . 8 GLU N . 16083 1 25 . 1 1 9 9 TYR H H 1 6.8890 0.05 . 1 . . . . 9 TYR HN . 16083 1 26 . 1 1 9 9 TYR HA H 1 4.3010 0.05 . 1 . . . . 9 TYR HA . 16083 1 27 . 1 1 9 9 TYR HB2 H 1 3.3300 0.05 . 2 . . . . 9 TYR HB1 . 16083 1 28 . 1 1 9 9 TYR HB3 H 1 2.7090 0.05 . 2 . . . . 9 TYR HB2 . 16083 1 29 . 1 1 9 9 TYR HD1 H 1 6.8800 0.05 . 3 . . . . 9 TYR HD1 . 16083 1 30 . 1 1 9 9 TYR HD2 H 1 6.8800 0.05 . 3 . . . . 9 TYR HD2 . 16083 1 31 . 1 1 9 9 TYR HE1 H 1 6.7140 0.05 . 3 . . . . 9 TYR HE1 . 16083 1 32 . 1 1 9 9 TYR HE2 H 1 6.7140 0.05 . 3 . . . . 9 TYR HE2 . 16083 1 33 . 1 1 9 9 TYR C C 13 177.7560 0.30 . 1 . . . . 9 TYR C . 16083 1 34 . 1 1 9 9 TYR CA C 13 60.7540 0.30 . 1 . . . . 9 TYR CA . 16083 1 35 . 1 1 9 9 TYR CB C 13 37.3190 0.30 . 1 . . . . 9 TYR CB . 16083 1 36 . 1 1 9 9 TYR N N 15 117.8760 0.50 . 1 . . . . 9 TYR N . 16083 1 37 . 1 1 10 10 TYR H H 1 8.1380 0.05 . 1 . . . . 10 TYR HN . 16083 1 38 . 1 1 10 10 TYR HA H 1 4.0180 0.05 . 1 . . . . 10 TYR HA . 16083 1 39 . 1 1 10 10 TYR HB2 H 1 3.1570 0.05 . 2 . . . . 10 TYR HB1 . 16083 1 40 . 1 1 10 10 TYR HB3 H 1 2.8370 0.05 . 2 . . . . 10 TYR HB2 . 16083 1 41 . 1 1 10 10 TYR HD1 H 1 7.1120 0.05 . 3 . . . . 10 TYR HD1 . 16083 1 42 . 1 1 10 10 TYR HD2 H 1 7.1120 0.05 . 3 . . . . 10 TYR HD2 . 16083 1 43 . 1 1 10 10 TYR HE1 H 1 6.6630 0.05 . 3 . . . . 10 TYR HE1 . 16083 1 44 . 1 1 10 10 TYR HE2 H 1 6.6630 0.05 . 3 . . . . 10 TYR HE2 . 16083 1 45 . 1 1 10 10 TYR C C 13 176.2310 0.30 . 1 . . . . 10 TYR C . 16083 1 46 . 1 1 10 10 TYR CA C 13 62.0310 0.30 . 1 . . . . 10 TYR CA . 16083 1 47 . 1 1 10 10 TYR CB C 13 38.9510 0.30 . 1 . . . . 10 TYR CB . 16083 1 48 . 1 1 10 10 TYR N N 15 118.8740 0.50 . 1 . . . . 10 TYR N . 16083 1 49 . 1 1 11 11 LEU H H 1 8.5970 0.05 . 1 . . . . 11 LEU HN . 16083 1 50 . 1 1 11 11 LEU HA H 1 3.7970 0.05 . 1 . . . . 11 LEU HA . 16083 1 51 . 1 1 11 11 LEU HB2 H 1 1.9060 0.05 . 2 . . . . 11 LEU HB1 . 16083 1 52 . 1 1 11 11 LEU HB3 H 1 1.5830 0.05 . 2 . . . . 11 LEU HB2 . 16083 1 53 . 1 1 11 11 LEU HD11 H 1 0.9630 0.05 . 2 . . . . 11 LEU HD11 . 16083 1 54 . 1 1 11 11 LEU HD12 H 1 0.9630 0.05 . 2 . . . . 11 LEU HD11 . 16083 1 55 . 1 1 11 11 LEU HD13 H 1 0.9630 0.05 . 2 . . . . 11 LEU HD11 . 16083 1 56 . 1 1 11 11 LEU HD21 H 1 0.9670 0.05 . 2 . . . . 11 LEU HD21 . 16083 1 57 . 1 1 11 11 LEU HD22 H 1 0.9670 0.05 . 2 . . . . 11 LEU HD21 . 16083 1 58 . 1 1 11 11 LEU HD23 H 1 0.9670 0.05 . 2 . . . . 11 LEU HD21 . 16083 1 59 . 1 1 11 11 LEU HG H 1 2.0450 0.05 . 1 . . . . 11 LEU HG . 16083 1 60 . 1 1 11 11 LEU C C 13 180.2570 0.30 . 1 . . . . 11 LEU C . 16083 1 61 . 1 1 11 11 LEU CA C 13 58.2950 0.30 . 1 . . . . 11 LEU CA . 16083 1 62 . 1 1 11 11 LEU CB C 13 41.5410 0.30 . 1 . . . . 11 LEU CB . 16083 1 63 . 1 1 11 11 LEU CD1 C 13 25.3210 0.30 . 2 . . . . 11 LEU CD1 . 16083 1 64 . 1 1 11 11 LEU CD2 C 13 22.8230 0.30 . 2 . . . . 11 LEU CD2 . 16083 1 65 . 1 1 11 11 LEU CG C 13 27.1640 0.30 . 1 . . . . 11 LEU CG . 16083 1 66 . 1 1 11 11 LEU N N 15 119.2670 0.50 . 1 . . . . 11 LEU N . 16083 1 67 . 1 1 12 12 GLU H H 1 7.6400 0.05 . 1 . . . . 12 GLU HN . 16083 1 68 . 1 1 12 12 GLU HA H 1 4.0330 0.05 . 1 . . . . 12 GLU HA . 16083 1 69 . 1 1 12 12 GLU C C 13 179.0500 0.30 . 1 . . . . 12 GLU C . 16083 1 70 . 1 1 12 12 GLU CA C 13 59.1370 0.30 . 1 . . . . 12 GLU CA . 16083 1 71 . 1 1 12 12 GLU CB C 13 29.3510 0.30 . 1 . . . . 12 GLU CB . 16083 1 72 . 1 1 12 12 GLU N N 15 119.4590 0.50 . 1 . . . . 12 GLU N . 16083 1 73 . 1 1 13 13 GLY H H 1 8.6240 0.05 . 1 . . . . 13 GLY HN . 16083 1 74 . 1 1 13 13 GLY HA2 H 1 3.0830 0.05 . 2 . . . . 13 GLY HA1 . 16083 1 75 . 1 1 13 13 GLY HA3 H 1 2.8630 0.05 . 2 . . . . 13 GLY HA2 . 16083 1 76 . 1 1 13 13 GLY C C 13 175.6510 0.30 . 1 . . . . 13 GLY C . 16083 1 77 . 1 1 13 13 GLY CA C 13 48.5920 0.30 . 1 . . . . 13 GLY CA . 16083 1 78 . 1 1 13 13 GLY N N 15 110.1750 0.50 . 1 . . . . 13 GLY N . 16083 1 79 . 1 1 14 14 VAL H H 1 8.7570 0.05 . 1 . . . . 14 VAL HN . 16083 1 80 . 1 1 14 14 VAL HA H 1 3.5320 0.05 . 1 . . . . 14 VAL HA . 16083 1 81 . 1 1 14 14 VAL HB H 1 1.9870 0.05 . 1 . . . . 14 VAL HB . 16083 1 82 . 1 1 14 14 VAL HG11 H 1 0.9100 0.05 . 2 . . . . 14 VAL HG11 . 16083 1 83 . 1 1 14 14 VAL HG12 H 1 0.9100 0.05 . 2 . . . . 14 VAL HG11 . 16083 1 84 . 1 1 14 14 VAL HG13 H 1 0.9100 0.05 . 2 . . . . 14 VAL HG11 . 16083 1 85 . 1 1 14 14 VAL HG21 H 1 0.6010 0.05 . 2 . . . . 14 VAL HG21 . 16083 1 86 . 1 1 14 14 VAL HG22 H 1 0.6010 0.05 . 2 . . . . 14 VAL HG21 . 16083 1 87 . 1 1 14 14 VAL HG23 H 1 0.6010 0.05 . 2 . . . . 14 VAL HG21 . 16083 1 88 . 1 1 14 14 VAL C C 13 177.1030 0.30 . 1 . . . . 14 VAL C . 16083 1 89 . 1 1 14 14 VAL CA C 13 67.6610 0.30 . 1 . . . . 14 VAL CA . 16083 1 90 . 1 1 14 14 VAL CB C 13 31.4300 0.30 . 1 . . . . 14 VAL CB . 16083 1 91 . 1 1 14 14 VAL CG1 C 13 21.5700 0.30 . 2 . . . . 14 VAL CG1 . 16083 1 92 . 1 1 14 14 VAL CG2 C 13 17.4500 0.30 . 2 . . . . 14 VAL CG2 . 16083 1 93 . 1 1 14 14 VAL N N 15 124.3610 0.50 . 1 . . . . 14 VAL N . 16083 1 94 . 1 1 15 15 LEU H H 1 7.5550 0.05 . 1 . . . . 15 LEU HN . 16083 1 95 . 1 1 15 15 LEU HA H 1 4.0890 0.05 . 1 . . . . 15 LEU HA . 16083 1 96 . 1 1 15 15 LEU HB2 H 1 1.9110 0.05 . 2 . . . . 15 LEU HB1 . 16083 1 97 . 1 1 15 15 LEU HB3 H 1 1.5690 0.05 . 2 . . . . 15 LEU HB2 . 16083 1 98 . 1 1 15 15 LEU HD11 H 1 0.8930 0.05 . 2 . . . . 15 LEU HD11 . 16083 1 99 . 1 1 15 15 LEU HD12 H 1 0.8930 0.05 . 2 . . . . 15 LEU HD11 . 16083 1 100 . 1 1 15 15 LEU HD13 H 1 0.8930 0.05 . 2 . . . . 15 LEU HD11 . 16083 1 101 . 1 1 15 15 LEU HD21 H 1 0.8620 0.05 . 2 . . . . 15 LEU HD21 . 16083 1 102 . 1 1 15 15 LEU HD22 H 1 0.8620 0.05 . 2 . . . . 15 LEU HD21 . 16083 1 103 . 1 1 15 15 LEU HD23 H 1 0.8620 0.05 . 2 . . . . 15 LEU HD21 . 16083 1 104 . 1 1 15 15 LEU HG H 1 1.7620 0.05 . 1 . . . . 15 LEU HG . 16083 1 105 . 1 1 15 15 LEU C C 13 181.3530 0.30 . 1 . . . . 15 LEU C . 16083 1 106 . 1 1 15 15 LEU CA C 13 58.7750 0.30 . 1 . . . . 15 LEU CA . 16083 1 107 . 1 1 15 15 LEU CB C 13 39.8710 0.30 . 1 . . . . 15 LEU CB . 16083 1 108 . 1 1 15 15 LEU CD1 C 13 25.6220 0.30 . 2 . . . . 15 LEU CD1 . 16083 1 109 . 1 1 15 15 LEU CD2 C 13 23.4670 0.30 . 2 . . . . 15 LEU CD2 . 16083 1 110 . 1 1 15 15 LEU CG C 13 26.7390 0.30 . 1 . . . . 15 LEU CG . 16083 1 111 . 1 1 15 15 LEU N N 15 119.9750 0.50 . 1 . . . . 15 LEU N . 16083 1 112 . 1 1 16 16 GLN H H 1 7.8780 0.05 . 1 . . . . 16 GLN HN . 16083 1 113 . 1 1 16 16 GLN C C 13 177.6750 0.30 . 1 . . . . 16 GLN C . 16083 1 114 . 1 1 16 16 GLN CA C 13 58.0230 0.30 . 1 . . . . 16 GLN CA . 16083 1 115 . 1 1 16 16 GLN CB C 13 27.1620 0.30 . 1 . . . . 16 GLN CB . 16083 1 116 . 1 1 16 16 GLN N N 15 117.1710 0.50 . 1 . . . . 16 GLN N . 16083 1 117 . 1 1 17 17 TYR H H 1 9.0440 0.05 . 1 . . . . 17 TYR HN . 16083 1 118 . 1 1 17 17 TYR HA H 1 3.6370 0.05 . 1 . . . . 17 TYR HA . 16083 1 119 . 1 1 17 17 TYR HB2 H 1 3.5830 0.05 . 2 . . . . 17 TYR HB1 . 16083 1 120 . 1 1 17 17 TYR HB3 H 1 3.1890 0.05 . 2 . . . . 17 TYR HB2 . 16083 1 121 . 1 1 17 17 TYR HD1 H 1 7.4220 0.05 . 3 . . . . 17 TYR HD1 . 16083 1 122 . 1 1 17 17 TYR HD2 H 1 7.4220 0.05 . 3 . . . . 17 TYR HD2 . 16083 1 123 . 1 1 17 17 TYR HE1 H 1 6.7170 0.05 . 3 . . . . 17 TYR HE1 . 16083 1 124 . 1 1 17 17 TYR HE2 H 1 6.7170 0.05 . 3 . . . . 17 TYR HE2 . 16083 1 125 . 1 1 17 17 TYR C C 13 179.5910 0.30 . 1 . . . . 17 TYR C . 16083 1 126 . 1 1 17 17 TYR CA C 13 62.2330 0.30 . 1 . . . . 17 TYR CA . 16083 1 127 . 1 1 17 17 TYR CB C 13 38.7590 0.30 . 1 . . . . 17 TYR CB . 16083 1 128 . 1 1 17 17 TYR N N 15 124.1390 0.50 . 1 . . . . 17 TYR N . 16083 1 129 . 1 1 18 18 ASP H H 1 9.4080 0.05 . 1 . . . . 18 ASP HN . 16083 1 130 . 1 1 18 18 ASP HA H 1 4.3920 0.05 . 1 . . . . 18 ASP HA . 16083 1 131 . 1 1 18 18 ASP HB2 H 1 2.8330 0.05 . 2 . . . . 18 ASP HB1 . 16083 1 132 . 1 1 18 18 ASP HB3 H 1 2.6320 0.05 . 2 . . . . 18 ASP HB2 . 16083 1 133 . 1 1 18 18 ASP C C 13 177.4320 0.30 . 1 . . . . 18 ASP C . 16083 1 134 . 1 1 18 18 ASP CA C 13 57.1550 0.30 . 1 . . . . 18 ASP CA . 16083 1 135 . 1 1 18 18 ASP CB C 13 39.9010 0.30 . 1 . . . . 18 ASP CB . 16083 1 136 . 1 1 18 18 ASP N N 15 122.9340 0.50 . 1 . . . . 18 ASP N . 16083 1 137 . 1 1 19 19 ALA H H 1 7.2640 0.05 . 1 . . . . 19 ALA HN . 16083 1 138 . 1 1 19 19 ALA HA H 1 4.2940 0.05 . 1 . . . . 19 ALA HA . 16083 1 139 . 1 1 19 19 ALA HB1 H 1 1.3870 0.05 . 1 . . . . 19 ALA HB1 . 16083 1 140 . 1 1 19 19 ALA HB2 H 1 1.3870 0.05 . 1 . . . . 19 ALA HB1 . 16083 1 141 . 1 1 19 19 ALA HB3 H 1 1.3870 0.05 . 1 . . . . 19 ALA HB1 . 16083 1 142 . 1 1 19 19 ALA C C 13 177.3360 0.30 . 1 . . . . 19 ALA C . 16083 1 143 . 1 1 19 19 ALA CA C 13 52.1710 0.30 . 1 . . . . 19 ALA CA . 16083 1 144 . 1 1 19 19 ALA CB C 13 18.8700 0.30 . 1 . . . . 19 ALA CB . 16083 1 145 . 1 1 19 19 ALA N N 15 119.8270 0.50 . 1 . . . . 19 ALA N . 16083 1 146 . 1 1 20 20 GLY H H 1 7.6670 0.05 . 1 . . . . 20 GLY HN . 16083 1 147 . 1 1 20 20 GLY HA2 H 1 3.8440 0.05 . 2 . . . . 20 GLY HA1 . 16083 1 148 . 1 1 20 20 GLY HA3 H 1 2.6530 0.05 . 2 . . . . 20 GLY HA2 . 16083 1 149 . 1 1 20 20 GLY C C 13 173.4980 0.30 . 1 . . . . 20 GLY C . 16083 1 150 . 1 1 20 20 GLY CA C 13 44.0030 0.30 . 1 . . . . 20 GLY CA . 16083 1 151 . 1 1 20 20 GLY N N 15 106.5740 0.50 . 1 . . . . 20 GLY N . 16083 1 152 . 1 1 21 21 ASN H H 1 7.9980 0.05 . 1 . . . . 21 ASN HN . 16083 1 153 . 1 1 21 21 ASN HA H 1 4.8840 0.05 . 1 . . . . 21 ASN HA . 16083 1 154 . 1 1 21 21 ASN HB2 H 1 3.0070 0.05 . 2 . . . . 21 ASN HB1 . 16083 1 155 . 1 1 21 21 ASN HB3 H 1 2.7630 0.05 . 2 . . . . 21 ASN HB2 . 16083 1 156 . 1 1 21 21 ASN C C 13 175.6540 0.30 . 1 . . . . 21 ASN C . 16083 1 157 . 1 1 21 21 ASN CA C 13 50.3970 0.30 . 1 . . . . 21 ASN CA . 16083 1 158 . 1 1 21 21 ASN CB C 13 35.8660 0.30 . 1 . . . . 21 ASN CB . 16083 1 159 . 1 1 21 21 ASN N N 15 121.8520 0.50 . 1 . . . . 21 ASN N . 16083 1 160 . 1 1 22 22 TYR H H 1 7.0240 0.05 . 1 . . . . 22 TYR HN . 16083 1 161 . 1 1 22 22 TYR HA H 1 4.2030 0.05 . 1 . . . . 22 TYR HA . 16083 1 162 . 1 1 22 22 TYR HB2 H 1 3.1890 0.05 . 2 . . . . 22 TYR HB1 . 16083 1 163 . 1 1 22 22 TYR HB3 H 1 2.7490 0.05 . 2 . . . . 22 TYR HB2 . 16083 1 164 . 1 1 22 22 TYR HD1 H 1 7.1090 0.05 . 3 . . . . 22 TYR HD1 . 16083 1 165 . 1 1 22 22 TYR HD2 H 1 7.1090 0.05 . 3 . . . . 22 TYR HD2 . 16083 1 166 . 1 1 22 22 TYR C C 13 179.6390 0.30 . 1 . . . . 22 TYR C . 16083 1 167 . 1 1 22 22 TYR CA C 13 61.7320 0.30 . 1 . . . . 22 TYR CA . 16083 1 168 . 1 1 22 22 TYR CB C 13 37.8400 0.30 . 1 . . . . 22 TYR CB . 16083 1 169 . 1 1 22 22 TYR N N 15 119.5540 0.50 . 1 . . . . 22 TYR N . 16083 1 170 . 1 1 23 23 THR H H 1 9.0250 0.05 . 1 . . . . 23 THR HN . 16083 1 171 . 1 1 23 23 THR HA H 1 3.7420 0.05 . 1 . . . . 23 THR HA . 16083 1 172 . 1 1 23 23 THR HB H 1 4.0740 0.05 . 1 . . . . 23 THR HB . 16083 1 173 . 1 1 23 23 THR HG21 H 1 1.2000 0.05 . 1 . . . . 23 THR HG21 . 16083 1 174 . 1 1 23 23 THR HG22 H 1 1.2000 0.05 . 1 . . . . 23 THR HG21 . 16083 1 175 . 1 1 23 23 THR HG23 H 1 1.2000 0.05 . 1 . . . . 23 THR HG21 . 16083 1 176 . 1 1 23 23 THR C C 13 176.3840 0.30 . 1 . . . . 23 THR C . 16083 1 177 . 1 1 23 23 THR CA C 13 67.5280 0.30 . 1 . . . . 23 THR CA . 16083 1 178 . 1 1 23 23 THR CB C 13 67.9620 0.30 . 1 . . . . 23 THR CB . 16083 1 179 . 1 1 23 23 THR CG2 C 13 22.0990 0.30 . 1 . . . . 23 THR CG2 . 16083 1 180 . 1 1 23 23 THR N N 15 117.3770 0.50 . 1 . . . . 23 THR N . 16083 1 181 . 1 1 24 24 GLU H H 1 8.7620 0.05 . 1 . . . . 24 GLU HN . 16083 1 182 . 1 1 24 24 GLU HA H 1 3.9590 0.05 . 1 . . . . 24 GLU HA . 16083 1 183 . 1 1 24 24 GLU C C 13 179.8430 0.30 . 1 . . . . 24 GLU C . 16083 1 184 . 1 1 24 24 GLU CA C 13 60.2430 0.30 . 1 . . . . 24 GLU CA . 16083 1 185 . 1 1 24 24 GLU CB C 13 28.5100 0.30 . 1 . . . . 24 GLU CB . 16083 1 186 . 1 1 24 24 GLU N N 15 123.2120 0.50 . 1 . . . . 24 GLU N . 16083 1 187 . 1 1 25 25 SER H H 1 8.1520 0.05 . 1 . . . . 25 SER HN . 16083 1 188 . 1 1 25 25 SER HA H 1 4.0570 0.05 . 1 . . . . 25 SER HA . 16083 1 189 . 1 1 25 25 SER HB2 H 1 3.6500 0.05 . 2 . . . . 25 SER HB1 . 16083 1 190 . 1 1 25 25 SER C C 13 174.0170 0.30 . 1 . . . . 25 SER C . 16083 1 191 . 1 1 25 25 SER CA C 13 62.3190 0.30 . 1 . . . . 25 SER CA . 16083 1 192 . 1 1 25 25 SER CB C 13 62.3450 0.30 . 1 . . . . 25 SER CB . 16083 1 193 . 1 1 25 25 SER N N 15 115.9140 0.50 . 1 . . . . 25 SER N . 16083 1 194 . 1 1 26 26 ILE H H 1 7.5930 0.05 . 1 . . . . 26 ILE HN . 16083 1 195 . 1 1 26 26 ILE HA H 1 3.5600 0.05 . 1 . . . . 26 ILE HA . 16083 1 196 . 1 1 26 26 ILE HB H 1 1.8560 0.05 . 1 . . . . 26 ILE HB . 16083 1 197 . 1 1 26 26 ILE HD11 H 1 0.7810 0.05 . 1 . . . . 26 ILE HD11 . 16083 1 198 . 1 1 26 26 ILE HD12 H 1 0.7810 0.05 . 1 . . . . 26 ILE HD11 . 16083 1 199 . 1 1 26 26 ILE HD13 H 1 0.7810 0.05 . 1 . . . . 26 ILE HD11 . 16083 1 200 . 1 1 26 26 ILE HG12 H 1 0.9900 0.05 . 2 . . . . 26 ILE HG11 . 16083 1 201 . 1 1 26 26 ILE HG21 H 1 0.8950 0.05 . 1 . . . . 26 ILE HG21 . 16083 1 202 . 1 1 26 26 ILE HG22 H 1 0.8950 0.05 . 1 . . . . 26 ILE HG21 . 16083 1 203 . 1 1 26 26 ILE HG23 H 1 0.8950 0.05 . 1 . . . . 26 ILE HG21 . 16083 1 204 . 1 1 26 26 ILE C C 13 176.7880 0.30 . 1 . . . . 26 ILE C . 16083 1 205 . 1 1 26 26 ILE CA C 13 66.7130 0.30 . 1 . . . . 26 ILE CA . 16083 1 206 . 1 1 26 26 ILE CB C 13 36.5190 0.30 . 1 . . . . 26 ILE CB . 16083 1 207 . 1 1 26 26 ILE CD1 C 13 14.8520 0.30 . 1 . . . . 26 ILE CD1 . 16083 1 208 . 1 1 26 26 ILE CG1 C 13 31.6450 0.30 . 1 . . . . 26 ILE CG1 . 16083 1 209 . 1 1 26 26 ILE CG2 C 13 17.4090 0.30 . 1 . . . . 26 ILE CG2 . 16083 1 210 . 1 1 26 26 ILE N N 15 122.6760 0.50 . 1 . . . . 26 ILE N . 16083 1 211 . 1 1 27 27 ASP H H 1 6.9440 0.05 . 1 . . . . 27 ASP HN . 16083 1 212 . 1 1 27 27 ASP HA H 1 4.2390 0.05 . 1 . . . . 27 ASP HA . 16083 1 213 . 1 1 27 27 ASP HB2 H 1 2.5800 0.05 . 2 . . . . 27 ASP HB1 . 16083 1 214 . 1 1 27 27 ASP C C 13 178.5380 0.30 . 1 . . . . 27 ASP C . 16083 1 215 . 1 1 27 27 ASP CA C 13 57.4490 0.30 . 1 . . . . 27 ASP CA . 16083 1 216 . 1 1 27 27 ASP CB C 13 40.7580 0.30 . 1 . . . . 27 ASP CB . 16083 1 217 . 1 1 27 27 ASP N N 15 118.0620 0.50 . 1 . . . . 27 ASP N . 16083 1 218 . 1 1 28 28 LEU H H 1 6.9710 0.05 . 1 . . . . 28 LEU HN . 16083 1 219 . 1 1 28 28 LEU HA H 1 3.7760 0.05 . 1 . . . . 28 LEU HA . 16083 1 220 . 1 1 28 28 LEU HB2 H 1 1.4730 0.05 . 2 . . . . 28 LEU HB1 . 16083 1 221 . 1 1 28 28 LEU HB3 H 1 1.3560 0.05 . 2 . . . . 28 LEU HB2 . 16083 1 222 . 1 1 28 28 LEU HD11 H 1 0.9580 0.05 . 2 . . . . 28 LEU HD11 . 16083 1 223 . 1 1 28 28 LEU HD12 H 1 0.9580 0.05 . 2 . . . . 28 LEU HD11 . 16083 1 224 . 1 1 28 28 LEU HD13 H 1 0.9580 0.05 . 2 . . . . 28 LEU HD11 . 16083 1 225 . 1 1 28 28 LEU HD21 H 1 0.6450 0.05 . 2 . . . . 28 LEU HD21 . 16083 1 226 . 1 1 28 28 LEU HD22 H 1 0.6450 0.05 . 2 . . . . 28 LEU HD21 . 16083 1 227 . 1 1 28 28 LEU HD23 H 1 0.6450 0.05 . 2 . . . . 28 LEU HD21 . 16083 1 228 . 1 1 28 28 LEU HG H 1 1.5710 0.05 . 1 . . . . 28 LEU HG . 16083 1 229 . 1 1 28 28 LEU C C 13 178.7160 0.30 . 1 . . . . 28 LEU C . 16083 1 230 . 1 1 28 28 LEU CA C 13 58.1350 0.30 . 1 . . . . 28 LEU CA . 16083 1 231 . 1 1 28 28 LEU CB C 13 40.4910 0.30 . 1 . . . . 28 LEU CB . 16083 1 232 . 1 1 28 28 LEU CD1 C 13 23.1400 0.30 . 2 . . . . 28 LEU CD1 . 16083 1 233 . 1 1 28 28 LEU CD2 C 13 25.3550 0.30 . 2 . . . . 28 LEU CD2 . 16083 1 234 . 1 1 28 28 LEU CG C 13 27.5690 0.30 . 1 . . . . 28 LEU CG . 16083 1 235 . 1 1 28 28 LEU N N 15 120.2900 0.50 . 1 . . . . 28 LEU N . 16083 1 236 . 1 1 29 29 PHE H H 1 8.5200 0.05 . 1 . . . . 29 PHE HN . 16083 1 237 . 1 1 29 29 PHE HA H 1 4.3240 0.05 . 1 . . . . 29 PHE HA . 16083 1 238 . 1 1 29 29 PHE HB2 H 1 3.3210 0.05 . 2 . . . . 29 PHE HB1 . 16083 1 239 . 1 1 29 29 PHE HB3 H 1 2.7160 0.05 . 2 . . . . 29 PHE HB2 . 16083 1 240 . 1 1 29 29 PHE C C 13 178.2840 0.30 . 1 . . . . 29 PHE C . 16083 1 241 . 1 1 29 29 PHE CA C 13 59.5480 0.30 . 1 . . . . 29 PHE CA . 16083 1 242 . 1 1 29 29 PHE CB C 13 37.5760 0.30 . 1 . . . . 29 PHE CB . 16083 1 243 . 1 1 29 29 PHE N N 15 118.4340 0.50 . 1 . . . . 29 PHE N . 16083 1 244 . 1 1 30 30 GLU H H 1 8.7790 0.05 . 1 . . . . 30 GLU HN . 16083 1 245 . 1 1 30 30 GLU HA H 1 3.7950 0.05 . 1 . . . . 30 GLU HA . 16083 1 246 . 1 1 30 30 GLU C C 13 178.9660 0.30 . 1 . . . . 30 GLU C . 16083 1 247 . 1 1 30 30 GLU CA C 13 59.4520 0.30 . 1 . . . . 30 GLU CA . 16083 1 248 . 1 1 30 30 GLU CB C 13 29.0490 0.30 . 1 . . . . 30 GLU CB . 16083 1 249 . 1 1 30 30 GLU N N 15 117.5480 0.50 . 1 . . . . 30 GLU N . 16083 1 250 . 1 1 31 31 LYS H H 1 7.3180 0.05 . 1 . . . . 31 LYS HN . 16083 1 251 . 1 1 31 31 LYS HA H 1 3.6680 0.05 . 1 . . . . 31 LYS HA . 16083 1 252 . 1 1 31 31 LYS HB2 H 1 1.2570 0.05 . 2 . . . . 31 LYS HB1 . 16083 1 253 . 1 1 31 31 LYS HB3 H 1 0.7130 0.05 . 2 . . . . 31 LYS HB2 . 16083 1 254 . 1 1 31 31 LYS HD2 H 1 1.0900 0.05 . 2 . . . . 31 LYS HD1 . 16083 1 255 . 1 1 31 31 LYS HD3 H 1 1.1310 0.05 . 2 . . . . 31 LYS HD2 . 16083 1 256 . 1 1 31 31 LYS HE2 H 1 2.6430 0.05 . 2 . . . . 31 LYS HE1 . 16083 1 257 . 1 1 31 31 LYS HE3 H 1 2.6480 0.05 . 2 . . . . 31 LYS HE2 . 16083 1 258 . 1 1 31 31 LYS HG2 H 1 0.9990 0.05 . 2 . . . . 31 LYS HG1 . 16083 1 259 . 1 1 31 31 LYS C C 13 178.6650 0.30 . 1 . . . . 31 LYS C . 16083 1 260 . 1 1 31 31 LYS CA C 13 59.4010 0.30 . 1 . . . . 31 LYS CA . 16083 1 261 . 1 1 31 31 LYS CB C 13 31.1130 0.30 . 1 . . . . 31 LYS CB . 16083 1 262 . 1 1 31 31 LYS CD C 13 29.0790 0.30 . 1 . . . . 31 LYS CD . 16083 1 263 . 1 1 31 31 LYS CE C 13 42.0210 0.30 . 1 . . . . 31 LYS CE . 16083 1 264 . 1 1 31 31 LYS N N 15 120.4100 0.50 . 1 . . . . 31 LYS N . 16083 1 265 . 1 1 32 32 ALA H H 1 7.3110 0.05 . 1 . . . . 32 ALA HN . 16083 1 266 . 1 1 32 32 ALA HA H 1 3.8590 0.05 . 1 . . . . 32 ALA HA . 16083 1 267 . 1 1 32 32 ALA HB1 H 1 0.8100 0.05 . 1 . . . . 32 ALA HB1 . 16083 1 268 . 1 1 32 32 ALA HB2 H 1 0.8100 0.05 . 1 . . . . 32 ALA HB1 . 16083 1 269 . 1 1 32 32 ALA HB3 H 1 0.8100 0.05 . 1 . . . . 32 ALA HB1 . 16083 1 270 . 1 1 32 32 ALA C C 13 178.3840 0.30 . 1 . . . . 32 ALA C . 16083 1 271 . 1 1 32 32 ALA CA C 13 54.6970 0.30 . 1 . . . . 32 ALA CA . 16083 1 272 . 1 1 32 32 ALA CB C 13 15.9990 0.30 . 1 . . . . 32 ALA CB . 16083 1 273 . 1 1 32 32 ALA N N 15 121.2770 0.50 . 1 . . . . 32 ALA N . 16083 1 274 . 1 1 33 33 ILE H H 1 8.1140 0.05 . 1 . . . . 33 ILE HN . 16083 1 275 . 1 1 33 33 ILE HA H 1 3.4690 0.05 . 1 . . . . 33 ILE HA . 16083 1 276 . 1 1 33 33 ILE HB H 1 1.3970 0.05 . 1 . . . . 33 ILE HB . 16083 1 277 . 1 1 33 33 ILE HD11 H 1 -0.6000 0.05 . 1 . . . . 33 ILE HD11 . 16083 1 278 . 1 1 33 33 ILE HD12 H 1 -0.6000 0.05 . 1 . . . . 33 ILE HD11 . 16083 1 279 . 1 1 33 33 ILE HD13 H 1 -0.6000 0.05 . 1 . . . . 33 ILE HD11 . 16083 1 280 . 1 1 33 33 ILE HG12 H 1 1.4890 0.05 . 2 . . . . 33 ILE HG11 . 16083 1 281 . 1 1 33 33 ILE HG13 H 1 0.1090 0.05 . 2 . . . . 33 ILE HG12 . 16083 1 282 . 1 1 33 33 ILE HG21 H 1 0.4230 0.05 . 1 . . . . 33 ILE HG21 . 16083 1 283 . 1 1 33 33 ILE HG22 H 1 0.4230 0.05 . 1 . . . . 33 ILE HG21 . 16083 1 284 . 1 1 33 33 ILE HG23 H 1 0.4230 0.05 . 1 . . . . 33 ILE HG21 . 16083 1 285 . 1 1 33 33 ILE C C 13 176.9700 0.30 . 1 . . . . 33 ILE C . 16083 1 286 . 1 1 33 33 ILE CA C 13 64.8570 0.30 . 1 . . . . 33 ILE CA . 16083 1 287 . 1 1 33 33 ILE CB C 13 38.6690 0.30 . 1 . . . . 33 ILE CB . 16083 1 288 . 1 1 33 33 ILE CD1 C 13 12.5010 0.30 . 1 . . . . 33 ILE CD1 . 16083 1 289 . 1 1 33 33 ILE CG1 C 13 31.6630 0.30 . 1 . . . . 33 ILE CG1 . 16083 1 290 . 1 1 33 33 ILE CG2 C 13 17.7310 0.30 . 1 . . . . 33 ILE CG2 . 16083 1 291 . 1 1 33 33 ILE N N 15 118.9050 0.50 . 1 . . . . 33 ILE N . 16083 1 292 . 1 1 34 34 GLN H H 1 7.7900 0.05 . 1 . . . . 34 GLN HN . 16083 1 293 . 1 1 34 34 GLN HA H 1 3.8530 0.05 . 1 . . . . 34 GLN HA . 16083 1 294 . 1 1 34 34 GLN HB2 H 1 2.4500 0.05 . 2 . . . . 34 GLN HB1 . 16083 1 295 . 1 1 34 34 GLN HB3 H 1 2.3730 0.05 . 2 . . . . 34 GLN HB2 . 16083 1 296 . 1 1 34 34 GLN C C 13 178.3200 0.30 . 1 . . . . 34 GLN C . 16083 1 297 . 1 1 34 34 GLN CA C 13 57.6960 0.30 . 1 . . . . 34 GLN CA . 16083 1 298 . 1 1 34 34 GLN CB C 13 28.4570 0.30 . 1 . . . . 34 GLN CB . 16083 1 299 . 1 1 34 34 GLN N N 15 115.4050 0.50 . 1 . . . . 34 GLN N . 16083 1 300 . 1 1 35 35 LEU H H 1 7.0920 0.05 . 1 . . . . 35 LEU HN . 16083 1 301 . 1 1 35 35 LEU HA H 1 4.3540 0.05 . 1 . . . . 35 LEU HA . 16083 1 302 . 1 1 35 35 LEU HB2 H 1 2.0180 0.05 . 2 . . . . 35 LEU HB1 . 16083 1 303 . 1 1 35 35 LEU HB3 H 1 1.5790 0.05 . 2 . . . . 35 LEU HB2 . 16083 1 304 . 1 1 35 35 LEU HD11 H 1 0.9460 0.05 . 2 . . . . 35 LEU HD11 . 16083 1 305 . 1 1 35 35 LEU HD12 H 1 0.9460 0.05 . 2 . . . . 35 LEU HD11 . 16083 1 306 . 1 1 35 35 LEU HD13 H 1 0.9460 0.05 . 2 . . . . 35 LEU HD11 . 16083 1 307 . 1 1 35 35 LEU HD21 H 1 0.9520 0.05 . 2 . . . . 35 LEU HD21 . 16083 1 308 . 1 1 35 35 LEU HD22 H 1 0.9520 0.05 . 2 . . . . 35 LEU HD21 . 16083 1 309 . 1 1 35 35 LEU HD23 H 1 0.9520 0.05 . 2 . . . . 35 LEU HD21 . 16083 1 310 . 1 1 35 35 LEU HG H 1 1.8550 0.05 . 1 . . . . 35 LEU HG . 16083 1 311 . 1 1 35 35 LEU C C 13 177.8410 0.30 . 1 . . . . 35 LEU C . 16083 1 312 . 1 1 35 35 LEU CA C 13 56.2730 0.30 . 1 . . . . 35 LEU CA . 16083 1 313 . 1 1 35 35 LEU CB C 13 43.4900 0.30 . 1 . . . . 35 LEU CB . 16083 1 314 . 1 1 35 35 LEU CD1 C 13 26.4310 0.30 . 2 . . . . 35 LEU CD1 . 16083 1 315 . 1 1 35 35 LEU CD2 C 13 22.4320 0.30 . 2 . . . . 35 LEU CD2 . 16083 1 316 . 1 1 35 35 LEU CG C 13 26.7790 0.30 . 1 . . . . 35 LEU CG . 16083 1 317 . 1 1 35 35 LEU N N 15 116.6780 0.50 . 1 . . . . 35 LEU N . 16083 1 318 . 1 1 36 36 ASP H H 1 8.3670 0.05 . 1 . . . . 36 ASP HN . 16083 1 319 . 1 1 36 36 ASP CA C 13 52.1380 0.30 . 1 . . . . 36 ASP CA . 16083 1 320 . 1 1 36 36 ASP CB C 13 41.5490 0.30 . 1 . . . . 36 ASP CB . 16083 1 321 . 1 1 36 36 ASP N N 15 117.6820 0.50 . 1 . . . . 36 ASP N . 16083 1 322 . 1 1 37 37 PRO HA H 1 4.9400 0.05 . 1 . . . . 37 PRO HA . 16083 1 323 . 1 1 37 37 PRO HB2 H 1 2.5730 0.05 . 2 . . . . 37 PRO HB1 . 16083 1 324 . 1 1 37 37 PRO HB3 H 1 2.4270 0.05 . 2 . . . . 37 PRO HB2 . 16083 1 325 . 1 1 37 37 PRO HD2 H 1 4.0350 0.05 . 2 . . . . 37 PRO HD1 . 16083 1 326 . 1 1 37 37 PRO HD3 H 1 3.6550 0.05 . 2 . . . . 37 PRO HD2 . 16083 1 327 . 1 1 37 37 PRO HG2 H 1 2.2320 0.05 . 2 . . . . 37 PRO HG1 . 16083 1 328 . 1 1 37 37 PRO HG3 H 1 2.0850 0.05 . 2 . . . . 37 PRO HG2 . 16083 1 329 . 1 1 37 37 PRO C C 13 178.0880 0.30 . 1 . . . . 37 PRO C . 16083 1 330 . 1 1 37 37 PRO CA C 13 64.2720 0.30 . 1 . . . . 37 PRO CA . 16083 1 331 . 1 1 37 37 PRO CB C 13 32.1550 0.30 . 1 . . . . 37 PRO CB . 16083 1 332 . 1 1 37 37 PRO CD C 13 50.0280 0.30 . 1 . . . . 37 PRO CD . 16083 1 333 . 1 1 37 37 PRO CG C 13 26.7650 0.30 . 1 . . . . 37 PRO CG . 16083 1 334 . 1 1 38 38 GLU H H 1 7.8530 0.05 . 1 . . . . 38 GLU HN . 16083 1 335 . 1 1 38 38 GLU HA H 1 4.4360 0.05 . 1 . . . . 38 GLU HA . 16083 1 336 . 1 1 38 38 GLU HB2 H 1 2.3720 0.05 . 2 . . . . 38 GLU HB2 . 16083 1 337 . 1 1 38 38 GLU C C 13 174.8740 0.30 . 1 . . . . 38 GLU C . 16083 1 338 . 1 1 38 38 GLU CA C 13 56.2000 0.30 . 1 . . . . 38 GLU CA . 16083 1 339 . 1 1 38 38 GLU CB C 13 29.5890 0.30 . 1 . . . . 38 GLU CB . 16083 1 340 . 1 1 38 38 GLU N N 15 116.9330 0.50 . 1 . . . . 38 GLU N . 16083 1 341 . 1 1 39 39 GLU H H 1 6.9920 0.05 . 1 . . . . 39 GLU HN . 16083 1 342 . 1 1 39 39 GLU HA H 1 4.3130 0.05 . 1 . . . . 39 GLU HA . 16083 1 343 . 1 1 39 39 GLU C C 13 176.0820 0.30 . 1 . . . . 39 GLU C . 16083 1 344 . 1 1 39 39 GLU CA C 13 54.5910 0.30 . 1 . . . . 39 GLU CA . 16083 1 345 . 1 1 39 39 GLU CB C 13 29.1770 0.30 . 1 . . . . 39 GLU CB . 16083 1 346 . 1 1 39 39 GLU N N 15 119.9000 0.50 . 1 . . . . 39 GLU N . 16083 1 347 . 1 1 40 40 SER H H 1 8.4580 0.05 . 1 . . . . 40 SER HN . 16083 1 348 . 1 1 40 40 SER HA H 1 4.1030 0.05 . 1 . . . . 40 SER HA . 16083 1 349 . 1 1 40 40 SER HB2 H 1 3.8000 0.05 . 2 . . . . 40 SER HB1 . 16083 1 350 . 1 1 40 40 SER C C 13 176.3230 0.30 . 1 . . . . 40 SER C . 16083 1 351 . 1 1 40 40 SER CA C 13 61.9290 0.30 . 1 . . . . 40 SER CA . 16083 1 352 . 1 1 40 40 SER CB C 13 63.2320 0.30 . 1 . . . . 40 SER CB . 16083 1 353 . 1 1 40 40 SER N N 15 125.6190 0.50 . 1 . . . . 40 SER N . 16083 1 354 . 1 1 41 41 LYS H H 1 9.2480 0.05 . 1 . . . . 41 LYS HN . 16083 1 355 . 1 1 41 41 LYS HA H 1 4.0680 0.05 . 1 . . . . 41 LYS HA . 16083 1 356 . 1 1 41 41 LYS HB2 H 1 1.9100 0.05 . 2 . . . . 41 LYS HB1 . 16083 1 357 . 1 1 41 41 LYS HB3 H 1 1.5510 0.05 . 2 . . . . 41 LYS HB2 . 16083 1 358 . 1 1 41 41 LYS C C 13 177.5200 0.30 . 1 . . . . 41 LYS C . 16083 1 359 . 1 1 41 41 LYS CA C 13 59.2590 0.30 . 1 . . . . 41 LYS CA . 16083 1 360 . 1 1 41 41 LYS CB C 13 31.1610 0.30 . 1 . . . . 41 LYS CB . 16083 1 361 . 1 1 41 41 LYS N N 15 119.1200 0.50 . 1 . . . . 41 LYS N . 16083 1 362 . 1 1 42 42 TYR H H 1 6.9240 0.05 . 1 . . . . 42 TYR HN . 16083 1 363 . 1 1 42 42 TYR HA H 1 4.3010 0.05 . 1 . . . . 42 TYR HA . 16083 1 364 . 1 1 42 42 TYR HB2 H 1 3.0900 0.05 . 2 . . . . 42 TYR HB1 . 16083 1 365 . 1 1 42 42 TYR HB3 H 1 2.9400 0.05 . 2 . . . . 42 TYR HB2 . 16083 1 366 . 1 1 42 42 TYR HD1 H 1 6.8410 0.05 . 3 . . . . 42 TYR HD1 . 16083 1 367 . 1 1 42 42 TYR HD2 H 1 6.8410 0.05 . 3 . . . . 42 TYR HD2 . 16083 1 368 . 1 1 42 42 TYR C C 13 177.2690 0.30 . 1 . . . . 42 TYR C . 16083 1 369 . 1 1 42 42 TYR CA C 13 57.6030 0.30 . 1 . . . . 42 TYR CA . 16083 1 370 . 1 1 42 42 TYR CB C 13 37.0630 0.30 . 1 . . . . 42 TYR CB . 16083 1 371 . 1 1 42 42 TYR N N 15 118.6660 0.50 . 1 . . . . 42 TYR N . 16083 1 372 . 1 1 43 43 TRP H H 1 6.6620 0.05 . 1 . . . . 43 TRP HN . 16083 1 373 . 1 1 43 43 TRP HA H 1 3.9100 0.05 . 1 . . . . 43 TRP HA . 16083 1 374 . 1 1 43 43 TRP HB2 H 1 3.2610 0.05 . 2 . . . . 43 TRP HB1 . 16083 1 375 . 1 1 43 43 TRP HB3 H 1 3.1030 0.05 . 2 . . . . 43 TRP HB2 . 16083 1 376 . 1 1 43 43 TRP HD1 H 1 7.2370 0.05 . 1 . . . . 43 TRP HD1 . 16083 1 377 . 1 1 43 43 TRP HE1 H 1 10.2680 0.05 . 1 . . . . 43 TRP HE1 . 16083 1 378 . 1 1 43 43 TRP C C 13 178.8230 0.30 . 1 . . . . 43 TRP C . 16083 1 379 . 1 1 43 43 TRP CA C 13 59.9530 0.30 . 1 . . . . 43 TRP CA . 16083 1 380 . 1 1 43 43 TRP CB C 13 30.7590 0.30 . 1 . . . . 43 TRP CB . 16083 1 381 . 1 1 43 43 TRP N N 15 118.9900 0.50 . 1 . . . . 43 TRP N . 16083 1 382 . 1 1 43 43 TRP NE1 N 15 131.282 0.50 . 1 . . . . 43 TRP NE1 . 16083 1 383 . 1 1 44 44 LEU H H 1 8.4120 0.05 . 1 . . . . 44 LEU HN . 16083 1 384 . 1 1 44 44 LEU HA H 1 4.1120 0.05 . 1 . . . . 44 LEU HA . 16083 1 385 . 1 1 44 44 LEU HB2 H 1 1.9250 0.05 . 2 . . . . 44 LEU HB1 . 16083 1 386 . 1 1 44 44 LEU HB3 H 1 1.4070 0.05 . 2 . . . . 44 LEU HB2 . 16083 1 387 . 1 1 44 44 LEU HD11 H 1 0.8490 0.05 . 2 . . . . 44 LEU HD11 . 16083 1 388 . 1 1 44 44 LEU HD12 H 1 0.8490 0.05 . 2 . . . . 44 LEU HD11 . 16083 1 389 . 1 1 44 44 LEU HD13 H 1 0.8490 0.05 . 2 . . . . 44 LEU HD11 . 16083 1 390 . 1 1 44 44 LEU HD21 H 1 0.7160 0.05 . 2 . . . . 44 LEU HD21 . 16083 1 391 . 1 1 44 44 LEU HD22 H 1 0.7160 0.05 . 2 . . . . 44 LEU HD21 . 16083 1 392 . 1 1 44 44 LEU HD23 H 1 0.7160 0.05 . 2 . . . . 44 LEU HD21 . 16083 1 393 . 1 1 44 44 LEU HG H 1 1.4150 0.05 . 1 . . . . 44 LEU HG . 16083 1 394 . 1 1 44 44 LEU C C 13 177.7580 0.30 . 1 . . . . 44 LEU C . 16083 1 395 . 1 1 44 44 LEU CA C 13 58.6130 0.30 . 1 . . . . 44 LEU CA . 16083 1 396 . 1 1 44 44 LEU CB C 13 42.0040 0.30 . 1 . . . . 44 LEU CB . 16083 1 397 . 1 1 44 44 LEU CD1 C 13 26.2440 0.30 . 2 . . . . 44 LEU CD1 . 16083 1 398 . 1 1 44 44 LEU CD2 C 13 23.3320 0.30 . 2 . . . . 44 LEU CD2 . 16083 1 399 . 1 1 44 44 LEU CG C 13 27.3840 0.30 . 1 . . . . 44 LEU CG . 16083 1 400 . 1 1 44 44 LEU N N 15 118.9700 0.50 . 1 . . . . 44 LEU N . 16083 1 401 . 1 1 45 45 MET H H 1 7.4030 0.05 . 1 . . . . 45 MET HN . 16083 1 402 . 1 1 45 45 MET HA H 1 4.2700 0.05 . 1 . . . . 45 MET HA . 16083 1 403 . 1 1 45 45 MET C C 13 177.7490 0.30 . 1 . . . . 45 MET C . 16083 1 404 . 1 1 45 45 MET CA C 13 55.1590 0.30 . 1 . . . . 45 MET CA . 16083 1 405 . 1 1 45 45 MET CB C 13 26.9250 0.30 . 1 . . . . 45 MET CB . 16083 1 406 . 1 1 45 45 MET N N 15 113.6180 0.50 . 1 . . . . 45 MET N . 16083 1 407 . 1 1 46 46 LYS H H 1 7.6230 0.05 . 1 . . . . 46 LYS HN . 16083 1 408 . 1 1 46 46 LYS HA H 1 3.9060 0.05 . 1 . . . . 46 LYS HA . 16083 1 409 . 1 1 46 46 LYS C C 13 178.0560 0.30 . 1 . . . . 46 LYS C . 16083 1 410 . 1 1 46 46 LYS CA C 13 61.3940 0.30 . 1 . . . . 46 LYS CA . 16083 1 411 . 1 1 46 46 LYS CB C 13 32.4420 0.30 . 1 . . . . 46 LYS CB . 16083 1 412 . 1 1 46 46 LYS N N 15 119.8400 0.50 . 1 . . . . 46 LYS N . 16083 1 413 . 1 1 47 47 GLY H H 1 8.4950 0.05 . 1 . . . . 47 GLY HN . 16083 1 414 . 1 1 47 47 GLY HA2 H 1 3.7300 0.05 . 2 . . . . 47 GLY HA1 . 16083 1 415 . 1 1 47 47 GLY HA3 H 1 3.6120 0.05 . 2 . . . . 47 GLY HA2 . 16083 1 416 . 1 1 47 47 GLY C C 13 175.3400 0.30 . 1 . . . . 47 GLY C . 16083 1 417 . 1 1 47 47 GLY CA C 13 47.6890 0.30 . 1 . . . . 47 GLY CA . 16083 1 418 . 1 1 47 47 GLY N N 15 105.7410 0.50 . 1 . . . . 47 GLY N . 16083 1 419 . 1 1 48 48 LYS H H 1 8.7600 0.05 . 1 . . . . 48 LYS HN . 16083 1 420 . 1 1 48 48 LYS HA H 1 3.9690 0.05 . 1 . . . . 48 LYS HA . 16083 1 421 . 1 1 48 48 LYS HB2 H 1 2.2700 0.05 . 2 . . . . 48 LYS HB1 . 16083 1 422 . 1 1 48 48 LYS HB3 H 1 1.8420 0.05 . 2 . . . . 48 LYS HB2 . 16083 1 423 . 1 1 48 48 LYS HD2 H 1 1.5810 0.05 . 2 . . . . 48 LYS HD1 . 16083 1 424 . 1 1 48 48 LYS HE2 H 1 2.8210 0.05 . 2 . . . . 48 LYS HE1 . 16083 1 425 . 1 1 48 48 LYS HE3 H 1 2.8350 0.05 . 2 . . . . 48 LYS HE2 . 16083 1 426 . 1 1 48 48 LYS HG2 H 1 1.7850 0.05 . 2 . . . . 48 LYS HG1 . 16083 1 427 . 1 1 48 48 LYS HG3 H 1 1.4160 0.05 . 2 . . . . 48 LYS HG2 . 16083 1 428 . 1 1 48 48 LYS C C 13 180.4250 0.30 . 1 . . . . 48 LYS C . 16083 1 429 . 1 1 48 48 LYS CA C 13 60.5060 0.30 . 1 . . . . 48 LYS CA . 16083 1 430 . 1 1 48 48 LYS CB C 13 30.9640 0.30 . 1 . . . . 48 LYS CB . 16083 1 431 . 1 1 48 48 LYS CE C 13 41.4760 0.30 . 1 . . . . 48 LYS CE . 16083 1 432 . 1 1 48 48 LYS CG C 13 25.9210 0.30 . 1 . . . . 48 LYS CG . 16083 1 433 . 1 1 48 48 LYS N N 15 122.5680 0.50 . 1 . . . . 48 LYS N . 16083 1 434 . 1 1 49 49 ALA H H 1 8.6680 0.05 . 1 . . . . 49 ALA HN . 16083 1 435 . 1 1 49 49 ALA HA H 1 4.0840 0.05 . 1 . . . . 49 ALA HA . 16083 1 436 . 1 1 49 49 ALA HB1 H 1 1.4320 0.05 . 1 . . . . 49 ALA HB1 . 16083 1 437 . 1 1 49 49 ALA HB2 H 1 1.4320 0.05 . 1 . . . . 49 ALA HB1 . 16083 1 438 . 1 1 49 49 ALA HB3 H 1 1.4320 0.05 . 1 . . . . 49 ALA HB1 . 16083 1 439 . 1 1 49 49 ALA C C 13 178.8700 0.30 . 1 . . . . 49 ALA C . 16083 1 440 . 1 1 49 49 ALA CA C 13 55.7770 0.30 . 1 . . . . 49 ALA CA . 16083 1 441 . 1 1 49 49 ALA CB C 13 17.7020 0.30 . 1 . . . . 49 ALA CB . 16083 1 442 . 1 1 49 49 ALA N N 15 124.4840 0.50 . 1 . . . . 49 ALA N . 16083 1 443 . 1 1 50 50 LEU H H 1 8.1920 0.05 . 1 . . . . 50 LEU HN . 16083 1 444 . 1 1 50 50 LEU HA H 1 3.7710 0.05 . 1 . . . . 50 LEU HA . 16083 1 445 . 1 1 50 50 LEU HB2 H 1 2.1030 0.05 . 2 . . . . 50 LEU HB1 . 16083 1 446 . 1 1 50 50 LEU HB3 H 1 1.5980 0.05 . 2 . . . . 50 LEU HB2 . 16083 1 447 . 1 1 50 50 LEU HD11 H 1 0.7380 0.05 . 2 . . . . 50 LEU HD11 . 16083 1 448 . 1 1 50 50 LEU HD12 H 1 0.7380 0.05 . 2 . . . . 50 LEU HD11 . 16083 1 449 . 1 1 50 50 LEU HD13 H 1 0.7380 0.05 . 2 . . . . 50 LEU HD11 . 16083 1 450 . 1 1 50 50 LEU HD21 H 1 0.7350 0.05 . 2 . . . . 50 LEU HD21 . 16083 1 451 . 1 1 50 50 LEU HD22 H 1 0.7350 0.05 . 2 . . . . 50 LEU HD21 . 16083 1 452 . 1 1 50 50 LEU HD23 H 1 0.7350 0.05 . 2 . . . . 50 LEU HD21 . 16083 1 453 . 1 1 50 50 LEU HG H 1 1.7410 0.05 . 1 . . . . 50 LEU HG . 16083 1 454 . 1 1 50 50 LEU C C 13 179.8390 0.30 . 1 . . . . 50 LEU C . 16083 1 455 . 1 1 50 50 LEU CA C 13 58.7270 0.30 . 1 . . . . 50 LEU CA . 16083 1 456 . 1 1 50 50 LEU CB C 13 40.5490 0.30 . 1 . . . . 50 LEU CB . 16083 1 457 . 1 1 50 50 LEU CD1 C 13 27.1930 0.30 . 2 . . . . 50 LEU CD1 . 16083 1 458 . 1 1 50 50 LEU CD2 C 13 23.4650 0.30 . 2 . . . . 50 LEU CD2 . 16083 1 459 . 1 1 50 50 LEU CG C 13 26.8090 0.30 . 1 . . . . 50 LEU CG . 16083 1 460 . 1 1 50 50 LEU N N 15 118.8430 0.50 . 1 . . . . 50 LEU N . 16083 1 461 . 1 1 51 51 TYR H H 1 9.2820 0.05 . 1 . . . . 51 TYR HN . 16083 1 462 . 1 1 51 51 TYR HA H 1 3.5570 0.05 . 1 . . . . 51 TYR HA . 16083 1 463 . 1 1 51 51 TYR HB2 H 1 3.5370 0.05 . 2 . . . . 51 TYR HB1 . 16083 1 464 . 1 1 51 51 TYR HB3 H 1 3.0720 0.05 . 2 . . . . 51 TYR HB2 . 16083 1 465 . 1 1 51 51 TYR HD1 H 1 7.1380 0.05 . 3 . . . . 51 TYR HD1 . 16083 1 466 . 1 1 51 51 TYR HD2 H 1 7.1380 0.05 . 3 . . . . 51 TYR HD2 . 16083 1 467 . 1 1 51 51 TYR HE1 H 1 6.8620 0.05 . 3 . . . . 51 TYR HE1 . 16083 1 468 . 1 1 51 51 TYR HE2 H 1 6.8620 0.05 . 3 . . . . 51 TYR HE2 . 16083 1 469 . 1 1 51 51 TYR C C 13 179.1770 0.30 . 1 . . . . 51 TYR C . 16083 1 470 . 1 1 51 51 TYR CA C 13 61.8780 0.30 . 1 . . . . 51 TYR CA . 16083 1 471 . 1 1 51 51 TYR CB C 13 38.2490 0.30 . 1 . . . . 51 TYR CB . 16083 1 472 . 1 1 51 51 TYR N N 15 122.7190 0.50 . 1 . . . . 51 TYR N . 16083 1 473 . 1 1 52 52 ASN H H 1 7.8820 0.05 . 1 . . . . 52 ASN HN . 16083 1 474 . 1 1 52 52 ASN HA H 1 4.0840 0.05 . 1 . . . . 52 ASN HA . 16083 1 475 . 1 1 52 52 ASN HB2 H 1 1.8180 0.05 . 2 . . . . 52 ASN HB1 . 16083 1 476 . 1 1 52 52 ASN HB3 H 1 1.6890 0.05 . 2 . . . . 52 ASN HB2 . 16083 1 477 . 1 1 52 52 ASN C C 13 175.6150 0.30 . 1 . . . . 52 ASN C . 16083 1 478 . 1 1 52 52 ASN CA C 13 55.9640 0.30 . 1 . . . . 52 ASN CA . 16083 1 479 . 1 1 52 52 ASN CB C 13 37.2190 0.30 . 1 . . . . 52 ASN CB . 16083 1 480 . 1 1 52 52 ASN N N 15 120.3270 0.50 . 1 . . . . 52 ASN N . 16083 1 481 . 1 1 53 53 LEU H H 1 7.1780 0.05 . 1 . . . . 53 LEU HN . 16083 1 482 . 1 1 53 53 LEU HA H 1 4.2990 0.05 . 1 . . . . 53 LEU HA . 16083 1 483 . 1 1 53 53 LEU HB2 H 1 1.6350 0.05 . 2 . . . . 53 LEU HB1 . 16083 1 484 . 1 1 53 53 LEU HB3 H 1 1.6460 0.05 . 2 . . . . 53 LEU HB2 . 16083 1 485 . 1 1 53 53 LEU HD11 H 1 1.0020 0.05 . 2 . . . . 53 LEU HD11 . 16083 1 486 . 1 1 53 53 LEU HD12 H 1 1.0020 0.05 . 2 . . . . 53 LEU HD11 . 16083 1 487 . 1 1 53 53 LEU HD13 H 1 1.0020 0.05 . 2 . . . . 53 LEU HD11 . 16083 1 488 . 1 1 53 53 LEU HD21 H 1 0.7680 0.05 . 2 . . . . 53 LEU HD21 . 16083 1 489 . 1 1 53 53 LEU HD22 H 1 0.7680 0.05 . 2 . . . . 53 LEU HD21 . 16083 1 490 . 1 1 53 53 LEU HD23 H 1 0.7680 0.05 . 2 . . . . 53 LEU HD21 . 16083 1 491 . 1 1 53 53 LEU HG H 1 1.5980 0.05 . 1 . . . . 53 LEU HG . 16083 1 492 . 1 1 53 53 LEU C C 13 175.0950 0.30 . 1 . . . . 53 LEU C . 16083 1 493 . 1 1 53 53 LEU CA C 13 54.1120 0.30 . 1 . . . . 53 LEU CA . 16083 1 494 . 1 1 53 53 LEU CB C 13 42.5480 0.30 . 1 . . . . 53 LEU CB . 16083 1 495 . 1 1 53 53 LEU CD1 C 13 22.3360 0.30 . 2 . . . . 53 LEU CD1 . 16083 1 496 . 1 1 53 53 LEU CD2 C 13 26.6040 0.30 . 2 . . . . 53 LEU CD2 . 16083 1 497 . 1 1 53 53 LEU CG C 13 26.0000 0.30 . 1 . . . . 53 LEU CG . 16083 1 498 . 1 1 53 53 LEU N N 15 119.8270 0.50 . 1 . . . . 53 LEU N . 16083 1 499 . 1 1 54 54 GLU H H 1 7.5150 0.05 . 1 . . . . 54 GLU HN . 16083 1 500 . 1 1 54 54 GLU C C 13 175.1180 0.30 . 1 . . . . 54 GLU C . 16083 1 501 . 1 1 54 54 GLU CA C 13 56.8110 0.30 . 1 . . . . 54 GLU CA . 16083 1 502 . 1 1 54 54 GLU CB C 13 25.9440 0.30 . 1 . . . . 54 GLU CB . 16083 1 503 . 1 1 54 54 GLU N N 15 112.7990 0.50 . 1 . . . . 54 GLU N . 16083 1 504 . 1 1 55 55 ARG H H 1 7.7190 0.05 . 1 . . . . 55 ARG HN . 16083 1 505 . 1 1 55 55 ARG HA H 1 4.4070 0.05 . 1 . . . . 55 ARG HA . 16083 1 506 . 1 1 55 55 ARG HB2 H 1 1.2520 0.05 . 2 . . . . 55 ARG HB1 . 16083 1 507 . 1 1 55 55 ARG HB3 H 1 0.9070 0.05 . 2 . . . . 55 ARG HB2 . 16083 1 508 . 1 1 55 55 ARG HD2 H 1 3.2430 0.05 . 2 . . . . 55 ARG HD1 . 16083 1 509 . 1 1 55 55 ARG HD3 H 1 2.7510 0.05 . 2 . . . . 55 ARG HD2 . 16083 1 510 . 1 1 55 55 ARG HG2 H 1 1.4950 0.05 . 2 . . . . 55 ARG HG1 . 16083 1 511 . 1 1 55 55 ARG HG3 H 1 1.7650 0.05 . 2 . . . . 55 ARG HG2 . 16083 1 512 . 1 1 55 55 ARG C C 13 176.8200 0.30 . 1 . . . . 55 ARG C . 16083 1 513 . 1 1 55 55 ARG CA C 13 54.4930 0.30 . 1 . . . . 55 ARG CA . 16083 1 514 . 1 1 55 55 ARG CB C 13 29.0410 0.30 . 1 . . . . 55 ARG CB . 16083 1 515 . 1 1 55 55 ARG CD C 13 44.8420 0.30 . 1 . . . . 55 ARG CD . 16083 1 516 . 1 1 55 55 ARG CG C 13 25.3010 0.30 . 1 . . . . 55 ARG CG . 16083 1 517 . 1 1 55 55 ARG N N 15 122.3690 0.50 . 1 . . . . 55 ARG N . 16083 1 518 . 1 1 56 56 TYR H H 1 6.4030 0.05 . 1 . . . . 56 TYR HN . 16083 1 519 . 1 1 56 56 TYR HA H 1 3.8790 0.05 . 1 . . . . 56 TYR HA . 16083 1 520 . 1 1 56 56 TYR HB2 H 1 3.3050 0.05 . 2 . . . . 56 TYR HB1 . 16083 1 521 . 1 1 56 56 TYR HB3 H 1 2.6770 0.05 . 2 . . . . 56 TYR HB2 . 16083 1 522 . 1 1 56 56 TYR HD1 H 1 6.9780 0.05 . 3 . . . . 56 TYR HD1 . 16083 1 523 . 1 1 56 56 TYR HD2 H 1 6.9780 0.05 . 3 . . . . 56 TYR HD2 . 16083 1 524 . 1 1 56 56 TYR HE1 H 1 6.2920 0.05 . 3 . . . . 56 TYR HE1 . 16083 1 525 . 1 1 56 56 TYR HE2 H 1 6.2920 0.05 . 3 . . . . 56 TYR HE2 . 16083 1 526 . 1 1 56 56 TYR C C 13 177.8790 0.30 . 1 . . . . 56 TYR C . 16083 1 527 . 1 1 56 56 TYR CA C 13 62.0800 0.30 . 1 . . . . 56 TYR CA . 16083 1 528 . 1 1 56 56 TYR CB C 13 38.4430 0.30 . 1 . . . . 56 TYR CB . 16083 1 529 . 1 1 56 56 TYR N N 15 117.1280 0.50 . 1 . . . . 56 TYR N . 16083 1 530 . 1 1 57 57 GLU H H 1 9.0320 0.05 . 1 . . . . 57 GLU HN . 16083 1 531 . 1 1 57 57 GLU HA H 1 3.8650 0.05 . 1 . . . . 57 GLU HA . 16083 1 532 . 1 1 57 57 GLU C C 13 179.4170 0.30 . 1 . . . . 57 GLU C . 16083 1 533 . 1 1 57 57 GLU CA C 13 60.7220 0.30 . 1 . . . . 57 GLU CA . 16083 1 534 . 1 1 57 57 GLU CB C 13 29.1240 0.30 . 1 . . . . 57 GLU CB . 16083 1 535 . 1 1 57 57 GLU N N 15 118.9810 0.50 . 1 . . . . 57 GLU N . 16083 1 536 . 1 1 58 58 GLU H H 1 8.2860 0.05 . 1 . . . . 58 GLU HN . 16083 1 537 . 1 1 58 58 GLU HA H 1 4.0500 0.05 . 1 . . . . 58 GLU HA . 16083 1 538 . 1 1 58 58 GLU C C 13 179.4760 0.30 . 1 . . . . 58 GLU C . 16083 1 539 . 1 1 58 58 GLU CA C 13 59.2890 0.30 . 1 . . . . 58 GLU CA . 16083 1 540 . 1 1 58 58 GLU CB C 13 31.2340 0.30 . 1 . . . . 58 GLU CB . 16083 1 541 . 1 1 58 58 GLU N N 15 119.1230 0.50 . 1 . . . . 58 GLU N . 16083 1 542 . 1 1 59 59 ALA H H 1 8.1310 0.05 . 1 . . . . 59 ALA HN . 16083 1 543 . 1 1 59 59 ALA HA H 1 3.7860 0.05 . 1 . . . . 59 ALA HA . 16083 1 544 . 1 1 59 59 ALA HB1 H 1 1.5460 0.05 . 1 . . . . 59 ALA HB1 . 16083 1 545 . 1 1 59 59 ALA HB2 H 1 1.5460 0.05 . 1 . . . . 59 ALA HB1 . 16083 1 546 . 1 1 59 59 ALA HB3 H 1 1.5460 0.05 . 1 . . . . 59 ALA HB1 . 16083 1 547 . 1 1 59 59 ALA C C 13 178.2810 0.30 . 1 . . . . 59 ALA C . 16083 1 548 . 1 1 59 59 ALA CA C 13 56.3240 0.30 . 1 . . . . 59 ALA CA . 16083 1 549 . 1 1 59 59 ALA CB C 13 17.4440 0.30 . 1 . . . . 59 ALA CB . 16083 1 550 . 1 1 59 59 ALA N N 15 124.0090 0.50 . 1 . . . . 59 ALA N . 16083 1 551 . 1 1 60 60 VAL H H 1 8.0790 0.05 . 1 . . . . 60 VAL HN . 16083 1 552 . 1 1 60 60 VAL HA H 1 3.4390 0.05 . 1 . . . . 60 VAL HA . 16083 1 553 . 1 1 60 60 VAL HB H 1 2.2680 0.05 . 1 . . . . 60 VAL HB . 16083 1 554 . 1 1 60 60 VAL HG11 H 1 1.1860 0.05 . 2 . . . . 60 VAL HG11 . 16083 1 555 . 1 1 60 60 VAL HG12 H 1 1.1860 0.05 . 2 . . . . 60 VAL HG11 . 16083 1 556 . 1 1 60 60 VAL HG13 H 1 1.1860 0.05 . 2 . . . . 60 VAL HG11 . 16083 1 557 . 1 1 60 60 VAL HG21 H 1 0.9830 0.05 . 2 . . . . 60 VAL HG21 . 16083 1 558 . 1 1 60 60 VAL HG22 H 1 0.9830 0.05 . 2 . . . . 60 VAL HG21 . 16083 1 559 . 1 1 60 60 VAL HG23 H 1 0.9830 0.05 . 2 . . . . 60 VAL HG21 . 16083 1 560 . 1 1 60 60 VAL C C 13 177.3230 0.30 . 1 . . . . 60 VAL C . 16083 1 561 . 1 1 60 60 VAL CA C 13 67.4100 0.30 . 1 . . . . 60 VAL CA . 16083 1 562 . 1 1 60 60 VAL CB C 13 31.2590 0.30 . 1 . . . . 60 VAL CB . 16083 1 563 . 1 1 60 60 VAL CG1 C 13 25.2640 0.30 . 2 . . . . 60 VAL CG1 . 16083 1 564 . 1 1 60 60 VAL CG2 C 13 22.2000 0.30 . 2 . . . . 60 VAL CG2 . 16083 1 565 . 1 1 60 60 VAL N N 15 116.6470 0.50 . 1 . . . . 60 VAL N . 16083 1 566 . 1 1 61 61 ASP H H 1 7.7370 0.05 . 1 . . . . 61 ASP HN . 16083 1 567 . 1 1 61 61 ASP HA H 1 4.4460 0.05 . 1 . . . . 61 ASP HA . 16083 1 568 . 1 1 61 61 ASP HB2 H 1 2.8980 0.05 . 2 . . . . 61 ASP HB1 . 16083 1 569 . 1 1 61 61 ASP HB3 H 1 2.6910 0.05 . 2 . . . . 61 ASP HB2 . 16083 1 570 . 1 1 61 61 ASP C C 13 179.9860 0.30 . 1 . . . . 61 ASP C . 16083 1 571 . 1 1 61 61 ASP CA C 13 58.1230 0.30 . 1 . . . . 61 ASP CA . 16083 1 572 . 1 1 61 61 ASP CB C 13 40.1600 0.30 . 1 . . . . 61 ASP CB . 16083 1 573 . 1 1 61 61 ASP N N 15 119.2760 0.50 . 1 . . . . 61 ASP N . 16083 1 574 . 1 1 62 62 CYS H H 1 7.3870 0.05 . 1 . . . . 62 CYS HN . 16083 1 575 . 1 1 62 62 CYS HA H 1 4.3370 0.05 . 1 . . . . 62 CYS HA . 16083 1 576 . 1 1 62 62 CYS HB2 H 1 3.2090 0.05 . 2 . . . . 62 CYS HB1 . 16083 1 577 . 1 1 62 62 CYS HB3 H 1 3.0660 0.05 . 2 . . . . 62 CYS HB2 . 16083 1 578 . 1 1 62 62 CYS C C 13 176.2760 0.30 . 1 . . . . 62 CYS C . 16083 1 579 . 1 1 62 62 CYS CA C 13 63.5850 0.30 . 1 . . . . 62 CYS CA . 16083 1 580 . 1 1 62 62 CYS CB C 13 26.4410 0.30 . 1 . . . . 62 CYS CB . 16083 1 581 . 1 1 62 62 CYS N N 15 118.7940 0.50 . 1 . . . . 62 CYS N . 16083 1 582 . 1 1 63 63 TYR H H 1 7.3910 0.05 . 1 . . . . 63 TYR HN . 16083 1 583 . 1 1 63 63 TYR HA H 1 4.2490 0.05 . 1 . . . . 63 TYR HA . 16083 1 584 . 1 1 63 63 TYR HB2 H 1 2.9030 0.05 . 2 . . . . 63 TYR HB1 . 16083 1 585 . 1 1 63 63 TYR HB3 H 1 2.6930 0.05 . 2 . . . . 63 TYR HB2 . 16083 1 586 . 1 1 63 63 TYR HD1 H 1 6.5930 0.05 . 3 . . . . 63 TYR HD1 . 16083 1 587 . 1 1 63 63 TYR HD2 H 1 6.5930 0.05 . 3 . . . . 63 TYR HD2 . 16083 1 588 . 1 1 63 63 TYR C C 13 178.1130 0.30 . 1 . . . . 63 TYR C . 16083 1 589 . 1 1 63 63 TYR CA C 13 57.9940 0.30 . 1 . . . . 63 TYR CA . 16083 1 590 . 1 1 63 63 TYR CB C 13 36.2880 0.30 . 1 . . . . 63 TYR CB . 16083 1 591 . 1 1 63 63 TYR N N 15 119.7750 0.50 . 1 . . . . 63 TYR N . 16083 1 592 . 1 1 64 64 ASN H H 1 9.1210 0.05 . 1 . . . . 64 ASN HN . 16083 1 593 . 1 1 64 64 ASN HA H 1 4.3280 0.05 . 1 . . . . 64 ASN HA . 16083 1 594 . 1 1 64 64 ASN HB2 H 1 2.8450 0.05 . 2 . . . . 64 ASN HB1 . 16083 1 595 . 1 1 64 64 ASN HB3 H 1 2.6730 0.05 . 2 . . . . 64 ASN HB2 . 16083 1 596 . 1 1 64 64 ASN C C 13 177.3460 0.30 . 1 . . . . 64 ASN C . 16083 1 597 . 1 1 64 64 ASN CA C 13 54.8090 0.30 . 1 . . . . 64 ASN CA . 16083 1 598 . 1 1 64 64 ASN CB C 13 36.9040 0.30 . 1 . . . . 64 ASN CB . 16083 1 599 . 1 1 64 64 ASN N N 15 117.3430 0.50 . 1 . . . . 64 ASN N . 16083 1 600 . 1 1 65 65 TYR H H 1 7.6350 0.05 . 1 . . . . 65 TYR HN . 16083 1 601 . 1 1 65 65 TYR HA H 1 3.6600 0.05 . 1 . . . . 65 TYR HA . 16083 1 602 . 1 1 65 65 TYR HB2 H 1 2.3940 0.05 . 2 . . . . 65 TYR HB1 . 16083 1 603 . 1 1 65 65 TYR HB3 H 1 2.2820 0.05 . 2 . . . . 65 TYR HB2 . 16083 1 604 . 1 1 65 65 TYR HD1 H 1 5.8940 0.05 . 3 . . . . 65 TYR HD1 . 16083 1 605 . 1 1 65 65 TYR HD2 H 1 5.8940 0.05 . 3 . . . . 65 TYR HD2 . 16083 1 606 . 1 1 65 65 TYR HE1 H 1 6.5660 0.05 . 3 . . . . 65 TYR HE1 . 16083 1 607 . 1 1 65 65 TYR HE2 H 1 6.5660 0.05 . 3 . . . . 65 TYR HE2 . 16083 1 608 . 1 1 65 65 TYR C C 13 178.5990 0.30 . 1 . . . . 65 TYR C . 16083 1 609 . 1 1 65 65 TYR CA C 13 62.2670 0.30 . 1 . . . . 65 TYR CA . 16083 1 610 . 1 1 65 65 TYR CB C 13 37.8860 0.30 . 1 . . . . 65 TYR CB . 16083 1 611 . 1 1 65 65 TYR N N 15 124.1810 0.50 . 1 . . . . 65 TYR N . 16083 1 612 . 1 1 66 66 VAL H H 1 7.0930 0.05 . 1 . . . . 66 VAL HN . 16083 1 613 . 1 1 66 66 VAL HA H 1 3.3160 0.05 . 1 . . . . 66 VAL HA . 16083 1 614 . 1 1 66 66 VAL HB H 1 2.7060 0.05 . 1 . . . . 66 VAL HB . 16083 1 615 . 1 1 66 66 VAL HG11 H 1 1.2140 0.05 . 2 . . . . 66 VAL HG11 . 16083 1 616 . 1 1 66 66 VAL HG12 H 1 1.2140 0.05 . 2 . . . . 66 VAL HG11 . 16083 1 617 . 1 1 66 66 VAL HG13 H 1 1.2140 0.05 . 2 . . . . 66 VAL HG11 . 16083 1 618 . 1 1 66 66 VAL HG21 H 1 1.1100 0.05 . 2 . . . . 66 VAL HG21 . 16083 1 619 . 1 1 66 66 VAL HG22 H 1 1.1100 0.05 . 2 . . . . 66 VAL HG21 . 16083 1 620 . 1 1 66 66 VAL HG23 H 1 1.1100 0.05 . 2 . . . . 66 VAL HG21 . 16083 1 621 . 1 1 66 66 VAL C C 13 177.0700 0.30 . 1 . . . . 66 VAL C . 16083 1 622 . 1 1 66 66 VAL CA C 13 65.9440 0.30 . 1 . . . . 66 VAL CA . 16083 1 623 . 1 1 66 66 VAL CB C 13 31.6130 0.30 . 1 . . . . 66 VAL CB . 16083 1 624 . 1 1 66 66 VAL CG1 C 13 23.5920 0.30 . 2 . . . . 66 VAL CG1 . 16083 1 625 . 1 1 66 66 VAL CG2 C 13 22.1490 0.30 . 2 . . . . 66 VAL CG2 . 16083 1 626 . 1 1 66 66 VAL N N 15 119.2470 0.50 . 1 . . . . 66 VAL N . 16083 1 627 . 1 1 67 67 ILE H H 1 7.6400 0.05 . 1 . . . . 67 ILE HN . 16083 1 628 . 1 1 67 67 ILE HA H 1 3.0560 0.05 . 1 . . . . 67 ILE HA . 16083 1 629 . 1 1 67 67 ILE HB H 1 1.1990 0.05 . 1 . . . . 67 ILE HB . 16083 1 630 . 1 1 67 67 ILE HD11 H 1 -0.4780 0.05 . 1 . . . . 67 ILE HD11 . 16083 1 631 . 1 1 67 67 ILE HD12 H 1 -0.4780 0.05 . 1 . . . . 67 ILE HD11 . 16083 1 632 . 1 1 67 67 ILE HD13 H 1 -0.4780 0.05 . 1 . . . . 67 ILE HD11 . 16083 1 633 . 1 1 67 67 ILE HG12 H 1 1.0320 0.05 . 2 . . . . 67 ILE HG11 . 16083 1 634 . 1 1 67 67 ILE HG13 H 1 0.2050 0.05 . 2 . . . . 67 ILE HG12 . 16083 1 635 . 1 1 67 67 ILE HG21 H 1 0.7060 0.05 . 1 . . . . 67 ILE HG21 . 16083 1 636 . 1 1 67 67 ILE HG22 H 1 0.7060 0.05 . 1 . . . . 67 ILE HG21 . 16083 1 637 . 1 1 67 67 ILE HG23 H 1 0.7060 0.05 . 1 . . . . 67 ILE HG21 . 16083 1 638 . 1 1 67 67 ILE C C 13 176.8220 0.30 . 1 . . . . 67 ILE C . 16083 1 639 . 1 1 67 67 ILE CA C 13 64.9020 0.30 . 1 . . . . 67 ILE CA . 16083 1 640 . 1 1 67 67 ILE CB C 13 39.4440 0.30 . 1 . . . . 67 ILE CB . 16083 1 641 . 1 1 67 67 ILE CD1 C 13 12.4140 0.30 . 1 . . . . 67 ILE CD1 . 16083 1 642 . 1 1 67 67 ILE CG1 C 13 29.1100 0.30 . 1 . . . . 67 ILE CG1 . 16083 1 643 . 1 1 67 67 ILE CG2 C 13 17.8570 0.30 . 1 . . . . 67 ILE CG2 . 16083 1 644 . 1 1 67 67 ILE N N 15 117.8140 0.50 . 1 . . . . 67 ILE N . 16083 1 645 . 1 1 68 68 ASN H H 1 8.5870 0.05 . 1 . . . . 68 ASN HN . 16083 1 646 . 1 1 68 68 ASN HA H 1 4.5640 0.05 . 1 . . . . 68 ASN HA . 16083 1 647 . 1 1 68 68 ASN HB2 H 1 2.7040 0.05 . 2 . . . . 68 ASN HB1 . 16083 1 648 . 1 1 68 68 ASN HB3 H 1 2.6030 0.05 . 2 . . . . 68 ASN HB2 . 16083 1 649 . 1 1 68 68 ASN C C 13 176.0070 0.30 . 1 . . . . 68 ASN C . 16083 1 650 . 1 1 68 68 ASN CA C 13 54.5690 0.30 . 1 . . . . 68 ASN CA . 16083 1 651 . 1 1 68 68 ASN CB C 13 39.4240 0.30 . 1 . . . . 68 ASN CB . 16083 1 652 . 1 1 68 68 ASN N N 15 112.6920 0.50 . 1 . . . . 68 ASN N . 16083 1 653 . 1 1 69 69 VAL H H 1 7.6070 0.05 . 1 . . . . 69 VAL HN . 16083 1 654 . 1 1 69 69 VAL HA H 1 3.8130 0.05 . 1 . . . . 69 VAL HA . 16083 1 655 . 1 1 69 69 VAL HG11 H 1 0.4500 0.05 . 2 . . . . 69 VAL HG11 . 16083 1 656 . 1 1 69 69 VAL HG12 H 1 0.4500 0.05 . 2 . . . . 69 VAL HG11 . 16083 1 657 . 1 1 69 69 VAL HG13 H 1 0.4500 0.05 . 2 . . . . 69 VAL HG11 . 16083 1 658 . 1 1 69 69 VAL HG21 H 1 0.4500 0.05 . 2 . . . . 69 VAL HG21 . 16083 1 659 . 1 1 69 69 VAL HG22 H 1 0.4500 0.05 . 2 . . . . 69 VAL HG21 . 16083 1 660 . 1 1 69 69 VAL HG23 H 1 0.4500 0.05 . 2 . . . . 69 VAL HG21 . 16083 1 661 . 1 1 69 69 VAL C C 13 177.4900 0.30 . 1 . . . . 69 VAL C . 16083 1 662 . 1 1 69 69 VAL CA C 13 64.7630 0.30 . 1 . . . . 69 VAL CA . 16083 1 663 . 1 1 69 69 VAL CB C 13 30.8040 0.30 . 1 . . . . 69 VAL CB . 16083 1 664 . 1 1 69 69 VAL CG1 C 13 21.1410 0.30 . 2 . . . . 69 VAL CG1 . 16083 1 665 . 1 1 69 69 VAL CG2 C 13 21.1410 0.30 . 2 . . . . 69 VAL CG2 . 16083 1 666 . 1 1 69 69 VAL N N 15 119.5690 0.50 . 1 . . . . 69 VAL N . 16083 1 667 . 1 1 70 70 ILE H H 1 7.4890 0.05 . 1 . . . . 70 ILE HN . 16083 1 668 . 1 1 70 70 ILE HA H 1 3.6350 0.05 . 1 . . . . 70 ILE HA . 16083 1 669 . 1 1 70 70 ILE HB H 1 2.2390 0.05 . 1 . . . . 70 ILE HB . 16083 1 670 . 1 1 70 70 ILE HD11 H 1 0.9510 0.05 . 1 . . . . 70 ILE HD11 . 16083 1 671 . 1 1 70 70 ILE HD12 H 1 0.9510 0.05 . 1 . . . . 70 ILE HD11 . 16083 1 672 . 1 1 70 70 ILE HD13 H 1 0.9510 0.05 . 1 . . . . 70 ILE HD11 . 16083 1 673 . 1 1 70 70 ILE HG12 H 1 1.5100 0.05 . 2 . . . . 70 ILE HG11 . 16083 1 674 . 1 1 70 70 ILE HG13 H 1 0.9480 0.05 . 2 . . . . 70 ILE HG12 . 16083 1 675 . 1 1 70 70 ILE HG21 H 1 1.0100 0.05 . 1 . . . . 70 ILE HG21 . 16083 1 676 . 1 1 70 70 ILE HG22 H 1 1.0100 0.05 . 1 . . . . 70 ILE HG21 . 16083 1 677 . 1 1 70 70 ILE HG23 H 1 1.0100 0.05 . 1 . . . . 70 ILE HG21 . 16083 1 678 . 1 1 70 70 ILE C C 13 176.5230 0.30 . 1 . . . . 70 ILE C . 16083 1 679 . 1 1 70 70 ILE CA C 13 64.0900 0.30 . 1 . . . . 70 ILE CA . 16083 1 680 . 1 1 70 70 ILE CB C 13 37.0260 0.30 . 1 . . . . 70 ILE CB . 16083 1 681 . 1 1 70 70 ILE CD1 C 13 13.5800 0.30 . 1 . . . . 70 ILE CD1 . 16083 1 682 . 1 1 70 70 ILE CG1 C 13 29.7250 0.30 . 1 . . . . 70 ILE CG1 . 16083 1 683 . 1 1 70 70 ILE CG2 C 13 17.5340 0.30 . 1 . . . . 70 ILE CG2 . 16083 1 684 . 1 1 70 70 ILE N N 15 119.2760 0.50 . 1 . . . . 70 ILE N . 16083 1 685 . 1 1 71 71 GLU H H 1 6.6410 0.05 . 1 . . . . 71 GLU HN . 16083 1 686 . 1 1 71 71 GLU HA H 1 3.8650 0.05 . 1 . . . . 71 GLU HA . 16083 1 687 . 1 1 71 71 GLU HB2 H 1 2.2630 0.05 . 2 . . . . 71 GLU HB1 . 16083 1 688 . 1 1 71 71 GLU HB3 H 1 2.1770 0.05 . 2 . . . . 71 GLU HB2 . 16083 1 689 . 1 1 71 71 GLU HG2 H 1 1.8640 0.05 . 2 . . . . 71 GLU HG1 . 16083 1 690 . 1 1 71 71 GLU C C 13 176.4150 0.30 . 1 . . . . 71 GLU C . 16083 1 691 . 1 1 71 71 GLU CA C 13 57.2290 0.30 . 1 . . . . 71 GLU CA . 16083 1 692 . 1 1 71 71 GLU CB C 13 26.1420 0.30 . 1 . . . . 71 GLU CB . 16083 1 693 . 1 1 71 71 GLU CG C 13 37.0410 0.30 . 1 . . . . 71 GLU CG . 16083 1 694 . 1 1 71 71 GLU N N 15 110.1790 0.50 . 1 . . . . 71 GLU N . 16083 1 695 . 1 1 72 72 ASP H H 1 7.7440 0.05 . 1 . . . . 72 ASP HN . 16083 1 696 . 1 1 72 72 ASP HA H 1 4.8130 0.05 . 1 . . . . 72 ASP HA . 16083 1 697 . 1 1 72 72 ASP HB2 H 1 2.7950 0.05 . 2 . . . . 72 ASP HB1 . 16083 1 698 . 1 1 72 72 ASP HB3 H 1 2.3170 0.05 . 2 . . . . 72 ASP HB2 . 16083 1 699 . 1 1 72 72 ASP C C 13 176.2300 0.30 . 1 . . . . 72 ASP C . 16083 1 700 . 1 1 72 72 ASP CA C 13 52.2030 0.30 . 1 . . . . 72 ASP CA . 16083 1 701 . 1 1 72 72 ASP CB C 13 39.2560 0.30 . 1 . . . . 72 ASP CB . 16083 1 702 . 1 1 72 72 ASP N N 15 121.7330 0.50 . 1 . . . . 72 ASP N . 16083 1 703 . 1 1 73 73 GLU H H 1 7.5100 0.05 . 1 . . . . 73 GLU HN . 16083 1 704 . 1 1 73 73 GLU HA H 1 3.9460 0.05 . 1 . . . . 73 GLU HA . 16083 1 705 . 1 1 73 73 GLU HB2 H 1 1.8670 0.05 . 2 . . . . 73 GLU HB1 . 16083 1 706 . 1 1 73 73 GLU HB3 H 1 1.6480 0.05 . 2 . . . . 73 GLU HB2 . 16083 1 707 . 1 1 73 73 GLU HG2 H 1 1.7930 0.05 . 2 . . . . 73 GLU HG1 . 16083 1 708 . 1 1 73 73 GLU HG3 H 1 1.5350 0.05 . 2 . . . . 73 GLU HG2 . 16083 1 709 . 1 1 73 73 GLU C C 13 176.7450 0.30 . 1 . . . . 73 GLU C . 16083 1 710 . 1 1 73 73 GLU CA C 13 58.3030 0.30 . 1 . . . . 73 GLU CA . 16083 1 711 . 1 1 73 73 GLU CB C 13 30.6640 0.30 . 1 . . . . 73 GLU CB . 16083 1 712 . 1 1 73 73 GLU CG C 13 35.6560 0.30 . 1 . . . . 73 GLU CG . 16083 1 713 . 1 1 73 73 GLU N N 15 116.7240 0.50 . 1 . . . . 73 GLU N . 16083 1 714 . 1 1 74 74 TYR H H 1 8.7940 0.05 . 1 . . . . 74 TYR HN . 16083 1 715 . 1 1 74 74 TYR HA H 1 4.8750 0.05 . 1 . . . . 74 TYR HA . 16083 1 716 . 1 1 74 74 TYR HB2 H 1 3.3360 0.05 . 2 . . . . 74 TYR HB1 . 16083 1 717 . 1 1 74 74 TYR HB3 H 1 2.7210 0.05 . 2 . . . . 74 TYR HB2 . 16083 1 718 . 1 1 74 74 TYR HD1 H 1 7.0300 0.05 . 3 . . . . 74 TYR HD1 . 16083 1 719 . 1 1 74 74 TYR HD2 H 1 7.0300 0.05 . 3 . . . . 74 TYR HD2 . 16083 1 720 . 1 1 74 74 TYR HE1 H 1 6.6690 0.05 . 3 . . . . 74 TYR HE1 . 16083 1 721 . 1 1 74 74 TYR HE2 H 1 6.6690 0.05 . 3 . . . . 74 TYR HE2 . 16083 1 722 . 1 1 74 74 TYR C C 13 174.8790 0.30 . 1 . . . . 74 TYR C . 16083 1 723 . 1 1 74 74 TYR CA C 13 56.7320 0.30 . 1 . . . . 74 TYR CA . 16083 1 724 . 1 1 74 74 TYR CB C 13 37.0690 0.30 . 1 . . . . 74 TYR CB . 16083 1 725 . 1 1 74 74 TYR N N 15 120.0800 0.50 . 1 . . . . 74 TYR N . 16083 1 726 . 1 1 75 75 ASN H H 1 7.2370 0.05 . 1 . . . . 75 ASN HN . 16083 1 727 . 1 1 75 75 ASN HA H 1 4.6010 0.05 . 1 . . . . 75 ASN HA . 16083 1 728 . 1 1 75 75 ASN HB2 H 1 2.8520 0.05 . 2 . . . . 75 ASN HB1 . 16083 1 729 . 1 1 75 75 ASN HB3 H 1 2.6160 0.05 . 2 . . . . 75 ASN HB2 . 16083 1 730 . 1 1 75 75 ASN C C 13 175.1460 0.30 . 1 . . . . 75 ASN C . 16083 1 731 . 1 1 75 75 ASN CA C 13 53.1240 0.30 . 1 . . . . 75 ASN CA . 16083 1 732 . 1 1 75 75 ASN CB C 13 37.7550 0.30 . 1 . . . . 75 ASN CB . 16083 1 733 . 1 1 75 75 ASN N N 15 118.6650 0.50 . 1 . . . . 75 ASN N . 16083 1 734 . 1 1 76 76 LYS H H 1 8.6720 0.05 . 1 . . . . 76 LYS HN . 16083 1 735 . 1 1 76 76 LYS HA H 1 4.0770 0.05 . 1 . . . . 76 LYS HA . 16083 1 736 . 1 1 76 76 LYS HD2 H 1 1.9370 0.05 . 2 . . . . 76 LYS HD1 . 16083 1 737 . 1 1 76 76 LYS HD3 H 1 1.9340 0.05 . 2 . . . . 76 LYS HD2 . 16083 1 738 . 1 1 76 76 LYS HE2 H 1 3.0080 0.05 . 2 . . . . 76 LYS HE1 . 16083 1 739 . 1 1 76 76 LYS HE3 H 1 3.0030 0.05 . 2 . . . . 76 LYS HE2 . 16083 1 740 . 1 1 76 76 LYS HG2 H 1 1.6430 0.05 . 2 . . . . 76 LYS HG1 . 16083 1 741 . 1 1 76 76 LYS HG3 H 1 1.5340 0.05 . 2 . . . . 76 LYS HG2 . 16083 1 742 . 1 1 76 76 LYS C C 13 177.7730 0.30 . 1 . . . . 76 LYS C . 16083 1 743 . 1 1 76 76 LYS CA C 13 60.0600 0.30 . 1 . . . . 76 LYS CA . 16083 1 744 . 1 1 76 76 LYS CB C 13 37.8270 0.30 . 1 . . . . 76 LYS CB . 16083 1 745 . 1 1 76 76 LYS CD C 13 32.3510 0.30 . 1 . . . . 76 LYS CD . 16083 1 746 . 1 1 76 76 LYS CE C 13 42.0180 0.30 . 1 . . . . 76 LYS CE . 16083 1 747 . 1 1 76 76 LYS CG C 13 24.8420 0.30 . 1 . . . . 76 LYS CG . 16083 1 748 . 1 1 76 76 LYS N N 15 127.8680 0.50 . 1 . . . . 76 LYS N . 16083 1 749 . 1 1 77 77 ASP H H 1 7.9460 0.05 . 1 . . . . 77 ASP HN . 16083 1 750 . 1 1 77 77 ASP HA H 1 4.4140 0.05 . 1 . . . . 77 ASP HA . 16083 1 751 . 1 1 77 77 ASP HB2 H 1 2.7030 0.05 . 2 . . . . 77 ASP HB1 . 16083 1 752 . 1 1 77 77 ASP HB3 H 1 2.5200 0.05 . 2 . . . . 77 ASP HB2 . 16083 1 753 . 1 1 77 77 ASP C C 13 179.2650 0.30 . 1 . . . . 77 ASP C . 16083 1 754 . 1 1 77 77 ASP CA C 13 57.1270 0.30 . 1 . . . . 77 ASP CA . 16083 1 755 . 1 1 77 77 ASP CB C 13 40.6340 0.30 . 1 . . . . 77 ASP CB . 16083 1 756 . 1 1 77 77 ASP N N 15 117.8830 0.50 . 1 . . . . 77 ASP N . 16083 1 757 . 1 1 78 78 VAL H H 1 7.6530 0.05 . 1 . . . . 78 VAL HN . 16083 1 758 . 1 1 78 78 VAL HA H 1 3.2820 0.05 . 1 . . . . 78 VAL HA . 16083 1 759 . 1 1 78 78 VAL HB H 1 1.8050 0.05 . 1 . . . . 78 VAL HB . 16083 1 760 . 1 1 78 78 VAL HG11 H 1 0.8890 0.05 . 2 . . . . 78 VAL HG11 . 16083 1 761 . 1 1 78 78 VAL HG12 H 1 0.8890 0.05 . 2 . . . . 78 VAL HG11 . 16083 1 762 . 1 1 78 78 VAL HG13 H 1 0.8890 0.05 . 2 . . . . 78 VAL HG11 . 16083 1 763 . 1 1 78 78 VAL HG21 H 1 0.5850 0.05 . 2 . . . . 78 VAL HG21 . 16083 1 764 . 1 1 78 78 VAL HG22 H 1 0.5850 0.05 . 2 . . . . 78 VAL HG21 . 16083 1 765 . 1 1 78 78 VAL HG23 H 1 0.5850 0.05 . 2 . . . . 78 VAL HG21 . 16083 1 766 . 1 1 78 78 VAL C C 13 176.6240 0.30 . 1 . . . . 78 VAL C . 16083 1 767 . 1 1 78 78 VAL CA C 13 65.5310 0.30 . 1 . . . . 78 VAL CA . 16083 1 768 . 1 1 78 78 VAL CB C 13 31.2900 0.30 . 1 . . . . 78 VAL CB . 16083 1 769 . 1 1 78 78 VAL CG1 C 13 23.5900 0.30 . 2 . . . . 78 VAL CG1 . 16083 1 770 . 1 1 78 78 VAL CG2 C 13 20.9730 0.30 . 2 . . . . 78 VAL CG2 . 16083 1 771 . 1 1 78 78 VAL N N 15 121.2590 0.50 . 1 . . . . 78 VAL N . 16083 1 772 . 1 1 79 79 TRP H H 1 7.6260 0.05 . 1 . . . . 79 TRP HN . 16083 1 773 . 1 1 79 79 TRP HA H 1 4.1070 0.05 . 1 . . . . 79 TRP HA . 16083 1 774 . 1 1 79 79 TRP HB2 H 1 3.4510 0.05 . 2 . . . . 79 TRP HB1 . 16083 1 775 . 1 1 79 79 TRP HB3 H 1 2.8480 0.05 . 2 . . . . 79 TRP HB2 . 16083 1 776 . 1 1 79 79 TRP HD1 H 1 6.9140 0.05 . 1 . . . . 79 TRP HD1 . 16083 1 777 . 1 1 79 79 TRP HE1 H 1 10.1420 0.05 . 1 . . . . 79 TRP HE1 . 16083 1 778 . 1 1 79 79 TRP C C 13 177.9320 0.30 . 1 . . . . 79 TRP C . 16083 1 779 . 1 1 79 79 TRP CA C 13 61.4910 0.30 . 1 . . . . 79 TRP CA . 16083 1 780 . 1 1 79 79 TRP CB C 13 28.6650 0.30 . 1 . . . . 79 TRP CB . 16083 1 781 . 1 1 79 79 TRP N N 15 120.3880 0.50 . 1 . . . . 79 TRP N . 16083 1 782 . 1 1 79 79 TRP NE1 N 15 128.5240 0.50 . 1 . . . . 79 TRP NE1 . 16083 1 783 . 1 1 80 80 ALA H H 1 8.2960 0.05 . 1 . . . . 80 ALA HN . 16083 1 784 . 1 1 80 80 ALA HA H 1 3.8980 0.05 . 1 . . . . 80 ALA HA . 16083 1 785 . 1 1 80 80 ALA HB1 H 1 1.4340 0.05 . 1 . . . . 80 ALA HB1 . 16083 1 786 . 1 1 80 80 ALA HB2 H 1 1.4340 0.05 . 1 . . . . 80 ALA HB1 . 16083 1 787 . 1 1 80 80 ALA HB3 H 1 1.4340 0.05 . 1 . . . . 80 ALA HB1 . 16083 1 788 . 1 1 80 80 ALA C C 13 176.5560 0.30 . 1 . . . . 80 ALA C . 16083 1 789 . 1 1 80 80 ALA CA C 13 55.1580 0.30 . 1 . . . . 80 ALA CA . 16083 1 790 . 1 1 80 80 ALA CB C 13 18.1550 0.30 . 1 . . . . 80 ALA CB . 16083 1 791 . 1 1 80 80 ALA N N 15 120.4530 0.50 . 1 . . . . 80 ALA N . 16083 1 792 . 1 1 81 81 ALA H H 1 7.4050 0.05 . 1 . . . . 81 ALA HN . 16083 1 793 . 1 1 81 81 ALA HA H 1 3.8370 0.05 . 1 . . . . 81 ALA HA . 16083 1 794 . 1 1 81 81 ALA HB1 H 1 0.8440 0.05 . 1 . . . . 81 ALA HB1 . 16083 1 795 . 1 1 81 81 ALA HB2 H 1 0.8440 0.05 . 1 . . . . 81 ALA HB1 . 16083 1 796 . 1 1 81 81 ALA HB3 H 1 0.8440 0.05 . 1 . . . . 81 ALA HB1 . 16083 1 797 . 1 1 81 81 ALA C C 13 180.6460 0.30 . 1 . . . . 81 ALA C . 16083 1 798 . 1 1 81 81 ALA CA C 13 55.0280 0.30 . 1 . . . . 81 ALA CA . 16083 1 799 . 1 1 81 81 ALA CB C 13 15.6490 0.30 . 1 . . . . 81 ALA CB . 16083 1 800 . 1 1 81 81 ALA N N 15 120.9150 0.50 . 1 . . . . 81 ALA N . 16083 1 801 . 1 1 82 82 LYS H H 1 8.2440 0.05 . 1 . . . . 82 LYS HN . 16083 1 802 . 1 1 82 82 LYS HA H 1 3.8530 0.05 . 1 . . . . 82 LYS HA . 16083 1 803 . 1 1 82 82 LYS HB2 H 1 1.9940 0.05 . 2 . . . . 82 LYS HB1 . 16083 1 804 . 1 1 82 82 LYS HB3 H 1 1.4770 0.05 . 2 . . . . 82 LYS HB2 . 16083 1 805 . 1 1 82 82 LYS HD2 H 1 1.4240 0.05 . 2 . . . . 82 LYS HD1 . 16083 1 806 . 1 1 82 82 LYS HD3 H 1 1.4130 0.05 . 2 . . . . 82 LYS HD2 . 16083 1 807 . 1 1 82 82 LYS HE2 H 1 3.0450 0.05 . 2 . . . . 82 LYS HE1 . 16083 1 808 . 1 1 82 82 LYS HE3 H 1 2.9580 0.05 . 2 . . . . 82 LYS HE2 . 16083 1 809 . 1 1 82 82 LYS HG2 H 1 1.3560 0.05 . 2 . . . . 82 LYS HG1 . 16083 1 810 . 1 1 82 82 LYS HG3 H 1 1.3660 0.05 . 2 . . . . 82 LYS HG2 . 16083 1 811 . 1 1 82 82 LYS C C 13 177.1760 0.30 . 1 . . . . 82 LYS C . 16083 1 812 . 1 1 82 82 LYS CA C 13 60.5770 0.30 . 1 . . . . 82 LYS CA . 16083 1 813 . 1 1 82 82 LYS CB C 13 32.2430 0.30 . 1 . . . . 82 LYS CB . 16083 1 814 . 1 1 82 82 LYS CD C 13 26.4340 0.30 . 1 . . . . 82 LYS CD . 16083 1 815 . 1 1 82 82 LYS CE C 13 42.4790 0.30 . 1 . . . . 82 LYS CE . 16083 1 816 . 1 1 82 82 LYS N N 15 121.9790 0.50 . 1 . . . . 82 LYS N . 16083 1 817 . 1 1 83 83 ALA H H 1 8.4220 0.05 . 1 . . . . 83 ALA HN . 16083 1 818 . 1 1 83 83 ALA HA H 1 3.8940 0.05 . 1 . . . . 83 ALA HA . 16083 1 819 . 1 1 83 83 ALA HB1 H 1 1.5120 0.05 . 1 . . . . 83 ALA HB1 . 16083 1 820 . 1 1 83 83 ALA HB2 H 1 1.5120 0.05 . 1 . . . . 83 ALA HB1 . 16083 1 821 . 1 1 83 83 ALA HB3 H 1 1.5120 0.05 . 1 . . . . 83 ALA HB1 . 16083 1 822 . 1 1 83 83 ALA C C 13 178.7460 0.30 . 1 . . . . 83 ALA C . 16083 1 823 . 1 1 83 83 ALA CA C 13 56.2680 0.30 . 1 . . . . 83 ALA CA . 16083 1 824 . 1 1 83 83 ALA CB C 13 17.7000 0.30 . 1 . . . . 83 ALA CB . 16083 1 825 . 1 1 83 83 ALA N N 15 121.4190 0.50 . 1 . . . . 83 ALA N . 16083 1 826 . 1 1 84 84 ASP H H 1 7.4810 0.05 . 1 . . . . 84 ASP HN . 16083 1 827 . 1 1 84 84 ASP HA H 1 4.3770 0.05 . 1 . . . . 84 ASP HA . 16083 1 828 . 1 1 84 84 ASP C C 13 178.3940 0.30 . 1 . . . . 84 ASP C . 16083 1 829 . 1 1 84 84 ASP CA C 13 56.9460 0.30 . 1 . . . . 84 ASP CA . 16083 1 830 . 1 1 84 84 ASP CB C 13 40.3510 0.30 . 1 . . . . 84 ASP CB . 16083 1 831 . 1 1 84 84 ASP N N 15 114.6930 0.50 . 1 . . . . 84 ASP N . 16083 1 832 . 1 1 85 85 ALA H H 1 7.6800 0.05 . 1 . . . . 85 ALA HN . 16083 1 833 . 1 1 85 85 ALA HA H 1 4.5210 0.05 . 1 . . . . 85 ALA HA . 16083 1 834 . 1 1 85 85 ALA HB1 H 1 1.9350 0.05 . 1 . . . . 85 ALA HB1 . 16083 1 835 . 1 1 85 85 ALA HB2 H 1 1.9350 0.05 . 1 . . . . 85 ALA HB1 . 16083 1 836 . 1 1 85 85 ALA HB3 H 1 1.9350 0.05 . 1 . . . . 85 ALA HB1 . 16083 1 837 . 1 1 85 85 ALA C C 13 179.1000 0.30 . 1 . . . . 85 ALA C . 16083 1 838 . 1 1 85 85 ALA CA C 13 55.8190 0.30 . 1 . . . . 85 ALA CA . 16083 1 839 . 1 1 85 85 ALA CB C 13 19.2570 0.30 . 1 . . . . 85 ALA CB . 16083 1 840 . 1 1 85 85 ALA N N 15 119.1050 0.50 . 1 . . . . 85 ALA N . 16083 1 841 . 1 1 86 86 LEU H H 1 8.5160 0.05 . 1 . . . . 86 LEU HN . 16083 1 842 . 1 1 86 86 LEU HA H 1 3.9190 0.05 . 1 . . . . 86 LEU HA . 16083 1 843 . 1 1 86 86 LEU HB2 H 1 1.9260 0.05 . 2 . . . . 86 LEU HB1 . 16083 1 844 . 1 1 86 86 LEU HB3 H 1 1.4080 0.05 . 2 . . . . 86 LEU HB2 . 16083 1 845 . 1 1 86 86 LEU HD11 H 1 0.9920 0.05 . 2 . . . . 86 LEU HD11 . 16083 1 846 . 1 1 86 86 LEU HD12 H 1 0.9920 0.05 . 2 . . . . 86 LEU HD11 . 16083 1 847 . 1 1 86 86 LEU HD13 H 1 0.9920 0.05 . 2 . . . . 86 LEU HD11 . 16083 1 848 . 1 1 86 86 LEU HD21 H 1 0.7970 0.05 . 2 . . . . 86 LEU HD21 . 16083 1 849 . 1 1 86 86 LEU HD22 H 1 0.7970 0.05 . 2 . . . . 86 LEU HD21 . 16083 1 850 . 1 1 86 86 LEU HD23 H 1 0.7970 0.05 . 2 . . . . 86 LEU HD21 . 16083 1 851 . 1 1 86 86 LEU HG H 1 1.9540 0.05 . 1 . . . . 86 LEU HG . 16083 1 852 . 1 1 86 86 LEU C C 13 178.7670 0.30 . 1 . . . . 86 LEU C . 16083 1 853 . 1 1 86 86 LEU CA C 13 48.8920 0.30 . 1 . . . . 86 LEU CA . 16083 1 854 . 1 1 86 86 LEU CB C 13 43.0110 0.30 . 1 . . . . 86 LEU CB . 16083 1 855 . 1 1 86 86 LEU CD1 C 13 23.3220 0.30 . 2 . . . . 86 LEU CD1 . 16083 1 856 . 1 1 86 86 LEU CD2 C 13 27.3980 0.30 . 2 . . . . 86 LEU CD2 . 16083 1 857 . 1 1 86 86 LEU CG C 13 26.5640 0.30 . 1 . . . . 86 LEU CG . 16083 1 858 . 1 1 86 86 LEU N N 15 115.2080 0.50 . 1 . . . . 86 LEU N . 16083 1 859 . 1 1 87 87 ARG H H 1 7.3290 0.05 . 1 . . . . 87 ARG HN . 16083 1 860 . 1 1 87 87 ARG HA H 1 3.8510 0.05 . 1 . . . . 87 ARG HA . 16083 1 861 . 1 1 87 87 ARG HB2 H 1 1.7490 0.05 . 2 . . . . 87 ARG HB1 . 16083 1 862 . 1 1 87 87 ARG HB3 H 1 1.5500 0.05 . 2 . . . . 87 ARG HB2 . 16083 1 863 . 1 1 87 87 ARG HD2 H 1 3.0710 0.05 . 2 . . . . 87 ARG HD1 . 16083 1 864 . 1 1 87 87 ARG HD3 H 1 3.0670 0.05 . 2 . . . . 87 ARG HD2 . 16083 1 865 . 1 1 87 87 ARG HG2 H 1 1.7180 0.05 . 2 . . . . 87 ARG HG1 . 16083 1 866 . 1 1 87 87 ARG HG3 H 1 1.5200 0.05 . 2 . . . . 87 ARG HG2 . 16083 1 867 . 1 1 87 87 ARG C C 13 176.8000 0.30 . 1 . . . . 87 ARG C . 16083 1 868 . 1 1 87 87 ARG CA C 13 58.3150 0.30 . 1 . . . . 87 ARG CA . 16083 1 869 . 1 1 87 87 ARG CB C 13 27.5140 0.30 . 1 . . . . 87 ARG CB . 16083 1 870 . 1 1 87 87 ARG CD C 13 43.2900 0.30 . 1 . . . . 87 ARG CD . 16083 1 871 . 1 1 87 87 ARG CG C 13 30.0290 0.30 . 1 . . . . 87 ARG CG . 16083 1 872 . 1 1 87 87 ARG N N 15 115.2270 0.50 . 1 . . . . 87 ARG N . 16083 1 873 . 1 1 88 88 TYR H H 1 7.2010 0.05 . 1 . . . . 88 TYR HN . 16083 1 874 . 1 1 88 88 TYR HA H 1 4.1930 0.05 . 1 . . . . 88 TYR HA . 16083 1 875 . 1 1 88 88 TYR HB2 H 1 2.5760 0.05 . 2 . . . . 88 TYR HB1 . 16083 1 876 . 1 1 88 88 TYR HB3 H 1 1.5710 0.05 . 2 . . . . 88 TYR HB2 . 16083 1 877 . 1 1 88 88 TYR HD1 H 1 7.0020 0.05 . 3 . . . . 88 TYR HD1 . 16083 1 878 . 1 1 88 88 TYR HD2 H 1 7.0020 0.05 . 3 . . . . 88 TYR HD2 . 16083 1 879 . 1 1 88 88 TYR HE1 H 1 6.1610 0.05 . 3 . . . . 88 TYR HE1 . 16083 1 880 . 1 1 88 88 TYR HE2 H 1 6.1610 0.05 . 3 . . . . 88 TYR HE2 . 16083 1 881 . 1 1 88 88 TYR C C 13 174.9580 0.30 . 1 . . . . 88 TYR C . 16083 1 882 . 1 1 88 88 TYR CA C 13 58.4630 0.30 . 1 . . . . 88 TYR CA . 16083 1 883 . 1 1 88 88 TYR CB C 13 38.4570 0.30 . 1 . . . . 88 TYR CB . 16083 1 884 . 1 1 88 88 TYR N N 15 115.5580 0.50 . 1 . . . . 88 TYR N . 16083 1 885 . 1 1 89 89 ILE H H 1 7.3740 0.05 . 1 . . . . 89 ILE HN . 16083 1 886 . 1 1 89 89 ILE HA H 1 4.1750 0.05 . 1 . . . . 89 ILE HA . 16083 1 887 . 1 1 89 89 ILE HB H 1 1.7420 0.05 . 1 . . . . 89 ILE HB . 16083 1 888 . 1 1 89 89 ILE HD11 H 1 0.8180 0.05 . 1 . . . . 89 ILE HD11 . 16083 1 889 . 1 1 89 89 ILE HD12 H 1 0.8180 0.05 . 1 . . . . 89 ILE HD11 . 16083 1 890 . 1 1 89 89 ILE HD13 H 1 0.8180 0.05 . 1 . . . . 89 ILE HD11 . 16083 1 891 . 1 1 89 89 ILE HG12 H 1 0.9690 0.05 . 2 . . . . 89 ILE HG12 . 16083 1 892 . 1 1 89 89 ILE HG21 H 1 0.9490 0.05 . 1 . . . . 89 ILE HG21 . 16083 1 893 . 1 1 89 89 ILE HG22 H 1 0.9490 0.05 . 1 . . . . 89 ILE HG21 . 16083 1 894 . 1 1 89 89 ILE HG23 H 1 0.9490 0.05 . 1 . . . . 89 ILE HG21 . 16083 1 895 . 1 1 89 89 ILE C C 13 174.9000 0.30 . 1 . . . . 89 ILE C . 16083 1 896 . 1 1 89 89 ILE CA C 13 60.9780 0.30 . 1 . . . . 89 ILE CA . 16083 1 897 . 1 1 89 89 ILE CB C 13 38.9450 0.30 . 1 . . . . 89 ILE CB . 16083 1 898 . 1 1 89 89 ILE CD1 C 13 14.3690 0.30 . 1 . . . . 89 ILE CD1 . 16083 1 899 . 1 1 89 89 ILE CG1 C 13 27.0820 0.30 . 1 . . . . 89 ILE CG1 . 16083 1 900 . 1 1 89 89 ILE CG2 C 13 17.8300 0.30 . 1 . . . . 89 ILE CG2 . 16083 1 901 . 1 1 89 89 ILE N N 15 122.1200 0.50 . 1 . . . . 89 ILE N . 16083 1 902 . 1 1 90 90 GLU H H 1 8.6550 0.05 . 1 . . . . 90 GLU HN . 16083 1 903 . 1 1 90 90 GLU HA H 1 4.1590 0.05 . 1 . . . . 90 GLU HA . 16083 1 904 . 1 1 90 90 GLU HB2 H 1 2.0050 0.05 . 2 . . . . 90 GLU HB1 . 16083 1 905 . 1 1 90 90 GLU CA C 13 57.9140 0.30 . 1 . . . . 90 GLU CA . 16083 1 906 . 1 1 90 90 GLU CB C 13 29.8940 0.30 . 1 . . . . 90 GLU CB . 16083 1 907 . 1 1 90 90 GLU N N 15 128.4170 0.50 . 1 . . . . 90 GLU N . 16083 1 908 . 1 1 91 91 GLY H H 1 9.0890 0.05 . 1 . . . . 91 GLY HN . 16083 1 909 . 1 1 91 91 GLY HA2 H 1 4.2930 0.05 . 2 . . . . 91 GLY HA1 . 16083 1 910 . 1 1 91 91 GLY HA3 H 1 4.0390 0.05 . 2 . . . . 91 GLY HA2 . 16083 1 911 . 1 1 91 91 GLY CA C 13 45.7560 0.30 . 1 . . . . 91 GLY CA . 16083 1 912 . 1 1 91 91 GLY N N 15 112.7600 0.50 . 1 . . . . 91 GLY N . 16083 1 913 . 1 1 93 93 GLU C C 13 176.3150 0.30 . 1 . . . . 93 GLU C . 16083 1 914 . 1 1 94 94 VAL H H 1 8.2880 0.05 . 1 . . . . 94 VAL HN . 16083 1 915 . 1 1 94 94 VAL HA H 1 3.8000 0.05 . 1 . . . . 94 VAL HA . 16083 1 916 . 1 1 94 94 VAL HB H 1 2.0810 0.05 . 1 . . . . 94 VAL HB . 16083 1 917 . 1 1 94 94 VAL HG11 H 1 1.0140 0.05 . 2 . . . . 94 VAL HG11 . 16083 1 918 . 1 1 94 94 VAL HG12 H 1 1.0140 0.05 . 2 . . . . 94 VAL HG11 . 16083 1 919 . 1 1 94 94 VAL HG13 H 1 1.0140 0.05 . 2 . . . . 94 VAL HG11 . 16083 1 920 . 1 1 94 94 VAL C C 13 178.2920 0.30 . 1 . . . . 94 VAL C . 16083 1 921 . 1 1 94 94 VAL CA C 13 56.3740 0.30 . 1 . . . . 94 VAL CA . 16083 1 922 . 1 1 94 94 VAL CB C 13 31.6300 0.30 . 1 . . . . 94 VAL CB . 16083 1 923 . 1 1 94 94 VAL N N 15 119.8370 0.50 . 1 . . . . 94 VAL N . 16083 1 924 . 1 1 95 95 GLU H H 1 8.2070 0.05 . 1 . . . . 95 GLU HN . 16083 1 925 . 1 1 95 95 GLU HA H 1 3.9310 0.05 . 1 . . . . 95 GLU HA . 16083 1 926 . 1 1 95 95 GLU HB2 H 1 2.1100 0.05 . 2 . . . . 95 GLU HB1 . 16083 1 927 . 1 1 95 95 GLU C C 13 179.5140 0.30 . 1 . . . . 95 GLU C . 16083 1 928 . 1 1 95 95 GLU CA C 13 60.2150 0.30 . 1 . . . . 95 GLU CA . 16083 1 929 . 1 1 95 95 GLU CB C 13 29.4190 0.30 . 1 . . . . 95 GLU CB . 16083 1 930 . 1 1 95 95 GLU N N 15 120.8050 0.50 . 1 . . . . 95 GLU N . 16083 1 931 . 1 1 96 96 ALA H H 1 8.8390 0.05 . 1 . . . . 96 ALA HN . 16083 1 932 . 1 1 96 96 ALA HA H 1 4.0290 0.05 . 1 . . . . 96 ALA HA . 16083 1 933 . 1 1 96 96 ALA HB1 H 1 1.4350 0.05 . 1 . . . . 96 ALA HB1 . 16083 1 934 . 1 1 96 96 ALA HB2 H 1 1.4350 0.05 . 1 . . . . 96 ALA HB1 . 16083 1 935 . 1 1 96 96 ALA HB3 H 1 1.4350 0.05 . 1 . . . . 96 ALA HB1 . 16083 1 936 . 1 1 96 96 ALA C C 13 179.0470 0.30 . 1 . . . . 96 ALA C . 16083 1 937 . 1 1 96 96 ALA CA C 13 54.8660 0.30 . 1 . . . . 96 ALA CA . 16083 1 938 . 1 1 96 96 ALA CB C 13 17.6670 0.30 . 1 . . . . 96 ALA CB . 16083 1 939 . 1 1 96 96 ALA N N 15 123.2260 0.50 . 1 . . . . 96 ALA N . 16083 1 940 . 1 1 97 97 GLU H H 1 7.7630 0.05 . 1 . . . . 97 GLU HN . 16083 1 941 . 1 1 97 97 GLU HA H 1 4.0550 0.05 . 1 . . . . 97 GLU HA . 16083 1 942 . 1 1 97 97 GLU HB2 H 1 2.1340 0.05 . 2 . . . . 97 GLU HB1 . 16083 1 943 . 1 1 97 97 GLU C C 13 178.0150 0.30 . 1 . . . . 97 GLU C . 16083 1 944 . 1 1 97 97 GLU CA C 13 59.1380 0.30 . 1 . . . . 97 GLU CA . 16083 1 945 . 1 1 97 97 GLU CB C 13 29.5880 0.30 . 1 . . . . 97 GLU CB . 16083 1 946 . 1 1 97 97 GLU N N 15 118.6060 0.50 . 1 . . . . 97 GLU N . 16083 1 947 . 1 1 98 98 ILE H H 1 8.1180 0.05 . 1 . . . . 98 ILE HN . 16083 1 948 . 1 1 98 98 ILE HA H 1 3.6570 0.05 . 1 . . . . 98 ILE HA . 16083 1 949 . 1 1 98 98 ILE HB H 1 1.8770 0.05 . 1 . . . . 98 ILE HB . 16083 1 950 . 1 1 98 98 ILE HD11 H 1 0.8010 0.05 . 1 . . . . 98 ILE HD11 . 16083 1 951 . 1 1 98 98 ILE HD12 H 1 0.8010 0.05 . 1 . . . . 98 ILE HD11 . 16083 1 952 . 1 1 98 98 ILE HD13 H 1 0.8010 0.05 . 1 . . . . 98 ILE HD11 . 16083 1 953 . 1 1 98 98 ILE HG12 H 1 1.7570 0.05 . 2 . . . . 98 ILE HG11 . 16083 1 954 . 1 1 98 98 ILE HG13 H 1 1.0420 0.05 . 2 . . . . 98 ILE HG12 . 16083 1 955 . 1 1 98 98 ILE HG21 H 1 0.8110 0.05 . 1 . . . . 98 ILE HG21 . 16083 1 956 . 1 1 98 98 ILE HG22 H 1 0.8110 0.05 . 1 . . . . 98 ILE HG21 . 16083 1 957 . 1 1 98 98 ILE HG23 H 1 0.8110 0.05 . 1 . . . . 98 ILE HG21 . 16083 1 958 . 1 1 98 98 ILE C C 13 178.0150 0.30 . 1 . . . . 98 ILE C . 16083 1 959 . 1 1 98 98 ILE CA C 13 64.8310 0.30 . 1 . . . . 98 ILE CA . 16083 1 960 . 1 1 98 98 ILE CB C 13 38.4020 0.30 . 1 . . . . 98 ILE CB . 16083 1 961 . 1 1 98 98 ILE CD1 C 13 13.4450 0.30 . 1 . . . . 98 ILE CD1 . 16083 1 962 . 1 1 98 98 ILE CG1 C 13 29.2640 0.30 . 1 . . . . 98 ILE CG1 . 16083 1 963 . 1 1 98 98 ILE CG2 C 13 16.7200 0.30 . 1 . . . . 98 ILE CG2 . 16083 1 964 . 1 1 98 98 ILE N N 15 122.3390 0.50 . 1 . . . . 98 ILE N . 16083 1 965 . 1 1 99 99 ALA H H 1 8.1170 0.05 . 1 . . . . 99 ALA HN . 16083 1 966 . 1 1 99 99 ALA HA H 1 4.2100 0.05 . 1 . . . . 99 ALA HA . 16083 1 967 . 1 1 99 99 ALA HB1 H 1 1.7220 0.05 . 1 . . . . 99 ALA HB1 . 16083 1 968 . 1 1 99 99 ALA HB2 H 1 1.7220 0.05 . 1 . . . . 99 ALA HB1 . 16083 1 969 . 1 1 99 99 ALA HB3 H 1 1.7220 0.05 . 1 . . . . 99 ALA HB1 . 16083 1 970 . 1 1 99 99 ALA C C 13 178.7620 0.30 . 1 . . . . 99 ALA C . 16083 1 971 . 1 1 99 99 ALA CA C 13 55.3600 0.30 . 1 . . . . 99 ALA CA . 16083 1 972 . 1 1 99 99 ALA CB C 13 17.4990 0.30 . 1 . . . . 99 ALA CB . 16083 1 973 . 1 1 99 99 ALA N N 15 122.3570 0.50 . 1 . . . . 99 ALA N . 16083 1 974 . 1 1 100 100 GLU H H 1 8.3450 0.05 . 1 . . . . 100 GLU HN . 16083 1 975 . 1 1 100 100 GLU HA H 1 3.7870 0.05 . 1 . . . . 100 GLU HA . 16083 1 976 . 1 1 100 100 GLU HB2 H 1 2.0910 0.05 . 2 . . . . 100 GLU HB1 . 16083 1 977 . 1 1 100 100 GLU HB3 H 1 2.0210 0.05 . 2 . . . . 100 GLU HB2 . 16083 1 978 . 1 1 100 100 GLU C C 13 178.4630 0.30 . 1 . . . . 100 GLU C . 16083 1 979 . 1 1 100 100 GLU CA C 13 59.0630 0.30 . 1 . . . . 100 GLU CA . 16083 1 980 . 1 1 100 100 GLU CB C 13 29.6700 0.30 . 1 . . . . 100 GLU CB . 16083 1 981 . 1 1 100 100 GLU N N 15 118.3910 0.50 . 1 . . . . 100 GLU N . 16083 1 982 . 1 1 101 101 ALA H H 1 7.6930 0.05 . 1 . . . . 101 ALA HN . 16083 1 983 . 1 1 101 101 ALA HA H 1 4.1110 0.05 . 1 . . . . 101 ALA HA . 16083 1 984 . 1 1 101 101 ALA HB1 H 1 1.4420 0.05 . 1 . . . . 101 ALA HB1 . 16083 1 985 . 1 1 101 101 ALA HB2 H 1 1.4420 0.05 . 1 . . . . 101 ALA HB1 . 16083 1 986 . 1 1 101 101 ALA HB3 H 1 1.4420 0.05 . 1 . . . . 101 ALA HB1 . 16083 1 987 . 1 1 101 101 ALA C C 13 180.9670 0.30 . 1 . . . . 101 ALA C . 16083 1 988 . 1 1 101 101 ALA CA C 13 54.3830 0.30 . 1 . . . . 101 ALA CA . 16083 1 989 . 1 1 101 101 ALA CB C 13 18.0970 0.30 . 1 . . . . 101 ALA CB . 16083 1 990 . 1 1 101 101 ALA N N 15 120.6990 0.50 . 1 . . . . 101 ALA N . 16083 1 991 . 1 1 102 102 ARG H H 1 7.9590 0.05 . 1 . . . . 102 ARG HN . 16083 1 992 . 1 1 102 102 ARG HA H 1 3.7050 0.05 . 1 . . . . 102 ARG HA . 16083 1 993 . 1 1 102 102 ARG C C 13 178.3100 0.30 . 1 . . . . 102 ARG C . 16083 1 994 . 1 1 102 102 ARG CA C 13 57.6960 0.30 . 1 . . . . 102 ARG CA . 16083 1 995 . 1 1 102 102 ARG CB C 13 28.4040 0.30 . 1 . . . . 102 ARG CB . 16083 1 996 . 1 1 102 102 ARG N N 15 118.3860 0.50 . 1 . . . . 102 ARG N . 16083 1 997 . 1 1 103 103 ALA H H 1 7.8960 0.05 . 1 . . . . 103 ALA HN . 16083 1 998 . 1 1 103 103 ALA HA H 1 4.1080 0.05 . 1 . . . . 103 ALA HA . 16083 1 999 . 1 1 103 103 ALA HB1 H 1 1.4710 0.05 . 1 . . . . 103 ALA HB1 . 16083 1 1000 . 1 1 103 103 ALA HB2 H 1 1.4710 0.05 . 1 . . . . 103 ALA HB1 . 16083 1 1001 . 1 1 103 103 ALA HB3 H 1 1.4710 0.05 . 1 . . . . 103 ALA HB1 . 16083 1 1002 . 1 1 103 103 ALA C C 13 178.1840 0.30 . 1 . . . . 103 ALA C . 16083 1 1003 . 1 1 103 103 ALA CA C 13 54.2100 0.30 . 1 . . . . 103 ALA CA . 16083 1 1004 . 1 1 103 103 ALA CB C 13 18.4300 0.30 . 1 . . . . 103 ALA CB . 16083 1 1005 . 1 1 103 103 ALA N N 15 120.6300 0.50 . 1 . . . . 103 ALA N . 16083 1 1006 . 1 1 104 104 LYS H H 1 7.3370 0.05 . 1 . . . . 104 LYS HN . 16083 1 1007 . 1 1 104 104 LYS HA H 1 4.1500 0.05 . 1 . . . . 104 LYS HA . 16083 1 1008 . 1 1 104 104 LYS HB2 H 1 1.7260 0.05 . 2 . . . . 104 LYS HB1 . 16083 1 1009 . 1 1 104 104 LYS HB3 H 1 1.6420 0.05 . 2 . . . . 104 LYS HB2 . 16083 1 1010 . 1 1 104 104 LYS HE2 H 1 2.8810 0.05 . 2 . . . . 104 LYS HE1 . 16083 1 1011 . 1 1 104 104 LYS HG2 H 1 1.3340 0.05 . 2 . . . . 104 LYS HG1 . 16083 1 1012 . 1 1 104 104 LYS HG3 H 1 1.3270 0.05 . 2 . . . . 104 LYS HG2 . 16083 1 1013 . 1 1 104 104 LYS C C 13 177.2110 0.30 . 1 . . . . 104 LYS C . 16083 1 1014 . 1 1 104 104 LYS CA C 13 56.4290 0.30 . 1 . . . . 104 LYS CA . 16083 1 1015 . 1 1 104 104 LYS CB C 13 32.8100 0.30 . 1 . . . . 104 LYS CB . 16083 1 1016 . 1 1 104 104 LYS CE C 13 42.1190 0.30 . 1 . . . . 104 LYS CE . 16083 1 1017 . 1 1 104 104 LYS CG C 13 24.8610 0.30 . 1 . . . . 104 LYS CG . 16083 1 1018 . 1 1 104 104 LYS N N 15 115.2880 0.50 . 1 . . . . 104 LYS N . 16083 1 1019 . 1 1 105 105 LEU H H 1 7.5110 0.05 . 1 . . . . 105 LEU HN . 16083 1 1020 . 1 1 105 105 LEU HA H 1 4.1620 0.05 . 1 . . . . 105 LEU HA . 16083 1 1021 . 1 1 105 105 LEU HB2 H 1 1.6590 0.05 . 2 . . . . 105 LEU HB1 . 16083 1 1022 . 1 1 105 105 LEU HB3 H 1 1.5310 0.05 . 2 . . . . 105 LEU HB2 . 16083 1 1023 . 1 1 105 105 LEU HD11 H 1 0.8330 0.05 . 2 . . . . 105 LEU HD11 . 16083 1 1024 . 1 1 105 105 LEU HD12 H 1 0.8330 0.05 . 2 . . . . 105 LEU HD11 . 16083 1 1025 . 1 1 105 105 LEU HD13 H 1 0.8330 0.05 . 2 . . . . 105 LEU HD11 . 16083 1 1026 . 1 1 105 105 LEU HD21 H 1 0.8190 0.05 . 2 . . . . 105 LEU HD21 . 16083 1 1027 . 1 1 105 105 LEU HD22 H 1 0.8190 0.05 . 2 . . . . 105 LEU HD21 . 16083 1 1028 . 1 1 105 105 LEU HD23 H 1 0.8190 0.05 . 2 . . . . 105 LEU HD21 . 16083 1 1029 . 1 1 105 105 LEU HG H 1 1.6360 0.05 . 1 . . . . 105 LEU HG . 16083 1 1030 . 1 1 105 105 LEU C C 13 177.2600 0.30 . 1 . . . . 105 LEU C . 16083 1 1031 . 1 1 105 105 LEU CA C 13 56.2270 0.30 . 1 . . . . 105 LEU CA . 16083 1 1032 . 1 1 105 105 LEU CB C 13 42.3650 0.30 . 1 . . . . 105 LEU CB . 16083 1 1033 . 1 1 105 105 LEU CD1 C 13 24.8510 0.30 . 2 . . . . 105 LEU CD1 . 16083 1 1034 . 1 1 105 105 LEU CD2 C 13 23.7700 0.30 . 2 . . . . 105 LEU CD2 . 16083 1 1035 . 1 1 105 105 LEU CG C 13 26.5850 0.30 . 1 . . . . 105 LEU CG . 16083 1 1036 . 1 1 105 105 LEU N N 15 120.9380 0.50 . 1 . . . . 105 LEU N . 16083 1 1037 . 1 1 106 106 GLU H H 1 8.2830 0.05 . 1 . . . . 106 GLU HN . 16083 1 1038 . 1 1 106 106 GLU HA H 1 4.1670 0.05 . 1 . . . . 106 GLU HA . 16083 1 1039 . 1 1 106 106 GLU HB2 H 1 1.6590 0.05 . 2 . . . . 106 GLU HB1 . 16083 1 1040 . 1 1 106 106 GLU HB3 H 1 1.5330 0.05 . 2 . . . . 106 GLU HB2 . 16083 1 1041 . 1 1 106 106 GLU C C 13 173.8770 0.30 . 1 . . . . 106 GLU C . 16083 1 1042 . 1 1 106 106 GLU CA C 13 55.8620 0.30 . 1 . . . . 106 GLU CA . 16083 1 1043 . 1 1 106 106 GLU CB C 13 30.2890 0.30 . 1 . . . . 106 GLU CB . 16083 1 1044 . 1 1 106 106 GLU N N 15 121.0040 0.50 . 1 . . . . 106 GLU N . 16083 1 1045 . 1 1 107 107 HIS H H 1 8.1280 0.05 . 1 . . . . 107 HIS HN . 16083 1 1046 . 1 1 107 107 HIS CA C 13 57.2580 0.30 . 1 . . . . 107 HIS CA . 16083 1 1047 . 1 1 107 107 HIS CB C 13 30.2520 0.30 . 1 . . . . 107 HIS CB . 16083 1 1048 . 1 1 107 107 HIS N N 15 125.2900 0.50 . 1 . . . . 107 HIS N . 16083 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16083 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 2 _RDC_list.Sample_condition_list_label $sample_conditions2 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 7 '2D 1H-15N HSQC' . . . 16083 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 7 7 GLU H H 1 . . 1 1 7 7 GLU N N 15 . -11.53 . . 1.5 . . . . . . . . . . . 16083 1 2 DHN . 1 1 8 8 GLU H H 1 . . 1 1 8 8 GLU N N 15 . 6.432 . . 1.5 . . . . . . . . . . . 16083 1 3 DHN . 1 1 9 9 TYR H H 1 . . 1 1 9 9 TYR N N 15 . 5.92 . . 1.5 . . . . . . . . . . . 16083 1 4 DHN . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU N N 15 . -8.75 . . 1.5 . . . . . . . . . . . 16083 1 5 DHN . 1 1 13 13 GLY H H 1 . . 1 1 13 13 GLY N N 15 . -0.322 . . 1.5 . . . . . . . . . . . 16083 1 6 DHN . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL N N 15 . -8.888 . . 1.5 . . . . . . . . . . . 16083 1 7 DHN . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU N N 15 . -6.292 . . 1.5 . . . . . . . . . . . 16083 1 8 DHN . 1 1 16 16 GLN H H 1 . . 1 1 16 16 GLN N N 15 . 3.73 . . 1.5 . . . . . . . . . . . 16083 1 9 DHN . 1 1 17 17 TYR H H 1 . . 1 1 17 17 TYR N N 15 . -6.094 . . 1.5 . . . . . . . . . . . 16083 1 10 DHN . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN N N 15 . -2.688 . . 1.5 . . . . . . . . . . . 16083 1 11 DHN . 1 1 22 22 TYR H H 1 . . 1 1 22 22 TYR N N 15 . -3.446 . . 1.5 . . . . . . . . . . . 16083 1 12 DHN . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR N N 15 . 1.706 . . 1.5 . . . . . . . . . . . 16083 1 13 DHN . 1 1 24 24 GLU H H 1 . . 1 1 24 24 GLU N N 15 . 8.426 . . 1.5 . . . . . . . . . . . 16083 1 14 DHN . 1 1 25 25 SER H H 1 . . 1 1 25 25 SER N N 15 . -3.696 . . 1.5 . . . . . . . . . . . 16083 1 15 DHN . 1 1 26 26 ILE H H 1 . . 1 1 26 26 ILE N N 15 . -4.398 . . 1.5 . . . . . . . . . . . 16083 1 16 DHN . 1 1 27 27 ASP H H 1 . . 1 1 27 27 ASP N N 15 . 4.718 . . 1.5 . . . . . . . . . . . 16083 1 17 DHN . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU N N 15 . 0.78 . . 1.5 . . . . . . . . . . . 16083 1 18 DHN . 1 1 29 29 PHE H H 1 . . 1 1 29 29 PHE N N 15 . -5.28 . . 1.5 . . . . . . . . . . . 16083 1 19 DHN . 1 1 30 30 GLU H H 1 . . 1 1 30 30 GLU N N 15 . 0.042 . . 1.5 . . . . . . . . . . . 16083 1 20 DHN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . 9.422 . . 1.5 . . . . . . . . . . . 16083 1 21 DHN . 1 1 32 32 ALA H H 1 . . 1 1 32 32 ALA N N 15 . -0.982 . . 1.5 . . . . . . . . . . . 16083 1 22 DHN . 1 1 34 34 GLN H H 1 . . 1 1 34 34 GLN N N 15 . 5.488 . . 1.5 . . . . . . . . . . . 16083 1 23 DHN . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU N N 15 . 9.64 . . 1.5 . . . . . . . . . . . 16083 1 24 DHN . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP N N 15 . -2.548 . . 1.5 . . . . . . . . . . . 16083 1 25 DHN . 1 1 40 40 SER H H 1 . . 1 1 40 40 SER N N 15 . -0.346 . . 1.5 . . . . . . . . . . . 16083 1 26 DHN . 1 1 41 41 LYS H H 1 . . 1 1 41 41 LYS N N 15 . -7.332 . . 1.5 . . . . . . . . . . . 16083 1 27 DHN . 1 1 42 42 TYR H H 1 . . 1 1 42 42 TYR N N 15 . 1.474 . . 1.5 . . . . . . . . . . . 16083 1 28 DHN . 1 1 43 43 TRP H H 1 . . 1 1 43 43 TRP N N 15 . -2.396 . . 1.5 . . . . . . . . . . . 16083 1 29 DHN . 1 1 44 44 LEU H H 1 . . 1 1 44 44 LEU N N 15 . -9.358 . . 1.5 . . . . . . . . . . . 16083 1 30 DHN . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY N N 15 . -4.644 . . 1.5 . . . . . . . . . . . 16083 1 31 DHN . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS N N 15 . -10.396 . . 1.5 . . . . . . . . . . . 16083 1 32 DHN . 1 1 49 49 ALA H H 1 . . 1 1 49 49 ALA N N 15 . -6.542 . . 1.5 . . . . . . . . . . . 16083 1 33 DHN . 1 1 50 50 LEU H H 1 . . 1 1 50 50 LEU N N 15 . -4.436 . . 1.5 . . . . . . . . . . . 16083 1 34 DHN . 1 1 51 51 TYR H H 1 . . 1 1 51 51 TYR N N 15 . -8.426 . . 1.5 . . . . . . . . . . . 16083 1 35 DHN . 1 1 52 52 ASN H H 1 . . 1 1 52 52 ASN N N 15 . -13.266 . . 1.5 . . . . . . . . . . . 16083 1 36 DHN . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU N N 15 . -0.8 . . 1.5 . . . . . . . . . . . 16083 1 37 DHN . 1 1 55 55 ARG H H 1 . . 1 1 55 55 ARG N N 15 . -0.962 . . 1.5 . . . . . . . . . . . 16083 1 38 DHN . 1 1 56 56 TYR H H 1 . . 1 1 56 56 TYR N N 15 . -6.748 . . 1.5 . . . . . . . . . . . 16083 1 39 DHN . 1 1 57 57 GLU H H 1 . . 1 1 57 57 GLU N N 15 . -1.558 . . 1.5 . . . . . . . . . . . 16083 1 40 DHN . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU N N 15 . -0.73 . . 1.5 . . . . . . . . . . . 16083 1 41 DHN . 1 1 59 59 ALA H H 1 . . 1 1 59 59 ALA N N 15 . -8.12 . . 1.5 . . . . . . . . . . . 16083 1 42 DHN . 1 1 60 60 VAL H H 1 . . 1 1 60 60 VAL N N 15 . -6.862 . . 1.5 . . . . . . . . . . . 16083 1 43 DHN . 1 1 61 61 ASP H H 1 . . 1 1 61 61 ASP N N 15 . -1.132 . . 1.5 . . . . . . . . . . . 16083 1 44 DHN . 1 1 62 62 CYS H H 1 . . 1 1 62 62 CYS N N 15 . -1.29 . . 1.5 . . . . . . . . . . . 16083 1 45 DHN . 1 1 63 63 TYR H H 1 . . 1 1 63 63 TYR N N 15 . -6.542 . . 1.5 . . . . . . . . . . . 16083 1 46 DHN . 1 1 64 64 ASN H H 1 . . 1 1 64 64 ASN N N 15 . -1.492 . . 1.5 . . . . . . . . . . . 16083 1 47 DHN . 1 1 65 65 TYR H H 1 . . 1 1 65 65 TYR N N 15 . 2.614 . . 1.5 . . . . . . . . . . . 16083 1 48 DHN . 1 1 66 66 VAL H H 1 . . 1 1 66 66 VAL N N 15 . -1.364 . . 1.5 . . . . . . . . . . . 16083 1 49 DHN . 1 1 67 67 ILE H H 1 . . 1 1 67 67 ILE N N 15 . -2.616 . . 1.5 . . . . . . . . . . . 16083 1 50 DHN . 1 1 68 68 ASN H H 1 . . 1 1 68 68 ASN N N 15 . 1.232 . . 1.5 . . . . . . . . . . . 16083 1 51 DHN . 1 1 70 70 ILE H H 1 . . 1 1 70 70 ILE N N 15 . -2.686 . . 1.5 . . . . . . . . . . . 16083 1 52 DHN . 1 1 75 75 ASN H H 1 . . 1 1 75 75 ASN N N 15 . 16.666 . . 1.5 . . . . . . . . . . . 16083 1 53 DHN . 1 1 76 76 LYS H H 1 . . 1 1 76 76 LYS N N 15 . -3.222 . . 1.5 . . . . . . . . . . . 16083 1 54 DHN . 1 1 77 77 ASP H H 1 . . 1 1 77 77 ASP N N 15 . -12.572 . . 1.5 . . . . . . . . . . . 16083 1 55 DHN . 1 1 78 78 VAL H H 1 . . 1 1 78 78 VAL N N 15 . -5.218 . . 1.5 . . . . . . . . . . . 16083 1 56 DHN . 1 1 79 79 TRP H H 1 . . 1 1 79 79 TRP N N 15 . -2.614 . . 1.5 . . . . . . . . . . . 16083 1 57 DHN . 1 1 80 80 ALA H H 1 . . 1 1 80 80 ALA N N 15 . -10.072 . . 1.5 . . . . . . . . . . . 16083 1 58 DHN . 1 1 81 81 ALA H H 1 . . 1 1 81 81 ALA N N 15 . -11.124 . . 1.5 . . . . . . . . . . . 16083 1 59 DHN . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS N N 15 . -4.276 . . 1.5 . . . . . . . . . . . 16083 1 60 DHN . 1 1 83 83 ALA H H 1 . . 1 1 83 83 ALA N N 15 . -2.87 . . 1.5 . . . . . . . . . . . 16083 1 61 DHN . 1 1 84 84 ASP H H 1 . . 1 1 84 84 ASP N N 15 . -12.32 . . 1.5 . . . . . . . . . . . 16083 1 62 DHN . 1 1 86 86 LEU H H 1 . . 1 1 86 86 LEU N N 15 . -2.146 . . 1.5 . . . . . . . . . . . 16083 1 63 DHN . 1 1 95 95 GLU H H 1 . . 1 1 95 95 GLU N N 15 . 3.446 . . 1.5 . . . . . . . . . . . 16083 1 64 DHN . 1 1 96 96 ALA H H 1 . . 1 1 96 96 ALA N N 15 . -2.958 . . 1.5 . . . . . . . . . . . 16083 1 65 DHN . 1 1 97 97 GLU H H 1 . . 1 1 97 97 GLU N N 15 . 2.242 . . 1.5 . . . . . . . . . . . 16083 1 66 DHN . 1 1 99 99 ALA H H 1 . . 1 1 99 99 ALA N N 15 . -0.244 . . 1.5 . . . . . . . . . . . 16083 1 67 DHN . 1 1 100 100 GLU H H 1 . . 1 1 100 100 GLU N N 15 . -4.932 . . 1.5 . . . . . . . . . . . 16083 1 68 DHN . 1 1 101 101 ALA H H 1 . . 1 1 101 101 ALA N N 15 . 4.942 . . 1.5 . . . . . . . . . . . 16083 1 69 DHN . 1 1 102 102 ARG H H 1 . . 1 1 102 102 ARG N N 15 . 4.342 . . 1.5 . . . . . . . . . . . 16083 1 70 DHN . 1 1 103 103 ALA H H 1 . . 1 1 103 103 ALA N N 15 . -6.834 . . 1.5 . . . . . . . . . . . 16083 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 16083 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 3 _RDC_list.Sample_condition_list_label $sample_conditions3 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 8 '2D 1H-15N HSQC' . . . 16083 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 7 7 GLU H H 1 . . 1 1 7 7 GLU N N 15 . -12.342 . . 1.5 . . . . . . . . . . . 16083 2 2 DHN . 1 1 8 8 GLU H H 1 . . 1 1 8 8 GLU N N 15 . -3.056 . . 1.5 . . . . . . . . . . . 16083 2 3 DHN . 1 1 9 9 TYR H H 1 . . 1 1 9 9 TYR N N 15 . -5.89 . . 1.5 . . . . . . . . . . . 16083 2 4 DHN . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU N N 15 . -11.79 . . 1.5 . . . . . . . . . . . 16083 2 5 DHN . 1 1 13 13 GLY H H 1 . . 1 1 13 13 GLY N N 15 . -7.82 . . 1.5 . . . . . . . . . . . 16083 2 6 DHN . 1 1 14 14 VAL H H 1 . . 1 1 14 14 VAL N N 15 . -11.768 . . 1.5 . . . . . . . . . . . 16083 2 7 DHN . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU N N 15 . -10.426 . . 1.5 . . . . . . . . . . . 16083 2 8 DHN . 1 1 16 16 GLN H H 1 . . 1 1 16 16 GLN N N 15 . -6.67 . . 1.5 . . . . . . . . . . . 16083 2 9 DHN . 1 1 17 17 TYR H H 1 . . 1 1 17 17 TYR N N 15 . -9.222 . . 1.5 . . . . . . . . . . . 16083 2 10 DHN . 1 1 18 18 ASP H H 1 . . 1 1 18 18 ASP N N 15 . -13.346 . . 1.5 . . . . . . . . . . . 16083 2 11 DHN . 1 1 21 21 ASN H H 1 . . 1 1 21 21 ASN N N 15 . 1.464 . . 1.5 . . . . . . . . . . . 16083 2 12 DHN . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR N N 15 . -6.382 . . 1.5 . . . . . . . . . . . 16083 2 13 DHN . 1 1 24 24 GLU H H 1 . . 1 1 24 24 GLU N N 15 . -4.79 . . 1.5 . . . . . . . . . . . 16083 2 14 DHN . 1 1 25 25 SER H H 1 . . 1 1 25 25 SER N N 15 . -9.636 . . 1.5 . . . . . . . . . . . 16083 2 15 DHN . 1 1 26 26 ILE H H 1 . . 1 1 26 26 ILE N N 15 . -7.18 . . 1.5 . . . . . . . . . . . 16083 2 16 DHN . 1 1 27 27 ASP H H 1 . . 1 1 27 27 ASP N N 15 . -5.612 . . 1.5 . . . . . . . . . . . 16083 2 17 DHN . 1 1 28 28 LEU H H 1 . . 1 1 28 28 LEU N N 15 . -7.06 . . 1.5 . . . . . . . . . . . 16083 2 18 DHN . 1 1 29 29 PHE H H 1 . . 1 1 29 29 PHE N N 15 . -9.4 . . 1.5 . . . . . . . . . . . 16083 2 19 DHN . 1 1 30 30 GLU H H 1 . . 1 1 30 30 GLU N N 15 . -3.238 . . 1.5 . . . . . . . . . . . 16083 2 20 DHN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . -5.402 . . 1.5 . . . . . . . . . . . 16083 2 21 DHN . 1 1 32 32 ALA H H 1 . . 1 1 32 32 ALA N N 15 . -8.734 . . 1.5 . . . . . . . . . . . 16083 2 22 DHN . 1 1 34 34 GLN H H 1 . . 1 1 34 34 GLN N N 15 . -4.216 . . 1.5 . . . . . . . . . . . 16083 2 23 DHN . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU N N 15 . -4.008 . . 1.5 . . . . . . . . . . . 16083 2 24 DHN . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP N N 15 . -7.306 . . 1.5 . . . . . . . . . . . 16083 2 25 DHN . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU N N 15 . 16.642 . . 1.5 . . . . . . . . . . . 16083 2 26 DHN . 1 1 40 40 SER H H 1 . . 1 1 40 40 SER N N 15 . 5.938 . . 1.5 . . . . . . . . . . . 16083 2 27 DHN . 1 1 41 41 LYS H H 1 . . 1 1 41 41 LYS N N 15 . -5.054 . . 1.5 . . . . . . . . . . . 16083 2 28 DHN . 1 1 42 42 TYR H H 1 . . 1 1 42 42 TYR N N 15 . -6.178 . . 1.5 . . . . . . . . . . . 16083 2 29 DHN . 1 1 43 43 TRP H H 1 . . 1 1 43 43 TRP N N 15 . 3.106 . . 1.5 . . . . . . . . . . . 16083 2 30 DHN . 1 1 44 44 LEU H H 1 . . 1 1 44 44 LEU N N 15 . -6.734 . . 1.5 . . . . . . . . . . . 16083 2 31 DHN . 1 1 45 45 MET H H 1 . . 1 1 45 45 MET N N 15 . -18.182 . . 1.5 . . . . . . . . . . . 16083 2 32 DHN . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY N N 15 . -1.41 . . 1.5 . . . . . . . . . . . 16083 2 33 DHN . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS N N 15 . -7.626 . . 1.5 . . . . . . . . . . . 16083 2 34 DHN . 1 1 49 49 ALA H H 1 . . 1 1 49 49 ALA N N 15 . -10.306 . . 1.5 . . . . . . . . . . . 16083 2 35 DHN . 1 1 50 50 LEU H H 1 . . 1 1 50 50 LEU N N 15 . -3.962 . . 1.5 . . . . . . . . . . . 16083 2 36 DHN . 1 1 51 51 TYR H H 1 . . 1 1 51 51 TYR N N 15 . -4.388 . . 1.5 . . . . . . . . . . . 16083 2 37 DHN . 1 1 52 52 ASN H H 1 . . 1 1 52 52 ASN N N 15 . -12.952 . . 1.5 . . . . . . . . . . . 16083 2 38 DHN . 1 1 53 53 LEU H H 1 . . 1 1 53 53 LEU N N 15 . -5.872 . . 1.5 . . . . . . . . . . . 16083 2 39 DHN . 1 1 54 54 GLU H H 1 . . 1 1 54 54 GLU N N 15 . 20.458 . . 1.5 . . . . . . . . . . . 16083 2 40 DHN . 1 1 55 55 ARG H H 1 . . 1 1 55 55 ARG N N 15 . -5.232 . . 1.5 . . . . . . . . . . . 16083 2 41 DHN . 1 1 56 56 TYR H H 1 . . 1 1 56 56 TYR N N 15 . -7.924 . . 1.5 . . . . . . . . . . . 16083 2 42 DHN . 1 1 57 57 GLU H H 1 . . 1 1 57 57 GLU N N 15 . 4.284 . . 1.5 . . . . . . . . . . . 16083 2 43 DHN . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU N N 15 . -2.45 . . 1.5 . . . . . . . . . . . 16083 2 44 DHN . 1 1 59 59 ALA H H 1 . . 1 1 59 59 ALA N N 15 . -8.79 . . 1.5 . . . . . . . . . . . 16083 2 45 DHN . 1 1 60 60 VAL H H 1 . . 1 1 60 60 VAL N N 15 . -4.034 . . 1.5 . . . . . . . . . . . 16083 2 46 DHN . 1 1 61 61 ASP H H 1 . . 1 1 61 61 ASP N N 15 . 3.48 . . 1.5 . . . . . . . . . . . 16083 2 47 DHN . 1 1 62 62 CYS H H 1 . . 1 1 62 62 CYS N N 15 . -7.184 . . 1.5 . . . . . . . . . . . 16083 2 48 DHN . 1 1 63 63 TYR H H 1 . . 1 1 63 63 TYR N N 15 . -6.798 . . 1.5 . . . . . . . . . . . 16083 2 49 DHN . 1 1 64 64 ASN H H 1 . . 1 1 64 64 ASN N N 15 . 3.306 . . 1.5 . . . . . . . . . . . 16083 2 50 DHN . 1 1 65 65 TYR H H 1 . . 1 1 65 65 TYR N N 15 . -0.28 . . 1.5 . . . . . . . . . . . 16083 2 51 DHN . 1 1 66 66 VAL H H 1 . . 1 1 66 66 VAL N N 15 . -6.606 . . 1.5 . . . . . . . . . . . 16083 2 52 DHN . 1 1 67 67 ILE H H 1 . . 1 1 67 67 ILE N N 15 . -1.392 . . 1.5 . . . . . . . . . . . 16083 2 53 DHN . 1 1 68 68 ASN H H 1 . . 1 1 68 68 ASN N N 15 . 3.6 . . 1.5 . . . . . . . . . . . 16083 2 54 DHN . 1 1 70 70 ILE H H 1 . . 1 1 70 70 ILE N N 15 . -6.906 . . 1.5 . . . . . . . . . . . 16083 2 55 DHN . 1 1 75 75 ASN H H 1 . . 1 1 75 75 ASN N N 15 . 8.188 . . 1.5 . . . . . . . . . . . 16083 2 56 DHN . 1 1 76 76 LYS H H 1 . . 1 1 76 76 LYS N N 15 . 0.802 . . 1.5 . . . . . . . . . . . 16083 2 57 DHN . 1 1 77 77 ASP H H 1 . . 1 1 77 77 ASP N N 15 . -11.776 . . 1.5 . . . . . . . . . . . 16083 2 58 DHN . 1 1 78 78 VAL H H 1 . . 1 1 78 78 VAL N N 15 . -1.102 . . 1.5 . . . . . . . . . . . 16083 2 59 DHN . 1 1 79 79 TRP H H 1 . . 1 1 79 79 TRP N N 15 . 3.1 . . 1.5 . . . . . . . . . . . 16083 2 60 DHN . 1 1 80 80 ALA H H 1 . . 1 1 80 80 ALA N N 15 . -7.336 . . 1.5 . . . . . . . . . . . 16083 2 61 DHN . 1 1 81 81 ALA H H 1 . . 1 1 81 81 ALA N N 15 . -10.702 . . 1.5 . . . . . . . . . . . 16083 2 62 DHN . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS N N 15 . -0.246 . . 1.5 . . . . . . . . . . . 16083 2 63 DHN . 1 1 83 83 ALA H H 1 . . 1 1 83 83 ALA N N 15 . 0.778 . . 1.5 . . . . . . . . . . . 16083 2 64 DHN . 1 1 84 84 ASP H H 1 . . 1 1 84 84 ASP N N 15 . -10.404 . . 1.5 . . . . . . . . . . . 16083 2 65 DHN . 1 1 86 86 LEU H H 1 . . 1 1 86 86 LEU N N 15 . 3.59 . . 1.5 . . . . . . . . . . . 16083 2 66 DHN . 1 1 95 95 GLU H H 1 . . 1 1 95 95 GLU N N 15 . 9.954 . . 1.5 . . . . . . . . . . . 16083 2 67 DHN . 1 1 96 96 ALA H H 1 . . 1 1 96 96 ALA N N 15 . -0.42 . . 1.5 . . . . . . . . . . . 16083 2 68 DHN . 1 1 97 97 GLU H H 1 . . 1 1 97 97 GLU N N 15 . -0.324 . . 1.5 . . . . . . . . . . . 16083 2 69 DHN . 1 1 98 98 ILE H H 1 . . 1 1 98 98 ILE N N 15 . 10.062 . . 1.5 . . . . . . . . . . . 16083 2 70 DHN . 1 1 99 99 ALA H H 1 . . 1 1 99 99 ALA N N 15 . 5.132 . . 1.5 . . . . . . . . . . . 16083 2 71 DHN . 1 1 100 100 GLU H H 1 . . 1 1 100 100 GLU N N 15 . -3.344 . . 1.5 . . . . . . . . . . . 16083 2 72 DHN . 1 1 101 101 ALA H H 1 . . 1 1 101 101 ALA N N 15 . 2.704 . . 1.5 . . . . . . . . . . . 16083 2 73 DHN . 1 1 102 102 ARG H H 1 . . 1 1 102 102 ARG N N 15 . 9.488 . . 1.5 . . . . . . . . . . . 16083 2 74 DHN . 1 1 103 103 ALA H H 1 . . 1 1 103 103 ALA N N 15 . -3.586 . . 1.5 . . . . . . . . . . . 16083 2 stop_ save_