data_25459 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25459 _Entry.Title ; Solution structure of Fungus protein Q8J180_MAGGR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-30 _Entry.Accession_date 2015-01-30 _Entry.Last_release_date 2015-10-12 _Entry.Original_release_date 2015-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Karine 'de Guillen' . . . . 25459 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25459 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 25459 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25459 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 25459 '15N chemical shifts' 86 25459 '1H chemical shifts' 493 25459 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 . . 2016-08-30 2015-01-30 update BMRB 'update entry citation' 25459 1 . . 2015-10-12 2015-01-30 original author 'original release' 25459 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25460 'Fungus protein B9WZW9_MAGOR' 25459 PDB 2MYV 'BMRB Entry Tracking System' 25459 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25459 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26506000 _Citation.Full_citation . _Citation.Title ; Structure analysis uncovers a highly diverse but structurally conserved effector family in phytopathogenic fungi ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS PATHOG.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 10 _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 e1005228 _Citation.Page_last e1005228 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Karine 'de Guillen' . . . . 25459 1 2 Diana Ortiz-Vallejo . . . . 25459 1 3 Jerome Gracy . . . . 25459 1 4 Elisabeth Fournier . . . . 25459 1 5 Thomas Kroj . . . . 25459 1 6 Andre Padilla . . . . 25459 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25459 _Assembly.ID 1 _Assembly.Name 'Fungus protein Q8J180_MAGGR' _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 AVR1-CO39 1 $AVR1-CO39 A . yes native no no . . . 25459 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 70 70 SG . . . . . . . . . . 25459 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AVR1-CO39 _Entity.Sf_category entity _Entity.Sf_framecode AVR1-CO39 _Entity.Entry_ID 25459 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AVR1-CO39 _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 ; APQDNTSMGSSHHHHHHSSG RENLYFQGHMAWKDCIIQRY KDGDVNNIYTANRNEEITIE EYKVFVNEACHPYPVILPDR SVLSGDFTSAYADDDESC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'the sequence "APQDNTSMGSSHHHHHHSSGRENLYFQGHM" is the His-TAG and the TEV cleavage site' _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9136.090 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q8J180_MAGGR . AVR1-CO39 . . . . . . . . . . . . . . 25459 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 -8 ALA . 25459 1 2 -7 PRO . 25459 1 3 -6 GLN . 25459 1 4 -5 ASP . 25459 1 5 -4 ASN . 25459 1 6 -3 THR . 25459 1 7 -2 SER . 25459 1 8 -1 MET . 25459 1 9 0 GLY . 25459 1 10 1 SER . 25459 1 11 2 SER . 25459 1 12 3 HIS . 25459 1 13 4 HIS . 25459 1 14 5 HIS . 25459 1 15 6 HIS . 25459 1 16 7 HIS . 25459 1 17 8 HIS . 25459 1 18 9 SER . 25459 1 19 10 SER . 25459 1 20 11 GLY . 25459 1 21 12 ARG . 25459 1 22 13 GLU . 25459 1 23 14 ASN . 25459 1 24 15 LEU . 25459 1 25 16 TYR . 25459 1 26 17 PHE . 25459 1 27 18 GLN . 25459 1 28 19 GLY . 25459 1 29 20 HIS . 25459 1 30 21 MET . 25459 1 31 22 ALA . 25459 1 32 23 TRP . 25459 1 33 24 LYS . 25459 1 34 25 ASP . 25459 1 35 26 CYS . 25459 1 36 27 ILE . 25459 1 37 28 ILE . 25459 1 38 29 GLN . 25459 1 39 30 ARG . 25459 1 40 31 TYR . 25459 1 41 32 LYS . 25459 1 42 33 ASP . 25459 1 43 34 GLY . 25459 1 44 35 ASP . 25459 1 45 36 VAL . 25459 1 46 37 ASN . 25459 1 47 38 ASN . 25459 1 48 39 ILE . 25459 1 49 40 TYR . 25459 1 50 41 THR . 25459 1 51 42 ALA . 25459 1 52 43 ASN . 25459 1 53 44 ARG . 25459 1 54 45 ASN . 25459 1 55 46 GLU . 25459 1 56 47 GLU . 25459 1 57 48 ILE . 25459 1 58 49 THR . 25459 1 59 50 ILE . 25459 1 60 51 GLU . 25459 1 61 52 GLU . 25459 1 62 53 TYR . 25459 1 63 54 LYS . 25459 1 64 55 VAL . 25459 1 65 56 PHE . 25459 1 66 57 VAL . 25459 1 67 58 ASN . 25459 1 68 59 GLU . 25459 1 69 60 ALA . 25459 1 70 61 CYS . 25459 1 71 62 HIS . 25459 1 72 63 PRO . 25459 1 73 64 TYR . 25459 1 74 65 PRO . 25459 1 75 66 VAL . 25459 1 76 67 ILE . 25459 1 77 68 LEU . 25459 1 78 69 PRO . 25459 1 79 70 ASP . 25459 1 80 71 ARG . 25459 1 81 72 SER . 25459 1 82 73 VAL . 25459 1 83 74 LEU . 25459 1 84 75 SER . 25459 1 85 76 GLY . 25459 1 86 77 ASP . 25459 1 87 78 PHE . 25459 1 88 79 THR . 25459 1 89 80 SER . 25459 1 90 81 ALA . 25459 1 91 82 TYR . 25459 1 92 83 ALA . 25459 1 93 84 ASP . 25459 1 94 85 ASP . 25459 1 95 86 ASP . 25459 1 96 87 GLU . 25459 1 97 88 SER . 25459 1 98 89 CYS . 25459 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 25459 1 . PRO 2 2 25459 1 . GLN 3 3 25459 1 . ASP 4 4 25459 1 . ASN 5 5 25459 1 . THR 6 6 25459 1 . SER 7 7 25459 1 . MET 8 8 25459 1 . GLY 9 9 25459 1 . SER 10 10 25459 1 . SER 11 11 25459 1 . HIS 12 12 25459 1 . HIS 13 13 25459 1 . HIS 14 14 25459 1 . HIS 15 15 25459 1 . HIS 16 16 25459 1 . HIS 17 17 25459 1 . SER 18 18 25459 1 . SER 19 19 25459 1 . GLY 20 20 25459 1 . ARG 21 21 25459 1 . GLU 22 22 25459 1 . ASN 23 23 25459 1 . LEU 24 24 25459 1 . TYR 25 25 25459 1 . PHE 26 26 25459 1 . GLN 27 27 25459 1 . GLY 28 28 25459 1 . HIS 29 29 25459 1 . MET 30 30 25459 1 . ALA 31 31 25459 1 . TRP 32 32 25459 1 . LYS 33 33 25459 1 . ASP 34 34 25459 1 . CYS 35 35 25459 1 . ILE 36 36 25459 1 . ILE 37 37 25459 1 . GLN 38 38 25459 1 . ARG 39 39 25459 1 . TYR 40 40 25459 1 . LYS 41 41 25459 1 . ASP 42 42 25459 1 . GLY 43 43 25459 1 . ASP 44 44 25459 1 . VAL 45 45 25459 1 . ASN 46 46 25459 1 . ASN 47 47 25459 1 . ILE 48 48 25459 1 . TYR 49 49 25459 1 . THR 50 50 25459 1 . ALA 51 51 25459 1 . ASN 52 52 25459 1 . ARG 53 53 25459 1 . ASN 54 54 25459 1 . GLU 55 55 25459 1 . GLU 56 56 25459 1 . ILE 57 57 25459 1 . THR 58 58 25459 1 . ILE 59 59 25459 1 . GLU 60 60 25459 1 . GLU 61 61 25459 1 . TYR 62 62 25459 1 . LYS 63 63 25459 1 . VAL 64 64 25459 1 . PHE 65 65 25459 1 . VAL 66 66 25459 1 . ASN 67 67 25459 1 . GLU 68 68 25459 1 . ALA 69 69 25459 1 . CYS 70 70 25459 1 . HIS 71 71 25459 1 . PRO 72 72 25459 1 . TYR 73 73 25459 1 . PRO 74 74 25459 1 . VAL 75 75 25459 1 . ILE 76 76 25459 1 . LEU 77 77 25459 1 . PRO 78 78 25459 1 . ASP 79 79 25459 1 . ARG 80 80 25459 1 . SER 81 81 25459 1 . VAL 82 82 25459 1 . LEU 83 83 25459 1 . SER 84 84 25459 1 . GLY 85 85 25459 1 . ASP 86 86 25459 1 . PHE 87 87 25459 1 . THR 88 88 25459 1 . SER 89 89 25459 1 . ALA 90 90 25459 1 . TYR 91 91 25459 1 . ALA 92 92 25459 1 . ASP 93 93 25459 1 . ASP 94 94 25459 1 . ASP 95 95 25459 1 . GLU 96 96 25459 1 . SER 97 97 25459 1 . CYS 98 98 25459 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 25459 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AVR1-CO39 . 148305 organism . 'Magnaporthe grisea' 'Rice blast fungus' . . Eukaryota Fungi Magnaporthe grisea . . . . . . . . . . . . . 25459 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 25459 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AVR1-CO39 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pET-SP . . ; The expression product from the system is a fusion protein with a periplasmic secretion sequence, a hexahistidine tag and a TEV cleavage site at the N-terminus of the protein ; 25459 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N _Sample.Entry_ID 25459 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AVR1-CO39 '[U-13C; U-15N]' . . 1 $AVR1-CO39 . . 1 . . mM 0.1 . . . 25459 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25459 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25459 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25459 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 25459 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25459 1 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 25459 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AVR1-CO39 [U-15N] . . 1 $AVR1-CO39 . . 1 . . mM 0.1 . . . 25459 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25459 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25459 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25459 2 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 25459 2 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25459 2 stop_ save_ save_D2O _Sample.Sf_category sample _Sample.Sf_framecode D2O _Sample.Entry_ID 25459 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 AVR1-CO39 'natural abundance' . . 1 $AVR1-CO39 . . 1 . . mM 0.1 . . . 25459 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25459 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25459 3 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 25459 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25459 3 stop_ save_ save_H2O _Sample.Sf_category sample _Sample.Sf_framecode H2O _Sample.Entry_ID 25459 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AVR1-CO39 'natural abundance' . . 1 $AVR1-CO39 . . 1 . . mM 0.1 . . . 25459 4 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25459 4 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25459 4 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25459 4 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 25459 4 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25459 4 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 25459 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1mM DTT' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 25459 1 pH 6.8 . pH 25459 1 pressure 1 . atm 25459 1 temperature 305 . K 25459 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25459 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25459 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25459 1 processing 25459 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 25459 _Software.ID 2 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25459 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25459 2 'peak picking' 25459 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25459 _Software.ID 3 _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' . . 25459 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25459 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 25459 _Software.ID 4 _Software.Name TALOS+ _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25459 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25459 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25459 _Software.ID 5 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25459 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25459 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25459 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25459 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25459 _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 . 700 . . . 25459 1 2 spectrometer_2 Bruker Avance . 500 . . . 25459 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 25459 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25459 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25459 1 5 '3D HNCA' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25459 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25459 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 12 '2D DQF-COSY' no . . . . . . . . . . 4 $H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25459 1 13 '3D HNCACB' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25459 1 14 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25459 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 25459 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25459 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25459 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25459 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 25459 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25459 1 2 '2D 1H-15N HSQC' . . . 25459 1 3 '2D 1H-13C HSQC' . . . 25459 1 4 '3D HNCO' . . . 25459 1 5 '3D HNCA' . . . 25459 1 6 '3D HN(COCA)CB' . . . 25459 1 7 '3D 1H-15N NOESY' . . . 25459 1 8 '3D 1H-15N TOCSY' . . . 25459 1 9 '2D 1H-1H NOESY' . . . 25459 1 10 '2D 1H-1H NOESY' . . . 25459 1 11 '2D 1H-1H TOCSY' . . . 25459 1 12 '2D DQF-COSY' . . . 25459 1 13 '3D HNCACB' . . . 25459 1 14 '3D HN(CO)CA' . . . 25459 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 20 20 GLY H H 1 8.486 . . 1 . . . A 11 GLY H . 25459 1 2 . 1 1 20 20 GLY HA2 H 1 4.025 . . 2 . . . A 11 GLY HA2 . 25459 1 3 . 1 1 20 20 GLY HA3 H 1 3.944 . . 2 . . . A 11 GLY HA3 . 25459 1 4 . 1 1 20 20 GLY C C 13 174.92 . . 1 . . . A 11 GLY C . 25459 1 5 . 1 1 20 20 GLY CA C 13 45.55 . . 1 . . . A 11 GLY CA . 25459 1 6 . 1 1 20 20 GLY N N 15 110.87 . . 1 . . . A 11 GLY N . 25459 1 7 . 1 1 21 21 ARG H H 1 8.158 . . 1 . . . A 12 ARG H . 25459 1 8 . 1 1 21 21 ARG HA H 1 4.270 . . 1 . . . A 12 ARG HA . 25459 1 9 . 1 1 21 21 ARG HB2 H 1 1.717 . . 2 . . . A 12 ARG HB2 . 25459 1 10 . 1 1 21 21 ARG HB3 H 1 1.554 . . 2 . . . A 12 ARG HB3 . 25459 1 11 . 1 1 21 21 ARG HG2 H 1 2.190 . . 2 . . . A 12 ARG HG2 . 25459 1 12 . 1 1 21 21 ARG HG3 H 1 1.833 . . 2 . . . A 12 ARG HG3 . 25459 1 13 . 1 1 21 21 ARG C C 13 177.00 . . 1 . . . A 12 ARG C . 25459 1 14 . 1 1 21 21 ARG CA C 13 56.54 . . 1 . . . A 12 ARG CA . 25459 1 15 . 1 1 21 21 ARG CB C 13 30.55 . . 1 . . . A 12 ARG CB . 25459 1 16 . 1 1 21 21 ARG N N 15 120.35 . . 1 . . . A 12 ARG N . 25459 1 17 . 1 1 22 22 GLU H H 1 8.623 . . 1 . . . A 13 GLU H . 25459 1 18 . 1 1 22 22 GLU HA H 1 4.180 . . 1 . . . A 13 GLU HA . 25459 1 19 . 1 1 22 22 GLU HB2 H 1 1.941 . . 2 . . . A 13 GLU HB2 . 25459 1 20 . 1 1 22 22 GLU HB3 H 1 2.249 . . 2 . . . A 13 GLU HB3 . 25459 1 21 . 1 1 22 22 GLU HG2 H 1 2.016 . . 2 . . . A 13 GLU HG2 . 25459 1 22 . 1 1 22 22 GLU C C 13 176.89 . . 1 . . . A 13 GLU C . 25459 1 23 . 1 1 22 22 GLU CA C 13 57.51 . . 1 . . . A 13 GLU CA . 25459 1 24 . 1 1 22 22 GLU CB C 13 29.48 . . 1 . . . A 13 GLU CB . 25459 1 25 . 1 1 22 22 GLU N N 15 120.74 . . 1 . . . A 13 GLU N . 25459 1 26 . 1 1 23 23 ASN H H 1 8.281 . . 1 . . . A 14 ASN H . 25459 1 27 . 1 1 23 23 ASN HA H 1 4.697 . . 1 . . . A 14 ASN HA . 25459 1 28 . 1 1 23 23 ASN HB2 H 1 2.711 . . 2 . . . A 14 ASN HB2 . 25459 1 29 . 1 1 23 23 ASN HB3 H 1 2.773 . . 2 . . . A 14 ASN HB3 . 25459 1 30 . 1 1 23 23 ASN HD21 H 1 7.539 . . 2 . . . A 14 ASN HD21 . 25459 1 31 . 1 1 23 23 ASN HD22 H 1 6.856 . . 2 . . . A 14 ASN HD22 . 25459 1 32 . 1 1 23 23 ASN C C 13 175.76 . . 1 . . . A 14 ASN C . 25459 1 33 . 1 1 23 23 ASN CA C 13 53.64 . . 1 . . . A 14 ASN CA . 25459 1 34 . 1 1 23 23 ASN CB C 13 38.78 . . 1 . . . A 14 ASN CB . 25459 1 35 . 1 1 23 23 ASN CG C 13 176.86 . . 1 . . . A 14 ASN CG . 25459 1 36 . 1 1 23 23 ASN N N 15 118.46 . . 1 . . . A 14 ASN N . 25459 1 37 . 1 1 23 23 ASN ND2 N 15 112.60 . . 1 . . . A 14 ASN ND2 . 25459 1 38 . 1 1 24 24 LEU H H 1 7.987 . . 1 . . . A 15 LEU H . 25459 1 39 . 1 1 24 24 LEU HA H 1 4.174 . . 1 . . . A 15 LEU HA . 25459 1 40 . 1 1 24 24 LEU HB2 H 1 1.284 . . 2 . . . A 15 LEU HB2 . 25459 1 41 . 1 1 24 24 LEU HB3 H 1 1.420 . . 2 . . . A 15 LEU HB3 . 25459 1 42 . 1 1 24 24 LEU HD11 H 1 0.710 . . 2 . . . A 15 LEU HD11 . 25459 1 43 . 1 1 24 24 LEU HD12 H 1 0.710 . . 2 . . . A 15 LEU HD12 . 25459 1 44 . 1 1 24 24 LEU HD13 H 1 0.710 . . 2 . . . A 15 LEU HD13 . 25459 1 45 . 1 1 24 24 LEU HD21 H 1 0.660 . . 2 . . . A 15 LEU HD21 . 25459 1 46 . 1 1 24 24 LEU HD22 H 1 0.660 . . 2 . . . A 15 LEU HD22 . 25459 1 47 . 1 1 24 24 LEU HD23 H 1 0.660 . . 2 . . . A 15 LEU HD23 . 25459 1 48 . 1 1 24 24 LEU C C 13 177.51 . . 1 . . . A 15 LEU C . 25459 1 49 . 1 1 24 24 LEU CA C 13 55.82 . . 1 . . . A 15 LEU CA . 25459 1 50 . 1 1 24 24 LEU CB C 13 42.23 . . 1 . . . A 15 LEU CB . 25459 1 51 . 1 1 24 24 LEU N N 15 121.63 . . 1 . . . A 15 LEU N . 25459 1 52 . 1 1 25 25 TYR H H 1 7.930 . . 1 . . . A 16 TYR H . 25459 1 53 . 1 1 25 25 TYR HA H 1 4.445 . . 1 . . . A 16 TYR HA . 25459 1 54 . 1 1 25 25 TYR HB2 H 1 2.737 . . 2 . . . A 16 TYR HB2 . 25459 1 55 . 1 1 25 25 TYR HB3 H 1 2.858 . . 2 . . . A 16 TYR HB3 . 25459 1 56 . 1 1 25 25 TYR HD1 H 1 6.862 . . 3 . . . A 16 TYR HD1 . 25459 1 57 . 1 1 25 25 TYR HE1 H 1 6.672 . . 3 . . . A 16 TYR HE1 . 25459 1 58 . 1 1 25 25 TYR C C 13 176.24 . . 1 . . . A 16 TYR C . 25459 1 59 . 1 1 25 25 TYR CA C 13 58.18 . . 1 . . . A 16 TYR CA . 25459 1 60 . 1 1 25 25 TYR CB C 13 38.54 . . 1 . . . A 16 TYR CB . 25459 1 61 . 1 1 25 25 TYR N N 15 118.95 . . 1 . . . A 16 TYR N . 25459 1 62 . 1 1 26 26 PHE H H 1 7.905 . . 1 . . . A 17 PHE H . 25459 1 63 . 1 1 26 26 PHE HA H 1 4.500 . . 1 . . . A 17 PHE HA . 25459 1 64 . 1 1 26 26 PHE HB2 H 1 3.020 . . 2 . . . A 17 PHE HB2 . 25459 1 65 . 1 1 26 26 PHE HB3 H 1 2.878 . . 2 . . . A 17 PHE HB3 . 25459 1 66 . 1 1 26 26 PHE HD1 H 1 7.096 . . 3 . . . A 17 PHE HD1 . 25459 1 67 . 1 1 26 26 PHE C C 13 176.00 . . 1 . . . A 17 PHE C . 25459 1 68 . 1 1 26 26 PHE CA C 13 57.82 . . 1 . . . A 17 PHE CA . 25459 1 69 . 1 1 26 26 PHE CB C 13 39.29 . . 1 . . . A 17 PHE CB . 25459 1 70 . 1 1 26 26 PHE N N 15 120.45 . . 1 . . . A 17 PHE N . 25459 1 71 . 1 1 27 27 GLN H H 1 8.108 . . 1 . . . A 18 GLN H . 25459 1 72 . 1 1 27 27 GLN HA H 1 4.202 . . 1 . . . A 18 GLN HA . 25459 1 73 . 1 1 27 27 GLN HB2 H 1 1.871 . . 2 . . . A 18 GLN HB2 . 25459 1 74 . 1 1 27 27 GLN HB3 H 1 2.060 . . 2 . . . A 18 GLN HB3 . 25459 1 75 . 1 1 27 27 GLN HG2 H 1 2.199 . . 2 . . . A 18 GLN HG2 . 25459 1 76 . 1 1 27 27 GLN HE21 H 1 7.363 . . 2 . . . A 18 GLN HE21 . 25459 1 77 . 1 1 27 27 GLN HE22 H 1 6.786 . . 2 . . . A 18 GLN HE22 . 25459 1 78 . 1 1 27 27 GLN C C 13 176.65 . . 1 . . . A 18 GLN C . 25459 1 79 . 1 1 27 27 GLN CA C 13 56.13 . . 1 . . . A 18 GLN CA . 25459 1 80 . 1 1 27 27 GLN CB C 13 28.92 . . 1 . . . A 18 GLN CB . 25459 1 81 . 1 1 27 27 GLN CD C 13 180.33 . . 1 . . . A 18 GLN CD . 25459 1 82 . 1 1 27 27 GLN N N 15 121.06 . . 1 . . . A 18 GLN N . 25459 1 83 . 1 1 27 27 GLN NE2 N 15 111.83 . . 1 . . . A 18 GLN NE2 . 25459 1 84 . 1 1 28 28 GLY H H 1 7.992 . . 1 . . . A 19 GLY H . 25459 1 85 . 1 1 28 28 GLY HA2 H 1 3.901 . . 2 . . . A 19 GLY HA2 . 25459 1 86 . 1 1 28 28 GLY HA3 H 1 3.780 . . 2 . . . A 19 GLY HA3 . 25459 1 87 . 1 1 28 28 GLY C C 13 174.30 . . 1 . . . A 19 GLY C . 25459 1 88 . 1 1 28 28 GLY CA C 13 45.48 . . 1 . . . A 19 GLY CA . 25459 1 89 . 1 1 28 28 GLY N N 15 108.55 . . 1 . . . A 19 GLY N . 25459 1 90 . 1 1 30 30 MET H H 1 7.862 . . 1 . . . A 21 MET H . 25459 1 91 . 1 1 30 30 MET HA H 1 4.209 . . 1 . . . A 21 MET HA . 25459 1 92 . 1 1 30 30 MET HB2 H 1 1.540 . . 2 . . . A 21 MET HB2 . 25459 1 93 . 1 1 30 30 MET HG2 H 1 2.011 . . 2 . . . A 21 MET HG2 . 25459 1 94 . 1 1 30 30 MET C C 13 175.13 . . 1 . . . A 21 MET C . 25459 1 95 . 1 1 30 30 MET CA C 13 55.08 . . 1 . . . A 21 MET CA . 25459 1 96 . 1 1 30 30 MET CB C 13 32.99 . . 1 . . . A 21 MET CB . 25459 1 97 . 1 1 30 30 MET N N 15 120.77 . . 1 . . . A 21 MET N . 25459 1 98 . 1 1 31 31 ALA H H 1 8.020 . . 1 . . . A 22 ALA H . 25459 1 99 . 1 1 31 31 ALA HA H 1 4.295 . . 1 . . . A 22 ALA HA . 25459 1 100 . 1 1 31 31 ALA HB1 H 1 1.239 . . 1 . . . A 22 ALA HB1 . 25459 1 101 . 1 1 31 31 ALA HB2 H 1 1.239 . . 1 . . . A 22 ALA HB2 . 25459 1 102 . 1 1 31 31 ALA HB3 H 1 1.239 . . 1 . . . A 22 ALA HB3 . 25459 1 103 . 1 1 31 31 ALA C C 13 177.16 . . 1 . . . A 22 ALA C . 25459 1 104 . 1 1 31 31 ALA CA C 13 51.43 . . 1 . . . A 22 ALA CA . 25459 1 105 . 1 1 31 31 ALA CB C 13 18.38 . . 1 . . . A 22 ALA CB . 25459 1 106 . 1 1 31 31 ALA N N 15 125.19 . . 1 . . . A 22 ALA N . 25459 1 107 . 1 1 32 32 TRP H H 1 7.831 . . 1 . . . A 23 TRP H . 25459 1 108 . 1 1 32 32 TRP HA H 1 4.700 . . 1 . . . A 23 TRP HA . 25459 1 109 . 1 1 32 32 TRP HB2 H 1 3.344 . . 2 . . . A 23 TRP HB2 . 25459 1 110 . 1 1 32 32 TRP HB3 H 1 3.143 . . 2 . . . A 23 TRP HB3 . 25459 1 111 . 1 1 32 32 TRP HD1 H 1 7.194 . . 1 . . . A 23 TRP HD1 . 25459 1 112 . 1 1 32 32 TRP HE1 H 1 7.539 . . 1 . . . A 23 TRP HE1 . 25459 1 113 . 1 1 32 32 TRP HE3 H 1 9.932 . . 1 . . . A 23 TRP HE3 . 25459 1 114 . 1 1 32 32 TRP HZ2 H 1 6.909 . . 1 . . . A 23 TRP HZ2 . 25459 1 115 . 1 1 32 32 TRP HZ3 H 1 7.055 . . 1 . . . A 23 TRP HZ3 . 25459 1 116 . 1 1 32 32 TRP HH2 H 1 7.389 . . 1 . . . A 23 TRP HH2 . 25459 1 117 . 1 1 32 32 TRP C C 13 177.30 . . 1 . . . A 23 TRP C . 25459 1 118 . 1 1 32 32 TRP CA C 13 57.33 . . 1 . . . A 23 TRP CA . 25459 1 119 . 1 1 32 32 TRP CB C 13 30.76 . . 1 . . . A 23 TRP CB . 25459 1 120 . 1 1 32 32 TRP N N 15 121.41 . . 1 . . . A 23 TRP N . 25459 1 121 . 1 1 32 32 TRP NE1 N 15 128.88 . . 1 . . . A 23 TRP NE1 . 25459 1 122 . 1 1 33 33 LYS H H 1 8.127 . . 1 . . . A 24 LYS H . 25459 1 123 . 1 1 33 33 LYS HA H 1 4.672 . . 1 . . . A 24 LYS HA . 25459 1 124 . 1 1 33 33 LYS HB2 H 1 1.787 . . 2 . . . A 24 LYS HB2 . 25459 1 125 . 1 1 33 33 LYS HB3 H 1 1.524 . . 2 . . . A 24 LYS HB3 . 25459 1 126 . 1 1 33 33 LYS HG2 H 1 1.252 . . 2 . . . A 24 LYS HG2 . 25459 1 127 . 1 1 33 33 LYS HG3 H 1 1.608 . . 2 . . . A 24 LYS HG3 . 25459 1 128 . 1 1 33 33 LYS HD2 H 1 1.409 . . 2 . . . A 24 LYS HD2 . 25459 1 129 . 1 1 33 33 LYS HE2 H 1 2.901 . . 2 . . . A 24 LYS HE2 . 25459 1 130 . 1 1 33 33 LYS C C 13 177.24 . . 1 . . . A 24 LYS C . 25459 1 131 . 1 1 33 33 LYS CA C 13 55.31 . . 1 . . . A 24 LYS CA . 25459 1 132 . 1 1 33 33 LYS CB C 13 33.57 . . 1 . . . A 24 LYS CB . 25459 1 133 . 1 1 33 33 LYS N N 15 123.24 . . 1 . . . A 24 LYS N . 25459 1 134 . 1 1 34 34 ASP H H 1 8.268 . . 1 . . . A 25 ASP H . 25459 1 135 . 1 1 34 34 ASP HA H 1 4.509 . . 1 . . . A 25 ASP HA . 25459 1 136 . 1 1 34 34 ASP HB2 H 1 2.833 . . 2 . . . A 25 ASP HB2 . 25459 1 137 . 1 1 34 34 ASP HB3 H 1 3.172 . . 2 . . . A 25 ASP HB3 . 25459 1 138 . 1 1 34 34 ASP C C 13 177.38 . . 1 . . . A 25 ASP C . 25459 1 139 . 1 1 34 34 ASP CA C 13 58.60 . . 1 . . . A 25 ASP CA . 25459 1 140 . 1 1 34 34 ASP CB C 13 43.58 . . 1 . . . A 25 ASP CB . 25459 1 141 . 1 1 34 34 ASP N N 15 119.33 . . 1 . . . A 25 ASP N . 25459 1 142 . 1 1 35 35 CYS H H 1 8.859 . . 1 . . . A 26 CYS H . 25459 1 143 . 1 1 35 35 CYS HA H 1 5.446 . . 1 . . . A 26 CYS HA . 25459 1 144 . 1 1 35 35 CYS HB2 H 1 2.686 . . 2 . . . A 26 CYS HB2 . 25459 1 145 . 1 1 35 35 CYS HB3 H 1 2.480 . . 2 . . . A 26 CYS HB3 . 25459 1 146 . 1 1 35 35 CYS C C 13 175.35 . . 1 . . . A 26 CYS C . 25459 1 147 . 1 1 35 35 CYS CA C 13 52.18 . . 1 . . . A 26 CYS CA . 25459 1 148 . 1 1 35 35 CYS CB C 13 38.46 . . 1 . . . A 26 CYS CB . 25459 1 149 . 1 1 35 35 CYS N N 15 113.79 . . 1 . . . A 26 CYS N . 25459 1 150 . 1 1 36 36 ILE H H 1 9.092 . . 1 . . . A 27 ILE H . 25459 1 151 . 1 1 36 36 ILE HA H 1 4.655 . . 1 . . . A 27 ILE HA . 25459 1 152 . 1 1 36 36 ILE HB H 1 1.483 . . 1 . . . A 27 ILE HB . 25459 1 153 . 1 1 36 36 ILE HG12 H 1 0.884 . . 2 . . . A 27 ILE HG12 . 25459 1 154 . 1 1 36 36 ILE HG13 H 1 1.436 . . 2 . . . A 27 ILE HG13 . 25459 1 155 . 1 1 36 36 ILE HG21 H 1 0.576 . . 1 . . . A 27 ILE HG21 . 25459 1 156 . 1 1 36 36 ILE HG22 H 1 0.576 . . 1 . . . A 27 ILE HG22 . 25459 1 157 . 1 1 36 36 ILE HG23 H 1 0.576 . . 1 . . . A 27 ILE HG23 . 25459 1 158 . 1 1 36 36 ILE HD11 H 1 0.361 . . 1 . . . A 27 ILE HD11 . 25459 1 159 . 1 1 36 36 ILE HD12 H 1 0.361 . . 1 . . . A 27 ILE HD12 . 25459 1 160 . 1 1 36 36 ILE HD13 H 1 0.361 . . 1 . . . A 27 ILE HD13 . 25459 1 161 . 1 1 36 36 ILE C C 13 174.91 . . 1 . . . A 27 ILE C . 25459 1 162 . 1 1 36 36 ILE CA C 13 60.08 . . 1 . . . A 27 ILE CA . 25459 1 163 . 1 1 36 36 ILE CB C 13 40.13 . . 1 . . . A 27 ILE CB . 25459 1 164 . 1 1 36 36 ILE N N 15 123.52 . . 1 . . . A 27 ILE N . 25459 1 165 . 1 1 37 37 ILE H H 1 9.102 . . 1 . . . A 28 ILE H . 25459 1 166 . 1 1 37 37 ILE HA H 1 5.081 . . 1 . . . A 28 ILE HA . 25459 1 167 . 1 1 37 37 ILE HB H 1 1.918 . . 1 . . . A 28 ILE HB . 25459 1 168 . 1 1 37 37 ILE HG12 H 1 1.049 . . 2 . . . A 28 ILE HG12 . 25459 1 169 . 1 1 37 37 ILE HG13 H 1 1.139 . . 2 . . . A 28 ILE HG13 . 25459 1 170 . 1 1 37 37 ILE HG21 H 1 0.741 . . 1 . . . A 28 ILE HG21 . 25459 1 171 . 1 1 37 37 ILE HG22 H 1 0.741 . . 1 . . . A 28 ILE HG22 . 25459 1 172 . 1 1 37 37 ILE HG23 H 1 0.741 . . 1 . . . A 28 ILE HG23 . 25459 1 173 . 1 1 37 37 ILE HD11 H 1 0.578 . . 1 . . . A 28 ILE HD11 . 25459 1 174 . 1 1 37 37 ILE HD12 H 1 0.578 . . 1 . . . A 28 ILE HD12 . 25459 1 175 . 1 1 37 37 ILE HD13 H 1 0.578 . . 1 . . . A 28 ILE HD13 . 25459 1 176 . 1 1 37 37 ILE C C 13 175.61 . . 1 . . . A 28 ILE C . 25459 1 177 . 1 1 37 37 ILE CA C 13 57.92 . . 1 . . . A 28 ILE CA . 25459 1 178 . 1 1 37 37 ILE CB C 13 38.86 . . 1 . . . A 28 ILE CB . 25459 1 179 . 1 1 37 37 ILE N N 15 128.95 . . 1 . . . A 28 ILE N . 25459 1 180 . 1 1 38 38 GLN H H 1 9.207 . . 1 . . . A 29 GLN H . 25459 1 181 . 1 1 38 38 GLN HA H 1 4.767 . . 1 . . . A 29 GLN HA . 25459 1 182 . 1 1 38 38 GLN HB2 H 1 1.728 . . 2 . . . A 29 GLN HB2 . 25459 1 183 . 1 1 38 38 GLN HB3 H 1 2.060 . . 2 . . . A 29 GLN HB3 . 25459 1 184 . 1 1 38 38 GLN HG2 H 1 1.973 . . 2 . . . A 29 GLN HG2 . 25459 1 185 . 1 1 38 38 GLN HG3 H 1 2.403 . . 2 . . . A 29 GLN HG3 . 25459 1 186 . 1 1 38 38 GLN HE21 H 1 7.041 . . 2 . . . A 29 GLN HE21 . 25459 1 187 . 1 1 38 38 GLN HE22 H 1 6.780 . . 2 . . . A 29 GLN HE22 . 25459 1 188 . 1 1 38 38 GLN C C 13 173.96 . . 1 . . . A 29 GLN C . 25459 1 189 . 1 1 38 38 GLN CA C 13 55.15 . . 1 . . . A 29 GLN CA . 25459 1 190 . 1 1 38 38 GLN CB C 13 31.78 . . 1 . . . A 29 GLN CB . 25459 1 191 . 1 1 38 38 GLN CD C 13 179.15 . . 1 . . . A 29 GLN CD . 25459 1 192 . 1 1 38 38 GLN N N 15 125.25 . . 1 . . . A 29 GLN N . 25459 1 193 . 1 1 38 38 GLN NE2 N 15 110.18 . . 1 . . . A 29 GLN NE2 . 25459 1 194 . 1 1 39 39 ARG H H 1 8.345 . . 1 . . . A 30 ARG H . 25459 1 195 . 1 1 39 39 ARG HA H 1 5.352 . . 1 . . . A 30 ARG HA . 25459 1 196 . 1 1 39 39 ARG HB2 H 1 2.116 . . 2 . . . A 30 ARG HB2 . 25459 1 197 . 1 1 39 39 ARG HB3 H 1 2.247 . . 2 . . . A 30 ARG HB3 . 25459 1 198 . 1 1 39 39 ARG HG2 H 1 1.397 . . 2 . . . A 30 ARG HG2 . 25459 1 199 . 1 1 39 39 ARG HG3 H 1 1.512 . . 2 . . . A 30 ARG HG3 . 25459 1 200 . 1 1 39 39 ARG HD2 H 1 3.398 . . 2 . . . A 30 ARG HD2 . 25459 1 201 . 1 1 39 39 ARG HD3 H 1 2.875 . . 2 . . . A 30 ARG HD3 . 25459 1 202 . 1 1 39 39 ARG HE H 1 7.819 . . 1 . . . A 30 ARG HE . 25459 1 203 . 1 1 39 39 ARG C C 13 174.37 . . 1 . . . A 30 ARG C . 25459 1 204 . 1 1 39 39 ARG CA C 13 53.97 . . 1 . . . A 30 ARG CA . 25459 1 205 . 1 1 39 39 ARG CB C 13 34.69 . . 1 . . . A 30 ARG CB . 25459 1 206 . 1 1 39 39 ARG N N 15 122.86 . . 1 . . . A 30 ARG N . 25459 1 207 . 1 1 39 39 ARG NE N 15 82.1 . . 1 . . . A 30 ARG NE . 25459 1 208 . 1 1 40 40 TYR H H 1 10.00 . . 1 . . . A 31 TYR H . 25459 1 209 . 1 1 40 40 TYR HA H 1 5.082 . . 1 . . . A 31 TYR HA . 25459 1 210 . 1 1 40 40 TYR HB2 H 1 2.747 . . 2 . . . A 31 TYR HB2 . 25459 1 211 . 1 1 40 40 TYR HB3 H 1 2.919 . . 2 . . . A 31 TYR HB3 . 25459 1 212 . 1 1 40 40 TYR HD1 H 1 6.854 . . 3 . . . A 31 TYR HD1 . 25459 1 213 . 1 1 40 40 TYR HE1 H 1 6.696 . . 3 . . . A 31 TYR HE1 . 25459 1 214 . 1 1 40 40 TYR C C 13 176.10 . . 1 . . . A 31 TYR C . 25459 1 215 . 1 1 40 40 TYR CA C 13 57.15 . . 1 . . . A 31 TYR CA . 25459 1 216 . 1 1 40 40 TYR CB C 13 40.84 . . 1 . . . A 31 TYR CB . 25459 1 217 . 1 1 40 40 TYR N N 15 129.00 . . 1 . . . A 31 TYR N . 25459 1 218 . 1 1 41 41 LYS H H 1 8.819 . . 1 . . . A 32 LYS H . 25459 1 219 . 1 1 41 41 LYS HA H 1 4.541 . . 1 . . . A 32 LYS HA . 25459 1 220 . 1 1 41 41 LYS HB2 H 1 1.760 . . 2 . . . A 32 LYS HB2 . 25459 1 221 . 1 1 41 41 LYS HB3 H 1 1.532 . . 2 . . . A 32 LYS HB3 . 25459 1 222 . 1 1 41 41 LYS HG2 H 1 1.332 . . 2 . . . A 32 LYS HG2 . 25459 1 223 . 1 1 41 41 LYS HG3 H 1 1.250 . . 2 . . . A 32 LYS HG3 . 25459 1 224 . 1 1 41 41 LYS HD2 H 1 1.568 . . 2 . . . A 32 LYS HD2 . 25459 1 225 . 1 1 41 41 LYS HE2 H 1 2.918 . . 2 . . . A 32 LYS HE2 . 25459 1 226 . 1 1 41 41 LYS HE3 H 1 2.959 . . 2 . . . A 32 LYS HE3 . 25459 1 227 . 1 1 41 41 LYS C C 13 175.92 . . 1 . . . A 32 LYS C . 25459 1 228 . 1 1 41 41 LYS CA C 13 56.33 . . 1 . . . A 32 LYS CA . 25459 1 229 . 1 1 41 41 LYS CB C 13 35.68 . . 1 . . . A 32 LYS CB . 25459 1 230 . 1 1 41 41 LYS N N 15 123.10 . . 1 . . . A 32 LYS N . 25459 1 231 . 1 1 42 42 ASP H H 1 9.108 . . 1 . . . A 33 ASP H . 25459 1 232 . 1 1 42 42 ASP HA H 1 4.311 . . 1 . . . A 33 ASP HA . 25459 1 233 . 1 1 42 42 ASP HB2 H 1 2.913 . . 2 . . . A 33 ASP HB2 . 25459 1 234 . 1 1 42 42 ASP HB3 H 1 2.702 . . 2 . . . A 33 ASP HB3 . 25459 1 235 . 1 1 42 42 ASP C C 13 176.37 . . 1 . . . A 33 ASP C . 25459 1 236 . 1 1 42 42 ASP CA C 13 55.85 . . 1 . . . A 33 ASP CA . 25459 1 237 . 1 1 42 42 ASP CB C 13 39.77 . . 1 . . . A 33 ASP CB . 25459 1 238 . 1 1 42 42 ASP N N 15 125.57 . . 1 . . . A 33 ASP N . 25459 1 239 . 1 1 43 43 GLY H H 1 8.576 . . 1 . . . A 34 GLY H . 25459 1 240 . 1 1 43 43 GLY HA2 H 1 4.203 . . 2 . . . A 34 GLY HA2 . 25459 1 241 . 1 1 43 43 GLY HA3 H 1 3.590 . . 2 . . . A 34 GLY HA3 . 25459 1 242 . 1 1 43 43 GLY C C 13 173.61 . . 1 . . . A 34 GLY C . 25459 1 243 . 1 1 43 43 GLY CA C 13 45.66 . . 1 . . . A 34 GLY CA . 25459 1 244 . 1 1 43 43 GLY N N 15 104.45 . . 1 . . . A 34 GLY N . 25459 1 245 . 1 1 44 44 ASP H H 1 7.727 . . 1 . . . A 35 ASP H . 25459 1 246 . 1 1 44 44 ASP HA H 1 5.075 . . 1 . . . A 35 ASP HA . 25459 1 247 . 1 1 44 44 ASP HB2 H 1 2.647 . . 2 . . . A 35 ASP HB2 . 25459 1 248 . 1 1 44 44 ASP HB3 H 1 2.539 . . 2 . . . A 35 ASP HB3 . 25459 1 249 . 1 1 44 44 ASP C C 13 175.89 . . 1 . . . A 35 ASP C . 25459 1 250 . 1 1 44 44 ASP CA C 13 52.61 . . 1 . . . A 35 ASP CA . 25459 1 251 . 1 1 44 44 ASP CB C 13 43.86 . . 1 . . . A 35 ASP CB . 25459 1 252 . 1 1 44 44 ASP N N 15 119.51 . . 1 . . . A 35 ASP N . 25459 1 253 . 1 1 45 45 VAL H H 1 8.709 . . 1 . . . A 36 VAL H . 25459 1 254 . 1 1 45 45 VAL HA H 1 3.673 . . 1 . . . A 36 VAL HA . 25459 1 255 . 1 1 45 45 VAL HB H 1 1.858 . . 1 . . . A 36 VAL HB . 25459 1 256 . 1 1 45 45 VAL HG11 H 1 0.723 . . 2 . . . A 36 VAL HG11 . 25459 1 257 . 1 1 45 45 VAL HG12 H 1 0.723 . . 2 . . . A 36 VAL HG12 . 25459 1 258 . 1 1 45 45 VAL HG13 H 1 0.723 . . 2 . . . A 36 VAL HG13 . 25459 1 259 . 1 1 45 45 VAL HG21 H 1 0.702 . . 2 . . . A 36 VAL HG21 . 25459 1 260 . 1 1 45 45 VAL HG22 H 1 0.702 . . 2 . . . A 36 VAL HG22 . 25459 1 261 . 1 1 45 45 VAL HG23 H 1 0.702 . . 2 . . . A 36 VAL HG23 . 25459 1 262 . 1 1 45 45 VAL C C 13 175.94 . . 1 . . . A 36 VAL C . 25459 1 263 . 1 1 45 45 VAL CA C 13 63.64 . . 1 . . . A 36 VAL CA . 25459 1 264 . 1 1 45 45 VAL CB C 13 31.51 . . 1 . . . A 36 VAL CB . 25459 1 265 . 1 1 45 45 VAL N N 15 122.14 . . 1 . . . A 36 VAL N . 25459 1 266 . 1 1 46 46 ASN H H 1 9.259 . . 1 . . . A 37 ASN H . 25459 1 267 . 1 1 46 46 ASN HA H 1 4.781 . . 1 . . . A 37 ASN HA . 25459 1 268 . 1 1 46 46 ASN HB2 H 1 2.501 . . 2 . . . A 37 ASN HB2 . 25459 1 269 . 1 1 46 46 ASN HB3 H 1 2.651 . . 2 . . . A 37 ASN HB3 . 25459 1 270 . 1 1 46 46 ASN HD21 H 1 7.549 . . 2 . . . A 37 ASN HD21 . 25459 1 271 . 1 1 46 46 ASN HD22 H 1 6.829 . . 2 . . . A 37 ASN HD22 . 25459 1 272 . 1 1 46 46 ASN C C 13 174.94 . . 1 . . . A 37 ASN C . 25459 1 273 . 1 1 46 46 ASN CA C 13 53.90 . . 1 . . . A 37 ASN CA . 25459 1 274 . 1 1 46 46 ASN CB C 13 41.84 . . 1 . . . A 37 ASN CB . 25459 1 275 . 1 1 46 46 ASN CG C 13 175.54 . . 1 . . . A 37 ASN CG . 25459 1 276 . 1 1 46 46 ASN N N 15 127.39 . . 1 . . . A 37 ASN N . 25459 1 277 . 1 1 46 46 ASN ND2 N 15 111.14 . . 1 . . . A 37 ASN ND2 . 25459 1 278 . 1 1 47 47 ASN H H 1 7.836 . . 1 . . . A 38 ASN H . 25459 1 279 . 1 1 47 47 ASN HA H 1 4.694 . . 1 . . . A 38 ASN HA . 25459 1 280 . 1 1 47 47 ASN HB2 H 1 2.364 . . 2 . . . A 38 ASN HB2 . 25459 1 281 . 1 1 47 47 ASN HB3 H 1 2.519 . . 2 . . . A 38 ASN HB3 . 25459 1 282 . 1 1 47 47 ASN HD21 H 1 7.309 . . 2 . . . A 38 ASN HD21 . 25459 1 283 . 1 1 47 47 ASN HD22 H 1 6.781 . . 2 . . . A 38 ASN HD22 . 25459 1 284 . 1 1 47 47 ASN C C 13 172.76 . . 1 . . . A 38 ASN C . 25459 1 285 . 1 1 47 47 ASN CA C 13 52.64 . . 1 . . . A 38 ASN CA . 25459 1 286 . 1 1 47 47 ASN CB C 13 43.82 . . 1 . . . A 38 ASN CB . 25459 1 287 . 1 1 47 47 ASN CG C 13 177.29 . . 1 . . . A 38 ASN CG . 25459 1 288 . 1 1 47 47 ASN N N 15 115.23 . . 1 . . . A 38 ASN N . 25459 1 289 . 1 1 47 47 ASN ND2 N 15 111.00 . . 1 . . . A 38 ASN ND2 . 25459 1 290 . 1 1 48 48 ILE H H 1 7.927 . . 1 . . . A 39 ILE H . 25459 1 291 . 1 1 48 48 ILE HA H 1 4.747 . . 1 . . . A 39 ILE HA . 25459 1 292 . 1 1 48 48 ILE HB H 1 1.496 . . 1 . . . A 39 ILE HB . 25459 1 293 . 1 1 48 48 ILE HG12 H 1 0.890 . . 2 . . . A 39 ILE HG12 . 25459 1 294 . 1 1 48 48 ILE HG13 H 1 1.304 . . 2 . . . A 39 ILE HG13 . 25459 1 295 . 1 1 48 48 ILE HG21 H 1 0.761 . . 1 . . . A 39 ILE HG21 . 25459 1 296 . 1 1 48 48 ILE HG22 H 1 0.761 . . 1 . . . A 39 ILE HG22 . 25459 1 297 . 1 1 48 48 ILE HG23 H 1 0.761 . . 1 . . . A 39 ILE HG23 . 25459 1 298 . 1 1 48 48 ILE HD11 H 1 0.708 . . 1 . . . A 39 ILE HD11 . 25459 1 299 . 1 1 48 48 ILE HD12 H 1 0.708 . . 1 . . . A 39 ILE HD12 . 25459 1 300 . 1 1 48 48 ILE HD13 H 1 0.708 . . 1 . . . A 39 ILE HD13 . 25459 1 301 . 1 1 48 48 ILE C C 13 173.85 . . 1 . . . A 39 ILE C . 25459 1 302 . 1 1 48 48 ILE CA C 13 59.72 . . 1 . . . A 39 ILE CA . 25459 1 303 . 1 1 48 48 ILE CB C 13 40.80 . . 1 . . . A 39 ILE CB . 25459 1 304 . 1 1 48 48 ILE N N 15 117.77 . . 1 . . . A 39 ILE N . 25459 1 305 . 1 1 49 49 TYR H H 1 9.170 . . 1 . . . A 40 TYR H . 25459 1 306 . 1 1 49 49 TYR HA H 1 4.828 . . 1 . . . A 40 TYR HA . 25459 1 307 . 1 1 49 49 TYR HB2 H 1 2.344 . . 2 . . . A 40 TYR HB2 . 25459 1 308 . 1 1 49 49 TYR HB3 H 1 3.148 . . 2 . . . A 40 TYR HB3 . 25459 1 309 . 1 1 49 49 TYR HD1 H 1 6.974 . . 3 . . . A 40 TYR HD1 . 25459 1 310 . 1 1 49 49 TYR HE1 H 1 6.567 . . 3 . . . A 40 TYR HE1 . 25459 1 311 . 1 1 49 49 TYR C C 13 174.79 . . 1 . . . A 40 TYR C . 25459 1 312 . 1 1 49 49 TYR CA C 13 55.62 . . 1 . . . A 40 TYR CA . 25459 1 313 . 1 1 49 49 TYR CB C 13 41.48 . . 1 . . . A 40 TYR CB . 25459 1 314 . 1 1 49 49 TYR N N 15 122.94 . . 1 . . . A 40 TYR N . 25459 1 315 . 1 1 50 50 THR H H 1 8.675 . . 1 . . . A 41 THR H . 25459 1 316 . 1 1 50 50 THR HA H 1 5.329 . . 1 . . . A 41 THR HA . 25459 1 317 . 1 1 50 50 THR HB H 1 4.141 . . 1 . . . A 41 THR HB . 25459 1 318 . 1 1 50 50 THR HG21 H 1 1.180 . . 1 . . . A 41 THR HG21 . 25459 1 319 . 1 1 50 50 THR HG22 H 1 1.180 . . 1 . . . A 41 THR HG22 . 25459 1 320 . 1 1 50 50 THR HG23 H 1 1.180 . . 1 . . . A 41 THR HG23 . 25459 1 321 . 1 1 50 50 THR C C 13 172.18 . . 1 . . . A 41 THR C . 25459 1 322 . 1 1 50 50 THR CA C 13 59.08 . . 1 . . . A 41 THR CA . 25459 1 323 . 1 1 50 50 THR CB C 13 72.02 . . 1 . . . A 41 THR CB . 25459 1 324 . 1 1 50 50 THR N N 15 113.39 . . 1 . . . A 41 THR N . 25459 1 325 . 1 1 51 51 ALA H H 1 7.974 . . 1 . . . A 42 ALA H . 25459 1 326 . 1 1 51 51 ALA HA H 1 4.477 . . 1 . . . A 42 ALA HA . 25459 1 327 . 1 1 51 51 ALA HB1 H 1 1.203 . . 1 . . . A 42 ALA HB1 . 25459 1 328 . 1 1 51 51 ALA HB2 H 1 1.203 . . 1 . . . A 42 ALA HB2 . 25459 1 329 . 1 1 51 51 ALA HB3 H 1 1.203 . . 1 . . . A 42 ALA HB3 . 25459 1 330 . 1 1 51 51 ALA C C 13 175.61 . . 1 . . . A 42 ALA C . 25459 1 331 . 1 1 51 51 ALA CA C 13 51.36 . . 1 . . . A 42 ALA CA . 25459 1 332 . 1 1 51 51 ALA CB C 13 24.13 . . 1 . . . A 42 ALA CB . 25459 1 333 . 1 1 51 51 ALA N N 15 124.64 . . 1 . . . A 42 ALA N . 25459 1 334 . 1 1 52 52 ASN H H 1 9.139 . . 1 . . . A 43 ASN H . 25459 1 335 . 1 1 52 52 ASN HA H 1 5.063 . . 1 . . . A 43 ASN HA . 25459 1 336 . 1 1 52 52 ASN HB2 H 1 2.838 . . 2 . . . A 43 ASN HB2 . 25459 1 337 . 1 1 52 52 ASN HB3 H 1 2.537 . . 2 . . . A 43 ASN HB3 . 25459 1 338 . 1 1 52 52 ASN HD21 H 1 7.667 . . 2 . . . A 43 ASN HD21 . 25459 1 339 . 1 1 52 52 ASN HD22 H 1 6.936 . . 2 . . . A 43 ASN HD22 . 25459 1 340 . 1 1 52 52 ASN C C 13 173.95 . . 1 . . . A 43 ASN C . 25459 1 341 . 1 1 52 52 ASN CA C 13 51.51 . . 1 . . . A 43 ASN CA . 25459 1 342 . 1 1 52 52 ASN CB C 13 39.34 . . 1 . . . A 43 ASN CB . 25459 1 343 . 1 1 52 52 ASN CG C 13 176.29 . . 1 . . . A 43 ASN CG . 25459 1 344 . 1 1 52 52 ASN N N 15 120.45 . . 1 . . . A 43 ASN N . 25459 1 345 . 1 1 52 52 ASN ND2 N 15 111.90 . . 1 . . . A 43 ASN ND2 . 25459 1 346 . 1 1 53 53 ARG H H 1 8.532 . . 1 . . . A 44 ARG H . 25459 1 347 . 1 1 53 53 ARG HA H 1 3.639 . . 1 . . . A 44 ARG HA . 25459 1 348 . 1 1 53 53 ARG HB2 H 1 1.720 . . 2 . . . A 44 ARG HB2 . 25459 1 349 . 1 1 53 53 ARG HB3 H 1 1.525 . . 2 . . . A 44 ARG HB3 . 25459 1 350 . 1 1 53 53 ARG HG3 H 1 1.601 . . 2 . . . A 44 ARG HG3 . 25459 1 351 . 1 1 53 53 ARG HD2 H 1 3.288 . . 2 . . . A 44 ARG HD2 . 25459 1 352 . 1 1 53 53 ARG HD3 H 1 3.363 . . 2 . . . A 44 ARG HD3 . 25459 1 353 . 1 1 53 53 ARG HE H 1 7.306 . . 1 . . . A 44 ARG HE . 25459 1 354 . 1 1 53 53 ARG C C 13 178.05 . . 1 . . . A 44 ARG C . 25459 1 355 . 1 1 53 53 ARG CA C 13 57.18 . . 1 . . . A 44 ARG CA . 25459 1 356 . 1 1 53 53 ARG CB C 13 31.96 . . 1 . . . A 44 ARG CB . 25459 1 357 . 1 1 53 53 ARG N N 15 115.13 . . 1 . . . A 44 ARG N . 25459 1 358 . 1 1 53 53 ARG NE N 15 84.95 . . 1 . . . A 44 ARG NE . 25459 1 359 . 1 1 54 54 ASN H H 1 7.821 . . 1 . . . A 45 ASN H . 25459 1 360 . 1 1 54 54 ASN HA H 1 4.425 . . 1 . . . A 45 ASN HA . 25459 1 361 . 1 1 54 54 ASN HB2 H 1 2.930 . . 2 . . . A 45 ASN HB2 . 25459 1 362 . 1 1 54 54 ASN HB3 H 1 3.116 . . 2 . . . A 45 ASN HB3 . 25459 1 363 . 1 1 54 54 ASN HD21 H 1 7.424 . . 2 . . . A 45 ASN HD21 . 25459 1 364 . 1 1 54 54 ASN HD22 H 1 6.840 . . 2 . . . A 45 ASN HD22 . 25459 1 365 . 1 1 54 54 ASN C C 13 174.38 . . 1 . . . A 45 ASN C . 25459 1 366 . 1 1 54 54 ASN CA C 13 54.54 . . 1 . . . A 45 ASN CA . 25459 1 367 . 1 1 54 54 ASN CB C 13 36.53 . . 1 . . . A 45 ASN CB . 25459 1 368 . 1 1 54 54 ASN CG C 13 178.08 . . 1 . . . A 45 ASN CG . 25459 1 369 . 1 1 54 54 ASN N N 15 118.47 . . 1 . . . A 45 ASN N . 25459 1 370 . 1 1 54 54 ASN ND2 N 15 111.50 . . 1 . . . A 45 ASN ND2 . 25459 1 371 . 1 1 55 55 GLU H H 1 7.505 . . 1 . . . A 46 GLU H . 25459 1 372 . 1 1 55 55 GLU HA H 1 4.592 . . 1 . . . A 46 GLU HA . 25459 1 373 . 1 1 55 55 GLU HB2 H 1 1.976 . . 2 . . . A 46 GLU HB2 . 25459 1 374 . 1 1 55 55 GLU HB3 H 1 1.714 . . 2 . . . A 46 GLU HB3 . 25459 1 375 . 1 1 55 55 GLU HG2 H 1 2.164 . . 2 . . . A 46 GLU HG2 . 25459 1 376 . 1 1 55 55 GLU HG3 H 1 2.241 . . 2 . . . A 46 GLU HG3 . 25459 1 377 . 1 1 55 55 GLU C C 13 174.33 . . 1 . . . A 46 GLU C . 25459 1 378 . 1 1 55 55 GLU CA C 13 55.31 . . 1 . . . A 46 GLU CA . 25459 1 379 . 1 1 55 55 GLU CB C 13 33.38 . . 1 . . . A 46 GLU CB . 25459 1 380 . 1 1 55 55 GLU N N 15 118.81 . . 1 . . . A 46 GLU N . 25459 1 381 . 1 1 56 56 GLU H H 1 8.353 . . 1 . . . A 47 GLU H . 25459 1 382 . 1 1 56 56 GLU HA H 1 5.284 . . 1 . . . A 47 GLU HA . 25459 1 383 . 1 1 56 56 GLU HB2 H 1 2.039 . . 2 . . . A 47 GLU HB2 . 25459 1 384 . 1 1 56 56 GLU HB3 H 1 2.092 . . 2 . . . A 47 GLU HB3 . 25459 1 385 . 1 1 56 56 GLU HG2 H 1 2.253 . . 2 . . . A 47 GLU HG2 . 25459 1 386 . 1 1 56 56 GLU C C 13 176.87 . . 1 . . . A 47 GLU C . 25459 1 387 . 1 1 56 56 GLU CA C 13 54.69 . . 1 . . . A 47 GLU CA . 25459 1 388 . 1 1 56 56 GLU CB C 13 32.04 . . 1 . . . A 47 GLU CB . 25459 1 389 . 1 1 56 56 GLU N N 15 122.76 . . 1 . . . A 47 GLU N . 25459 1 390 . 1 1 57 57 ILE H H 1 9.274 . . 1 . . . A 48 ILE H . 25459 1 391 . 1 1 57 57 ILE HA H 1 4.782 . . 1 . . . A 48 ILE HA . 25459 1 392 . 1 1 57 57 ILE HB H 1 1.869 . . 1 . . . A 48 ILE HB . 25459 1 393 . 1 1 57 57 ILE HG12 H 1 1.122 . . 2 . . . A 48 ILE HG12 . 25459 1 394 . 1 1 57 57 ILE HG13 H 1 0.846 . . 2 . . . A 48 ILE HG13 . 25459 1 395 . 1 1 57 57 ILE HG21 H 1 0.871 . . 1 . . . A 48 ILE HG21 . 25459 1 396 . 1 1 57 57 ILE HG22 H 1 0.871 . . 1 . . . A 48 ILE HG22 . 25459 1 397 . 1 1 57 57 ILE HG23 H 1 0.871 . . 1 . . . A 48 ILE HG23 . 25459 1 398 . 1 1 57 57 ILE HD11 H 1 0.523 . . 1 . . . A 48 ILE HD11 . 25459 1 399 . 1 1 57 57 ILE HD12 H 1 0.523 . . 1 . . . A 48 ILE HD12 . 25459 1 400 . 1 1 57 57 ILE HD13 H 1 0.523 . . 1 . . . A 48 ILE HD13 . 25459 1 401 . 1 1 57 57 ILE C C 13 174.56 . . 1 . . . A 48 ILE C . 25459 1 402 . 1 1 57 57 ILE CA C 13 59.59 . . 1 . . . A 48 ILE CA . 25459 1 403 . 1 1 57 57 ILE CB C 13 41.31 . . 1 . . . A 48 ILE CB . 25459 1 404 . 1 1 57 57 ILE N N 15 121.00 . . 1 . . . A 48 ILE N . 25459 1 405 . 1 1 58 58 THR H H 1 8.118 . . 1 . . . A 49 THR H . 25459 1 406 . 1 1 58 58 THR HA H 1 4.994 . . 1 . . . A 49 THR HA . 25459 1 407 . 1 1 58 58 THR HB H 1 3.858 . . 1 . . . A 49 THR HB . 25459 1 408 . 1 1 58 58 THR HG21 H 1 0.962 . . 1 . . . A 49 THR HG21 . 25459 1 409 . 1 1 58 58 THR HG22 H 1 0.962 . . 1 . . . A 49 THR HG22 . 25459 1 410 . 1 1 58 58 THR HG23 H 1 0.962 . . 1 . . . A 49 THR HG23 . 25459 1 411 . 1 1 58 58 THR C C 13 174.71 . . 1 . . . A 49 THR C . 25459 1 412 . 1 1 58 58 THR CA C 13 61.03 . . 1 . . . A 49 THR CA . 25459 1 413 . 1 1 58 58 THR CB C 13 70.02 . . 1 . . . A 49 THR CB . 25459 1 414 . 1 1 58 58 THR N N 15 115.49 . . 1 . . . A 49 THR N . 25459 1 415 . 1 1 59 59 ILE H H 1 8.805 . . 1 . . . A 50 ILE H . 25459 1 416 . 1 1 59 59 ILE HA H 1 3.700 . . 1 . . . A 50 ILE HA . 25459 1 417 . 1 1 59 59 ILE HB H 1 1.368 . . 1 . . . A 50 ILE HB . 25459 1 418 . 1 1 59 59 ILE HG12 H 1 -0.21 . . 2 . . . A 50 ILE HG12 . 25459 1 419 . 1 1 59 59 ILE HG13 H 1 0.906 . . 2 . . . A 50 ILE HG13 . 25459 1 420 . 1 1 59 59 ILE HG21 H 1 0.492 . . 1 . . . A 50 ILE HG21 . 25459 1 421 . 1 1 59 59 ILE HG22 H 1 0.492 . . 1 . . . A 50 ILE HG22 . 25459 1 422 . 1 1 59 59 ILE HG23 H 1 0.492 . . 1 . . . A 50 ILE HG23 . 25459 1 423 . 1 1 59 59 ILE HD11 H 1 0.188 . . 1 . . . A 50 ILE HD11 . 25459 1 424 . 1 1 59 59 ILE HD12 H 1 0.188 . . 1 . . . A 50 ILE HD12 . 25459 1 425 . 1 1 59 59 ILE HD13 H 1 0.188 . . 1 . . . A 50 ILE HD13 . 25459 1 426 . 1 1 59 59 ILE C C 13 175.00 . . 1 . . . A 50 ILE C . 25459 1 427 . 1 1 59 59 ILE CA C 13 60.90 . . 1 . . . A 50 ILE CA . 25459 1 428 . 1 1 59 59 ILE CB C 13 39.58 . . 1 . . . A 50 ILE CB . 25459 1 429 . 1 1 59 59 ILE N N 15 128.13 . . 1 . . . A 50 ILE N . 25459 1 430 . 1 1 60 60 GLU H H 1 8.829 . . 1 . . . A 51 GLU H . 25459 1 431 . 1 1 60 60 GLU HA H 1 3.604 . . 1 . . . A 51 GLU HA . 25459 1 432 . 1 1 60 60 GLU HB2 H 1 2.108 . . 2 . . . A 51 GLU HB2 . 25459 1 433 . 1 1 60 60 GLU HB3 H 1 2.014 . . 2 . . . A 51 GLU HB3 . 25459 1 434 . 1 1 60 60 GLU HG2 H 1 2.276 . . 2 . . . A 51 GLU HG2 . 25459 1 435 . 1 1 60 60 GLU HG3 H 1 1.909 . . 2 . . . A 51 GLU HG3 . 25459 1 436 . 1 1 60 60 GLU C C 13 175.57 . . 1 . . . A 51 GLU C . 25459 1 437 . 1 1 60 60 GLU CA C 13 58.49 . . 1 . . . A 51 GLU CA . 25459 1 438 . 1 1 60 60 GLU CB C 13 26.49 . . 1 . . . A 51 GLU CB . 25459 1 439 . 1 1 60 60 GLU N N 15 123.51 . . 1 . . . A 51 GLU N . 25459 1 440 . 1 1 61 61 GLU H H 1 7.161 . . 1 . . . A 52 GLU H . 25459 1 441 . 1 1 61 61 GLU HA H 1 4.121 . . 1 . . . A 52 GLU HA . 25459 1 442 . 1 1 61 61 GLU HB2 H 1 1.554 . . 2 . . . A 52 GLU HB2 . 25459 1 443 . 1 1 61 61 GLU HB3 H 1 1.587 . . 2 . . . A 52 GLU HB3 . 25459 1 444 . 1 1 61 61 GLU HG2 H 1 1.832 . . 2 . . . A 52 GLU HG2 . 25459 1 445 . 1 1 61 61 GLU HG3 H 1 1.930 . . 2 . . . A 52 GLU HG3 . 25459 1 446 . 1 1 61 61 GLU C C 13 176.02 . . 1 . . . A 52 GLU C . 25459 1 447 . 1 1 61 61 GLU CA C 13 56.59 . . 1 . . . A 52 GLU CA . 25459 1 448 . 1 1 61 61 GLU CB C 13 29.04 . . 1 . . . A 52 GLU CB . 25459 1 449 . 1 1 61 61 GLU N N 15 117.48 . . 1 . . . A 52 GLU N . 25459 1 450 . 1 1 62 62 TYR H H 1 8.352 . . 1 . . . A 53 TYR H . 25459 1 451 . 1 1 62 62 TYR HA H 1 4.764 . . 1 . . . A 53 TYR HA . 25459 1 452 . 1 1 62 62 TYR HB2 H 1 3.054 . . 2 . . . A 53 TYR HB2 . 25459 1 453 . 1 1 62 62 TYR HB3 H 1 2.920 . . 2 . . . A 53 TYR HB3 . 25459 1 454 . 1 1 62 62 TYR HD2 H 1 7.105 . . 3 . . . A 53 TYR HD2 . 25459 1 455 . 1 1 62 62 TYR HE2 H 1 6.752 . . 3 . . . A 53 TYR HE2 . 25459 1 456 . 1 1 62 62 TYR C C 13 175.26 . . 1 . . . A 53 TYR C . 25459 1 457 . 1 1 62 62 TYR CA C 13 56.18 . . 1 . . . A 53 TYR CA . 25459 1 458 . 1 1 62 62 TYR CB C 13 39.05 . . 1 . . . A 53 TYR CB . 25459 1 459 . 1 1 62 62 TYR N N 15 122.99 . . 1 . . . A 53 TYR N . 25459 1 460 . 1 1 63 63 LYS H H 1 8.328 . . 1 . . . A 54 LYS H . 25459 1 461 . 1 1 63 63 LYS HA H 1 4.765 . . 1 . . . A 54 LYS HA . 25459 1 462 . 1 1 63 63 LYS HB2 H 1 1.789 . . 2 . . . A 54 LYS HB2 . 25459 1 463 . 1 1 63 63 LYS HB3 H 1 1.639 . . 2 . . . A 54 LYS HB3 . 25459 1 464 . 1 1 63 63 LYS HG2 H 1 1.449 . . 2 . . . A 54 LYS HG2 . 25459 1 465 . 1 1 63 63 LYS HD2 H 1 1.336 . . 2 . . . A 54 LYS HD2 . 25459 1 466 . 1 1 63 63 LYS HD3 H 1 1.479 . . 2 . . . A 54 LYS HD3 . 25459 1 467 . 1 1 63 63 LYS HE2 H 1 4.134 . . 2 . . . A 54 LYS HE2 . 25459 1 468 . 1 1 63 63 LYS HE3 H 1 2.878 . . 2 . . . A 54 LYS HE3 . 25459 1 469 . 1 1 63 63 LYS C C 13 176.81 . . 1 . . . A 54 LYS C . 25459 1 470 . 1 1 63 63 LYS CA C 13 55.77 . . 1 . . . A 54 LYS CA . 25459 1 471 . 1 1 63 63 LYS CB C 13 32.99 . . 1 . . . A 54 LYS CB . 25459 1 472 . 1 1 63 63 LYS N N 15 122.72 . . 1 . . . A 54 LYS N . 25459 1 473 . 1 1 64 64 VAL H H 1 8.924 . . 1 . . . A 55 VAL H . 25459 1 474 . 1 1 64 64 VAL HA H 1 4.551 . . 1 . . . A 55 VAL HA . 25459 1 475 . 1 1 64 64 VAL HB H 1 1.637 . . 1 . . . A 55 VAL HB . 25459 1 476 . 1 1 64 64 VAL HG11 H 1 0.637 . . 2 . . . A 55 VAL HG11 . 25459 1 477 . 1 1 64 64 VAL HG12 H 1 0.637 . . 2 . . . A 55 VAL HG12 . 25459 1 478 . 1 1 64 64 VAL HG13 H 1 0.637 . . 2 . . . A 55 VAL HG13 . 25459 1 479 . 1 1 64 64 VAL HG21 H 1 0.676 . . 2 . . . A 55 VAL HG21 . 25459 1 480 . 1 1 64 64 VAL HG22 H 1 0.676 . . 2 . . . A 55 VAL HG22 . 25459 1 481 . 1 1 64 64 VAL HG23 H 1 0.676 . . 2 . . . A 55 VAL HG23 . 25459 1 482 . 1 1 64 64 VAL C C 13 173.98 . . 1 . . . A 55 VAL C . 25459 1 483 . 1 1 64 64 VAL CA C 13 60.95 . . 1 . . . A 55 VAL CA . 25459 1 484 . 1 1 64 64 VAL CB C 13 35.71 . . 1 . . . A 55 VAL CB . 25459 1 485 . 1 1 64 64 VAL N N 15 125.31 . . 1 . . . A 55 VAL N . 25459 1 486 . 1 1 65 65 PHE H H 1 9.064 . . 1 . . . A 56 PHE H . 25459 1 487 . 1 1 65 65 PHE HA H 1 4.918 . . 1 . . . A 56 PHE HA . 25459 1 488 . 1 1 65 65 PHE HB2 H 1 3.233 . . 2 . . . A 56 PHE HB2 . 25459 1 489 . 1 1 65 65 PHE HB3 H 1 3.006 . . 2 . . . A 56 PHE HB3 . 25459 1 490 . 1 1 65 65 PHE HD2 H 1 7.126 . . 3 . . . A 56 PHE HD2 . 25459 1 491 . 1 1 65 65 PHE HE2 H 1 7.210 . . 3 . . . A 56 PHE HE2 . 25459 1 492 . 1 1 65 65 PHE HZ H 1 7.265 . . 1 . . . A 56 PHE HZ . 25459 1 493 . 1 1 65 65 PHE C C 13 174.24 . . 1 . . . A 56 PHE C . 25459 1 494 . 1 1 65 65 PHE CA C 13 57.31 . . 1 . . . A 56 PHE CA . 25459 1 495 . 1 1 65 65 PHE CB C 13 41.68 . . 1 . . . A 56 PHE CB . 25459 1 496 . 1 1 65 65 PHE N N 15 127.45 . . 1 . . . A 56 PHE N . 25459 1 497 . 1 1 66 66 VAL H H 1 7.908 . . 1 . . . A 57 VAL H . 25459 1 498 . 1 1 66 66 VAL HA H 1 4.068 . . 1 . . . A 57 VAL HA . 25459 1 499 . 1 1 66 66 VAL HB H 1 2.056 . . 1 . . . A 57 VAL HB . 25459 1 500 . 1 1 66 66 VAL HG11 H 1 0.599 . . 2 . . . A 57 VAL HG11 . 25459 1 501 . 1 1 66 66 VAL HG12 H 1 0.599 . . 2 . . . A 57 VAL HG12 . 25459 1 502 . 1 1 66 66 VAL HG13 H 1 0.599 . . 2 . . . A 57 VAL HG13 . 25459 1 503 . 1 1 66 66 VAL HG21 H 1 0.477 . . 2 . . . A 57 VAL HG21 . 25459 1 504 . 1 1 66 66 VAL HG22 H 1 0.477 . . 2 . . . A 57 VAL HG22 . 25459 1 505 . 1 1 66 66 VAL HG23 H 1 0.477 . . 2 . . . A 57 VAL HG23 . 25459 1 506 . 1 1 66 66 VAL C C 13 175.31 . . 1 . . . A 57 VAL C . 25459 1 507 . 1 1 66 66 VAL CA C 13 61.77 . . 1 . . . A 57 VAL CA . 25459 1 508 . 1 1 66 66 VAL CB C 13 31.72 . . 1 . . . A 57 VAL CB . 25459 1 509 . 1 1 66 66 VAL N N 15 130.28 . . 1 . . . A 57 VAL N . 25459 1 510 . 1 1 67 67 ASN H H 1 7.886 . . 1 . . . A 58 ASN H . 25459 1 511 . 1 1 67 67 ASN HA H 1 4.597 . . 1 . . . A 58 ASN HA . 25459 1 512 . 1 1 67 67 ASN HB2 H 1 3.219 . . 2 . . . A 58 ASN HB2 . 25459 1 513 . 1 1 67 67 ASN HB3 H 1 3.870 . . 2 . . . A 58 ASN HB3 . 25459 1 514 . 1 1 67 67 ASN HD21 H 1 7.840 . . 2 . . . A 58 ASN HD21 . 25459 1 515 . 1 1 67 67 ASN HD22 H 1 7.457 . . 2 . . . A 58 ASN HD22 . 25459 1 516 . 1 1 67 67 ASN C C 13 177.61 . . 1 . . . A 58 ASN C . 25459 1 517 . 1 1 67 67 ASN CA C 13 51.56 . . 1 . . . A 58 ASN CA . 25459 1 518 . 1 1 67 67 ASN CB C 13 38.89 . . 1 . . . A 58 ASN CB . 25459 1 519 . 1 1 67 67 ASN CG C 13 177.55 . . 1 . . . A 58 ASN CG . 25459 1 520 . 1 1 67 67 ASN N N 15 124.48 . . 1 . . . A 58 ASN N . 25459 1 521 . 1 1 67 67 ASN ND2 N 15 112.96 . . 1 . . . A 58 ASN ND2 . 25459 1 522 . 1 1 68 68 GLU H H 1 8.585 . . 1 . . . A 59 GLU H . 25459 1 523 . 1 1 68 68 GLU HA H 1 3.945 . . 1 . . . A 59 GLU HA . 25459 1 524 . 1 1 68 68 GLU HB2 H 1 2.234 . . 2 . . . A 59 GLU HB2 . 25459 1 525 . 1 1 68 68 GLU HB3 H 1 2.212 . . 2 . . . A 59 GLU HB3 . 25459 1 526 . 1 1 68 68 GLU HG2 H 1 2.308 . . 2 . . . A 59 GLU HG2 . 25459 1 527 . 1 1 68 68 GLU HG3 H 1 2.406 . . 2 . . . A 59 GLU HG3 . 25459 1 528 . 1 1 68 68 GLU C C 13 175.74 . . 1 . . . A 59 GLU C . 25459 1 529 . 1 1 68 68 GLU CA C 13 58.57 . . 1 . . . A 59 GLU CA . 25459 1 530 . 1 1 68 68 GLU CB C 13 28.85 . . 1 . . . A 59 GLU CB . 25459 1 531 . 1 1 68 68 GLU N N 15 115.50 . . 1 . . . A 59 GLU N . 25459 1 532 . 1 1 69 69 ALA H H 1 7.730 . . 1 . . . A 60 ALA H . 25459 1 533 . 1 1 69 69 ALA HA H 1 4.708 . . 1 . . . A 60 ALA HA . 25459 1 534 . 1 1 69 69 ALA HB1 H 1 1.265 . . 1 . . . A 60 ALA HB1 . 25459 1 535 . 1 1 69 69 ALA HB2 H 1 1.265 . . 1 . . . A 60 ALA HB2 . 25459 1 536 . 1 1 69 69 ALA HB3 H 1 1.265 . . 1 . . . A 60 ALA HB3 . 25459 1 537 . 1 1 69 69 ALA C C 13 175.81 . . 1 . . . A 60 ALA C . 25459 1 538 . 1 1 69 69 ALA CA C 13 50.56 . . 1 . . . A 60 ALA CA . 25459 1 539 . 1 1 69 69 ALA CB C 13 18.39 . . 1 . . . A 60 ALA CB . 25459 1 540 . 1 1 69 69 ALA N N 15 123.07 . . 1 . . . A 60 ALA N . 25459 1 541 . 1 1 70 70 CYS H H 1 7.729 . . 1 . . . A 61 CYS H . 25459 1 542 . 1 1 70 70 CYS HA H 1 3.784 . . 1 . . . A 61 CYS HA . 25459 1 543 . 1 1 70 70 CYS HB2 H 1 2.905 . . 2 . . . A 61 CYS HB2 . 25459 1 544 . 1 1 70 70 CYS HB3 H 1 2.376 . . 2 . . . A 61 CYS HB3 . 25459 1 545 . 1 1 70 70 CYS C C 13 172.82 . . 1 . . . A 61 CYS C . 25459 1 546 . 1 1 70 70 CYS CA C 13 54.72 . . 1 . . . A 61 CYS CA . 25459 1 547 . 1 1 70 70 CYS CB C 13 31.33 . . 1 . . . A 61 CYS CB . 25459 1 548 . 1 1 70 70 CYS N N 15 107.57 . . 1 . . . A 61 CYS N . 25459 1 549 . 1 1 71 71 HIS H H 1 7.800 . . 1 . . . A 62 HIS H . 25459 1 550 . 1 1 71 71 HIS HA H 1 5.011 . . 1 . . . A 62 HIS HA . 25459 1 551 . 1 1 71 71 HIS HB2 H 1 3.194 . . 2 . . . A 62 HIS HB2 . 25459 1 552 . 1 1 71 71 HIS HB3 H 1 3.001 . . 2 . . . A 62 HIS HB3 . 25459 1 553 . 1 1 71 71 HIS HD1 H 1 7.108 . . 1 . . . A 62 HIS HD1 . 25459 1 554 . 1 1 71 71 HIS HE1 H 1 8.210 . . 1 . . . A 62 HIS HE1 . 25459 1 555 . 1 1 71 71 HIS C C 13 172.73 . . 1 . . . A 62 HIS C . 25459 1 556 . 1 1 71 71 HIS CA C 13 52.56 . . 1 . . . A 62 HIS CA . 25459 1 557 . 1 1 71 71 HIS CB C 13 29.74 . . 1 . . . A 62 HIS CB . 25459 1 558 . 1 1 71 71 HIS N N 15 115.36 . . 1 . . . A 62 HIS N . 25459 1 559 . 1 1 72 72 PRO HA H 1 5.142 . . 1 . . . A 63 PRO HA . 25459 1 560 . 1 1 72 72 PRO HB2 H 1 1.480 . . 2 . . . A 63 PRO HB2 . 25459 1 561 . 1 1 72 72 PRO HB3 H 1 1.832 . . 2 . . . A 63 PRO HB3 . 25459 1 562 . 1 1 72 72 PRO HG2 H 1 1.950 . . 2 . . . A 63 PRO HG2 . 25459 1 563 . 1 1 72 72 PRO HD2 H 1 3.570 . . 2 . . . A 63 PRO HD2 . 25459 1 564 . 1 1 72 72 PRO HD3 H 1 3.777 . . 2 . . . A 63 PRO HD3 . 25459 1 565 . 1 1 72 72 PRO C C 13 175.74 . . 1 . . . A 63 PRO C . 25459 1 566 . 1 1 72 72 PRO CA C 13 61.44 . . 1 . . . A 63 PRO CA . 25459 1 567 . 1 1 72 72 PRO CB C 13 32.46 . . 1 . . . A 63 PRO CB . 25459 1 568 . 1 1 73 73 TYR H H 1 8.805 . . 1 . . . A 64 TYR H . 25459 1 569 . 1 1 73 73 TYR HA H 1 4.476 . . 1 . . . A 64 TYR HA . 25459 1 570 . 1 1 73 73 TYR HB2 H 1 3.100 . . 2 . . . A 64 TYR HB2 . 25459 1 571 . 1 1 73 73 TYR HB3 H 1 3.003 . . 2 . . . A 64 TYR HB3 . 25459 1 572 . 1 1 73 73 TYR HD1 H 1 7.240 . . 3 . . . A 64 TYR HD1 . 25459 1 573 . 1 1 73 73 TYR HE1 H 1 6.855 . . 3 . . . A 64 TYR HE1 . 25459 1 574 . 1 1 73 73 TYR C C 13 174.61 . . 1 . . . A 64 TYR C . 25459 1 575 . 1 1 73 73 TYR CA C 13 56.69 . . 1 . . . A 64 TYR CA . 25459 1 576 . 1 1 73 73 TYR CB C 13 41.93 . . 1 . . . A 64 TYR CB . 25459 1 577 . 1 1 73 73 TYR N N 15 118.70 . . 1 . . . A 64 TYR N . 25459 1 578 . 1 1 74 74 PRO HA H 1 4.481 . . 1 . . . A 65 PRO HA . 25459 1 579 . 1 1 74 74 PRO HB2 H 1 1.933 . . 2 . . . A 65 PRO HB2 . 25459 1 580 . 1 1 74 74 PRO HB3 H 1 2.058 . . 2 . . . A 65 PRO HB3 . 25459 1 581 . 1 1 74 74 PRO HG2 H 1 1.560 . . 2 . . . A 65 PRO HG2 . 25459 1 582 . 1 1 74 74 PRO HG3 H 1 1.789 . . 2 . . . A 65 PRO HG3 . 25459 1 583 . 1 1 74 74 PRO HD2 H 1 3.468 . . 2 . . . A 65 PRO HD2 . 25459 1 584 . 1 1 74 74 PRO HD3 H 1 3.742 . . 2 . . . A 65 PRO HD3 . 25459 1 585 . 1 1 74 74 PRO C C 13 173.36 . . 1 . . . A 65 PRO C . 25459 1 586 . 1 1 74 74 PRO CA C 13 62.75 . . 1 . . . A 65 PRO CA . 25459 1 587 . 1 1 74 74 PRO CB C 13 34.42 . . 1 . . . A 65 PRO CB . 25459 1 588 . 1 1 75 75 VAL H H 1 7.680 . . 1 . . . A 66 VAL H . 25459 1 589 . 1 1 75 75 VAL HA H 1 3.847 . . 1 . . . A 66 VAL HA . 25459 1 590 . 1 1 75 75 VAL HB H 1 2.044 . . 1 . . . A 66 VAL HB . 25459 1 591 . 1 1 75 75 VAL HG11 H 1 1.087 . . 2 . . . A 66 VAL HG11 . 25459 1 592 . 1 1 75 75 VAL HG12 H 1 1.087 . . 2 . . . A 66 VAL HG12 . 25459 1 593 . 1 1 75 75 VAL HG13 H 1 1.087 . . 2 . . . A 66 VAL HG13 . 25459 1 594 . 1 1 75 75 VAL C C 13 175.21 . . 1 . . . A 66 VAL C . 25459 1 595 . 1 1 75 75 VAL CA C 13 63.90 . . 1 . . . A 66 VAL CA . 25459 1 596 . 1 1 75 75 VAL CB C 13 32.87 . . 1 . . . A 66 VAL CB . 25459 1 597 . 1 1 75 75 VAL N N 15 113.01 . . 1 . . . A 66 VAL N . 25459 1 598 . 1 1 76 76 ILE H H 1 7.227 . . 1 . . . A 67 ILE H . 25459 1 599 . 1 1 76 76 ILE HA H 1 4.832 . . 1 . . . A 67 ILE HA . 25459 1 600 . 1 1 76 76 ILE HB H 1 1.627 . . 1 . . . A 67 ILE HB . 25459 1 601 . 1 1 76 76 ILE HG12 H 1 1.059 . . 2 . . . A 67 ILE HG12 . 25459 1 602 . 1 1 76 76 ILE HG13 H 1 1.485 . . 2 . . . A 67 ILE HG13 . 25459 1 603 . 1 1 76 76 ILE HG21 H 1 0.869 . . 1 . . . A 67 ILE HG21 . 25459 1 604 . 1 1 76 76 ILE HG22 H 1 0.869 . . 1 . . . A 67 ILE HG22 . 25459 1 605 . 1 1 76 76 ILE HG23 H 1 0.869 . . 1 . . . A 67 ILE HG23 . 25459 1 606 . 1 1 76 76 ILE HD11 H 1 0.766 . . 1 . . . A 67 ILE HD11 . 25459 1 607 . 1 1 76 76 ILE HD12 H 1 0.766 . . 1 . . . A 67 ILE HD12 . 25459 1 608 . 1 1 76 76 ILE HD13 H 1 0.766 . . 1 . . . A 67 ILE HD13 . 25459 1 609 . 1 1 76 76 ILE C C 13 176.98 . . 1 . . . A 67 ILE C . 25459 1 610 . 1 1 76 76 ILE CA C 13 58.90 . . 1 . . . A 67 ILE CA . 25459 1 611 . 1 1 76 76 ILE CB C 13 39.17 . . 1 . . . A 67 ILE CB . 25459 1 612 . 1 1 76 76 ILE N N 15 116.18 . . 1 . . . A 67 ILE N . 25459 1 613 . 1 1 77 77 LEU H H 1 8.492 . . 1 . . . A 68 LEU H . 25459 1 614 . 1 1 77 77 LEU HA H 1 4.341 . . 1 . . . A 68 LEU HA . 25459 1 615 . 1 1 77 77 LEU HB2 H 1 1.836 . . 2 . . . A 68 LEU HB2 . 25459 1 616 . 1 1 77 77 LEU HB3 H 1 0.747 . . 2 . . . A 68 LEU HB3 . 25459 1 617 . 1 1 77 77 LEU HG H 1 1.322 . . 1 . . . A 68 LEU HG . 25459 1 618 . 1 1 77 77 LEU HD11 H 1 0.716 . . 2 . . . A 68 LEU HD11 . 25459 1 619 . 1 1 77 77 LEU HD12 H 1 0.716 . . 2 . . . A 68 LEU HD12 . 25459 1 620 . 1 1 77 77 LEU HD13 H 1 0.716 . . 2 . . . A 68 LEU HD13 . 25459 1 621 . 1 1 77 77 LEU HD21 H 1 0.485 . . 2 . . . A 68 LEU HD21 . 25459 1 622 . 1 1 77 77 LEU HD22 H 1 0.485 . . 2 . . . A 68 LEU HD22 . 25459 1 623 . 1 1 77 77 LEU HD23 H 1 0.485 . . 2 . . . A 68 LEU HD23 . 25459 1 624 . 1 1 77 77 LEU C C 13 178.17 . . 1 . . . A 68 LEU C . 25459 1 625 . 1 1 77 77 LEU CA C 13 53.05 . . 1 . . . A 68 LEU CA . 25459 1 626 . 1 1 77 77 LEU CB C 13 40.45 . . 1 . . . A 68 LEU CB . 25459 1 627 . 1 1 77 77 LEU N N 15 126.14 . . 1 . . . A 68 LEU N . 25459 1 628 . 1 1 78 78 PRO HA H 1 4.237 . . 1 . . . A 69 PRO HA . 25459 1 629 . 1 1 78 78 PRO HB2 H 1 1.667 . . 2 . . . A 69 PRO HB2 . 25459 1 630 . 1 1 78 78 PRO HB3 H 1 2.432 . . 2 . . . A 69 PRO HB3 . 25459 1 631 . 1 1 78 78 PRO HG2 H 1 1.897 . . 2 . . . A 69 PRO HG2 . 25459 1 632 . 1 1 78 78 PRO HG3 H 1 1.785 . . 2 . . . A 69 PRO HG3 . 25459 1 633 . 1 1 78 78 PRO HD2 H 1 3.299 . . 2 . . . A 69 PRO HD2 . 25459 1 634 . 1 1 78 78 PRO HD3 H 1 2.013 . . 2 . . . A 69 PRO HD3 . 25459 1 635 . 1 1 78 78 PRO C C 13 176.49 . . 1 . . . A 69 PRO C . 25459 1 636 . 1 1 78 78 PRO CA C 13 65.13 . . 1 . . . A 69 PRO CA . 25459 1 637 . 1 1 78 78 PRO CB C 13 31.70 . . 1 . . . A 69 PRO CB . 25459 1 638 . 1 1 79 79 ASP H H 1 7.138 . . 1 . . . A 70 ASP H . 25459 1 639 . 1 1 79 79 ASP HA H 1 4.538 . . 1 . . . A 70 ASP HA . 25459 1 640 . 1 1 79 79 ASP HB2 H 1 2.994 . . 2 . . . A 70 ASP HB2 . 25459 1 641 . 1 1 79 79 ASP HB3 H 1 2.703 . . 2 . . . A 70 ASP HB3 . 25459 1 642 . 1 1 79 79 ASP C C 13 176.69 . . 1 . . . A 70 ASP C . 25459 1 643 . 1 1 79 79 ASP CA C 13 53.10 . . 1 . . . A 70 ASP CA . 25459 1 644 . 1 1 79 79 ASP CB C 13 39.40 . . 1 . . . A 70 ASP CB . 25459 1 645 . 1 1 79 79 ASP N N 15 113.54 . . 1 . . . A 70 ASP N . 25459 1 646 . 1 1 80 80 ARG H H 1 8.417 . . 1 . . . A 71 ARG H . 25459 1 647 . 1 1 80 80 ARG HA H 1 3.641 . . 1 . . . A 71 ARG HA . 25459 1 648 . 1 1 80 80 ARG HB2 H 1 2.350 . . 2 . . . A 71 ARG HB2 . 25459 1 649 . 1 1 80 80 ARG HB3 H 1 2.040 . . 2 . . . A 71 ARG HB3 . 25459 1 650 . 1 1 80 80 ARG HG2 H 1 1.322 . . 2 . . . A 71 ARG HG2 . 25459 1 651 . 1 1 80 80 ARG HG3 H 1 1.429 . . 2 . . . A 71 ARG HG3 . 25459 1 652 . 1 1 80 80 ARG HD2 H 1 1.661 . . 2 . . . A 71 ARG HD2 . 25459 1 653 . 1 1 80 80 ARG HE H 1 3.010 . . 1 . . . A 71 ARG HE2 . 25459 1 654 . 1 1 80 80 ARG C C 13 176.13 . . 1 . . . A 71 ARG C . 25459 1 655 . 1 1 80 80 ARG CA C 13 58.54 . . 1 . . . A 71 ARG CA . 25459 1 656 . 1 1 80 80 ARG CB C 13 26.53 . . 1 . . . A 71 ARG CB . 25459 1 657 . 1 1 80 80 ARG N N 15 111.52 . . 1 . . . A 71 ARG N . 25459 1 658 . 1 1 81 81 SER H H 1 8.224 . . 1 . . . A 72 SER H . 25459 1 659 . 1 1 81 81 SER HA H 1 4.725 . . 1 . . . A 72 SER HA . 25459 1 660 . 1 1 81 81 SER HB2 H 1 3.822 . . 2 . . . A 72 SER HB2 . 25459 1 661 . 1 1 81 81 SER C C 13 172.22 . . 1 . . . A 72 SER C . 25459 1 662 . 1 1 81 81 SER CA C 13 59.36 . . 1 . . . A 72 SER CA . 25459 1 663 . 1 1 81 81 SER CB C 13 63.97 . . 1 . . . A 72 SER CB . 25459 1 664 . 1 1 81 81 SER N N 15 117.21 . . 1 . . . A 72 SER N . 25459 1 665 . 1 1 82 82 VAL H H 1 8.652 . . 1 . . . A 73 VAL H . 25459 1 666 . 1 1 82 82 VAL HA H 1 4.897 . . 1 . . . A 73 VAL HA . 25459 1 667 . 1 1 82 82 VAL HB H 1 1.846 . . 1 . . . A 73 VAL HB . 25459 1 668 . 1 1 82 82 VAL HG11 H 1 0.876 . . 2 . . . A 73 VAL HG11 . 25459 1 669 . 1 1 82 82 VAL HG12 H 1 0.876 . . 2 . . . A 73 VAL HG12 . 25459 1 670 . 1 1 82 82 VAL HG13 H 1 0.876 . . 2 . . . A 73 VAL HG13 . 25459 1 671 . 1 1 82 82 VAL HG21 H 1 0.783 . . 2 . . . A 73 VAL HG21 . 25459 1 672 . 1 1 82 82 VAL HG22 H 1 0.783 . . 2 . . . A 73 VAL HG22 . 25459 1 673 . 1 1 82 82 VAL HG23 H 1 0.783 . . 2 . . . A 73 VAL HG23 . 25459 1 674 . 1 1 82 82 VAL C C 13 176.11 . . 1 . . . A 73 VAL C . 25459 1 675 . 1 1 82 82 VAL CA C 13 61.03 . . 1 . . . A 73 VAL CA . 25459 1 676 . 1 1 82 82 VAL CB C 13 35.23 . . 1 . . . A 73 VAL CB . 25459 1 677 . 1 1 82 82 VAL N N 15 119.69 . . 1 . . . A 73 VAL N . 25459 1 678 . 1 1 83 83 LEU H H 1 9.384 . . 1 . . . A 74 LEU H . 25459 1 679 . 1 1 83 83 LEU HA H 1 5.653 . . 1 . . . A 74 LEU HA . 25459 1 680 . 1 1 83 83 LEU HB2 H 1 1.893 . . 2 . . . A 74 LEU HB2 . 25459 1 681 . 1 1 83 83 LEU HB3 H 1 0.950 . . 2 . . . A 74 LEU HB3 . 25459 1 682 . 1 1 83 83 LEU HG H 1 1.556 . . 1 . . . A 74 LEU HG . 25459 1 683 . 1 1 83 83 LEU HD11 H 1 0.655 . . 2 . . . A 74 LEU HD11 . 25459 1 684 . 1 1 83 83 LEU HD12 H 1 0.655 . . 2 . . . A 74 LEU HD12 . 25459 1 685 . 1 1 83 83 LEU HD13 H 1 0.655 . . 2 . . . A 74 LEU HD13 . 25459 1 686 . 1 1 83 83 LEU HD21 H 1 0.773 . . 2 . . . A 74 LEU HD21 . 25459 1 687 . 1 1 83 83 LEU HD22 H 1 0.773 . . 2 . . . A 74 LEU HD22 . 25459 1 688 . 1 1 83 83 LEU HD23 H 1 0.773 . . 2 . . . A 74 LEU HD23 . 25459 1 689 . 1 1 83 83 LEU C C 13 176.93 . . 1 . . . A 74 LEU C . 25459 1 690 . 1 1 83 83 LEU CA C 13 52.90 . . 1 . . . A 74 LEU CA . 25459 1 691 . 1 1 83 83 LEU CB C 13 45.12 . . 1 . . . A 74 LEU CB . 25459 1 692 . 1 1 83 83 LEU N N 15 125.70 . . 1 . . . A 74 LEU N . 25459 1 693 . 1 1 84 84 SER H H 1 8.779 . . 1 . . . A 75 SER H . 25459 1 694 . 1 1 84 84 SER HA H 1 4.643 . . 1 . . . A 75 SER HA . 25459 1 695 . 1 1 84 84 SER HB2 H 1 3.881 . . 2 . . . A 75 SER HB2 . 25459 1 696 . 1 1 84 84 SER HB3 H 1 3.820 . . 2 . . . A 75 SER HB3 . 25459 1 697 . 1 1 84 84 SER C C 13 173.86 . . 1 . . . A 75 SER C . 25459 1 698 . 1 1 84 84 SER CA C 13 56.87 . . 1 . . . A 75 SER CA . 25459 1 699 . 1 1 84 84 SER CB C 13 65.77 . . 1 . . . A 75 SER CB . 25459 1 700 . 1 1 84 84 SER N N 15 113.95 . . 1 . . . A 75 SER N . 25459 1 701 . 1 1 85 85 GLY H H 1 8.964 . . 1 . . . A 76 GLY H . 25459 1 702 . 1 1 85 85 GLY HA2 H 1 5.510 . . 2 . . . A 76 GLY HA2 . 25459 1 703 . 1 1 85 85 GLY HA3 H 1 4.300 . . 2 . . . A 76 GLY HA3 . 25459 1 704 . 1 1 85 85 GLY C C 13 172.91 . . 1 . . . A 76 GLY C . 25459 1 705 . 1 1 85 85 GLY CA C 13 45.23 . . 1 . . . A 76 GLY CA . 25459 1 706 . 1 1 85 85 GLY N N 15 112.19 . . 1 . . . A 76 GLY N . 25459 1 707 . 1 1 86 86 ASP H H 1 8.510 . . 1 . . . A 77 ASP H . 25459 1 708 . 1 1 86 86 ASP HA H 1 4.657 . . 1 . . . A 77 ASP HA . 25459 1 709 . 1 1 86 86 ASP HB2 H 1 2.693 . . 2 . . . A 77 ASP HB2 . 25459 1 710 . 1 1 86 86 ASP HB3 H 1 2.882 . . 2 . . . A 77 ASP HB3 . 25459 1 711 . 1 1 86 86 ASP C C 13 175.28 . . 1 . . . A 77 ASP C . 25459 1 712 . 1 1 86 86 ASP CA C 13 52.13 . . 1 . . . A 77 ASP CA . 25459 1 713 . 1 1 86 86 ASP CB C 13 44.44 . . 1 . . . A 77 ASP CB . 25459 1 714 . 1 1 86 86 ASP N N 15 117.99 . . 1 . . . A 77 ASP N . 25459 1 715 . 1 1 87 87 PHE H H 1 9.561 . . 1 . . . A 78 PHE H . 25459 1 716 . 1 1 87 87 PHE HA H 1 5.148 . . 1 . . . A 78 PHE HA . 25459 1 717 . 1 1 87 87 PHE HB2 H 1 3.383 . . 2 . . . A 78 PHE HB2 . 25459 1 718 . 1 1 87 87 PHE HB3 H 1 2.742 . . 2 . . . A 78 PHE HB3 . 25459 1 719 . 1 1 87 87 PHE HD2 H 1 7.373 . . 3 . . . A 78 PHE HD2 . 25459 1 720 . 1 1 87 87 PHE HE2 H 1 7.241 . . 3 . . . A 78 PHE HE2 . 25459 1 721 . 1 1 87 87 PHE HZ H 1 7.216 . . 1 . . . A 78 PHE HZ . 25459 1 722 . 1 1 87 87 PHE C C 13 178.58 . . 1 . . . A 78 PHE C . 25459 1 723 . 1 1 87 87 PHE CA C 13 58.36 . . 1 . . . A 78 PHE CA . 25459 1 724 . 1 1 87 87 PHE CB C 13 40.10 . . 1 . . . A 78 PHE CB . 25459 1 725 . 1 1 87 87 PHE N N 15 121.60 . . 1 . . . A 78 PHE N . 25459 1 726 . 1 1 88 88 THR H H 1 9.131 . . 1 . . . A 79 THR H . 25459 1 727 . 1 1 88 88 THR HA H 1 3.844 . . 1 . . . A 79 THR HA . 25459 1 728 . 1 1 88 88 THR HB H 1 4.066 . . 1 . . . A 79 THR HB . 25459 1 729 . 1 1 88 88 THR HG21 H 1 1.031 . . 1 . . . A 79 THR HG21 . 25459 1 730 . 1 1 88 88 THR HG22 H 1 1.031 . . 1 . . . A 79 THR HG22 . 25459 1 731 . 1 1 88 88 THR HG23 H 1 1.031 . . 1 . . . A 79 THR HG23 . 25459 1 732 . 1 1 88 88 THR C C 13 176.65 . . 1 . . . A 79 THR C . 25459 1 733 . 1 1 88 88 THR CA C 13 65.31 . . 1 . . . A 79 THR CA . 25459 1 734 . 1 1 88 88 THR CB C 13 68.77 . . 1 . . . A 79 THR CB . 25459 1 735 . 1 1 88 88 THR N N 15 121.41 . . 1 . . . A 79 THR N . 25459 1 736 . 1 1 89 89 SER H H 1 8.374 . . 1 . . . A 80 SER H . 25459 1 737 . 1 1 89 89 SER HA H 1 4.296 . . 1 . . . A 80 SER HA . 25459 1 738 . 1 1 89 89 SER HB2 H 1 3.838 . . 2 . . . A 80 SER HB2 . 25459 1 739 . 1 1 89 89 SER HB3 H 1 3.914 . . 2 . . . A 80 SER HB3 . 25459 1 740 . 1 1 89 89 SER C C 13 175.28 . . 1 . . . A 80 SER C . 25459 1 741 . 1 1 89 89 SER CA C 13 59.64 . . 1 . . . A 80 SER CA . 25459 1 742 . 1 1 89 89 SER CB C 13 63.09 . . 1 . . . A 80 SER CB . 25459 1 743 . 1 1 89 89 SER N N 15 114.95 . . 1 . . . A 80 SER N . 25459 1 744 . 1 1 90 90 ALA H H 1 7.915 . . 1 . . . A 81 ALA H . 25459 1 745 . 1 1 90 90 ALA HA H 1 4.212 . . 1 . . . A 81 ALA HA . 25459 1 746 . 1 1 90 90 ALA HB1 H 1 1.303 . . 1 . . . A 81 ALA HB1 . 25459 1 747 . 1 1 90 90 ALA HB2 H 1 1.303 . . 1 . . . A 81 ALA HB2 . 25459 1 748 . 1 1 90 90 ALA HB3 H 1 1.303 . . 1 . . . A 81 ALA HB3 . 25459 1 749 . 1 1 90 90 ALA C C 13 178.24 . . 1 . . . A 81 ALA C . 25459 1 750 . 1 1 90 90 ALA CA C 13 53.23 . . 1 . . . A 81 ALA CA . 25459 1 751 . 1 1 90 90 ALA CB C 13 18.70 . . 1 . . . A 81 ALA CB . 25459 1 752 . 1 1 90 90 ALA N N 15 124.73 . . 1 . . . A 81 ALA N . 25459 1 753 . 1 1 91 91 TYR H H 1 7.761 . . 1 . . . A 82 TYR H . 25459 1 754 . 1 1 91 91 TYR HA H 1 4.391 . . 1 . . . A 82 TYR HA . 25459 1 755 . 1 1 91 91 TYR HB2 H 1 2.960 . . 2 . . . A 82 TYR HB2 . 25459 1 756 . 1 1 91 91 TYR HB3 H 1 2.804 . . 2 . . . A 82 TYR HB3 . 25459 1 757 . 1 1 91 91 TYR HD2 H 1 7.003 . . 3 . . . A 82 TYR HD2 . 25459 1 758 . 1 1 91 91 TYR HE2 H 1 6.687 . . 3 . . . A 82 TYR HE2 . 25459 1 759 . 1 1 91 91 TYR C C 13 175.84 . . 1 . . . A 82 TYR C . 25459 1 760 . 1 1 91 91 TYR CA C 13 58.41 . . 1 . . . A 82 TYR CA . 25459 1 761 . 1 1 91 91 TYR CB C 13 38.88 . . 1 . . . A 82 TYR CB . 25459 1 762 . 1 1 91 91 TYR N N 15 118.21 . . 1 . . . A 82 TYR N . 25459 1 763 . 1 1 92 92 ALA H H 1 7.758 . . 1 . . . A 83 ALA H . 25459 1 764 . 1 1 92 92 ALA HA H 1 4.229 . . 1 . . . A 83 ALA HA . 25459 1 765 . 1 1 92 92 ALA HB1 H 1 1.280 . . 1 . . . A 83 ALA HB1 . 25459 1 766 . 1 1 92 92 ALA HB2 H 1 1.280 . . 1 . . . A 83 ALA HB2 . 25459 1 767 . 1 1 92 92 ALA HB3 H 1 1.280 . . 1 . . . A 83 ALA HB3 . 25459 1 768 . 1 1 92 92 ALA C C 13 177.31 . . 1 . . . A 83 ALA C . 25459 1 769 . 1 1 92 92 ALA CA C 13 52.31 . . 1 . . . A 83 ALA CA . 25459 1 770 . 1 1 92 92 ALA CB C 13 19.65 . . 1 . . . A 83 ALA CB . 25459 1 771 . 1 1 92 92 ALA N N 15 124.17 . . 1 . . . A 83 ALA N . 25459 1 772 . 1 1 93 93 ASP H H 1 8.095 . . 1 . . . A 84 ASP H . 25459 1 773 . 1 1 93 93 ASP HA H 1 4.580 . . 1 . . . A 84 ASP HA . 25459 1 774 . 1 1 93 93 ASP HB2 H 1 2.706 . . 2 . . . A 84 ASP HB2 . 25459 1 775 . 1 1 93 93 ASP HB3 H 1 2.564 . . 2 . . . A 84 ASP HB3 . 25459 1 776 . 1 1 93 93 ASP C C 13 176.44 . . 1 . . . A 84 ASP C . 25459 1 777 . 1 1 93 93 ASP CA C 13 54.28 . . 1 . . . A 84 ASP CA . 25459 1 778 . 1 1 93 93 ASP CB C 13 41.36 . . 1 . . . A 84 ASP CB . 25459 1 779 . 1 1 93 93 ASP N N 15 119.93 . . 1 . . . A 84 ASP N . 25459 1 780 . 1 1 94 94 ASP H H 1 8.211 . . 1 . . . A 85 ASP H . 25459 1 781 . 1 1 94 94 ASP HA H 1 4.599 . . 1 . . . A 85 ASP HA . 25459 1 782 . 1 1 94 94 ASP HB2 H 1 2.689 . . 2 . . . A 85 ASP HB2 . 25459 1 783 . 1 1 94 94 ASP HB3 H 1 2.613 . . 2 . . . A 85 ASP HB3 . 25459 1 784 . 1 1 94 94 ASP C C 13 176.47 . . 1 . . . A 85 ASP C . 25459 1 785 . 1 1 94 94 ASP CA C 13 54.28 . . 1 . . . A 85 ASP CA . 25459 1 786 . 1 1 94 94 ASP CB C 13 41.34 . . 1 . . . A 85 ASP CB . 25459 1 787 . 1 1 94 94 ASP N N 15 120.68 . . 1 . . . A 85 ASP N . 25459 1 788 . 1 1 95 95 ASP H H 1 8.284 . . 1 . . . A 86 ASP H . 25459 1 789 . 1 1 95 95 ASP HA H 1 4.602 . . 1 . . . A 86 ASP HA . 25459 1 790 . 1 1 95 95 ASP HB2 H 1 2.719 . . 2 . . . A 86 ASP HB2 . 25459 1 791 . 1 1 95 95 ASP HB3 H 1 2.641 . . 2 . . . A 86 ASP HB3 . 25459 1 792 . 1 1 95 95 ASP C C 13 176.96 . . 1 . . . A 86 ASP C . 25459 1 793 . 1 1 95 95 ASP CA C 13 54.54 . . 1 . . . A 86 ASP CA . 25459 1 794 . 1 1 95 95 ASP CB C 13 41.30 . . 1 . . . A 86 ASP CB . 25459 1 795 . 1 1 95 95 ASP N N 15 120.94 . . 1 . . . A 86 ASP N . 25459 1 796 . 1 1 96 96 GLU H H 1 8.341 . . 1 . . . A 87 GLU H . 25459 1 797 . 1 1 96 96 GLU HA H 1 4.329 . . 1 . . . A 87 GLU HA . 25459 1 798 . 1 1 96 96 GLU HB2 H 1 2.112 . . 2 . . . A 87 GLU HB2 . 25459 1 799 . 1 1 96 96 GLU HB3 H 1 1.957 . . 2 . . . A 87 GLU HB3 . 25459 1 800 . 1 1 96 96 GLU C C 13 177.11 . . 1 . . . A 87 GLU C . 25459 1 801 . 1 1 96 96 GLU CA C 13 56.74 . . 1 . . . A 87 GLU CA . 25459 1 802 . 1 1 96 96 GLU CB C 13 30.01 . . 1 . . . A 87 GLU CB . 25459 1 803 . 1 1 96 96 GLU N N 15 121.20 . . 1 . . . A 87 GLU N . 25459 1 804 . 1 1 97 97 SER H H 1 8.331 . . 1 . . . A 88 SER H . 25459 1 805 . 1 1 97 97 SER HA H 1 4.467 . . 1 . . . A 88 SER HA . 25459 1 806 . 1 1 97 97 SER HB2 H 1 3.892 . . 2 . . . A 88 SER HB2 . 25459 1 807 . 1 1 97 97 SER C C 13 174.20 . . 1 . . . A 88 SER C . 25459 1 808 . 1 1 97 97 SER CA C 13 58.59 . . 1 . . . A 88 SER CA . 25459 1 809 . 1 1 97 97 SER CB C 13 63.93 . . 1 . . . A 88 SER CB . 25459 1 810 . 1 1 97 97 SER N N 15 117.10 . . 1 . . . A 88 SER N . 25459 1 811 . 1 1 98 98 CYS H H 1 7.943 . . 1 . . . A 89 CYS H . 25459 1 812 . 1 1 98 98 CYS HA H 1 4.393 . . 1 . . . A 89 CYS HA . 25459 1 813 . 1 1 98 98 CYS HB2 H 1 2.923 . . 2 . . . A 89 CYS HB2 . 25459 1 814 . 1 1 98 98 CYS C C 13 179.20 . . 1 . . . A 89 CYS C . 25459 1 815 . 1 1 98 98 CYS CA C 13 59.58 . . 1 . . . A 89 CYS CA . 25459 1 816 . 1 1 98 98 CYS CB C 13 28.76 . . 1 . . . A 89 CYS CB . 25459 1 817 . 1 1 98 98 CYS N N 15 125.01 . . 1 . . . A 89 CYS N . 25459 1 stop_ save_