data_16403 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16403 _Entry.Title ; SOLUTION STRUCTURE OF GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-10 _Entry.Accession_date 2009-07-10 _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, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Thomas Leeper . C. . 16403 2 Gabriele Varani . . . 16403 3 Suxin Zheng . . . 16403 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 . SSGCID 'Seattle Structural Genomics Center for Infectious Disease' . 16403 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ELECTRON TRANSPORT' . 16403 GLUTAREDOXIN . 16403 NMR . 16403 'SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE' . 16403 SSGCID . 16403 'STRUCTURAL GENOMICS STRUCTURAL GENOMICS' . 16403 'THIOREDOXIN TYPE DOMAIN' . 16403 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16403 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 16403 '15N chemical shifts' 90 16403 '1H chemical shifts' 588 16403 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-28 2009-07-10 update BMRB 'edit entity/assembly name' 16403 1 . . 2009-07-13 2009-07-10 original author 'original release' 16403 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KLX 'BMRB Entry Tracking System' 16403 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16403 _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 'SOLUTION STRUCTURE OF GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Leeper . C. . 16403 1 2 Gabriele Varani . . . 16403 1 3 Suxin Zheng . . . 16403 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16403 _Assembly.ID 1 _Assembly.Name GLUTAREDOXIN _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 GLUTAREDOXIN 1 $entity A . yes native no no . . . 16403 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide 1 . 1 entity 1 CYS 16 16 SG . 1 entity 1 CYS 19 19 SG . entity 12 CYS SG . entity 15 CYS SG 16403 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16403 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GLUTAREDOXIN _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 ; GPGSMKEIILYTRPNCPYCK RARDLLDKKGVKYTDIDAST SLRQEMVQRANGRNTFPQIF IGDYHVGGCDDLYALENKGK LDSLLQDVH ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10078.538 _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 2KLX . "Solution Structure Of Glutaredoxin From Bartonella Henselae Str. Houston" . . . . . 100.00 89 100.00 100.00 1.57e-58 . . . . 16403 1 2 no EMBL CAF27210 . "Glutaredoxin [Bartonella henselae str. Houston-1]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 3 no EMBL CDO39798 . "glutaredoxin [Bartonella henselae]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 4 no EMBL CDO46401 . "glutaredoxin [Bartonella henselae]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 5 no EMBL CUH90372 . "glutaredoxin [Bartonella henselae]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 6 no GB ETS07795 . "glutaredoxin 3 [Bartonella henselae JK 42]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 7 no GB ETS10040 . "glutaredoxin 3 [Bartonella henselae JK 50]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 8 no GB ETS10550 . "glutaredoxin 3 [Bartonella henselae JK 51]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 9 no GB ETS12211 . "glutaredoxin 3 [Bartonella henselae JK 41]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 10 no GB KEC58084 . "glutaredoxin 3 [Bartonella henselae str. Zeus]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 11 no REF WP_011180337 . "glutaredoxin [Bartonella henselae]" . . . . . 95.51 85 100.00 100.00 2.84e-55 . . . . 16403 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Glutaredoxin 16403 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 -3 GLY . 16403 1 2 -2 PRO . 16403 1 3 -1 GLY . 16403 1 4 0 SER . 16403 1 5 1 MET . 16403 1 6 2 LYS . 16403 1 7 3 GLU . 16403 1 8 4 ILE . 16403 1 9 5 ILE . 16403 1 10 6 LEU . 16403 1 11 7 TYR . 16403 1 12 8 THR . 16403 1 13 9 ARG . 16403 1 14 10 PRO . 16403 1 15 11 ASN . 16403 1 16 12 CYS . 16403 1 17 13 PRO . 16403 1 18 14 TYR . 16403 1 19 15 CYS . 16403 1 20 16 LYS . 16403 1 21 17 ARG . 16403 1 22 18 ALA . 16403 1 23 19 ARG . 16403 1 24 20 ASP . 16403 1 25 21 LEU . 16403 1 26 22 LEU . 16403 1 27 23 ASP . 16403 1 28 24 LYS . 16403 1 29 25 LYS . 16403 1 30 26 GLY . 16403 1 31 27 VAL . 16403 1 32 28 LYS . 16403 1 33 29 TYR . 16403 1 34 30 THR . 16403 1 35 31 ASP . 16403 1 36 32 ILE . 16403 1 37 33 ASP . 16403 1 38 34 ALA . 16403 1 39 35 SER . 16403 1 40 36 THR . 16403 1 41 37 SER . 16403 1 42 38 LEU . 16403 1 43 39 ARG . 16403 1 44 40 GLN . 16403 1 45 41 GLU . 16403 1 46 42 MET . 16403 1 47 43 VAL . 16403 1 48 44 GLN . 16403 1 49 45 ARG . 16403 1 50 46 ALA . 16403 1 51 47 ASN . 16403 1 52 48 GLY . 16403 1 53 49 ARG . 16403 1 54 50 ASN . 16403 1 55 51 THR . 16403 1 56 52 PHE . 16403 1 57 53 PRO . 16403 1 58 54 GLN . 16403 1 59 55 ILE . 16403 1 60 56 PHE . 16403 1 61 57 ILE . 16403 1 62 58 GLY . 16403 1 63 59 ASP . 16403 1 64 60 TYR . 16403 1 65 61 HIS . 16403 1 66 62 VAL . 16403 1 67 63 GLY . 16403 1 68 64 GLY . 16403 1 69 65 CYS . 16403 1 70 66 ASP . 16403 1 71 67 ASP . 16403 1 72 68 LEU . 16403 1 73 69 TYR . 16403 1 74 70 ALA . 16403 1 75 71 LEU . 16403 1 76 72 GLU . 16403 1 77 73 ASN . 16403 1 78 74 LYS . 16403 1 79 75 GLY . 16403 1 80 76 LYS . 16403 1 81 77 LEU . 16403 1 82 78 ASP . 16403 1 83 79 SER . 16403 1 84 80 LEU . 16403 1 85 81 LEU . 16403 1 86 82 GLN . 16403 1 87 83 ASP . 16403 1 88 84 VAL . 16403 1 89 85 HIS . 16403 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16403 1 . PRO 2 2 16403 1 . GLY 3 3 16403 1 . SER 4 4 16403 1 . MET 5 5 16403 1 . LYS 6 6 16403 1 . GLU 7 7 16403 1 . ILE 8 8 16403 1 . ILE 9 9 16403 1 . LEU 10 10 16403 1 . TYR 11 11 16403 1 . THR 12 12 16403 1 . ARG 13 13 16403 1 . PRO 14 14 16403 1 . ASN 15 15 16403 1 . CYS 16 16 16403 1 . PRO 17 17 16403 1 . TYR 18 18 16403 1 . CYS 19 19 16403 1 . LYS 20 20 16403 1 . ARG 21 21 16403 1 . ALA 22 22 16403 1 . ARG 23 23 16403 1 . ASP 24 24 16403 1 . LEU 25 25 16403 1 . LEU 26 26 16403 1 . ASP 27 27 16403 1 . LYS 28 28 16403 1 . LYS 29 29 16403 1 . GLY 30 30 16403 1 . VAL 31 31 16403 1 . LYS 32 32 16403 1 . TYR 33 33 16403 1 . THR 34 34 16403 1 . ASP 35 35 16403 1 . ILE 36 36 16403 1 . ASP 37 37 16403 1 . ALA 38 38 16403 1 . SER 39 39 16403 1 . THR 40 40 16403 1 . SER 41 41 16403 1 . LEU 42 42 16403 1 . ARG 43 43 16403 1 . GLN 44 44 16403 1 . GLU 45 45 16403 1 . MET 46 46 16403 1 . VAL 47 47 16403 1 . GLN 48 48 16403 1 . ARG 49 49 16403 1 . ALA 50 50 16403 1 . ASN 51 51 16403 1 . GLY 52 52 16403 1 . ARG 53 53 16403 1 . ASN 54 54 16403 1 . THR 55 55 16403 1 . PHE 56 56 16403 1 . PRO 57 57 16403 1 . GLN 58 58 16403 1 . ILE 59 59 16403 1 . PHE 60 60 16403 1 . ILE 61 61 16403 1 . GLY 62 62 16403 1 . ASP 63 63 16403 1 . TYR 64 64 16403 1 . HIS 65 65 16403 1 . VAL 66 66 16403 1 . GLY 67 67 16403 1 . GLY 68 68 16403 1 . CYS 69 69 16403 1 . ASP 70 70 16403 1 . ASP 71 71 16403 1 . LEU 72 72 16403 1 . TYR 73 73 16403 1 . ALA 74 74 16403 1 . LEU 75 75 16403 1 . GLU 76 76 16403 1 . ASN 77 77 16403 1 . LYS 78 78 16403 1 . GLY 79 79 16403 1 . LYS 80 80 16403 1 . LEU 81 81 16403 1 . ASP 82 82 16403 1 . SER 83 83 16403 1 . LEU 84 84 16403 1 . LEU 85 85 16403 1 . GLN 86 86 16403 1 . ASP 87 87 16403 1 . VAL 88 88 16403 1 . HIS 89 89 16403 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 16403 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 283166 organism . 'Bartonella henselae' 'Bartonella henselae' . . Bacteria . Bartonella henselae Houston-1 . . . . . . . . . . . . . . . . . . . . 16403 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 16403 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli RIL . . . . . . . . . . . . . . . 'AVA vector' . . . 'protein cleaved with 3C protease.' . . 16403 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16403 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM 0.05 . . . 16403 1 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM 0 . . . 16403 1 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM 0 . . . 16403 1 4 D2O 'natural abundance' . . . . . . 8 . . % 0 . . . 16403 1 5 H2O 'natural abundance' . . . . . . 92 . . % 0 . . . 16403 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16403 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.8 . . mM 0.05 . . . 16403 2 2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM 0 . . . 16403 2 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM 0 . . . 16403 2 4 D2O 'natural abundance' . . . . . . 8 . . % 0 . . . 16403 2 5 H2O 'natural abundance' . . . . . . 92 . . % 0 . . . 16403 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16403 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 110 0 mM 16403 1 pH 7 0 pH 16403 1 pressure 1 . atm 16403 1 temperature 298 . K 16403 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16403 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16403 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16403 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16403 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16403 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16403 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16403 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16403 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16403 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16403 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16403 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16403 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 16403 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16403 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16403 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16403 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16403 1 2 spectrometer_2 Bruker Avance . 600 . . . 16403 1 3 spectrometer_3 Bruker Avance . 750 . . . 16403 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 16403 _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 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16403 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16403 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16403 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16403 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16403 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16403 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16403 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16403 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16403 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16403 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 16403 _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 . . . . . . . . . 16403 1 H 1 water protons . . . . ppm 4.71 internal direct 1 . . . . . . . . . 16403 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16403 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 16403 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N TOCSY' . . . 16403 1 3 '2D 1H-15N HSQC' . . . 16403 1 4 '2D 1H-13C HSQC' . . . 16403 1 5 '3D HNCO' . . . 16403 1 6 '3D HNCA' . . . 16403 1 7 '3D HN(CO)CA' . . . 16403 1 8 '3D CBCA(CO)NH' . . . 16403 1 9 '3D HNCACB' . . . 16403 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 $NMRPipe . . 16403 1 2 $CYANA . . 16403 1 3 $SPARKY . . 16403 1 4 $TOPSPIN . . 16403 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 177.005 0.400 . 1 . . . . -2 PRO C . 16403 1 2 . 1 1 2 2 PRO CA C 13 63.481 0.400 . 1 . . . . -2 PRO CA . 16403 1 3 . 1 1 2 2 PRO CB C 13 32.244 0.400 . 1 . . . . -2 PRO CB . 16403 1 4 . 1 1 3 3 GLY H H 1 8.665 0.020 . 1 . . . . -1 GLY H . 16403 1 5 . 1 1 3 3 GLY HA2 H 1 3.985 0.020 . 2 . . . . -1 GLY HA2 . 16403 1 6 . 1 1 3 3 GLY HA3 H 1 3.985 0.020 . 2 . . . . -1 GLY HA3 . 16403 1 7 . 1 1 3 3 GLY C C 13 173.706 0.400 . 1 . . . . -1 GLY C . 16403 1 8 . 1 1 3 3 GLY CA C 13 45.291 0.400 . 1 . . . . -1 GLY CA . 16403 1 9 . 1 1 3 3 GLY N N 15 109.788 0.400 . 1 . . . . -1 GLY N . 16403 1 10 . 1 1 4 4 SER H H 1 8.190 0.020 . 1 . . . . 0 SER H . 16403 1 11 . 1 1 4 4 SER HA H 1 4.477 0.020 . 1 . . . . 0 SER HA . 16403 1 12 . 1 1 4 4 SER HB2 H 1 3.891 0.020 . 2 . . . . 0 SER HB2 . 16403 1 13 . 1 1 4 4 SER HB3 H 1 3.889 0.020 . 2 . . . . 0 SER HB3 . 16403 1 14 . 1 1 4 4 SER C C 13 175.738 0.400 . 1 . . . . 0 SER C . 16403 1 15 . 1 1 4 4 SER CA C 13 58.322 0.400 . 1 . . . . 0 SER CA . 16403 1 16 . 1 1 4 4 SER CB C 13 63.927 0.400 . 1 . . . . 0 SER CB . 16403 1 17 . 1 1 4 4 SER N N 15 115.613 0.400 . 1 . . . . 0 SER N . 16403 1 18 . 1 1 5 5 MET H H 1 8.458 0.020 . 1 . . . . 1 MET H . 16403 1 19 . 1 1 5 5 MET HA H 1 4.320 0.020 . 1 . . . . 1 MET HA . 16403 1 20 . 1 1 5 5 MET HB2 H 1 1.675 0.020 . 2 . . . . 1 MET HB2 . 16403 1 21 . 1 1 5 5 MET HB3 H 1 1.429 0.020 . 2 . . . . 1 MET HB3 . 16403 1 22 . 1 1 5 5 MET HE1 H 1 0.909 0.020 . 1 . . . . 1 MET HE . 16403 1 23 . 1 1 5 5 MET HE2 H 1 0.909 0.020 . 1 . . . . 1 MET HE . 16403 1 24 . 1 1 5 5 MET HE3 H 1 0.909 0.020 . 1 . . . . 1 MET HE . 16403 1 25 . 1 1 5 5 MET HG2 H 1 3.006 0.020 . 2 . . . . 1 MET HG2 . 16403 1 26 . 1 1 5 5 MET HG3 H 1 2.074 0.020 . 2 . . . . 1 MET HG3 . 16403 1 27 . 1 1 5 5 MET C C 13 173.977 0.400 . 1 . . . . 1 MET C . 16403 1 28 . 1 1 5 5 MET CA C 13 56.011 0.400 . 1 . . . . 1 MET CA . 16403 1 29 . 1 1 5 5 MET CB C 13 33.797 0.400 . 1 . . . . 1 MET CB . 16403 1 30 . 1 1 5 5 MET N N 15 122.334 0.400 . 1 . . . . 1 MET N . 16403 1 31 . 1 1 6 6 LYS H H 1 8.445 0.020 . 1 . . . . 2 LYS H . 16403 1 32 . 1 1 6 6 LYS HA H 1 4.566 0.020 . 1 . . . . 2 LYS HA . 16403 1 33 . 1 1 6 6 LYS HB2 H 1 2.081 0.020 . 2 . . . . 2 LYS HB2 . 16403 1 34 . 1 1 6 6 LYS HB3 H 1 2.081 0.020 . 2 . . . . 2 LYS HB3 . 16403 1 35 . 1 1 6 6 LYS HD2 H 1 1.997 0.020 . 2 . . . . 2 LYS HD2 . 16403 1 36 . 1 1 6 6 LYS HD3 H 1 1.997 0.020 . 2 . . . . 2 LYS HD3 . 16403 1 37 . 1 1 6 6 LYS HE2 H 1 2.582 0.020 . 2 . . . . 2 LYS HE2 . 16403 1 38 . 1 1 6 6 LYS HE3 H 1 2.582 0.020 . 2 . . . . 2 LYS HE3 . 16403 1 39 . 1 1 6 6 LYS C C 13 174.575 0.400 . 1 . . . . 2 LYS C . 16403 1 40 . 1 1 6 6 LYS CA C 13 55.887 0.400 . 1 . . . . 2 LYS CA . 16403 1 41 . 1 1 6 6 LYS CB C 13 33.848 0.400 . 1 . . . . 2 LYS CB . 16403 1 42 . 1 1 6 6 LYS N N 15 122.229 0.400 . 1 . . . . 2 LYS N . 16403 1 43 . 1 1 7 7 GLU H H 1 8.324 0.020 . 1 . . . . 3 GLU H . 16403 1 44 . 1 1 7 7 GLU HA H 1 4.440 0.020 . 1 . . . . 3 GLU HA . 16403 1 45 . 1 1 7 7 GLU HB2 H 1 2.178 0.020 . 2 . . . . 3 GLU HB2 . 16403 1 46 . 1 1 7 7 GLU HB3 H 1 2.178 0.020 . 2 . . . . 3 GLU HB3 . 16403 1 47 . 1 1 7 7 GLU HG2 H 1 1.886 0.020 . 2 . . . . 3 GLU HG2 . 16403 1 48 . 1 1 7 7 GLU HG3 H 1 1.978 0.020 . 2 . . . . 3 GLU HG3 . 16403 1 49 . 1 1 7 7 GLU C C 13 175.491 0.400 . 1 . . . . 3 GLU C . 16403 1 50 . 1 1 7 7 GLU CA C 13 55.680 0.400 . 1 . . . . 3 GLU CA . 16403 1 51 . 1 1 7 7 GLU CB C 13 31.513 0.400 . 1 . . . . 3 GLU CB . 16403 1 52 . 1 1 7 7 GLU N N 15 121.539 0.400 . 1 . . . . 3 GLU N . 16403 1 53 . 1 1 8 8 ILE H H 1 9.014 0.020 . 1 . . . . 4 ILE H . 16403 1 54 . 1 1 8 8 ILE HA H 1 5.025 0.020 . 1 . . . . 4 ILE HA . 16403 1 55 . 1 1 8 8 ILE HB H 1 2.052 0.020 . 1 . . . . 4 ILE HB . 16403 1 56 . 1 1 8 8 ILE HD11 H 1 0.829 0.020 . 1 . . . . 4 ILE HD1 . 16403 1 57 . 1 1 8 8 ILE HD12 H 1 0.829 0.020 . 1 . . . . 4 ILE HD1 . 16403 1 58 . 1 1 8 8 ILE HD13 H 1 0.829 0.020 . 1 . . . . 4 ILE HD1 . 16403 1 59 . 1 1 8 8 ILE HG12 H 1 1.856 0.020 . 2 . . . . 4 ILE HG12 . 16403 1 60 . 1 1 8 8 ILE HG13 H 1 1.843 0.020 . 2 . . . . 4 ILE HG13 . 16403 1 61 . 1 1 8 8 ILE HG21 H 1 0.963 0.020 . 1 . . . . 4 ILE HG2 . 16403 1 62 . 1 1 8 8 ILE HG22 H 1 0.963 0.020 . 1 . . . . 4 ILE HG2 . 16403 1 63 . 1 1 8 8 ILE HG23 H 1 0.963 0.020 . 1 . . . . 4 ILE HG2 . 16403 1 64 . 1 1 8 8 ILE C C 13 174.199 0.400 . 1 . . . . 4 ILE C . 16403 1 65 . 1 1 8 8 ILE CA C 13 60.927 0.400 . 1 . . . . 4 ILE CA . 16403 1 66 . 1 1 8 8 ILE CB C 13 38.759 0.400 . 1 . . . . 4 ILE CB . 16403 1 67 . 1 1 8 8 ILE CD1 C 13 17.353 0.400 . 1 . . . . 4 ILE CD1 . 16403 1 68 . 1 1 8 8 ILE CG2 C 13 14.975 0.400 . 1 . . . . 4 ILE CG2 . 16403 1 69 . 1 1 8 8 ILE N N 15 127.255 0.400 . 1 . . . . 4 ILE N . 16403 1 70 . 1 1 9 9 ILE H H 1 9.104 0.020 . 1 . . . . 5 ILE H . 16403 1 71 . 1 1 9 9 ILE HA H 1 4.900 0.020 . 1 . . . . 5 ILE HA . 16403 1 72 . 1 1 9 9 ILE HB H 1 1.702 0.020 . 1 . . . . 5 ILE HB . 16403 1 73 . 1 1 9 9 ILE HD11 H 1 0.389 0.020 . 1 . . . . 5 ILE HD1 . 16403 1 74 . 1 1 9 9 ILE HD12 H 1 0.389 0.020 . 1 . . . . 5 ILE HD1 . 16403 1 75 . 1 1 9 9 ILE HD13 H 1 0.389 0.020 . 1 . . . . 5 ILE HD1 . 16403 1 76 . 1 1 9 9 ILE HG12 H 1 0.983 0.020 . 2 . . . . 5 ILE HG12 . 16403 1 77 . 1 1 9 9 ILE HG13 H 1 1.414 0.020 . 2 . . . . 5 ILE HG13 . 16403 1 78 . 1 1 9 9 ILE HG21 H 1 0.687 0.020 . 1 . . . . 5 ILE HG2 . 16403 1 79 . 1 1 9 9 ILE HG22 H 1 0.687 0.020 . 1 . . . . 5 ILE HG2 . 16403 1 80 . 1 1 9 9 ILE HG23 H 1 0.687 0.020 . 1 . . . . 5 ILE HG2 . 16403 1 81 . 1 1 9 9 ILE C C 13 173.906 0.400 . 1 . . . . 5 ILE C . 16403 1 82 . 1 1 9 9 ILE CA C 13 59.727 0.400 . 1 . . . . 5 ILE CA . 16403 1 83 . 1 1 9 9 ILE CB C 13 41.627 0.400 . 1 . . . . 5 ILE CB . 16403 1 84 . 1 1 9 9 ILE CD1 C 13 17.730 0.400 . 1 . . . . 5 ILE CD1 . 16403 1 85 . 1 1 9 9 ILE CG1 C 13 28.300 0.400 . 1 . . . . 5 ILE CG1 . 16403 1 86 . 1 1 9 9 ILE CG2 C 13 16.652 0.400 . 1 . . . . 5 ILE CG2 . 16403 1 87 . 1 1 9 9 ILE N N 15 128.326 0.400 . 1 . . . . 5 ILE N . 16403 1 88 . 1 1 10 10 LEU H H 1 8.891 0.020 . 1 . . . . 6 LEU H . 16403 1 89 . 1 1 10 10 LEU HA H 1 5.157 0.020 . 1 . . . . 6 LEU HA . 16403 1 90 . 1 1 10 10 LEU HB2 H 1 1.485 0.020 . 2 . . . . 6 LEU HB2 . 16403 1 91 . 1 1 10 10 LEU HB3 H 1 1.353 0.020 . 2 . . . . 6 LEU HB3 . 16403 1 92 . 1 1 10 10 LEU HD21 H 1 0.467 0.020 . 2 . . . . 6 LEU HD2 . 16403 1 93 . 1 1 10 10 LEU HD22 H 1 0.467 0.020 . 2 . . . . 6 LEU HD2 . 16403 1 94 . 1 1 10 10 LEU HD23 H 1 0.467 0.020 . 2 . . . . 6 LEU HD2 . 16403 1 95 . 1 1 10 10 LEU HG H 1 1.523 0.020 . 1 . . . . 6 LEU HG . 16403 1 96 . 1 1 10 10 LEU CA C 13 54.076 0.400 . 1 . . . . 6 LEU CA . 16403 1 97 . 1 1 10 10 LEU CB C 13 44.892 0.400 . 1 . . . . 6 LEU CB . 16403 1 98 . 1 1 10 10 LEU CD2 C 13 26.262 0.400 . 1 . . . . 6 LEU CD2 . 16403 1 99 . 1 1 10 10 LEU CG C 13 28.095 0.400 . 1 . . . . 6 LEU CG . 16403 1 100 . 1 1 10 10 LEU N N 15 125.779 0.400 . 1 . . . . 6 LEU N . 16403 1 101 . 1 1 11 11 TYR H H 1 9.099 0.020 . 1 . . . . 7 TYR H . 16403 1 102 . 1 1 11 11 TYR HA H 1 4.336 0.020 . 1 . . . . 7 TYR HA . 16403 1 103 . 1 1 11 11 TYR HB2 H 1 3.201 0.020 . 2 . . . . 7 TYR HB2 . 16403 1 104 . 1 1 11 11 TYR HB3 H 1 2.917 0.020 . 2 . . . . 7 TYR HB3 . 16403 1 105 . 1 1 11 11 TYR HD1 H 1 6.557 0.020 . 1 . . . . 7 TYR HD1 . 16403 1 106 . 1 1 11 11 TYR HD2 H 1 6.557 0.020 . 1 . . . . 7 TYR HD2 . 16403 1 107 . 1 1 11 11 TYR HE1 H 1 7.206 0.020 . 1 . . . . 7 TYR HE1 . 16403 1 108 . 1 1 11 11 TYR HE2 H 1 7.206 0.020 . 1 . . . . 7 TYR HE2 . 16403 1 109 . 1 1 11 11 TYR C C 13 177.041 0.400 . 1 . . . . 7 TYR C . 16403 1 110 . 1 1 11 11 TYR CA C 13 57.379 0.400 . 1 . . . . 7 TYR CA . 16403 1 111 . 1 1 11 11 TYR CB C 13 40.345 0.400 . 1 . . . . 7 TYR CB . 16403 1 112 . 1 1 12 12 THR H H 1 9.286 0.020 . 1 . . . . 8 THR H . 16403 1 113 . 1 1 12 12 THR HA H 1 5.105 0.020 . 1 . . . . 8 THR HA . 16403 1 114 . 1 1 12 12 THR HB H 1 4.380 0.020 . 1 . . . . 8 THR HB . 16403 1 115 . 1 1 12 12 THR HG21 H 1 1.130 0.020 . 1 . . . . 8 THR HG2 . 16403 1 116 . 1 1 12 12 THR HG22 H 1 1.130 0.020 . 1 . . . . 8 THR HG2 . 16403 1 117 . 1 1 12 12 THR HG23 H 1 1.130 0.020 . 1 . . . . 8 THR HG2 . 16403 1 118 . 1 1 12 12 THR C C 13 172.005 0.400 . 1 . . . . 8 THR C . 16403 1 119 . 1 1 12 12 THR CA C 13 60.604 0.400 . 1 . . . . 8 THR CA . 16403 1 120 . 1 1 12 12 THR CB C 13 73.108 0.400 . 1 . . . . 8 THR CB . 16403 1 121 . 1 1 12 12 THR CG2 C 13 21.575 0.400 . 1 . . . . 8 THR CG2 . 16403 1 122 . 1 1 12 12 THR N N 15 111.938 0.400 . 1 . . . . 8 THR N . 16403 1 123 . 1 1 13 13 ARG H H 1 7.513 0.020 . 1 . . . . 9 ARG H . 16403 1 124 . 1 1 13 13 ARG HA H 1 4.826 0.020 . 1 . . . . 9 ARG HA . 16403 1 125 . 1 1 13 13 ARG HB2 H 1 1.142 0.020 . 2 . . . . 9 ARG HB2 . 16403 1 126 . 1 1 13 13 ARG HB3 H 1 1.142 0.020 . 2 . . . . 9 ARG HB3 . 16403 1 127 . 1 1 13 13 ARG HD2 H 1 2.714 0.020 . 2 . . . . 9 ARG HD2 . 16403 1 128 . 1 1 13 13 ARG HD3 H 1 2.714 0.020 . 2 . . . . 9 ARG HD3 . 16403 1 129 . 1 1 13 13 ARG HG2 H 1 1.018 0.020 . 2 . . . . 9 ARG HG2 . 16403 1 130 . 1 1 13 13 ARG HG3 H 1 1.018 0.020 . 2 . . . . 9 ARG HG3 . 16403 1 131 . 1 1 13 13 ARG CA C 13 52.836 0.400 . 1 . . . . 9 ARG CA . 16403 1 132 . 1 1 13 13 ARG CB C 13 31.436 0.400 . 1 . . . . 9 ARG CB . 16403 1 133 . 1 1 13 13 ARG N N 15 114.036 0.400 . 1 . . . . 9 ARG N . 16403 1 134 . 1 1 14 14 PRO HA H 1 4.294 0.020 . 1 . . . . 10 PRO HA . 16403 1 135 . 1 1 14 14 PRO HB2 H 1 1.949 0.020 . 2 . . . . 10 PRO HB2 . 16403 1 136 . 1 1 14 14 PRO HB3 H 1 1.517 0.020 . 2 . . . . 10 PRO HB3 . 16403 1 137 . 1 1 14 14 PRO HD2 H 1 3.894 0.020 . 2 . . . . 10 PRO HD2 . 16403 1 138 . 1 1 14 14 PRO HD3 H 1 3.894 0.020 . 2 . . . . 10 PRO HD3 . 16403 1 139 . 1 1 14 14 PRO HG2 H 1 1.640 0.020 . 2 . . . . 10 PRO HG2 . 16403 1 140 . 1 1 14 14 PRO HG3 H 1 1.641 0.020 . 2 . . . . 10 PRO HG3 . 16403 1 141 . 1 1 14 14 PRO C C 13 176.477 0.400 . 1 . . . . 10 PRO C . 16403 1 142 . 1 1 14 14 PRO CA C 13 63.464 0.400 . 1 . . . . 10 PRO CA . 16403 1 143 . 1 1 14 14 PRO CB C 13 32.615 0.400 . 1 . . . . 10 PRO CB . 16403 1 144 . 1 1 15 15 ASN H H 1 8.987 0.020 . 1 . . . . 11 ASN H . 16403 1 145 . 1 1 15 15 ASN HA H 1 4.240 0.020 . 1 . . . . 11 ASN HA . 16403 1 146 . 1 1 15 15 ASN HB2 H 1 2.831 0.020 . 2 . . . . 11 ASN HB2 . 16403 1 147 . 1 1 15 15 ASN HB3 H 1 2.836 0.020 . 2 . . . . 11 ASN HB3 . 16403 1 148 . 1 1 15 15 ASN HD21 H 1 6.958 0.020 . 2 . . . . 11 ASN HD21 . 16403 1 149 . 1 1 15 15 ASN HD22 H 1 7.598 0.020 . 2 . . . . 11 ASN HD22 . 16403 1 150 . 1 1 15 15 ASN C C 13 176.266 0.400 . 1 . . . . 11 ASN C . 16403 1 151 . 1 1 15 15 ASN CA C 13 54.464 0.400 . 1 . . . . 11 ASN CA . 16403 1 152 . 1 1 15 15 ASN CB C 13 37.500 0.400 . 1 . . . . 11 ASN CB . 16403 1 153 . 1 1 15 15 ASN CG C 13 177.745 0.400 . 1 . . . . 11 ASN CG . 16403 1 154 . 1 1 15 15 ASN N N 15 115.463 0.400 . 1 . . . . 11 ASN N . 16403 1 155 . 1 1 15 15 ASN ND2 N 15 114.192 0.400 . 1 . . . . 11 ASN ND2 . 16403 1 156 . 1 1 16 16 CYS H H 1 7.324 0.020 . 1 . . . . 12 CYS H . 16403 1 157 . 1 1 16 16 CYS HA H 1 4.931 0.020 . 1 . . . . 12 CYS HA . 16403 1 158 . 1 1 16 16 CYS HB2 H 1 2.808 0.020 . 2 . . . . 12 CYS HB2 . 16403 1 159 . 1 1 16 16 CYS HB3 H 1 2.686 0.020 . 2 . . . . 12 CYS HB3 . 16403 1 160 . 1 1 16 16 CYS CA C 13 56.277 0.400 . 1 . . . . 12 CYS CA . 16403 1 161 . 1 1 16 16 CYS N N 15 123.174 0.400 . 1 . . . . 12 CYS N . 16403 1 162 . 1 1 17 17 PRO C C 13 178.555 0.400 . 1 . . . . 13 PRO C . 16403 1 163 . 1 1 17 17 PRO CA C 13 64.409 0.400 . 1 . . . . 13 PRO CA . 16403 1 164 . 1 1 17 17 PRO CB C 13 33.538 0.400 . 1 . . . . 13 PRO CB . 16403 1 165 . 1 1 18 18 TYR H H 1 9.325 0.020 . 1 . . . . 14 TYR H . 16403 1 166 . 1 1 18 18 TYR HA H 1 4.404 0.020 . 1 . . . . 14 TYR HA . 16403 1 167 . 1 1 18 18 TYR HB2 H 1 3.373 0.020 . 2 . . . . 14 TYR HB2 . 16403 1 168 . 1 1 18 18 TYR HB3 H 1 3.144 0.020 . 2 . . . . 14 TYR HB3 . 16403 1 169 . 1 1 18 18 TYR HD1 H 1 7.352 0.020 . 1 . . . . 14 TYR HD1 . 16403 1 170 . 1 1 18 18 TYR HD2 H 1 7.352 0.020 . 1 . . . . 14 TYR HD2 . 16403 1 171 . 1 1 18 18 TYR HE1 H 1 6.943 0.020 . 1 . . . . 14 TYR HE1 . 16403 1 172 . 1 1 18 18 TYR HE2 H 1 6.943 0.020 . 1 . . . . 14 TYR HE2 . 16403 1 173 . 1 1 18 18 TYR CA C 13 60.921 0.400 . 1 . . . . 14 TYR CA . 16403 1 174 . 1 1 18 18 TYR N N 15 127.149 0.400 . 1 . . . . 14 TYR N . 16403 1 175 . 1 1 19 19 CYS H H 1 9.687 0.020 . 1 . . . . 15 CYS H . 16403 1 176 . 1 1 19 19 CYS HA H 1 4.725 0.020 . 1 . . . . 15 CYS HA . 16403 1 177 . 1 1 19 19 CYS C C 13 174.998 0.400 . 1 . . . . 15 CYS C . 16403 1 178 . 1 1 19 19 CYS CA C 13 64.573 0.400 . 1 . . . . 15 CYS CA . 16403 1 179 . 1 1 19 19 CYS CB C 13 29.227 0.400 . 1 . . . . 15 CYS CB . 16403 1 180 . 1 1 19 19 CYS N N 15 127.652 0.400 . 1 . . . . 15 CYS N . 16403 1 181 . 1 1 20 20 LYS H H 1 7.706 0.020 . 1 . . . . 16 LYS H . 16403 1 182 . 1 1 20 20 LYS HA H 1 3.946 0.020 . 1 . . . . 16 LYS HA . 16403 1 183 . 1 1 20 20 LYS HB2 H 1 1.707 0.020 . 2 . . . . 16 LYS HB2 . 16403 1 184 . 1 1 20 20 LYS HB3 H 1 1.875 0.020 . 2 . . . . 16 LYS HB3 . 16403 1 185 . 1 1 20 20 LYS HD2 H 1 1.622 0.020 . 2 . . . . 16 LYS HD2 . 16403 1 186 . 1 1 20 20 LYS HD3 H 1 1.622 0.020 . 2 . . . . 16 LYS HD3 . 16403 1 187 . 1 1 20 20 LYS HE2 H 1 3.021 0.020 . 2 . . . . 16 LYS HE2 . 16403 1 188 . 1 1 20 20 LYS HE3 H 1 3.021 0.020 . 2 . . . . 16 LYS HE3 . 16403 1 189 . 1 1 20 20 LYS HG2 H 1 1.452 0.020 . 2 . . . . 16 LYS HG2 . 16403 1 190 . 1 1 20 20 LYS HG3 H 1 1.446 0.020 . 2 . . . . 16 LYS HG3 . 16403 1 191 . 1 1 20 20 LYS C C 13 177.252 0.400 . 1 . . . . 16 LYS C . 16403 1 192 . 1 1 20 20 LYS CA C 13 59.857 0.400 . 1 . . . . 16 LYS CA . 16403 1 193 . 1 1 20 20 LYS CB C 13 32.542 0.400 . 1 . . . . 16 LYS CB . 16403 1 194 . 1 1 20 20 LYS N N 15 119.200 0.400 . 1 . . . . 16 LYS N . 16403 1 195 . 1 1 21 21 ARG H H 1 7.839 0.020 . 1 . . . . 17 ARG H . 16403 1 196 . 1 1 21 21 ARG HA H 1 4.176 0.020 . 1 . . . . 17 ARG HA . 16403 1 197 . 1 1 21 21 ARG HB2 H 1 2.005 0.020 . 2 . . . . 17 ARG HB2 . 16403 1 198 . 1 1 21 21 ARG HB3 H 1 1.858 0.020 . 2 . . . . 17 ARG HB3 . 16403 1 199 . 1 1 21 21 ARG HD2 H 1 3.277 0.020 . 2 . . . . 17 ARG HD2 . 16403 1 200 . 1 1 21 21 ARG HD3 H 1 3.054 0.020 . 2 . . . . 17 ARG HD3 . 16403 1 201 . 1 1 21 21 ARG HG2 H 1 1.412 0.020 . 2 . . . . 17 ARG HG2 . 16403 1 202 . 1 1 21 21 ARG HG3 H 1 1.563 0.020 . 2 . . . . 17 ARG HG3 . 16403 1 203 . 1 1 21 21 ARG C C 13 179.858 0.400 . 1 . . . . 17 ARG C . 16403 1 204 . 1 1 21 21 ARG CA C 13 59.647 0.400 . 1 . . . . 17 ARG CA . 16403 1 205 . 1 1 21 21 ARG CB C 13 30.340 0.400 . 1 . . . . 17 ARG CB . 16403 1 206 . 1 1 21 21 ARG N N 15 117.964 0.400 . 1 . . . . 17 ARG N . 16403 1 207 . 1 1 22 22 ALA H H 1 8.084 0.020 . 1 . . . . 18 ALA H . 16403 1 208 . 1 1 22 22 ALA HA H 1 4.168 0.020 . 1 . . . . 18 ALA HA . 16403 1 209 . 1 1 22 22 ALA HB1 H 1 1.379 0.020 . 1 . . . . 18 ALA HB . 16403 1 210 . 1 1 22 22 ALA HB2 H 1 1.379 0.020 . 1 . . . . 18 ALA HB . 16403 1 211 . 1 1 22 22 ALA HB3 H 1 1.379 0.020 . 1 . . . . 18 ALA HB . 16403 1 212 . 1 1 22 22 ALA C C 13 177.322 0.400 . 1 . . . . 18 ALA C . 16403 1 213 . 1 1 22 22 ALA CA C 13 55.859 0.400 . 1 . . . . 18 ALA CA . 16403 1 214 . 1 1 22 22 ALA CB C 13 19.047 0.400 . 1 . . . . 18 ALA CB . 16403 1 215 . 1 1 22 22 ALA N N 15 124.839 0.400 . 1 . . . . 18 ALA N . 16403 1 216 . 1 1 23 23 ARG H H 1 7.811 0.020 . 1 . . . . 19 ARG H . 16403 1 217 . 1 1 23 23 ARG HA H 1 3.320 0.020 . 1 . . . . 19 ARG HA . 16403 1 218 . 1 1 23 23 ARG HB2 H 1 1.912 0.020 . 2 . . . . 19 ARG HB2 . 16403 1 219 . 1 1 23 23 ARG HB3 H 1 1.970 0.020 . 2 . . . . 19 ARG HB3 . 16403 1 220 . 1 1 23 23 ARG HD2 H 1 3.432 0.020 . 2 . . . . 19 ARG HD2 . 16403 1 221 . 1 1 23 23 ARG HD3 H 1 3.383 0.020 . 2 . . . . 19 ARG HD3 . 16403 1 222 . 1 1 23 23 ARG HG2 H 1 1.678 0.020 . 2 . . . . 19 ARG HG2 . 16403 1 223 . 1 1 23 23 ARG HG3 H 1 1.139 0.020 . 2 . . . . 19 ARG HG3 . 16403 1 224 . 1 1 23 23 ARG C C 13 177.217 0.400 . 1 . . . . 19 ARG C . 16403 1 225 . 1 1 23 23 ARG CA C 13 60.780 0.400 . 1 . . . . 19 ARG CA . 16403 1 226 . 1 1 23 23 ARG CB C 13 30.828 0.400 . 1 . . . . 19 ARG CB . 16403 1 227 . 1 1 23 23 ARG N N 15 116.980 0.400 . 1 . . . . 19 ARG N . 16403 1 228 . 1 1 24 24 ASP H H 1 8.710 0.020 . 1 . . . . 20 ASP H . 16403 1 229 . 1 1 24 24 ASP HA H 1 4.299 0.020 . 1 . . . . 20 ASP HA . 16403 1 230 . 1 1 24 24 ASP HB2 H 1 2.813 0.020 . 2 . . . . 20 ASP HB2 . 16403 1 231 . 1 1 24 24 ASP HB3 H 1 2.813 0.020 . 2 . . . . 20 ASP HB3 . 16403 1 232 . 1 1 24 24 ASP C C 13 178.625 0.400 . 1 . . . . 20 ASP C . 16403 1 233 . 1 1 24 24 ASP CA C 13 57.477 0.400 . 1 . . . . 20 ASP CA . 16403 1 234 . 1 1 24 24 ASP CB C 13 40.551 0.400 . 1 . . . . 20 ASP CB . 16403 1 235 . 1 1 24 24 ASP N N 15 116.717 0.400 . 1 . . . . 20 ASP N . 16403 1 236 . 1 1 25 25 LEU H H 1 7.114 0.020 . 1 . . . . 21 LEU H . 16403 1 237 . 1 1 25 25 LEU HA H 1 4.131 0.020 . 1 . . . . 21 LEU HA . 16403 1 238 . 1 1 25 25 LEU HB2 H 1 1.547 0.020 . 2 . . . . 21 LEU HB2 . 16403 1 239 . 1 1 25 25 LEU HB3 H 1 1.483 0.020 . 2 . . . . 21 LEU HB3 . 16403 1 240 . 1 1 25 25 LEU HD11 H 1 1.094 0.020 . 2 . . . . 21 LEU HD1 . 16403 1 241 . 1 1 25 25 LEU HD12 H 1 1.094 0.020 . 2 . . . . 21 LEU HD1 . 16403 1 242 . 1 1 25 25 LEU HD13 H 1 1.094 0.020 . 2 . . . . 21 LEU HD1 . 16403 1 243 . 1 1 25 25 LEU HD21 H 1 -0.020 0.020 . 2 . . . . 21 LEU HD2 . 16403 1 244 . 1 1 25 25 LEU HD22 H 1 -0.020 0.020 . 2 . . . . 21 LEU HD2 . 16403 1 245 . 1 1 25 25 LEU HD23 H 1 -0.020 0.020 . 2 . . . . 21 LEU HD2 . 16403 1 246 . 1 1 25 25 LEU C C 13 177.580 0.400 . 1 . . . . 21 LEU C . 16403 1 247 . 1 1 25 25 LEU CA C 13 57.857 0.400 . 1 . . . . 21 LEU CA . 16403 1 248 . 1 1 25 25 LEU CB C 13 41.654 0.400 . 1 . . . . 21 LEU CB . 16403 1 249 . 1 1 25 25 LEU CD1 C 13 27.107 0.400 . 1 . . . . 21 LEU CD1 . 16403 1 250 . 1 1 25 25 LEU CD2 C 13 24.537 0.400 . 1 . . . . 21 LEU CD2 . 16403 1 251 . 1 1 25 25 LEU N N 15 119.808 0.400 . 1 . . . . 21 LEU N . 16403 1 252 . 1 1 26 26 LEU H H 1 7.294 0.020 . 1 . . . . 22 LEU H . 16403 1 253 . 1 1 26 26 LEU HA H 1 3.767 0.020 . 1 . . . . 22 LEU HA . 16403 1 254 . 1 1 26 26 LEU HB2 H 1 1.713 0.020 . 2 . . . . 22 LEU HB2 . 16403 1 255 . 1 1 26 26 LEU HB3 H 1 1.344 0.020 . 2 . . . . 22 LEU HB3 . 16403 1 256 . 1 1 26 26 LEU HD11 H 1 0.592 0.020 . 2 . . . . 22 LEU HD1 . 16403 1 257 . 1 1 26 26 LEU HD12 H 1 0.592 0.020 . 2 . . . . 22 LEU HD1 . 16403 1 258 . 1 1 26 26 LEU HD13 H 1 0.592 0.020 . 2 . . . . 22 LEU HD1 . 16403 1 259 . 1 1 26 26 LEU HD21 H 1 0.337 0.020 . 2 . . . . 22 LEU HD2 . 16403 1 260 . 1 1 26 26 LEU HD22 H 1 0.337 0.020 . 2 . . . . 22 LEU HD2 . 16403 1 261 . 1 1 26 26 LEU HD23 H 1 0.337 0.020 . 2 . . . . 22 LEU HD2 . 16403 1 262 . 1 1 26 26 LEU C C 13 178.696 0.400 . 1 . . . . 22 LEU C . 16403 1 263 . 1 1 26 26 LEU CA C 13 58.107 0.400 . 1 . . . . 22 LEU CA . 16403 1 264 . 1 1 26 26 LEU CB C 13 40.750 0.400 . 1 . . . . 22 LEU CB . 16403 1 265 . 1 1 26 26 LEU CD1 C 13 21.477 0.400 . 1 . . . . 22 LEU CD1 . 16403 1 266 . 1 1 26 26 LEU CD2 C 13 26.637 0.400 . 1 . . . . 22 LEU CD2 . 16403 1 267 . 1 1 26 26 LEU N N 15 117.901 0.400 . 1 . . . . 22 LEU N . 16403 1 268 . 1 1 27 27 ASP H H 1 9.446 0.020 . 1 . . . . 23 ASP H . 16403 1 269 . 1 1 27 27 ASP HA H 1 4.608 0.020 . 1 . . . . 23 ASP HA . 16403 1 270 . 1 1 27 27 ASP HB2 H 1 2.893 0.020 . 2 . . . . 23 ASP HB2 . 16403 1 271 . 1 1 27 27 ASP HB3 H 1 2.893 0.020 . 2 . . . . 23 ASP HB3 . 16403 1 272 . 1 1 27 27 ASP C C 13 180.104 0.400 . 1 . . . . 23 ASP C . 16403 1 273 . 1 1 27 27 ASP CA C 13 57.406 0.400 . 1 . . . . 23 ASP CA . 16403 1 274 . 1 1 27 27 ASP CB C 13 39.839 0.400 . 1 . . . . 23 ASP CB . 16403 1 275 . 1 1 27 27 ASP N N 15 119.946 0.400 . 1 . . . . 23 ASP N . 16403 1 276 . 1 1 28 28 LYS H H 1 7.915 0.020 . 1 . . . . 24 LYS H . 16403 1 277 . 1 1 28 28 LYS HA H 1 4.079 0.020 . 1 . . . . 24 LYS HA . 16403 1 278 . 1 1 28 28 LYS HB2 H 1 2.047 0.020 . 2 . . . . 24 LYS HB2 . 16403 1 279 . 1 1 28 28 LYS HB3 H 1 2.047 0.020 . 2 . . . . 24 LYS HB3 . 16403 1 280 . 1 1 28 28 LYS HD2 H 1 1.637 0.020 . 2 . . . . 24 LYS HD2 . 16403 1 281 . 1 1 28 28 LYS HD3 H 1 1.637 0.020 . 2 . . . . 24 LYS HD3 . 16403 1 282 . 1 1 28 28 LYS HE2 H 1 2.884 0.020 . 2 . . . . 24 LYS HE2 . 16403 1 283 . 1 1 28 28 LYS HE3 H 1 2.884 0.020 . 2 . . . . 24 LYS HE3 . 16403 1 284 . 1 1 28 28 LYS HG2 H 1 1.481 0.020 . 2 . . . . 24 LYS HG2 . 16403 1 285 . 1 1 28 28 LYS HG3 H 1 1.481 0.020 . 2 . . . . 24 LYS HG3 . 16403 1 286 . 1 1 28 28 LYS C C 13 178.414 0.400 . 1 . . . . 24 LYS C . 16403 1 287 . 1 1 28 28 LYS CA C 13 59.295 0.400 . 1 . . . . 24 LYS CA . 16403 1 288 . 1 1 28 28 LYS CB C 13 32.342 0.400 . 1 . . . . 24 LYS CB . 16403 1 289 . 1 1 28 28 LYS N N 15 122.484 0.400 . 1 . . . . 24 LYS N . 16403 1 290 . 1 1 29 29 LYS H H 1 7.763 0.020 . 1 . . . . 25 LYS H . 16403 1 291 . 1 1 29 29 LYS HA H 1 4.195 0.020 . 1 . . . . 25 LYS HA . 16403 1 292 . 1 1 29 29 LYS HB2 H 1 2.015 0.020 . 2 . . . . 25 LYS HB2 . 16403 1 293 . 1 1 29 29 LYS HB3 H 1 1.914 0.020 . 2 . . . . 25 LYS HB3 . 16403 1 294 . 1 1 29 29 LYS HD2 H 1 1.624 0.020 . 2 . . . . 25 LYS HD2 . 16403 1 295 . 1 1 29 29 LYS HD3 H 1 1.627 0.020 . 2 . . . . 25 LYS HD3 . 16403 1 296 . 1 1 29 29 LYS HE2 H 1 3.193 0.020 . 2 . . . . 25 LYS HE2 . 16403 1 297 . 1 1 29 29 LYS HE3 H 1 3.193 0.020 . 2 . . . . 25 LYS HE3 . 16403 1 298 . 1 1 29 29 LYS HG2 H 1 1.385 0.020 . 2 . . . . 25 LYS HG2 . 16403 1 299 . 1 1 29 29 LYS HG3 H 1 1.385 0.020 . 2 . . . . 25 LYS HG3 . 16403 1 300 . 1 1 29 29 LYS C C 13 176.583 0.400 . 1 . . . . 25 LYS C . 16403 1 301 . 1 1 29 29 LYS CA C 13 56.122 0.400 . 1 . . . . 25 LYS CA . 16403 1 302 . 1 1 29 29 LYS CB C 13 32.771 0.400 . 1 . . . . 25 LYS CB . 16403 1 303 . 1 1 29 29 LYS N N 15 116.683 0.400 . 1 . . . . 25 LYS N . 16403 1 304 . 1 1 30 30 GLY H H 1 7.961 0.020 . 1 . . . . 26 GLY H . 16403 1 305 . 1 1 30 30 GLY HA2 H 1 4.005 0.020 . 2 . . . . 26 GLY HA2 . 16403 1 306 . 1 1 30 30 GLY HA3 H 1 3.894 0.020 . 2 . . . . 26 GLY HA3 . 16403 1 307 . 1 1 30 30 GLY C C 13 174.223 0.400 . 1 . . . . 26 GLY C . 16403 1 308 . 1 1 30 30 GLY CA C 13 46.265 0.400 . 1 . . . . 26 GLY CA . 16403 1 309 . 1 1 30 30 GLY N N 15 108.209 0.400 . 1 . . . . 26 GLY N . 16403 1 310 . 1 1 31 31 VAL H H 1 7.440 0.020 . 1 . . . . 27 VAL H . 16403 1 311 . 1 1 31 31 VAL HA H 1 4.355 0.020 . 1 . . . . 27 VAL HA . 16403 1 312 . 1 1 31 31 VAL HB H 1 2.144 0.020 . 1 . . . . 27 VAL HB . 16403 1 313 . 1 1 31 31 VAL HG11 H 1 0.926 0.020 . 2 . . . . 27 VAL HG1 . 16403 1 314 . 1 1 31 31 VAL HG12 H 1 0.926 0.020 . 2 . . . . 27 VAL HG1 . 16403 1 315 . 1 1 31 31 VAL HG13 H 1 0.926 0.020 . 2 . . . . 27 VAL HG1 . 16403 1 316 . 1 1 31 31 VAL HG21 H 1 0.919 0.020 . 2 . . . . 27 VAL HG2 . 16403 1 317 . 1 1 31 31 VAL HG22 H 1 0.919 0.020 . 2 . . . . 27 VAL HG2 . 16403 1 318 . 1 1 31 31 VAL HG23 H 1 0.919 0.020 . 2 . . . . 27 VAL HG2 . 16403 1 319 . 1 1 31 31 VAL C C 13 174.294 0.400 . 1 . . . . 27 VAL C . 16403 1 320 . 1 1 31 31 VAL CA C 13 60.115 0.400 . 1 . . . . 27 VAL CA . 16403 1 321 . 1 1 31 31 VAL CB C 13 33.737 0.400 . 1 . . . . 27 VAL CB . 16403 1 322 . 1 1 31 31 VAL CG1 C 13 22.483 0.400 . 1 . . . . 27 VAL CG1 . 16403 1 323 . 1 1 31 31 VAL N N 15 114.927 0.400 . 1 . . . . 27 VAL N . 16403 1 324 . 1 1 32 32 LYS H H 1 8.408 0.020 . 1 . . . . 28 LYS H . 16403 1 325 . 1 1 32 32 LYS HA H 1 4.268 0.020 . 1 . . . . 28 LYS HA . 16403 1 326 . 1 1 32 32 LYS HB2 H 1 1.723 0.020 . 2 . . . . 28 LYS HB2 . 16403 1 327 . 1 1 32 32 LYS HB3 H 1 1.723 0.020 . 2 . . . . 28 LYS HB3 . 16403 1 328 . 1 1 32 32 LYS HD2 H 1 1.596 0.020 . 2 . . . . 28 LYS HD2 . 16403 1 329 . 1 1 32 32 LYS HD3 H 1 1.596 0.020 . 2 . . . . 28 LYS HD3 . 16403 1 330 . 1 1 32 32 LYS HE2 H 1 2.950 0.020 . 2 . . . . 28 LYS HE2 . 16403 1 331 . 1 1 32 32 LYS HE3 H 1 2.950 0.020 . 2 . . . . 28 LYS HE3 . 16403 1 332 . 1 1 32 32 LYS HG2 H 1 1.384 0.020 . 2 . . . . 28 LYS HG2 . 16403 1 333 . 1 1 32 32 LYS HG3 H 1 1.384 0.020 . 2 . . . . 28 LYS HG3 . 16403 1 334 . 1 1 32 32 LYS C C 13 175.385 0.400 . 1 . . . . 28 LYS C . 16403 1 335 . 1 1 32 32 LYS CA C 13 55.441 0.400 . 1 . . . . 28 LYS CA . 16403 1 336 . 1 1 32 32 LYS CB C 13 33.269 0.400 . 1 . . . . 28 LYS CB . 16403 1 337 . 1 1 32 32 LYS N N 15 124.540 0.400 . 1 . . . . 28 LYS N . 16403 1 338 . 1 1 33 33 TYR H H 1 7.451 0.020 . 1 . . . . 29 TYR H . 16403 1 339 . 1 1 33 33 TYR HA H 1 5.149 0.020 . 1 . . . . 29 TYR HA . 16403 1 340 . 1 1 33 33 TYR HB2 H 1 2.694 0.020 . 2 . . . . 29 TYR HB2 . 16403 1 341 . 1 1 33 33 TYR HB3 H 1 2.605 0.020 . 2 . . . . 29 TYR HB3 . 16403 1 342 . 1 1 33 33 TYR HD1 H 1 6.646 0.020 . 1 . . . . 29 TYR HD1 . 16403 1 343 . 1 1 33 33 TYR HD2 H 1 6.646 0.020 . 1 . . . . 29 TYR HD2 . 16403 1 344 . 1 1 33 33 TYR HE1 H 1 6.806 0.020 . 1 . . . . 29 TYR HE1 . 16403 1 345 . 1 1 33 33 TYR HE2 H 1 6.806 0.020 . 1 . . . . 29 TYR HE2 . 16403 1 346 . 1 1 33 33 TYR C C 13 173.730 0.400 . 1 . . . . 29 TYR C . 16403 1 347 . 1 1 33 33 TYR CA C 13 57.198 0.400 . 1 . . . . 29 TYR CA . 16403 1 348 . 1 1 33 33 TYR CB C 13 41.499 0.400 . 1 . . . . 29 TYR CB . 16403 1 349 . 1 1 33 33 TYR CD1 C 13 131.018 0.400 . 1 . . . . 29 TYR CD1 . 16403 1 350 . 1 1 33 33 TYR CD2 C 13 131.018 0.400 . 1 . . . . 29 TYR CD2 . 16403 1 351 . 1 1 33 33 TYR CE1 C 13 117.234 0.400 . 1 . . . . 29 TYR CE1 . 16403 1 352 . 1 1 33 33 TYR CE2 C 13 117.234 0.400 . 1 . . . . 29 TYR CE2 . 16403 1 353 . 1 1 33 33 TYR N N 15 117.090 0.400 . 1 . . . . 29 TYR N . 16403 1 354 . 1 1 34 34 THR H H 1 9.106 0.020 . 1 . . . . 30 THR H . 16403 1 355 . 1 1 34 34 THR HA H 1 4.368 0.020 . 1 . . . . 30 THR HA . 16403 1 356 . 1 1 34 34 THR HB H 1 4.104 0.020 . 1 . . . . 30 THR HB . 16403 1 357 . 1 1 34 34 THR HG21 H 1 1.139 0.020 . 1 . . . . 30 THR HG2 . 16403 1 358 . 1 1 34 34 THR HG22 H 1 1.139 0.020 . 1 . . . . 30 THR HG2 . 16403 1 359 . 1 1 34 34 THR HG23 H 1 1.139 0.020 . 1 . . . . 30 THR HG2 . 16403 1 360 . 1 1 34 34 THR C C 13 171.336 0.400 . 1 . . . . 30 THR C . 16403 1 361 . 1 1 34 34 THR CA C 13 62.096 0.400 . 1 . . . . 30 THR CA . 16403 1 362 . 1 1 34 34 THR CB C 13 70.603 0.400 . 1 . . . . 30 THR CB . 16403 1 363 . 1 1 34 34 THR CG2 C 13 20.597 0.400 . 1 . . . . 30 THR CG2 . 16403 1 364 . 1 1 34 34 THR N N 15 119.343 0.400 . 1 . . . . 30 THR N . 16403 1 365 . 1 1 35 35 ASP H H 1 8.772 0.020 . 1 . . . . 31 ASP H . 16403 1 366 . 1 1 35 35 ASP HA H 1 5.283 0.020 . 1 . . . . 31 ASP HA . 16403 1 367 . 1 1 35 35 ASP HB2 H 1 3.052 0.020 . 2 . . . . 31 ASP HB2 . 16403 1 368 . 1 1 35 35 ASP HB3 H 1 2.326 0.020 . 2 . . . . 31 ASP HB3 . 16403 1 369 . 1 1 35 35 ASP C C 13 175.245 0.400 . 1 . . . . 31 ASP C . 16403 1 370 . 1 1 35 35 ASP CA C 13 52.549 0.400 . 1 . . . . 31 ASP CA . 16403 1 371 . 1 1 35 35 ASP CB C 13 42.286 0.400 . 1 . . . . 31 ASP CB . 16403 1 372 . 1 1 35 35 ASP N N 15 129.184 0.400 . 1 . . . . 31 ASP N . 16403 1 373 . 1 1 36 36 ILE H H 1 9.283 0.020 . 1 . . . . 32 ILE H . 16403 1 374 . 1 1 36 36 ILE HA H 1 4.081 0.020 . 1 . . . . 32 ILE HA . 16403 1 375 . 1 1 36 36 ILE HB H 1 1.518 0.020 . 1 . . . . 32 ILE HB . 16403 1 376 . 1 1 36 36 ILE HD11 H 1 0.580 0.020 . 1 . . . . 32 ILE HD1 . 16403 1 377 . 1 1 36 36 ILE HD12 H 1 0.580 0.020 . 1 . . . . 32 ILE HD1 . 16403 1 378 . 1 1 36 36 ILE HD13 H 1 0.580 0.020 . 1 . . . . 32 ILE HD1 . 16403 1 379 . 1 1 36 36 ILE HG12 H 1 1.304 0.020 . 2 . . . . 32 ILE HG12 . 16403 1 380 . 1 1 36 36 ILE HG13 H 1 1.250 0.020 . 2 . . . . 32 ILE HG13 . 16403 1 381 . 1 1 36 36 ILE HG21 H 1 0.855 0.020 . 1 . . . . 32 ILE HG2 . 16403 1 382 . 1 1 36 36 ILE HG22 H 1 0.855 0.020 . 1 . . . . 32 ILE HG2 . 16403 1 383 . 1 1 36 36 ILE HG23 H 1 0.855 0.020 . 1 . . . . 32 ILE HG2 . 16403 1 384 . 1 1 36 36 ILE C C 13 175.854 0.400 . 1 . . . . 32 ILE C . 16403 1 385 . 1 1 36 36 ILE CA C 13 60.226 0.400 . 1 . . . . 32 ILE CA . 16403 1 386 . 1 1 36 36 ILE CB C 13 39.998 0.400 . 1 . . . . 32 ILE CB . 16403 1 387 . 1 1 36 36 ILE CD1 C 13 12.920 0.400 . 1 . . . . 32 ILE CD1 . 16403 1 388 . 1 1 36 36 ILE N N 15 129.240 0.400 . 1 . . . . 32 ILE N . 16403 1 389 . 1 1 37 37 ASP H H 1 8.298 0.020 . 1 . . . . 33 ASP H . 16403 1 390 . 1 1 37 37 ASP HA H 1 4.648 0.020 . 1 . . . . 33 ASP HA . 16403 1 391 . 1 1 37 37 ASP HB2 H 1 2.816 0.020 . 2 . . . . 33 ASP HB2 . 16403 1 392 . 1 1 37 37 ASP HB3 H 1 2.619 0.020 . 2 . . . . 33 ASP HB3 . 16403 1 393 . 1 1 37 37 ASP CA C 13 54.101 0.400 . 1 . . . . 33 ASP CA . 16403 1 394 . 1 1 37 37 ASP CB C 13 40.536 0.400 . 1 . . . . 33 ASP CB . 16403 1 395 . 1 1 37 37 ASP N N 15 125.570 0.400 . 1 . . . . 33 ASP N . 16403 1 396 . 1 1 38 38 ALA H H 1 9.840 0.020 . 1 . . . . 34 ALA H . 16403 1 397 . 1 1 38 38 ALA HA H 1 4.620 0.020 . 1 . . . . 34 ALA HA . 16403 1 398 . 1 1 38 38 ALA HB1 H 1 1.602 0.020 . 1 . . . . 34 ALA HB . 16403 1 399 . 1 1 38 38 ALA HB2 H 1 1.602 0.020 . 1 . . . . 34 ALA HB . 16403 1 400 . 1 1 38 38 ALA HB3 H 1 1.602 0.020 . 1 . . . . 34 ALA HB . 16403 1 401 . 1 1 38 38 ALA C C 13 175.185 0.400 . 1 . . . . 34 ALA C . 16403 1 402 . 1 1 38 38 ALA CA C 13 51.239 0.400 . 1 . . . . 34 ALA CA . 16403 1 403 . 1 1 38 38 ALA CB C 13 20.627 0.400 . 1 . . . . 34 ALA CB . 16403 1 404 . 1 1 38 38 ALA N N 15 134.980 0.400 . 1 . . . . 34 ALA N . 16403 1 405 . 1 1 39 39 SER H H 1 8.679 0.020 . 1 . . . . 35 SER H . 16403 1 406 . 1 1 39 39 SER HA H 1 4.189 0.020 . 1 . . . . 35 SER HA . 16403 1 407 . 1 1 39 39 SER HB2 H 1 3.993 0.020 . 2 . . . . 35 SER HB2 . 16403 1 408 . 1 1 39 39 SER HB3 H 1 3.748 0.020 . 2 . . . . 35 SER HB3 . 16403 1 409 . 1 1 39 39 SER C C 13 175.713 0.400 . 1 . . . . 35 SER C . 16403 1 410 . 1 1 39 39 SER CA C 13 60.956 0.400 . 1 . . . . 35 SER CA . 16403 1 411 . 1 1 39 39 SER CB C 13 64.425 0.400 . 1 . . . . 35 SER CB . 16403 1 412 . 1 1 39 39 SER N N 15 111.865 0.400 . 1 . . . . 35 SER N . 16403 1 413 . 1 1 40 40 THR H H 1 8.438 0.020 . 1 . . . . 36 THR H . 16403 1 414 . 1 1 40 40 THR HA H 1 4.672 0.020 . 1 . . . . 36 THR HA . 16403 1 415 . 1 1 40 40 THR HB H 1 4.450 0.020 . 1 . . . . 36 THR HB . 16403 1 416 . 1 1 40 40 THR HG21 H 1 1.212 0.020 . 1 . . . . 36 THR HG2 . 16403 1 417 . 1 1 40 40 THR HG22 H 1 1.212 0.020 . 1 . . . . 36 THR HG2 . 16403 1 418 . 1 1 40 40 THR HG23 H 1 1.212 0.020 . 1 . . . . 36 THR HG2 . 16403 1 419 . 1 1 40 40 THR CA C 13 59.859 0.400 . 1 . . . . 36 THR CA . 16403 1 420 . 1 1 40 40 THR CG2 C 13 21.616 0.400 . 1 . . . . 36 THR CG2 . 16403 1 421 . 1 1 40 40 THR N N 15 114.335 0.400 . 1 . . . . 36 THR N . 16403 1 422 . 1 1 41 41 SER C C 13 174.129 0.400 . 1 . . . . 37 SER C . 16403 1 423 . 1 1 41 41 SER CA C 13 60.964 0.400 . 1 . . . . 37 SER CA . 16403 1 424 . 1 1 41 41 SER CB C 13 63.605 0.400 . 1 . . . . 37 SER CB . 16403 1 425 . 1 1 42 42 LEU H H 1 8.643 0.020 . 1 . . . . 38 LEU H . 16403 1 426 . 1 1 42 42 LEU HA H 1 4.679 0.020 . 1 . . . . 38 LEU HA . 16403 1 427 . 1 1 42 42 LEU HB2 H 1 1.890 0.020 . 2 . . . . 38 LEU HB2 . 16403 1 428 . 1 1 42 42 LEU HB3 H 1 1.890 0.020 . 2 . . . . 38 LEU HB3 . 16403 1 429 . 1 1 42 42 LEU HD11 H 1 0.917 0.020 . 2 . . . . 38 LEU HD1 . 16403 1 430 . 1 1 42 42 LEU HD12 H 1 0.917 0.020 . 2 . . . . 38 LEU HD1 . 16403 1 431 . 1 1 42 42 LEU HD13 H 1 0.917 0.020 . 2 . . . . 38 LEU HD1 . 16403 1 432 . 1 1 42 42 LEU HD21 H 1 0.917 0.020 . 2 . . . . 38 LEU HD2 . 16403 1 433 . 1 1 42 42 LEU HD22 H 1 0.917 0.020 . 2 . . . . 38 LEU HD2 . 16403 1 434 . 1 1 42 42 LEU HD23 H 1 0.917 0.020 . 2 . . . . 38 LEU HD2 . 16403 1 435 . 1 1 42 42 LEU HG H 1 1.740 0.020 . 1 . . . . 38 LEU HG . 16403 1 436 . 1 1 42 42 LEU C C 13 176.347 0.400 . 1 . . . . 38 LEU C . 16403 1 437 . 1 1 42 42 LEU CA C 13 54.842 0.400 . 1 . . . . 38 LEU CA . 16403 1 438 . 1 1 42 42 LEU CB C 13 41.117 0.400 . 1 . . . . 38 LEU CB . 16403 1 439 . 1 1 42 42 LEU N N 15 121.245 0.400 . 1 . . . . 38 LEU N . 16403 1 440 . 1 1 43 43 ARG H H 1 7.583 0.020 . 1 . . . . 39 ARG H . 16403 1 441 . 1 1 43 43 ARG HA H 1 4.173 0.020 . 1 . . . . 39 ARG HA . 16403 1 442 . 1 1 43 43 ARG HB2 H 1 1.842 0.020 . 2 . . . . 39 ARG HB2 . 16403 1 443 . 1 1 43 43 ARG HB3 H 1 1.701 0.020 . 2 . . . . 39 ARG HB3 . 16403 1 444 . 1 1 43 43 ARG HD2 H 1 3.305 0.020 . 2 . . . . 39 ARG HD2 . 16403 1 445 . 1 1 43 43 ARG HD3 H 1 3.305 0.020 . 2 . . . . 39 ARG HD3 . 16403 1 446 . 1 1 43 43 ARG HG2 H 1 0.978 0.020 . 2 . . . . 39 ARG HG2 . 16403 1 447 . 1 1 43 43 ARG HG3 H 1 0.864 0.020 . 2 . . . . 39 ARG HG3 . 16403 1 448 . 1 1 43 43 ARG C C 13 175.925 0.400 . 1 . . . . 39 ARG C . 16403 1 449 . 1 1 43 43 ARG CA C 13 60.907 0.400 . 1 . . . . 39 ARG CA . 16403 1 450 . 1 1 43 43 ARG N N 15 123.341 0.400 . 1 . . . . 39 ARG N . 16403 1 451 . 1 1 44 44 GLN H H 1 8.203 0.020 . 1 . . . . 40 GLN H . 16403 1 452 . 1 1 44 44 GLN HA H 1 3.974 0.020 . 1 . . . . 40 GLN HA . 16403 1 453 . 1 1 44 44 GLN HB2 H 1 2.094 0.020 . 2 . . . . 40 GLN HB2 . 16403 1 454 . 1 1 44 44 GLN HB3 H 1 2.077 0.020 . 2 . . . . 40 GLN HB3 . 16403 1 455 . 1 1 44 44 GLN HE21 H 1 7.395 0.020 . 2 . . . . 40 GLN HE21 . 16403 1 456 . 1 1 44 44 GLN HE22 H 1 6.786 0.020 . 2 . . . . 40 GLN HE22 . 16403 1 457 . 1 1 44 44 GLN HG2 H 1 2.395 0.020 . 2 . . . . 40 GLN HG2 . 16403 1 458 . 1 1 44 44 GLN HG3 H 1 2.386 0.020 . 2 . . . . 40 GLN HG3 . 16403 1 459 . 1 1 44 44 GLN C C 13 175.608 0.400 . 1 . . . . 40 GLN C . 16403 1 460 . 1 1 44 44 GLN CA C 13 58.622 0.400 . 1 . . . . 40 GLN CA . 16403 1 461 . 1 1 44 44 GLN CB C 13 28.591 0.400 . 1 . . . . 40 GLN CB . 16403 1 462 . 1 1 44 44 GLN CD C 13 179.710 0.400 . 1 . . . . 40 GLN CD . 16403 1 463 . 1 1 44 44 GLN CG C 13 34.125 0.400 . 1 . . . . 40 GLN CG . 16403 1 464 . 1 1 44 44 GLN N N 15 114.940 0.400 . 1 . . . . 40 GLN N . 16403 1 465 . 1 1 44 44 GLN NE2 N 15 111.598 0.400 . 1 . . . . 40 GLN NE2 . 16403 1 466 . 1 1 45 45 GLU H H 1 7.616 0.020 . 1 . . . . 41 GLU H . 16403 1 467 . 1 1 45 45 GLU HA H 1 3.947 0.020 . 1 . . . . 41 GLU HA . 16403 1 468 . 1 1 45 45 GLU HB2 H 1 2.010 0.020 . 2 . . . . 41 GLU HB2 . 16403 1 469 . 1 1 45 45 GLU HB3 H 1 2.024 0.020 . 2 . . . . 41 GLU HB3 . 16403 1 470 . 1 1 45 45 GLU HG2 H 1 2.179 0.020 . 2 . . . . 41 GLU HG2 . 16403 1 471 . 1 1 45 45 GLU HG3 H 1 2.179 0.020 . 2 . . . . 41 GLU HG3 . 16403 1 472 . 1 1 45 45 GLU CA C 13 59.009 0.400 . 1 . . . . 41 GLU CA . 16403 1 473 . 1 1 45 45 GLU CB C 13 30.110 0.400 . 1 . . . . 41 GLU CB . 16403 1 474 . 1 1 45 45 GLU N N 15 120.916 0.400 . 1 . . . . 41 GLU N . 16403 1 475 . 1 1 46 46 MET H H 1 7.474 0.020 . 1 . . . . 42 MET H . 16403 1 476 . 1 1 46 46 MET HA H 1 4.778 0.020 . 1 . . . . 42 MET HA . 16403 1 477 . 1 1 46 46 MET HB2 H 1 2.756 0.020 . 2 . . . . 42 MET HB2 . 16403 1 478 . 1 1 46 46 MET HB3 H 1 2.756 0.020 . 2 . . . . 42 MET HB3 . 16403 1 479 . 1 1 46 46 MET HE1 H 1 2.064 0.020 . 1 . . . . 42 MET HE . 16403 1 480 . 1 1 46 46 MET HE2 H 1 2.064 0.020 . 1 . . . . 42 MET HE . 16403 1 481 . 1 1 46 46 MET HE3 H 1 2.064 0.020 . 1 . . . . 42 MET HE . 16403 1 482 . 1 1 46 46 MET HG3 H 1 1.811 0.020 . 2 . . . . 42 MET HG3 . 16403 1 483 . 1 1 46 46 MET C C 13 176.347 0.400 . 1 . . . . 42 MET C . 16403 1 484 . 1 1 46 46 MET CA C 13 59.567 0.400 . 1 . . . . 42 MET CA . 16403 1 485 . 1 1 46 46 MET CB C 13 30.294 0.400 . 1 . . . . 42 MET CB . 16403 1 486 . 1 1 46 46 MET CE C 13 17.140 0.400 . 1 . . . . 42 MET CE . 16403 1 487 . 1 1 46 46 MET N N 15 118.736 0.400 . 1 . . . . 42 MET N . 16403 1 488 . 1 1 47 47 VAL H H 1 8.006 0.020 . 1 . . . . 43 VAL H . 16403 1 489 . 1 1 47 47 VAL HA H 1 3.624 0.020 . 1 . . . . 43 VAL HA . 16403 1 490 . 1 1 47 47 VAL HB H 1 1.918 0.020 . 1 . . . . 43 VAL HB . 16403 1 491 . 1 1 47 47 VAL HG11 H 1 0.879 0.020 . 2 . . . . 43 VAL HG1 . 16403 1 492 . 1 1 47 47 VAL HG12 H 1 0.879 0.020 . 2 . . . . 43 VAL HG1 . 16403 1 493 . 1 1 47 47 VAL HG13 H 1 0.879 0.020 . 2 . . . . 43 VAL HG1 . 16403 1 494 . 1 1 47 47 VAL HG21 H 1 0.730 0.020 . 2 . . . . 43 VAL HG2 . 16403 1 495 . 1 1 47 47 VAL HG22 H 1 0.730 0.020 . 2 . . . . 43 VAL HG2 . 16403 1 496 . 1 1 47 47 VAL HG23 H 1 0.730 0.020 . 2 . . . . 43 VAL HG2 . 16403 1 497 . 1 1 47 47 VAL C C 13 176.911 0.400 . 1 . . . . 43 VAL C . 16403 1 498 . 1 1 47 47 VAL CA C 13 65.362 0.400 . 1 . . . . 43 VAL CA . 16403 1 499 . 1 1 47 47 VAL CB C 13 31.859 0.400 . 1 . . . . 43 VAL CB . 16403 1 500 . 1 1 47 47 VAL CG2 C 13 21.285 0.400 . 1 . . . . 43 VAL CG2 . 16403 1 501 . 1 1 47 47 VAL N N 15 116.804 0.400 . 1 . . . . 43 VAL N . 16403 1 502 . 1 1 48 48 GLN H H 1 7.935 0.020 . 1 . . . . 44 GLN H . 16403 1 503 . 1 1 48 48 GLN HA H 1 3.972 0.020 . 1 . . . . 44 GLN HA . 16403 1 504 . 1 1 48 48 GLN HB2 H 1 2.067 0.020 . 2 . . . . 44 GLN HB2 . 16403 1 505 . 1 1 48 48 GLN HB3 H 1 2.067 0.020 . 2 . . . . 44 GLN HB3 . 16403 1 506 . 1 1 48 48 GLN HE21 H 1 7.534 0.020 . 2 . . . . 44 GLN HE21 . 16403 1 507 . 1 1 48 48 GLN HE22 H 1 6.861 0.020 . 2 . . . . 44 GLN HE22 . 16403 1 508 . 1 1 48 48 GLN HG2 H 1 2.431 0.020 . 2 . . . . 44 GLN HG2 . 16403 1 509 . 1 1 48 48 GLN HG3 H 1 2.331 0.020 . 2 . . . . 44 GLN HG3 . 16403 1 510 . 1 1 48 48 GLN C C 13 178.636 0.400 . 1 . . . . 44 GLN C . 16403 1 511 . 1 1 48 48 GLN CA C 13 58.472 0.400 . 1 . . . . 44 GLN CA . 16403 1 512 . 1 1 48 48 GLN CB C 13 30.542 0.400 . 1 . . . . 44 GLN CB . 16403 1 513 . 1 1 48 48 GLN N N 15 117.704 0.400 . 1 . . . . 44 GLN N . 16403 1 514 . 1 1 48 48 GLN NE2 N 15 111.360 0.400 . 1 . . . . 44 GLN NE2 . 16403 1 515 . 1 1 49 49 ARG H H 1 8.100 0.020 . 1 . . . . 45 ARG H . 16403 1 516 . 1 1 49 49 ARG HA H 1 3.906 0.020 . 1 . . . . 45 ARG HA . 16403 1 517 . 1 1 49 49 ARG HB2 H 1 1.615 0.020 . 2 . . . . 45 ARG HB2 . 16403 1 518 . 1 1 49 49 ARG HB3 H 1 1.528 0.020 . 2 . . . . 45 ARG HB3 . 16403 1 519 . 1 1 49 49 ARG HG2 H 1 1.356 0.020 . 2 . . . . 45 ARG HG2 . 16403 1 520 . 1 1 49 49 ARG HG3 H 1 1.363 0.020 . 2 . . . . 45 ARG HG3 . 16403 1 521 . 1 1 49 49 ARG CA C 13 59.397 0.400 . 1 . . . . 45 ARG CA . 16403 1 522 . 1 1 49 49 ARG CB C 13 29.993 0.400 . 1 . . . . 45 ARG CB . 16403 1 523 . 1 1 49 49 ARG N N 15 120.984 0.400 . 1 . . . . 45 ARG N . 16403 1 524 . 1 1 50 50 ALA H H 1 8.279 0.020 . 1 . . . . 46 ALA H . 16403 1 525 . 1 1 50 50 ALA HA H 1 3.782 0.020 . 1 . . . . 46 ALA HA . 16403 1 526 . 1 1 50 50 ALA HB1 H 1 1.329 0.020 . 1 . . . . 46 ALA HB . 16403 1 527 . 1 1 50 50 ALA HB2 H 1 1.329 0.020 . 1 . . . . 46 ALA HB . 16403 1 528 . 1 1 50 50 ALA HB3 H 1 1.329 0.020 . 1 . . . . 46 ALA HB . 16403 1 529 . 1 1 50 50 ALA C C 13 178.073 0.400 . 1 . . . . 46 ALA C . 16403 1 530 . 1 1 50 50 ALA CA C 13 51.408 0.400 . 1 . . . . 46 ALA CA . 16403 1 531 . 1 1 50 50 ALA CB C 13 18.883 0.400 . 1 . . . . 46 ALA CB . 16403 1 532 . 1 1 50 50 ALA N N 15 118.254 0.400 . 1 . . . . 46 ALA N . 16403 1 533 . 1 1 51 51 ASN H H 1 7.706 0.020 . 1 . . . . 47 ASN H . 16403 1 534 . 1 1 51 51 ASN HA H 1 4.420 0.020 . 1 . . . . 47 ASN HA . 16403 1 535 . 1 1 51 51 ASN HB2 H 1 3.081 0.020 . 2 . . . . 47 ASN HB2 . 16403 1 536 . 1 1 51 51 ASN HB3 H 1 2.716 0.020 . 2 . . . . 47 ASN HB3 . 16403 1 537 . 1 1 51 51 ASN HD21 H 1 7.683 0.020 . 2 . . . . 47 ASN HD21 . 16403 1 538 . 1 1 51 51 ASN HD22 H 1 6.908 0.020 . 2 . . . . 47 ASN HD22 . 16403 1 539 . 1 1 51 51 ASN C C 13 174.974 0.400 . 1 . . . . 47 ASN C . 16403 1 540 . 1 1 51 51 ASN CA C 13 54.303 0.400 . 1 . . . . 47 ASN CA . 16403 1 541 . 1 1 51 51 ASN CB C 13 37.804 0.400 . 1 . . . . 47 ASN CB . 16403 1 542 . 1 1 51 51 ASN CG C 13 177.756 0.400 . 1 . . . . 47 ASN CG . 16403 1 543 . 1 1 51 51 ASN N N 15 115.277 0.400 . 1 . . . . 47 ASN N . 16403 1 544 . 1 1 51 51 ASN ND2 N 15 113.394 0.400 . 1 . . . . 47 ASN ND2 . 16403 1 545 . 1 1 52 52 GLY H H 1 8.702 0.020 . 1 . . . . 48 GLY H . 16403 1 546 . 1 1 52 52 GLY HA2 H 1 4.267 0.020 . 2 . . . . 48 GLY HA2 . 16403 1 547 . 1 1 52 52 GLY HA3 H 1 3.379 0.020 . 2 . . . . 48 GLY HA3 . 16403 1 548 . 1 1 52 52 GLY CA C 13 45.176 0.400 . 1 . . . . 48 GLY CA . 16403 1 549 . 1 1 52 52 GLY N N 15 104.035 0.400 . 1 . . . . 48 GLY N . 16403 1 550 . 1 1 53 53 ARG H H 1 7.116 0.020 . 1 . . . . 49 ARG H . 16403 1 551 . 1 1 53 53 ARG HA H 1 4.144 0.020 . 1 . . . . 49 ARG HA . 16403 1 552 . 1 1 53 53 ARG HB2 H 1 1.902 0.020 . 2 . . . . 49 ARG HB2 . 16403 1 553 . 1 1 53 53 ARG HB3 H 1 1.902 0.020 . 2 . . . . 49 ARG HB3 . 16403 1 554 . 1 1 53 53 ARG HD2 H 1 3.393 0.020 . 2 . . . . 49 ARG HD2 . 16403 1 555 . 1 1 53 53 ARG HD3 H 1 3.262 0.020 . 2 . . . . 49 ARG HD3 . 16403 1 556 . 1 1 53 53 ARG HG2 H 1 1.732 0.020 . 2 . . . . 49 ARG HG2 . 16403 1 557 . 1 1 53 53 ARG HG3 H 1 1.732 0.020 . 2 . . . . 49 ARG HG3 . 16403 1 558 . 1 1 53 53 ARG C C 13 176.101 0.400 . 1 . . . . 49 ARG C . 16403 1 559 . 1 1 53 53 ARG CA C 13 57.285 0.400 . 1 . . . . 49 ARG CA . 16403 1 560 . 1 1 53 53 ARG N N 15 121.384 0.400 . 1 . . . . 49 ARG N . 16403 1 561 . 1 1 54 54 ASN H H 1 7.958 0.020 . 1 . . . . 50 ASN H . 16403 1 562 . 1 1 54 54 ASN HA H 1 4.589 0.020 . 1 . . . . 50 ASN HA . 16403 1 563 . 1 1 54 54 ASN HB2 H 1 2.621 0.020 . 2 . . . . 50 ASN HB2 . 16403 1 564 . 1 1 54 54 ASN HB3 H 1 2.503 0.020 . 2 . . . . 50 ASN HB3 . 16403 1 565 . 1 1 54 54 ASN HD21 H 1 7.333 0.020 . 2 . . . . 50 ASN HD21 . 16403 1 566 . 1 1 54 54 ASN HD22 H 1 6.687 0.020 . 2 . . . . 50 ASN HD22 . 16403 1 567 . 1 1 54 54 ASN CA C 13 51.568 0.400 . 1 . . . . 50 ASN CA . 16403 1 568 . 1 1 54 54 ASN CB C 13 38.018 0.400 . 1 . . . . 50 ASN CB . 16403 1 569 . 1 1 54 54 ASN CG C 13 176.435 0.400 . 1 . . . . 50 ASN CG . 16403 1 570 . 1 1 54 54 ASN N N 15 116.546 0.400 . 1 . . . . 50 ASN N . 16403 1 571 . 1 1 54 54 ASN ND2 N 15 110.121 0.400 . 1 . . . . 50 ASN ND2 . 16403 1 572 . 1 1 55 55 THR H H 1 6.818 0.020 . 1 . . . . 51 THR H . 16403 1 573 . 1 1 55 55 THR HA H 1 4.283 0.020 . 1 . . . . 51 THR HA . 16403 1 574 . 1 1 55 55 THR HB H 1 4.579 0.020 . 1 . . . . 51 THR HB . 16403 1 575 . 1 1 55 55 THR HG21 H 1 1.087 0.020 . 1 . . . . 51 THR HG2 . 16403 1 576 . 1 1 55 55 THR HG22 H 1 1.087 0.020 . 1 . . . . 51 THR HG2 . 16403 1 577 . 1 1 55 55 THR HG23 H 1 1.087 0.020 . 1 . . . . 51 THR HG2 . 16403 1 578 . 1 1 55 55 THR C C 13 172.509 0.400 . 1 . . . . 51 THR C . 16403 1 579 . 1 1 55 55 THR CA C 13 59.829 0.400 . 1 . . . . 51 THR CA . 16403 1 580 . 1 1 55 55 THR CB C 13 70.400 0.400 . 1 . . . . 51 THR CB . 16403 1 581 . 1 1 55 55 THR CG2 C 13 21.536 0.400 . 1 . . . . 51 THR CG2 . 16403 1 582 . 1 1 55 55 THR N N 15 108.070 0.400 . 1 . . . . 51 THR N . 16403 1 583 . 1 1 56 56 PHE H H 1 8.444 0.020 . 1 . . . . 52 PHE H . 16403 1 584 . 1 1 56 56 PHE HA H 1 4.730 0.020 . 1 . . . . 52 PHE HA . 16403 1 585 . 1 1 56 56 PHE HB2 H 1 3.003 0.020 . 2 . . . . 52 PHE HB2 . 16403 1 586 . 1 1 56 56 PHE HB3 H 1 2.739 0.020 . 2 . . . . 52 PHE HB3 . 16403 1 587 . 1 1 56 56 PHE HD1 H 1 7.108 0.020 . 1 . . . . 52 PHE HD1 . 16403 1 588 . 1 1 56 56 PHE HD2 H 1 7.108 0.020 . 1 . . . . 52 PHE HD2 . 16403 1 589 . 1 1 56 56 PHE HE1 H 1 7.241 0.020 . 1 . . . . 52 PHE HE1 . 16403 1 590 . 1 1 56 56 PHE HE2 H 1 7.241 0.020 . 1 . . . . 52 PHE HE2 . 16403 1 591 . 1 1 56 56 PHE HZ H 1 6.864 0.020 . 1 . . . . 52 PHE HZ . 16403 1 592 . 1 1 56 56 PHE CA C 13 55.529 0.400 . 1 . . . . 52 PHE CA . 16403 1 593 . 1 1 56 56 PHE N N 15 116.926 0.400 . 1 . . . . 52 PHE N . 16403 1 594 . 1 1 57 57 PRO CA C 13 62.827 0.400 . 1 . . . . 53 PRO CA . 16403 1 595 . 1 1 57 57 PRO CB C 13 35.258 0.400 . 1 . . . . 53 PRO CB . 16403 1 596 . 1 1 58 58 GLN H H 1 8.070 0.020 . 1 . . . . 54 GLN H . 16403 1 597 . 1 1 58 58 GLN HA H 1 4.853 0.020 . 1 . . . . 54 GLN HA . 16403 1 598 . 1 1 58 58 GLN HB2 H 1 1.860 0.020 . 2 . . . . 54 GLN HB2 . 16403 1 599 . 1 1 58 58 GLN HB3 H 1 1.860 0.020 . 2 . . . . 54 GLN HB3 . 16403 1 600 . 1 1 58 58 GLN HE21 H 1 7.518 0.020 . 2 . . . . 54 GLN HE21 . 16403 1 601 . 1 1 58 58 GLN HE22 H 1 5.779 0.020 . 2 . . . . 54 GLN HE22 . 16403 1 602 . 1 1 58 58 GLN HG2 H 1 2.070 0.020 . 2 . . . . 54 GLN HG2 . 16403 1 603 . 1 1 58 58 GLN HG3 H 1 2.070 0.020 . 2 . . . . 54 GLN HG3 . 16403 1 604 . 1 1 58 58 GLN C C 13 175.291 0.400 . 1 . . . . 54 GLN C . 16403 1 605 . 1 1 58 58 GLN CA C 13 55.071 0.400 . 1 . . . . 54 GLN CA . 16403 1 606 . 1 1 58 58 GLN CB C 13 32.237 0.400 . 1 . . . . 54 GLN CB . 16403 1 607 . 1 1 58 58 GLN N N 15 113.697 0.400 . 1 . . . . 54 GLN N . 16403 1 608 . 1 1 58 58 GLN NE2 N 15 113.307 0.400 . 1 . . . . 54 GLN NE2 . 16403 1 609 . 1 1 59 59 ILE H H 1 8.753 0.020 . 1 . . . . 55 ILE H . 16403 1 610 . 1 1 59 59 ILE HA H 1 5.089 0.020 . 1 . . . . 55 ILE HA . 16403 1 611 . 1 1 59 59 ILE HB H 1 1.425 0.020 . 1 . . . . 55 ILE HB . 16403 1 612 . 1 1 59 59 ILE HD11 H 1 0.659 0.020 . 1 . . . . 55 ILE HD1 . 16403 1 613 . 1 1 59 59 ILE HD12 H 1 0.659 0.020 . 1 . . . . 55 ILE HD1 . 16403 1 614 . 1 1 59 59 ILE HD13 H 1 0.659 0.020 . 1 . . . . 55 ILE HD1 . 16403 1 615 . 1 1 59 59 ILE HG12 H 1 0.874 0.020 . 2 . . . . 55 ILE HG12 . 16403 1 616 . 1 1 59 59 ILE HG13 H 1 0.806 0.020 . 2 . . . . 55 ILE HG13 . 16403 1 617 . 1 1 59 59 ILE HG21 H 1 0.706 0.020 . 1 . . . . 55 ILE HG2 . 16403 1 618 . 1 1 59 59 ILE HG22 H 1 0.706 0.020 . 1 . . . . 55 ILE HG2 . 16403 1 619 . 1 1 59 59 ILE HG23 H 1 0.706 0.020 . 1 . . . . 55 ILE HG2 . 16403 1 620 . 1 1 59 59 ILE C C 13 174.164 0.400 . 1 . . . . 55 ILE C . 16403 1 621 . 1 1 59 59 ILE CA C 13 61.194 0.400 . 1 . . . . 55 ILE CA . 16403 1 622 . 1 1 59 59 ILE CB C 13 40.657 0.400 . 1 . . . . 55 ILE CB . 16403 1 623 . 1 1 59 59 ILE CD1 C 13 15.963 0.400 . 1 . . . . 55 ILE CD1 . 16403 1 624 . 1 1 59 59 ILE CG2 C 13 12.938 0.400 . 1 . . . . 55 ILE CG2 . 16403 1 625 . 1 1 59 59 ILE N N 15 122.202 0.400 . 1 . . . . 55 ILE N . 16403 1 626 . 1 1 60 60 PHE H H 1 9.564 0.020 . 1 . . . . 56 PHE H . 16403 1 627 . 1 1 60 60 PHE HA H 1 5.390 0.020 . 1 . . . . 56 PHE HA . 16403 1 628 . 1 1 60 60 PHE HB2 H 1 3.258 0.020 . 2 . . . . 56 PHE HB2 . 16403 1 629 . 1 1 60 60 PHE HB3 H 1 3.003 0.020 . 2 . . . . 56 PHE HB3 . 16403 1 630 . 1 1 60 60 PHE HD1 H 1 7.209 0.020 . 1 . . . . 56 PHE HD1 . 16403 1 631 . 1 1 60 60 PHE HD2 H 1 7.209 0.020 . 1 . . . . 56 PHE HD2 . 16403 1 632 . 1 1 60 60 PHE HE1 H 1 7.094 0.020 . 1 . . . . 56 PHE HE1 . 16403 1 633 . 1 1 60 60 PHE HE2 H 1 7.094 0.020 . 1 . . . . 56 PHE HE2 . 16403 1 634 . 1 1 60 60 PHE HZ H 1 6.360 0.020 . 1 . . . . 56 PHE HZ . 16403 1 635 . 1 1 60 60 PHE C C 13 174.305 0.400 . 1 . . . . 56 PHE C . 16403 1 636 . 1 1 60 60 PHE CA C 13 56.614 0.400 . 1 . . . . 56 PHE CA . 16403 1 637 . 1 1 60 60 PHE CB C 13 42.488 0.400 . 1 . . . . 56 PHE CB . 16403 1 638 . 1 1 60 60 PHE N N 15 127.604 0.400 . 1 . . . . 56 PHE N . 16403 1 639 . 1 1 61 61 ILE H H 1 9.231 0.020 . 1 . . . . 57 ILE H . 16403 1 640 . 1 1 61 61 ILE HA H 1 4.483 0.020 . 1 . . . . 57 ILE HA . 16403 1 641 . 1 1 61 61 ILE HB H 1 1.807 0.020 . 1 . . . . 57 ILE HB . 16403 1 642 . 1 1 61 61 ILE HD11 H 1 0.645 0.020 . 1 . . . . 57 ILE HD1 . 16403 1 643 . 1 1 61 61 ILE HD12 H 1 0.645 0.020 . 1 . . . . 57 ILE HD1 . 16403 1 644 . 1 1 61 61 ILE HD13 H 1 0.645 0.020 . 1 . . . . 57 ILE HD1 . 16403 1 645 . 1 1 61 61 ILE HG12 H 1 1.539 0.020 . 2 . . . . 57 ILE HG12 . 16403 1 646 . 1 1 61 61 ILE HG13 H 1 0.936 0.020 . 2 . . . . 57 ILE HG13 . 16403 1 647 . 1 1 61 61 ILE HG21 H 1 0.787 0.020 . 1 . . . . 57 ILE HG2 . 16403 1 648 . 1 1 61 61 ILE HG22 H 1 0.787 0.020 . 1 . . . . 57 ILE HG2 . 16403 1 649 . 1 1 61 61 ILE HG23 H 1 0.787 0.020 . 1 . . . . 57 ILE HG2 . 16403 1 650 . 1 1 61 61 ILE C C 13 176.418 0.400 . 1 . . . . 57 ILE C . 16403 1 651 . 1 1 61 61 ILE CA C 13 60.800 0.400 . 1 . . . . 57 ILE CA . 16403 1 652 . 1 1 61 61 ILE CB C 13 39.431 0.400 . 1 . . . . 57 ILE CB . 16403 1 653 . 1 1 61 61 ILE CD1 C 13 14.623 0.400 . 1 . . . . 57 ILE CD1 . 16403 1 654 . 1 1 61 61 ILE CG1 C 13 25.317 0.400 . 1 . . . . 57 ILE CG1 . 16403 1 655 . 1 1 61 61 ILE CG2 C 13 17.611 0.400 . 1 . . . . 57 ILE CG2 . 16403 1 656 . 1 1 61 61 ILE N N 15 121.606 0.400 . 1 . . . . 57 ILE N . 16403 1 657 . 1 1 62 62 GLY H H 1 9.118 0.020 . 1 . . . . 58 GLY H . 16403 1 658 . 1 1 62 62 GLY HA2 H 1 4.092 0.020 . 2 . . . . 58 GLY HA2 . 16403 1 659 . 1 1 62 62 GLY HA3 H 1 3.951 0.020 . 2 . . . . 58 GLY HA3 . 16403 1 660 . 1 1 62 62 GLY C C 13 174.058 0.400 . 1 . . . . 58 GLY C . 16403 1 661 . 1 1 62 62 GLY CA C 13 47.516 0.400 . 1 . . . . 58 GLY CA . 16403 1 662 . 1 1 62 62 GLY N N 15 118.483 0.400 . 1 . . . . 58 GLY N . 16403 1 663 . 1 1 63 63 ASP H H 1 8.944 0.020 . 1 . . . . 59 ASP H . 16403 1 664 . 1 1 63 63 ASP HA H 1 4.762 0.020 . 1 . . . . 59 ASP HA . 16403 1 665 . 1 1 63 63 ASP HB2 H 1 2.856 0.020 . 2 . . . . 59 ASP HB2 . 16403 1 666 . 1 1 63 63 ASP HB3 H 1 2.765 0.020 . 2 . . . . 59 ASP HB3 . 16403 1 667 . 1 1 63 63 ASP C C 13 175.220 0.400 . 1 . . . . 59 ASP C . 16403 1 668 . 1 1 63 63 ASP CA C 13 54.467 0.400 . 1 . . . . 59 ASP CA . 16403 1 669 . 1 1 63 63 ASP CB C 13 40.913 0.400 . 1 . . . . 59 ASP CB . 16403 1 670 . 1 1 63 63 ASP N N 15 125.981 0.400 . 1 . . . . 59 ASP N . 16403 1 671 . 1 1 64 64 TYR H H 1 8.332 0.020 . 1 . . . . 60 TYR H . 16403 1 672 . 1 1 64 64 TYR HA H 1 4.600 0.020 . 1 . . . . 60 TYR HA . 16403 1 673 . 1 1 64 64 TYR HB2 H 1 3.441 0.020 . 2 . . . . 60 TYR HB2 . 16403 1 674 . 1 1 64 64 TYR HB3 H 1 3.061 0.020 . 2 . . . . 60 TYR HB3 . 16403 1 675 . 1 1 64 64 TYR HD1 H 1 6.975 0.020 . 1 . . . . 60 TYR HD1 . 16403 1 676 . 1 1 64 64 TYR HD2 H 1 6.975 0.020 . 1 . . . . 60 TYR HD2 . 16403 1 677 . 1 1 64 64 TYR HE1 H 1 6.694 0.020 . 1 . . . . 60 TYR HE1 . 16403 1 678 . 1 1 64 64 TYR HE2 H 1 6.694 0.020 . 1 . . . . 60 TYR HE2 . 16403 1 679 . 1 1 64 64 TYR C C 13 174.023 0.400 . 1 . . . . 60 TYR C . 16403 1 680 . 1 1 64 64 TYR CA C 13 57.761 0.400 . 1 . . . . 60 TYR CA . 16403 1 681 . 1 1 64 64 TYR CB C 13 33.473 0.400 . 1 . . . . 60 TYR CB . 16403 1 682 . 1 1 64 64 TYR N N 15 122.443 0.400 . 1 . . . . 60 TYR N . 16403 1 683 . 1 1 65 65 HIS H H 1 8.625 0.020 . 1 . . . . 61 HIS H . 16403 1 684 . 1 1 65 65 HIS HA H 1 4.200 0.020 . 1 . . . . 61 HIS HA . 16403 1 685 . 1 1 65 65 HIS HB2 H 1 2.979 0.020 . 2 . . . . 61 HIS HB2 . 16403 1 686 . 1 1 65 65 HIS HB3 H 1 2.839 0.020 . 2 . . . . 61 HIS HB3 . 16403 1 687 . 1 1 65 65 HIS HD2 H 1 7.229 0.020 . 1 . . . . 61 HIS HD2 . 16403 1 688 . 1 1 65 65 HIS HE1 H 1 8.807 0.020 . 1 . . . . 61 HIS HE1 . 16403 1 689 . 1 1 65 65 HIS C C 13 171.910 0.400 . 1 . . . . 61 HIS C . 16403 1 690 . 1 1 65 65 HIS CA C 13 53.347 0.400 . 1 . . . . 61 HIS CA . 16403 1 691 . 1 1 65 65 HIS CB C 13 28.830 0.400 . 1 . . . . 61 HIS CB . 16403 1 692 . 1 1 65 65 HIS N N 15 129.863 0.400 . 1 . . . . 61 HIS N . 16403 1 693 . 1 1 66 66 VAL H H 1 8.059 0.020 . 1 . . . . 62 VAL H . 16403 1 694 . 1 1 66 66 VAL HA H 1 3.316 0.020 . 1 . . . . 62 VAL HA . 16403 1 695 . 1 1 66 66 VAL HB H 1 1.604 0.020 . 1 . . . . 62 VAL HB . 16403 1 696 . 1 1 66 66 VAL HG11 H 1 0.859 0.020 . 2 . . . . 62 VAL HG1 . 16403 1 697 . 1 1 66 66 VAL HG12 H 1 0.859 0.020 . 2 . . . . 62 VAL HG1 . 16403 1 698 . 1 1 66 66 VAL HG13 H 1 0.859 0.020 . 2 . . . . 62 VAL HG1 . 16403 1 699 . 1 1 66 66 VAL HG21 H 1 0.599 0.020 . 2 . . . . 62 VAL HG2 . 16403 1 700 . 1 1 66 66 VAL HG22 H 1 0.599 0.020 . 2 . . . . 62 VAL HG2 . 16403 1 701 . 1 1 66 66 VAL HG23 H 1 0.599 0.020 . 2 . . . . 62 VAL HG2 . 16403 1 702 . 1 1 66 66 VAL CA C 13 64.194 0.400 . 1 . . . . 62 VAL CA . 16403 1 703 . 1 1 66 66 VAL CB C 13 32.770 0.400 . 1 . . . . 62 VAL CB . 16403 1 704 . 1 1 66 66 VAL CG2 C 13 20.213 0.400 . 1 . . . . 62 VAL CG2 . 16403 1 705 . 1 1 66 66 VAL N N 15 129.219 0.400 . 1 . . . . 62 VAL N . 16403 1 706 . 1 1 67 67 GLY H H 1 6.327 0.020 . 1 . . . . 63 GLY H . 16403 1 707 . 1 1 67 67 GLY HA2 H 1 4.503 0.020 . 2 . . . . 63 GLY HA2 . 16403 1 708 . 1 1 67 67 GLY HA3 H 1 2.870 0.020 . 2 . . . . 63 GLY HA3 . 16403 1 709 . 1 1 67 67 GLY C C 13 172.156 0.400 . 1 . . . . 63 GLY C . 16403 1 710 . 1 1 67 67 GLY CA C 13 43.551 0.400 . 1 . . . . 63 GLY CA . 16403 1 711 . 1 1 67 67 GLY N N 15 102.548 0.400 . 1 . . . . 63 GLY N . 16403 1 712 . 1 1 68 68 GLY H H 1 9.095 0.020 . 1 . . . . 64 GLY H . 16403 1 713 . 1 1 68 68 GLY HA2 H 1 4.863 0.020 . 2 . . . . 64 GLY HA2 . 16403 1 714 . 1 1 68 68 GLY HA3 H 1 3.821 0.020 . 2 . . . . 64 GLY HA3 . 16403 1 715 . 1 1 68 68 GLY C C 13 172.509 0.400 . 1 . . . . 64 GLY C . 16403 1 716 . 1 1 68 68 GLY CA C 13 43.870 0.400 . 1 . . . . 64 GLY CA . 16403 1 717 . 1 1 68 68 GLY N N 15 110.080 0.400 . 1 . . . . 64 GLY N . 16403 1 718 . 1 1 69 69 CYS H H 1 8.398 0.020 . 1 . . . . 65 CYS H . 16403 1 719 . 1 1 69 69 CYS HA H 1 3.846 0.020 . 1 . . . . 65 CYS HA . 16403 1 720 . 1 1 69 69 CYS HB2 H 1 3.264 0.020 . 2 . . . . 65 CYS HB2 . 16403 1 721 . 1 1 69 69 CYS HB3 H 1 2.693 0.020 . 2 . . . . 65 CYS HB3 . 16403 1 722 . 1 1 69 69 CYS C C 13 173.741 0.400 . 1 . . . . 65 CYS C . 16403 1 723 . 1 1 69 69 CYS CA C 13 62.944 0.400 . 1 . . . . 65 CYS CA . 16403 1 724 . 1 1 69 69 CYS CB C 13 45.022 0.400 . 1 . . . . 65 CYS CB . 16403 1 725 . 1 1 69 69 CYS N N 15 118.292 0.400 . 1 . . . . 65 CYS N . 16403 1 726 . 1 1 70 70 ASP H H 1 9.110 0.020 . 1 . . . . 66 ASP H . 16403 1 727 . 1 1 70 70 ASP HA H 1 5.745 0.020 . 1 . . . . 66 ASP HA . 16403 1 728 . 1 1 70 70 ASP HB2 H 1 3.115 0.020 . 2 . . . . 66 ASP HB2 . 16403 1 729 . 1 1 70 70 ASP HB3 H 1 3.020 0.020 . 2 . . . . 66 ASP HB3 . 16403 1 730 . 1 1 70 70 ASP C C 13 178.777 0.400 . 1 . . . . 66 ASP C . 16403 1 731 . 1 1 70 70 ASP CA C 13 57.437 0.400 . 1 . . . . 66 ASP CA . 16403 1 732 . 1 1 70 70 ASP CB C 13 40.016 0.400 . 1 . . . . 66 ASP CB . 16403 1 733 . 1 1 70 70 ASP N N 15 123.178 0.400 . 1 . . . . 66 ASP N . 16403 1 734 . 1 1 71 71 ASP H H 1 7.301 0.020 . 1 . . . . 67 ASP H . 16403 1 735 . 1 1 71 71 ASP HA H 1 4.362 0.020 . 1 . . . . 67 ASP HA . 16403 1 736 . 1 1 71 71 ASP HB2 H 1 2.617 0.020 . 2 . . . . 67 ASP HB2 . 16403 1 737 . 1 1 71 71 ASP HB3 H 1 2.617 0.020 . 2 . . . . 67 ASP HB3 . 16403 1 738 . 1 1 71 71 ASP C C 13 177.474 0.400 . 1 . . . . 67 ASP C . 16403 1 739 . 1 1 71 71 ASP CA C 13 57.381 0.400 . 1 . . . . 67 ASP CA . 16403 1 740 . 1 1 71 71 ASP CB C 13 41.503 0.400 . 1 . . . . 67 ASP CB . 16403 1 741 . 1 1 71 71 ASP N N 15 119.848 0.400 . 1 . . . . 67 ASP N . 16403 1 742 . 1 1 72 72 LEU H H 1 7.805 0.020 . 1 . . . . 68 LEU H . 16403 1 743 . 1 1 72 72 LEU HA H 1 3.822 0.020 . 1 . . . . 68 LEU HA . 16403 1 744 . 1 1 72 72 LEU HB2 H 1 2.266 0.020 . 2 . . . . 68 LEU HB2 . 16403 1 745 . 1 1 72 72 LEU HB3 H 1 1.434 0.020 . 2 . . . . 68 LEU HB3 . 16403 1 746 . 1 1 72 72 LEU HD11 H 1 0.834 0.020 . 2 . . . . 68 LEU HD1 . 16403 1 747 . 1 1 72 72 LEU HD12 H 1 0.834 0.020 . 2 . . . . 68 LEU HD1 . 16403 1 748 . 1 1 72 72 LEU HD13 H 1 0.834 0.020 . 2 . . . . 68 LEU HD1 . 16403 1 749 . 1 1 72 72 LEU HD21 H 1 0.561 0.020 . 2 . . . . 68 LEU HD2 . 16403 1 750 . 1 1 72 72 LEU HD22 H 1 0.561 0.020 . 2 . . . . 68 LEU HD2 . 16403 1 751 . 1 1 72 72 LEU HD23 H 1 0.561 0.020 . 2 . . . . 68 LEU HD2 . 16403 1 752 . 1 1 72 72 LEU HG H 1 1.340 0.020 . 1 . . . . 68 LEU HG . 16403 1 753 . 1 1 72 72 LEU C C 13 177.509 0.400 . 1 . . . . 68 LEU C . 16403 1 754 . 1 1 72 72 LEU CA C 13 58.446 0.400 . 1 . . . . 68 LEU CA . 16403 1 755 . 1 1 72 72 LEU CB C 13 42.524 0.400 . 1 . . . . 68 LEU CB . 16403 1 756 . 1 1 72 72 LEU CD2 C 13 23.008 0.400 . 1 . . . . 68 LEU CD2 . 16403 1 757 . 1 1 72 72 LEU N N 15 121.720 0.400 . 1 . . . . 68 LEU N . 16403 1 758 . 1 1 73 73 TYR H H 1 8.229 0.020 . 1 . . . . 69 TYR H . 16403 1 759 . 1 1 73 73 TYR HA H 1 3.772 0.020 . 1 . . . . 69 TYR HA . 16403 1 760 . 1 1 73 73 TYR HB2 H 1 2.989 0.020 . 2 . . . . 69 TYR HB2 . 16403 1 761 . 1 1 73 73 TYR HB3 H 1 2.942 0.020 . 2 . . . . 69 TYR HB3 . 16403 1 762 . 1 1 73 73 TYR HD1 H 1 7.424 0.020 . 1 . . . . 69 TYR HD1 . 16403 1 763 . 1 1 73 73 TYR HD2 H 1 7.424 0.020 . 1 . . . . 69 TYR HD2 . 16403 1 764 . 1 1 73 73 TYR HE1 H 1 6.629 0.020 . 1 . . . . 69 TYR HE1 . 16403 1 765 . 1 1 73 73 TYR HE2 H 1 6.629 0.020 . 1 . . . . 69 TYR HE2 . 16403 1 766 . 1 1 73 73 TYR C C 13 177.721 0.400 . 1 . . . . 69 TYR C . 16403 1 767 . 1 1 73 73 TYR CA C 13 62.867 0.400 . 1 . . . . 69 TYR CA . 16403 1 768 . 1 1 73 73 TYR CB C 13 38.215 0.400 . 1 . . . . 69 TYR CB . 16403 1 769 . 1 1 73 73 TYR N N 15 116.501 0.400 . 1 . . . . 69 TYR N . 16403 1 770 . 1 1 74 74 ALA H H 1 8.275 0.020 . 1 . . . . 70 ALA H . 16403 1 771 . 1 1 74 74 ALA HA H 1 4.286 0.020 . 1 . . . . 70 ALA HA . 16403 1 772 . 1 1 74 74 ALA HB1 H 1 1.538 0.020 . 1 . . . . 70 ALA HB . 16403 1 773 . 1 1 74 74 ALA HB2 H 1 1.538 0.020 . 1 . . . . 70 ALA HB . 16403 1 774 . 1 1 74 74 ALA HB3 H 1 1.538 0.020 . 1 . . . . 70 ALA HB . 16403 1 775 . 1 1 74 74 ALA C C 13 180.045 0.400 . 1 . . . . 70 ALA C . 16403 1 776 . 1 1 74 74 ALA CA C 13 55.701 0.400 . 1 . . . . 70 ALA CA . 16403 1 777 . 1 1 74 74 ALA CB C 13 17.944 0.400 . 1 . . . . 70 ALA CB . 16403 1 778 . 1 1 74 74 ALA N N 15 122.883 0.400 . 1 . . . . 70 ALA N . 16403 1 779 . 1 1 75 75 LEU H H 1 7.558 0.020 . 1 . . . . 71 LEU H . 16403 1 780 . 1 1 75 75 LEU HA H 1 3.975 0.020 . 1 . . . . 71 LEU HA . 16403 1 781 . 1 1 75 75 LEU HB2 H 1 2.130 0.020 . 2 . . . . 71 LEU HB2 . 16403 1 782 . 1 1 75 75 LEU HB3 H 1 1.038 0.020 . 2 . . . . 71 LEU HB3 . 16403 1 783 . 1 1 75 75 LEU HD11 H 1 0.926 0.020 . 2 . . . . 71 LEU HD1 . 16403 1 784 . 1 1 75 75 LEU HD12 H 1 0.926 0.020 . 2 . . . . 71 LEU HD1 . 16403 1 785 . 1 1 75 75 LEU HD13 H 1 0.926 0.020 . 2 . . . . 71 LEU HD1 . 16403 1 786 . 1 1 75 75 LEU HD21 H 1 0.817 0.020 . 2 . . . . 71 LEU HD2 . 16403 1 787 . 1 1 75 75 LEU HD22 H 1 0.817 0.020 . 2 . . . . 71 LEU HD2 . 16403 1 788 . 1 1 75 75 LEU HD23 H 1 0.817 0.020 . 2 . . . . 71 LEU HD2 . 16403 1 789 . 1 1 75 75 LEU HG H 1 1.941 0.020 . 1 . . . . 71 LEU HG . 16403 1 790 . 1 1 75 75 LEU C C 13 179.024 0.400 . 1 . . . . 71 LEU C . 16403 1 791 . 1 1 75 75 LEU CA C 13 57.994 0.400 . 1 . . . . 71 LEU CA . 16403 1 792 . 1 1 75 75 LEU CB C 13 42.836 0.400 . 1 . . . . 71 LEU CB . 16403 1 793 . 1 1 75 75 LEU N N 15 117.133 0.400 . 1 . . . . 71 LEU N . 16403 1 794 . 1 1 76 76 GLU H H 1 7.587 0.020 . 1 . . . . 72 GLU H . 16403 1 795 . 1 1 76 76 GLU HA H 1 4.473 0.020 . 1 . . . . 72 GLU HA . 16403 1 796 . 1 1 76 76 GLU HB2 H 1 1.874 0.020 . 2 . . . . 72 GLU HB2 . 16403 1 797 . 1 1 76 76 GLU HB3 H 1 1.890 0.020 . 2 . . . . 72 GLU HB3 . 16403 1 798 . 1 1 76 76 GLU HG2 H 1 2.256 0.020 . 2 . . . . 72 GLU HG2 . 16403 1 799 . 1 1 76 76 GLU HG3 H 1 2.114 0.020 . 2 . . . . 72 GLU HG3 . 16403 1 800 . 1 1 76 76 GLU C C 13 179.270 0.400 . 1 . . . . 72 GLU C . 16403 1 801 . 1 1 76 76 GLU CA C 13 58.296 0.400 . 1 . . . . 72 GLU CA . 16403 1 802 . 1 1 76 76 GLU CB C 13 28.457 0.400 . 1 . . . . 72 GLU CB . 16403 1 803 . 1 1 76 76 GLU N N 15 121.576 0.400 . 1 . . . . 72 GLU N . 16403 1 804 . 1 1 77 77 ASN H H 1 8.863 0.020 . 1 . . . . 73 ASN H . 16403 1 805 . 1 1 77 77 ASN HA H 1 4.511 0.020 . 1 . . . . 73 ASN HA . 16403 1 806 . 1 1 77 77 ASN HB2 H 1 2.952 0.020 . 2 . . . . 73 ASN HB2 . 16403 1 807 . 1 1 77 77 ASN HB3 H 1 2.950 0.020 . 2 . . . . 73 ASN HB3 . 16403 1 808 . 1 1 77 77 ASN HD21 H 1 7.680 0.020 . 2 . . . . 73 ASN HD21 . 16403 1 809 . 1 1 77 77 ASN HD22 H 1 7.010 0.020 . 2 . . . . 73 ASN HD22 . 16403 1 810 . 1 1 77 77 ASN C C 13 176.664 0.400 . 1 . . . . 73 ASN C . 16403 1 811 . 1 1 77 77 ASN CA C 13 55.944 0.400 . 1 . . . . 73 ASN CA . 16403 1 812 . 1 1 77 77 ASN CB C 13 38.660 0.400 . 1 . . . . 73 ASN CB . 16403 1 813 . 1 1 77 77 ASN CG C 13 177.439 0.400 . 1 . . . . 73 ASN CG . 16403 1 814 . 1 1 77 77 ASN N N 15 120.232 0.400 . 1 . . . . 73 ASN N . 16403 1 815 . 1 1 77 77 ASN ND2 N 15 112.075 0.400 . 1 . . . . 73 ASN ND2 . 16403 1 816 . 1 1 78 78 LYS H H 1 7.617 0.020 . 1 . . . . 74 LYS H . 16403 1 817 . 1 1 78 78 LYS HA H 1 4.426 0.020 . 1 . . . . 74 LYS HA . 16403 1 818 . 1 1 78 78 LYS HB2 H 1 2.054 0.020 . 2 . . . . 74 LYS HB2 . 16403 1 819 . 1 1 78 78 LYS HB3 H 1 2.054 0.020 . 2 . . . . 74 LYS HB3 . 16403 1 820 . 1 1 78 78 LYS HD2 H 1 1.782 0.020 . 2 . . . . 74 LYS HD2 . 16403 1 821 . 1 1 78 78 LYS HD3 H 1 1.782 0.020 . 2 . . . . 74 LYS HD3 . 16403 1 822 . 1 1 78 78 LYS HE2 H 1 2.966 0.020 . 2 . . . . 74 LYS HE2 . 16403 1 823 . 1 1 78 78 LYS HE3 H 1 2.966 0.020 . 2 . . . . 74 LYS HE3 . 16403 1 824 . 1 1 78 78 LYS HG2 H 1 1.612 0.020 . 2 . . . . 74 LYS HG2 . 16403 1 825 . 1 1 78 78 LYS HG3 H 1 1.612 0.020 . 2 . . . . 74 LYS HG3 . 16403 1 826 . 1 1 78 78 LYS C C 13 176.312 0.400 . 1 . . . . 74 LYS C . 16403 1 827 . 1 1 78 78 LYS CA C 13 55.863 0.400 . 1 . . . . 74 LYS CA . 16403 1 828 . 1 1 78 78 LYS CB C 13 33.482 0.400 . 1 . . . . 74 LYS CB . 16403 1 829 . 1 1 78 78 LYS N N 15 115.597 0.400 . 1 . . . . 74 LYS N . 16403 1 830 . 1 1 79 79 GLY H H 1 8.023 0.020 . 1 . . . . 75 GLY H . 16403 1 831 . 1 1 79 79 GLY HA2 H 1 4.060 0.020 . 2 . . . . 75 GLY HA2 . 16403 1 832 . 1 1 79 79 GLY HA3 H 1 4.060 0.020 . 2 . . . . 75 GLY HA3 . 16403 1 833 . 1 1 79 79 GLY C C 13 175.009 0.400 . 1 . . . . 75 GLY C . 16403 1 834 . 1 1 79 79 GLY CA C 13 46.234 0.400 . 1 . . . . 75 GLY CA . 16403 1 835 . 1 1 79 79 GLY N N 15 109.073 0.400 . 1 . . . . 75 GLY N . 16403 1 836 . 1 1 80 80 LYS H H 1 8.091 0.020 . 1 . . . . 76 LYS H . 16403 1 837 . 1 1 80 80 LYS HA H 1 4.422 0.020 . 1 . . . . 76 LYS HA . 16403 1 838 . 1 1 80 80 LYS HB2 H 1 1.961 0.020 . 2 . . . . 76 LYS HB2 . 16403 1 839 . 1 1 80 80 LYS HB3 H 1 1.953 0.020 . 2 . . . . 76 LYS HB3 . 16403 1 840 . 1 1 80 80 LYS HD2 H 1 1.609 0.020 . 2 . . . . 76 LYS HD2 . 16403 1 841 . 1 1 80 80 LYS HD3 H 1 1.609 0.020 . 2 . . . . 76 LYS HD3 . 16403 1 842 . 1 1 80 80 LYS HE2 H 1 2.956 0.020 . 2 . . . . 76 LYS HE2 . 16403 1 843 . 1 1 80 80 LYS HE3 H 1 2.956 0.020 . 2 . . . . 76 LYS HE3 . 16403 1 844 . 1 1 80 80 LYS HG2 H 1 1.428 0.020 . 2 . . . . 76 LYS HG2 . 16403 1 845 . 1 1 80 80 LYS HG3 H 1 1.344 0.020 . 2 . . . . 76 LYS HG3 . 16403 1 846 . 1 1 80 80 LYS C C 13 173.037 0.400 . 1 . . . . 76 LYS C . 16403 1 847 . 1 1 80 80 LYS CA C 13 55.679 0.400 . 1 . . . . 76 LYS CA . 16403 1 848 . 1 1 80 80 LYS CB C 13 35.038 0.400 . 1 . . . . 76 LYS CB . 16403 1 849 . 1 1 80 80 LYS N N 15 116.888 0.400 . 1 . . . . 76 LYS N . 16403 1 850 . 1 1 81 81 LEU H H 1 7.411 0.020 . 1 . . . . 77 LEU H . 16403 1 851 . 1 1 81 81 LEU HA H 1 4.003 0.020 . 1 . . . . 77 LEU HA . 16403 1 852 . 1 1 81 81 LEU HB2 H 1 2.107 0.020 . 2 . . . . 77 LEU HB2 . 16403 1 853 . 1 1 81 81 LEU HB3 H 1 1.041 0.020 . 2 . . . . 77 LEU HB3 . 16403 1 854 . 1 1 81 81 LEU HD11 H 1 0.818 0.020 . 2 . . . . 77 LEU HD1 . 16403 1 855 . 1 1 81 81 LEU HD12 H 1 0.818 0.020 . 2 . . . . 77 LEU HD1 . 16403 1 856 . 1 1 81 81 LEU HD13 H 1 0.818 0.020 . 2 . . . . 77 LEU HD1 . 16403 1 857 . 1 1 81 81 LEU HD21 H 1 0.786 0.020 . 2 . . . . 77 LEU HD2 . 16403 1 858 . 1 1 81 81 LEU HD22 H 1 0.786 0.020 . 2 . . . . 77 LEU HD2 . 16403 1 859 . 1 1 81 81 LEU HD23 H 1 0.786 0.020 . 2 . . . . 77 LEU HD2 . 16403 1 860 . 1 1 81 81 LEU HG H 1 1.460 0.020 . 1 . . . . 77 LEU HG . 16403 1 861 . 1 1 81 81 LEU C C 13 177.333 0.400 . 1 . . . . 77 LEU C . 16403 1 862 . 1 1 81 81 LEU CA C 13 57.512 0.400 . 1 . . . . 77 LEU CA . 16403 1 863 . 1 1 81 81 LEU CB C 13 40.676 0.400 . 1 . . . . 77 LEU CB . 16403 1 864 . 1 1 81 81 LEU N N 15 122.079 0.400 . 1 . . . . 77 LEU N . 16403 1 865 . 1 1 82 82 ASP H H 1 8.613 0.020 . 1 . . . . 78 ASP H . 16403 1 866 . 1 1 82 82 ASP HA H 1 4.232 0.020 . 1 . . . . 78 ASP HA . 16403 1 867 . 1 1 82 82 ASP HB2 H 1 2.561 0.020 . 2 . . . . 78 ASP HB2 . 16403 1 868 . 1 1 82 82 ASP HB3 H 1 2.548 0.020 . 2 . . . . 78 ASP HB3 . 16403 1 869 . 1 1 82 82 ASP C C 13 178.354 0.400 . 1 . . . . 78 ASP C . 16403 1 870 . 1 1 82 82 ASP CA C 13 58.438 0.400 . 1 . . . . 78 ASP CA . 16403 1 871 . 1 1 82 82 ASP CB C 13 39.890 0.400 . 1 . . . . 78 ASP CB . 16403 1 872 . 1 1 82 82 ASP N N 15 118.813 0.400 . 1 . . . . 78 ASP N . 16403 1 873 . 1 1 83 83 SER H H 1 7.886 0.020 . 1 . . . . 79 SER H . 16403 1 874 . 1 1 83 83 SER HA H 1 4.164 0.020 . 1 . . . . 79 SER HA . 16403 1 875 . 1 1 83 83 SER HB2 H 1 3.870 0.020 . 2 . . . . 79 SER HB2 . 16403 1 876 . 1 1 83 83 SER HB3 H 1 3.868 0.020 . 2 . . . . 79 SER HB3 . 16403 1 877 . 1 1 83 83 SER C C 13 176.171 0.400 . 1 . . . . 79 SER C . 16403 1 878 . 1 1 83 83 SER CA C 13 61.285 0.400 . 1 . . . . 79 SER CA . 16403 1 879 . 1 1 83 83 SER CB C 13 62.632 0.400 . 1 . . . . 79 SER CB . 16403 1 880 . 1 1 83 83 SER N N 15 113.338 0.400 . 1 . . . . 79 SER N . 16403 1 881 . 1 1 84 84 LEU H H 1 7.354 0.020 . 1 . . . . 80 LEU H . 16403 1 882 . 1 1 84 84 LEU HA H 1 4.152 0.020 . 1 . . . . 80 LEU HA . 16403 1 883 . 1 1 84 84 LEU HB2 H 1 1.878 0.020 . 2 . . . . 80 LEU HB2 . 16403 1 884 . 1 1 84 84 LEU HB3 H 1 1.375 0.020 . 2 . . . . 80 LEU HB3 . 16403 1 885 . 1 1 84 84 LEU HD11 H 1 0.630 0.020 . 2 . . . . 80 LEU HD1 . 16403 1 886 . 1 1 84 84 LEU HD12 H 1 0.630 0.020 . 2 . . . . 80 LEU HD1 . 16403 1 887 . 1 1 84 84 LEU HD13 H 1 0.630 0.020 . 2 . . . . 80 LEU HD1 . 16403 1 888 . 1 1 84 84 LEU HD21 H 1 0.544 0.020 . 2 . . . . 80 LEU HD2 . 16403 1 889 . 1 1 84 84 LEU HD22 H 1 0.544 0.020 . 2 . . . . 80 LEU HD2 . 16403 1 890 . 1 1 84 84 LEU HD23 H 1 0.544 0.020 . 2 . . . . 80 LEU HD2 . 16403 1 891 . 1 1 84 84 LEU HG H 1 1.646 0.020 . 1 . . . . 80 LEU HG . 16403 1 892 . 1 1 84 84 LEU C C 13 173.671 0.400 . 1 . . . . 80 LEU C . 16403 1 893 . 1 1 84 84 LEU CA C 13 56.841 0.400 . 1 . . . . 80 LEU CA . 16403 1 894 . 1 1 84 84 LEU CB C 13 42.682 0.400 . 1 . . . . 80 LEU CB . 16403 1 895 . 1 1 84 84 LEU CD1 C 13 26.339 0.400 . 1 . . . . 80 LEU CD1 . 16403 1 896 . 1 1 84 84 LEU CD2 C 13 23.168 0.400 . 1 . . . . 80 LEU CD2 . 16403 1 897 . 1 1 84 84 LEU N N 15 121.453 0.400 . 1 . . . . 80 LEU N . 16403 1 898 . 1 1 85 85 LEU H H 1 7.655 0.020 . 1 . . . . 81 LEU H . 16403 1 899 . 1 1 85 85 LEU HA H 1 4.113 0.020 . 1 . . . . 81 LEU HA . 16403 1 900 . 1 1 85 85 LEU HB2 H 1 1.916 0.020 . 2 . . . . 81 LEU HB2 . 16403 1 901 . 1 1 85 85 LEU HB3 H 1 1.555 0.020 . 2 . . . . 81 LEU HB3 . 16403 1 902 . 1 1 85 85 LEU HD11 H 1 0.777 0.020 . 2 . . . . 81 LEU HD1 . 16403 1 903 . 1 1 85 85 LEU HD12 H 1 0.777 0.020 . 2 . . . . 81 LEU HD1 . 16403 1 904 . 1 1 85 85 LEU HD13 H 1 0.777 0.020 . 2 . . . . 81 LEU HD1 . 16403 1 905 . 1 1 85 85 LEU HD21 H 1 0.804 0.020 . 2 . . . . 81 LEU HD2 . 16403 1 906 . 1 1 85 85 LEU HD22 H 1 0.804 0.020 . 2 . . . . 81 LEU HD2 . 16403 1 907 . 1 1 85 85 LEU HD23 H 1 0.804 0.020 . 2 . . . . 81 LEU HD2 . 16403 1 908 . 1 1 85 85 LEU HG H 1 1.868 0.020 . 1 . . . . 81 LEU HG . 16403 1 909 . 1 1 85 85 LEU C C 13 177.333 0.400 . 1 . . . . 81 LEU C . 16403 1 910 . 1 1 85 85 LEU CA C 13 55.748 0.400 . 1 . . . . 81 LEU CA . 16403 1 911 . 1 1 85 85 LEU CB C 13 41.707 0.400 . 1 . . . . 81 LEU CB . 16403 1 912 . 1 1 85 85 LEU CD1 C 13 23.168 0.400 . 1 . . . . 81 LEU CD1 . 16403 1 913 . 1 1 85 85 LEU CD2 C 13 23.313 0.400 . 1 . . . . 81 LEU CD2 . 16403 1 914 . 1 1 85 85 LEU N N 15 115.497 0.400 . 1 . . . . 81 LEU N . 16403 1 915 . 1 1 86 86 GLN H H 1 7.414 0.020 . 1 . . . . 82 GLN H . 16403 1 916 . 1 1 86 86 GLN HA H 1 4.177 0.020 . 1 . . . . 82 GLN HA . 16403 1 917 . 1 1 86 86 GLN HB2 H 1 2.062 0.020 . 2 . . . . 82 GLN HB2 . 16403 1 918 . 1 1 86 86 GLN HB3 H 1 2.065 0.020 . 2 . . . . 82 GLN HB3 . 16403 1 919 . 1 1 86 86 GLN HE21 H 1 7.513 0.020 . 2 . . . . 82 GLN HE21 . 16403 1 920 . 1 1 86 86 GLN HE22 H 1 6.825 0.020 . 2 . . . . 82 GLN HE22 . 16403 1 921 . 1 1 86 86 GLN HG2 H 1 2.445 0.020 . 2 . . . . 82 GLN HG2 . 16403 1 922 . 1 1 86 86 GLN HG3 H 1 2.429 0.020 . 2 . . . . 82 GLN HG3 . 16403 1 923 . 1 1 86 86 GLN C C 13 175.537 0.400 . 1 . . . . 82 GLN C . 16403 1 924 . 1 1 86 86 GLN CA C 13 56.986 0.400 . 1 . . . . 82 GLN CA . 16403 1 925 . 1 1 86 86 GLN CB C 13 29.187 0.400 . 1 . . . . 82 GLN CB . 16403 1 926 . 1 1 86 86 GLN CD C 13 179.798 0.400 . 1 . . . . 82 GLN CD . 16403 1 927 . 1 1 86 86 GLN CG C 13 34.125 0.400 . 1 . . . . 82 GLN CG . 16403 1 928 . 1 1 86 86 GLN N N 15 117.020 0.400 . 1 . . . . 82 GLN N . 16403 1 929 . 1 1 86 86 GLN NE2 N 15 111.940 0.400 . 1 . . . . 82 GLN NE2 . 16403 1 930 . 1 1 87 87 ASP H H 1 8.092 0.020 . 1 . . . . 83 ASP H . 16403 1 931 . 1 1 87 87 ASP HA H 1 4.672 0.020 . 1 . . . . 83 ASP HA . 16403 1 932 . 1 1 87 87 ASP HB2 H 1 2.814 0.020 . 2 . . . . 83 ASP HB2 . 16403 1 933 . 1 1 87 87 ASP HB3 H 1 2.590 0.020 . 2 . . . . 83 ASP HB3 . 16403 1 934 . 1 1 87 87 ASP C C 13 177.263 0.400 . 1 . . . . 83 ASP C . 16403 1 935 . 1 1 87 87 ASP CA C 13 54.394 0.400 . 1 . . . . 83 ASP CA . 16403 1 936 . 1 1 87 87 ASP CB C 13 40.722 0.400 . 1 . . . . 83 ASP CB . 16403 1 937 . 1 1 87 87 ASP N N 15 119.072 0.400 . 1 . . . . 83 ASP N . 16403 1 938 . 1 1 88 88 VAL H H 1 7.692 0.020 . 1 . . . . 84 VAL H . 16403 1 939 . 1 1 88 88 VAL HA H 1 4.175 0.020 . 1 . . . . 84 VAL HA . 16403 1 940 . 1 1 88 88 VAL HB H 1 2.122 0.020 . 1 . . . . 84 VAL HB . 16403 1 941 . 1 1 88 88 VAL HG11 H 1 0.923 0.020 . 2 . . . . 84 VAL HG1 . 16403 1 942 . 1 1 88 88 VAL HG12 H 1 0.923 0.020 . 2 . . . . 84 VAL HG1 . 16403 1 943 . 1 1 88 88 VAL HG13 H 1 0.923 0.020 . 2 . . . . 84 VAL HG1 . 16403 1 944 . 1 1 88 88 VAL HG21 H 1 0.857 0.020 . 2 . . . . 84 VAL HG2 . 16403 1 945 . 1 1 88 88 VAL HG22 H 1 0.857 0.020 . 2 . . . . 84 VAL HG2 . 16403 1 946 . 1 1 88 88 VAL HG23 H 1 0.857 0.020 . 2 . . . . 84 VAL HG2 . 16403 1 947 . 1 1 88 88 VAL C C 13 174.164 0.400 . 1 . . . . 84 VAL C . 16403 1 948 . 1 1 88 88 VAL CA C 13 62.165 0.400 . 1 . . . . 84 VAL CA . 16403 1 949 . 1 1 88 88 VAL CB C 13 32.284 0.400 . 1 . . . . 84 VAL CB . 16403 1 950 . 1 1 88 88 VAL CG1 C 13 21.312 0.400 . 1 . . . . 84 VAL CG1 . 16403 1 951 . 1 1 88 88 VAL CG2 C 13 20.921 0.400 . 1 . . . . 84 VAL CG2 . 16403 1 952 . 1 1 88 88 VAL N N 15 118.778 0.400 . 1 . . . . 84 VAL N . 16403 1 953 . 1 1 89 89 HIS H H 1 7.981 0.020 . 1 . . . . 85 HIS H . 16403 1 954 . 1 1 89 89 HIS HA H 1 4.469 0.020 . 1 . . . . 85 HIS HA . 16403 1 955 . 1 1 89 89 HIS HB2 H 1 3.226 0.020 . 2 . . . . 85 HIS HB2 . 16403 1 956 . 1 1 89 89 HIS HB3 H 1 3.060 0.020 . 2 . . . . 85 HIS HB3 . 16403 1 957 . 1 1 89 89 HIS CA C 13 57.020 0.400 . 1 . . . . 85 HIS CA . 16403 1 958 . 1 1 89 89 HIS CB C 13 30.338 0.400 . 1 . . . . 85 HIS CB . 16403 1 959 . 1 1 89 89 HIS N N 15 127.939 0.400 . 1 . . . . 85 HIS N . 16403 1 stop_ save_